From 60c7f745b9b71f08394f3807afc52f56f8b46055 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 27 Sep 2006 19:51:49 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
tools/Makefile | 43 +
tools/README | 41 +
tools/amber2lmp/README | 95 +
tools/amber2lmp/amber2lammps.py | 993 +
tools/amber2lmp/dump2trj.py | 306 +
tools/amber2lmp/dump2trj99.py | 277 +
tools/binary2txt.cpp | 122 +
tools/ch2lmp/README | 130 +
tools/ch2lmp/charmm2lammps.pl | 1454 ++
tools/ch2lmp/example/1ac7.data | 7207 ++++++++
tools/ch2lmp/example/1ac7.dump | 5931 ++++++
tools/ch2lmp/example/1ac7.in | 31 +
tools/ch2lmp/example/1ac7.pdb | 529 +
tools/ch2lmp/example/1ac7.pdb1 | 5159 ++++++
tools/ch2lmp/example/1ac7.pgn | 81 +
tools/ch2lmp/example/1ac7.psf | 1872 ++
tools/ch2lmp/example/1ac7_ctrl.pdb | 1973 ++
tools/ch2lmp/example/1ac7_ctrl.psf | 3630 ++++
tools/ch2lmp/example/1ac7_pared.pdb | 540 +
tools/ch2lmp/example/1ac7_trj.pdb | 1973 ++
tools/ch2lmp/example/1ac7_trj.psf | 1 +
tools/ch2lmp/example/par_all27_na.prm | 1654 ++
tools/ch2lmp/example/top_all27_na.rtf | 939 +
tools/ch2lmp/lammps2pdb.pl | 1042 ++
tools/ch2lmp/main_manual | 12 +
tools/ch2lmp/other/crd2pdb.pl | 35 +
tools/ch2lmp/other/in_mkdcd | 10 +
tools/ch2lmp/other/in_mkpdb | 9 +
tools/ch2lmp/other/mkdcd.f | 322 +
tools/ch2lmp/other/mkdcd_f77.f | 352 +
tools/ch2lmp/other/mkpdb.f | 469 +
tools/ch2lmp/other/pdb_to_crd.f | 98 +
tools/chain.f | 321 +
tools/data2xmovie.c | 366 +
tools/def.chain | 13 +
tools/def.chain.ab | 20 +
tools/def.micelle2d | 9 +
tools/lmp2arc/README | 136 +
tools/lmp2arc/src/Makefile | 18 +
tools/lmp2arc/src/ProcessPosFile01.c | 159 +
tools/lmp2arc/src/ProcessPosFile05.c | 157 +
tools/lmp2arc/src/ReadCarFile.c | 119 +
tools/lmp2arc/src/WriteArcFrame.c | 63 +
tools/lmp2arc/src/lmp2.h | 72 +
tools/lmp2arc/src/lmp2arc.c | 265 +
tools/lmp2arc/src/lmp2arc.doc | 94 +
tools/lmp2arc/src/unwrap_molecules.c | 105 +
tools/lmp2arc/test/correct/water8.arc | 398 +
.../lmp2arc/test/correct/water8.arc.trueflags | 398 +
tools/lmp2arc/test/correct/water8.arc.unwrap | 398 +
tools/lmp2arc/test/water8.arc | 398 +
tools/lmp2arc/test/water8.arc.trueflags | 398 +
tools/lmp2arc/test/water8.car | 39 +
tools/lmp2arc/test/water8.pos | 303 +
tools/lmp2arc/test/water8_unwrap.arc | 398 +
tools/lmp2cfg/README.txt | 66 +
tools/lmp2cfg/examples/00001.cfg | 2939 +++
tools/lmp2cfg/examples/00002.cfg | 2939 +++
tools/lmp2cfg/examples/dump.atom | 8721 +++++++++
tools/lmp2cfg/examples/lmp2cfg_inp.txt | 25 +
tools/lmp2cfg/lmp2cfg.f | 185 +
tools/lmp2traj/README.txt | 78 +
tools/lmp2traj/examples/dump.atom | 15147 ++++++++++++++++
tools/lmp2traj/examples/lmp2traj_inp.txt | 26 +
tools/lmp2traj/examples/output/dump-ang.txt | 6002 ++++++
tools/lmp2traj/examples/output/dump-out.txt | Bin 0 -> 91792 bytes
tools/lmp2traj/examples/output/dump-srf.txt | 2510 +++
tools/lmp2traj/lmp2traj.f | 449 +
tools/micelle2d.f | 233 +
tools/msi2lmp/README | 132 +
tools/msi2lmp/biosym_frc_files/README | 5 +
tools/msi2lmp/biosym_frc_files/cff91.frc | 4758 +++++
tools/msi2lmp/biosym_frc_files/cvff.frc | 4716 +++++
tools/msi2lmp/biosym_frc_files/cvff_aug.frc | 5180 ++++++
tools/msi2lmp/biosym_frc_files/pcff.frc | 5581 ++++++
tools/msi2lmp/biosym_frc_files/pcff.rlb | 2 +
.../biosym_frc_files/pcff_templates.dat | 1927 ++
tools/msi2lmp/src/CheckLists.c | 41 +
tools/msi2lmp/src/Forcefield.h | 47 +
tools/msi2lmp/src/GetParameters.c | 1323 ++
tools/msi2lmp/src/InitializeItems.c | 125 +
tools/msi2lmp/src/MakeLists.c | 783 +
tools/msi2lmp/src/Makefile | 37 +
tools/msi2lmp/src/Msi2LMP2.h | 209 +
tools/msi2lmp/src/ReadCarFile.c | 171 +
tools/msi2lmp/src/ReadFrcFile.c | 88 +
tools/msi2lmp/src/ReadMdfFile.c | 425 +
tools/msi2lmp/src/SearchAndFill.c | 218 +
tools/msi2lmp/src/WriteDataFile.c | 313 +
tools/msi2lmp/src/WriteDataFile01.c | 332 +
tools/msi2lmp/src/WriteDataFile05.c | 333 +
tools/msi2lmp/src/msi2lmp.c | 275 +
tools/msi2lmp/test/correct/data.crambin | 4727 +++++
tools/msi2lmp/test/correct/data.nylon | 898 +
tools/msi2lmp/test/correct/data.phen3_cff97 | 442 +
tools/msi2lmp/test/crambin.car | 649 +
tools/msi2lmp/test/crambin.mdf | 840 +
tools/msi2lmp/test/nylon.car | 124 +
tools/msi2lmp/test/nylon.mdf | 142 +
tools/msi2lmp/test/phen3_cff97.car | 29 +
tools/msi2lmp/test/phen3_cff97.mdf | 57 +
tools/msi2lmp/test/test.input | 27 +
tools/replicate.c | 861 +
tools/restart2data.cpp | 1947 ++
tools/xmovie/Makefile | 63 +
tools/xmovie/README | 51 +
tools/xmovie/Xdefaults | 51 +
tools/xmovie/control.c | 1340 ++
tools/xmovie/dummy.c | 63 +
tools/xmovie/dummy.dat | 8004 ++++++++
tools/xmovie/hpsort.c | 43 +
tools/xmovie/read.c | 1238 ++
tools/xmovie/resource.h | 244 +
tools/xmovie/scene.c | 673 +
tools/xmovie/toascii.c | 425 +
tools/xmovie/tobinary.c | 525 +
tools/xmovie/version.c | 15 +
tools/xmovie/xmovie.c | 282 +
tools/xmovie/xmovie.h | 161 +
119 files changed, 132239 insertions(+)
create mode 100644 tools/Makefile
create mode 100644 tools/README
create mode 100644 tools/amber2lmp/README
create mode 100644 tools/amber2lmp/amber2lammps.py
create mode 100644 tools/amber2lmp/dump2trj.py
create mode 100755 tools/amber2lmp/dump2trj99.py
create mode 100644 tools/binary2txt.cpp
create mode 100755 tools/ch2lmp/README
create mode 100644 tools/ch2lmp/charmm2lammps.pl
create mode 100644 tools/ch2lmp/example/1ac7.data
create mode 100644 tools/ch2lmp/example/1ac7.dump
create mode 100644 tools/ch2lmp/example/1ac7.in
create mode 100755 tools/ch2lmp/example/1ac7.pdb
create mode 100755 tools/ch2lmp/example/1ac7.pdb1
create mode 100755 tools/ch2lmp/example/1ac7.pgn
create mode 100755 tools/ch2lmp/example/1ac7.psf
create mode 100644 tools/ch2lmp/example/1ac7_ctrl.pdb
create mode 100644 tools/ch2lmp/example/1ac7_ctrl.psf
create mode 100755 tools/ch2lmp/example/1ac7_pared.pdb
create mode 100644 tools/ch2lmp/example/1ac7_trj.pdb
create mode 120000 tools/ch2lmp/example/1ac7_trj.psf
create mode 100755 tools/ch2lmp/example/par_all27_na.prm
create mode 100755 tools/ch2lmp/example/top_all27_na.rtf
create mode 100644 tools/ch2lmp/lammps2pdb.pl
create mode 100644 tools/ch2lmp/main_manual
create mode 100755 tools/ch2lmp/other/crd2pdb.pl
create mode 100644 tools/ch2lmp/other/in_mkdcd
create mode 100755 tools/ch2lmp/other/in_mkpdb
create mode 100644 tools/ch2lmp/other/mkdcd.f
create mode 100644 tools/ch2lmp/other/mkdcd_f77.f
create mode 100644 tools/ch2lmp/other/mkpdb.f
create mode 100644 tools/ch2lmp/other/pdb_to_crd.f
create mode 100644 tools/chain.f
create mode 100644 tools/data2xmovie.c
create mode 100644 tools/def.chain
create mode 100644 tools/def.chain.ab
create mode 100644 tools/def.micelle2d
create mode 100644 tools/lmp2arc/README
create mode 100644 tools/lmp2arc/src/Makefile
create mode 100644 tools/lmp2arc/src/ProcessPosFile01.c
create mode 100644 tools/lmp2arc/src/ProcessPosFile05.c
create mode 100644 tools/lmp2arc/src/ReadCarFile.c
create mode 100644 tools/lmp2arc/src/WriteArcFrame.c
create mode 100644 tools/lmp2arc/src/lmp2.h
create mode 100644 tools/lmp2arc/src/lmp2arc.c
create mode 100644 tools/lmp2arc/src/lmp2arc.doc
create mode 100644 tools/lmp2arc/src/unwrap_molecules.c
create mode 100644 tools/lmp2arc/test/correct/water8.arc
create mode 100644 tools/lmp2arc/test/correct/water8.arc.trueflags
create mode 100644 tools/lmp2arc/test/correct/water8.arc.unwrap
create mode 100644 tools/lmp2arc/test/water8.arc
create mode 100644 tools/lmp2arc/test/water8.arc.trueflags
create mode 100644 tools/lmp2arc/test/water8.car
create mode 100644 tools/lmp2arc/test/water8.pos
create mode 100644 tools/lmp2arc/test/water8_unwrap.arc
create mode 100755 tools/lmp2cfg/README.txt
create mode 100644 tools/lmp2cfg/examples/00001.cfg
create mode 100644 tools/lmp2cfg/examples/00002.cfg
create mode 100755 tools/lmp2cfg/examples/dump.atom
create mode 100755 tools/lmp2cfg/examples/lmp2cfg_inp.txt
create mode 100755 tools/lmp2cfg/lmp2cfg.f
create mode 100755 tools/lmp2traj/README.txt
create mode 100644 tools/lmp2traj/examples/dump.atom
create mode 100644 tools/lmp2traj/examples/lmp2traj_inp.txt
create mode 100644 tools/lmp2traj/examples/output/dump-ang.txt
create mode 100644 tools/lmp2traj/examples/output/dump-out.txt
create mode 100644 tools/lmp2traj/examples/output/dump-srf.txt
create mode 100644 tools/lmp2traj/lmp2traj.f
create mode 100644 tools/micelle2d.f
create mode 100644 tools/msi2lmp/README
create mode 100644 tools/msi2lmp/biosym_frc_files/README
create mode 100644 tools/msi2lmp/biosym_frc_files/cff91.frc
create mode 100644 tools/msi2lmp/biosym_frc_files/cvff.frc
create mode 100644 tools/msi2lmp/biosym_frc_files/cvff_aug.frc
create mode 100644 tools/msi2lmp/biosym_frc_files/pcff.frc
create mode 100644 tools/msi2lmp/biosym_frc_files/pcff.rlb
create mode 100644 tools/msi2lmp/biosym_frc_files/pcff_templates.dat
create mode 100644 tools/msi2lmp/src/CheckLists.c
create mode 100644 tools/msi2lmp/src/Forcefield.h
create mode 100644 tools/msi2lmp/src/GetParameters.c
create mode 100644 tools/msi2lmp/src/InitializeItems.c
create mode 100644 tools/msi2lmp/src/MakeLists.c
create mode 100644 tools/msi2lmp/src/Makefile
create mode 100644 tools/msi2lmp/src/Msi2LMP2.h
create mode 100644 tools/msi2lmp/src/ReadCarFile.c
create mode 100644 tools/msi2lmp/src/ReadFrcFile.c
create mode 100644 tools/msi2lmp/src/ReadMdfFile.c
create mode 100644 tools/msi2lmp/src/SearchAndFill.c
create mode 100644 tools/msi2lmp/src/WriteDataFile.c
create mode 100644 tools/msi2lmp/src/WriteDataFile01.c
create mode 100644 tools/msi2lmp/src/WriteDataFile05.c
create mode 100644 tools/msi2lmp/src/msi2lmp.c
create mode 100644 tools/msi2lmp/test/correct/data.crambin
create mode 100644 tools/msi2lmp/test/correct/data.nylon
create mode 100644 tools/msi2lmp/test/correct/data.phen3_cff97
create mode 100644 tools/msi2lmp/test/crambin.car
create mode 100644 tools/msi2lmp/test/crambin.mdf
create mode 100644 tools/msi2lmp/test/nylon.car
create mode 100644 tools/msi2lmp/test/nylon.mdf
create mode 100644 tools/msi2lmp/test/phen3_cff97.car
create mode 100644 tools/msi2lmp/test/phen3_cff97.mdf
create mode 100644 tools/msi2lmp/test/test.input
create mode 100644 tools/replicate.c
create mode 100644 tools/restart2data.cpp
create mode 100755 tools/xmovie/Makefile
create mode 100644 tools/xmovie/README
create mode 100755 tools/xmovie/Xdefaults
create mode 100755 tools/xmovie/control.c
create mode 100755 tools/xmovie/dummy.c
create mode 100755 tools/xmovie/dummy.dat
create mode 100755 tools/xmovie/hpsort.c
create mode 100755 tools/xmovie/read.c
create mode 100755 tools/xmovie/resource.h
create mode 100755 tools/xmovie/scene.c
create mode 100755 tools/xmovie/toascii.c
create mode 100755 tools/xmovie/tobinary.c
create mode 100755 tools/xmovie/version.c
create mode 100755 tools/xmovie/xmovie.c
create mode 100755 tools/xmovie/xmovie.h
diff --git a/tools/Makefile b/tools/Makefile
new file mode 100644
index 0000000000..599184471b
--- /dev/null
+++ b/tools/Makefile
@@ -0,0 +1,43 @@
+# Makefile for serial tools
+
+#
+# Targets
+#
+
+all:
+ $(MAKE) binary2txt replicate restart2data chain micelle2d data2xmovie
+
+binary2txt: binary2txt.o
+ g++ -g binary2txt.o -o binary2txt
+
+replicate: replicate.o
+ g++ -g replicate.o -o replicate
+
+restart2data: restart2data.o
+ g++ -g restart2data.o -o restart2data
+
+chain: chain.o
+ ifort chain.o -o chain
+
+micelle2d: micelle2d.o
+ ifort micelle2d.o -o micelle2d
+
+data2xmovie: data2xmovie.o
+ g++ -g data2xmovie.o -o data2xmovie
+
+clean:
+ rm binary2txt replicate restart2data chain micelle2d data2xmovie
+ rm *.o
+
+#
+# Rules
+#
+
+.cpp.o:
+ g++ -g -c $<
+
+.c.o:
+ gcc -g -c $<
+
+.f.o:
+ ifort -O -w -c $<
diff --git a/tools/README b/tools/README
new file mode 100644
index 0000000000..ecccb7ef03
--- /dev/null
+++ b/tools/README
@@ -0,0 +1,41 @@
+LAMMPS pre- and post-processing tools
+
+This directory contains several stand-alone tools for creating LAMMPS
+input files and massaging LAMMPS output data. Instructions on how to
+use the tools are discussed in the Tools section of the LAMMPS
+documentation. The source files in this directory have additional
+comments that may be useful at the top of the code. The packages that
+reside in their own sub-directories have README files of their own
+that you want to look at.
+
+You will need to compile each of these tools if you wish to use them.
+Building LAMMPS itself (in the src dir) does not build these tools.
+
+These are the included tools:
+
+binary2txt convert a LAMMPS dump file from binary to ASCII text
+replicate replicate a LAMMPS data file in one or more dimensions
+restart2data convert a binary restart file to an input data file
+data2xmovie convert a data file to a snapshot that xmovie can viz
+chain create a data file of bead-spring chains
+micelle2d create a data file of small lipid chains in solvent
+
+xmovie a quick/simple viz package that displays 2d projections
+ of 3d LAMMPS snapshots
+
+amber2lammps python scripts for using AMBER to setup LAMMPS input
+ch2lmp convert CHARMM files to LAMMPS input
+lmp2arc convert LAMMPS output to Accelrys Insight format
+ for analysis
+lmp2cfg convert LAMMPS output to CFG files that can be
+ read by AtomEye visualizer
+lmp2traj convert LAMMPS output to contour, density profiles
+msi2lmp use the Accelrys Insight (nee MSI/Biosym Discover)
+ code to setup LAMMPS input
+
+The set of tools are single C, C++, or Fortran files. A Makefile for
+building them is included in this directory, but you will have to edit
+it for the compilers and paths on your system.
+
+The other tools are in their own sub-directories, and each has its own
+README file on how to build and use it.
diff --git a/tools/amber2lmp/README b/tools/amber2lmp/README
new file mode 100644
index 0000000000..cf43a171a6
--- /dev/null
+++ b/tools/amber2lmp/README
@@ -0,0 +1,95 @@
+These Python scripts were written originally by Keir Novik, but he can
+no longer support them. See some documentation at the top of the
+files - they are supposed to be fairly self-explanatory.
+
+amber2lammps.py converts AMBER files into LAMMPS input format
+dump2trj.py converts LAMMPS dump files into AMBER format
+dump2try99.py same as dump2trj for LAMMPS 99 format
+
+-------------------------
+
+Modifications in file amber2lammps.py, by Vikas Varshney
+Dated July 5, 2005
+Email address : vv5@uakron.edu
+
+Lines 222-226: Undid the shifting of the atoms in the periodic
+box. LAMMPS is going to take care of it by image atoms. Make sure that
+when you dump the coordinates by LAMMPS to view in VMD, print them in
+the format mentioned in the dump2ptraj.py section later.
+
+Lines 378-391: Added an if statement to see whether .crd or .top file
+is being read. This if statement helps in assigning the title if the
+title is not present in the files.
+
+Line 394: Added an if statement, not to read lines which start with
+% in the topology file.
+
+Lines 430-432: Changed if statement condition to read the current
+simulation time from .crd file. I put the remainder condition
+instead of equal to condition. The simulation time adds one value to
+the length of the Item_list, so remainder condition can be applied
+easily to see if simulation time data is present in the .crd file or
+not.
+
+In general, the initial .crd files dont have simulation time
+information while restart files do have them.
+
+Some other minor additions:
+
+I added few lines to print the names which are being read
+currently. This helps in seeing current state of the programs which
+are listed below
+
+Lines 382, 389, 420, 428, 436, 490, 498, 550, 555, 560, 565, 570, 575,
+580, 595, 600, 610, 615, 620, 631, 636, 648, 657, 666, 677, 688, 701,
+720, 725, 730, 735, 740, 745, 750, 755, 767, 769, 771, 778, 785, 806,
+821, 897.
+
+---------------------------
+
+Modifications in file dump2trj.py, by Vikas Varshney
+Dated July 5, 2005
+Email address: vv5@uakron.edu
+
+First, the atoms should be dumped in the following format.
+
+dump group-ID custom N tag type xs ys zs ix iy iz
+
+Modifications:
+
+Lines 117-119: I modified the lines to get the actual co-ordinates
+instead of box coordinates. If we dont do that and try to see the
+file in vmd, we observe long bond lengths of the molecules whose one
+part is on one side of periodic box and the other part is on other
+side of periodic box.
+
+Lines 239 & 244: Changed x to mdcrd.
+
+Once you do that. Open the original topology file in VMD (with parm7)
+and then mdcrd file (crdbox) to see the time evaluation of the
+problem.
+
+----------------------------
+
+Example input script, by Paul Crozier
+1 Sept 2005
+
+Here is an example of a typical LAMMPS input script for use with
+a data file built by amber2lammps.py:
+
+units real
+neigh_modify delay 5 every 1
+atom_style full
+bond_style harmonic
+angle_style harmonic
+dihedral_style harmonic
+pair_style lj/cut/coul/long 10.0
+pair_modify mix arithmetic
+kspace_style pppm 1e-4
+read_data data.yourdata
+fix 1 all nve
+special_bonds amber
+thermo 1
+thermo_style multi
+timestep 0.5
+run 2
diff --git a/tools/amber2lmp/amber2lammps.py b/tools/amber2lmp/amber2lammps.py
new file mode 100644
index 0000000000..d6d5d3700c
--- /dev/null
+++ b/tools/amber2lmp/amber2lammps.py
@@ -0,0 +1,993 @@
+#! /usr/bin/python
+
+#
+# This is amber2lammps, a program written by Keir E. Novik to convert
+# Amber files to Lammps files.
+#
+# Copyright 1999, 2000 Keir E. Novik; all rights reserved.
+#
+# Modified by Vikas Varshney, U Akron, 5 July 2005, as described in README
+#
+
+#============================================================
+
+def Pop(S, I=-1):
+ 'Pop item I from list'
+ X = S[I]
+ del S[I]
+ return X
+
+#============================================================
+
+class Lammps:
+
+ #--------------------------------------------------------
+
+ def Dump(self):
+ 'Write out contents of self (intended for debugging)'
+ Name_list = self.__dict__.keys()
+ Name_list.sort()
+ for Name in Name_list:
+ print Name + ':', self.__dict__[Name]
+
+ #--------------------------------------------------------
+
+ def Write_data(self, Basename, Item_list):
+ 'Write the Lammps data to file (used by Write_Lammps)'
+ import os, sys
+
+ Filename = 'data.' + Basename
+
+ Dir_list = os.listdir('.')
+ i = 1
+ while Filename in Dir_list:
+ Filename = 'data' + `i` + '.' + Basename
+ i = i +1
+ del i
+
+ print 'Writing', Filename + '...',
+ sys.stdout.flush()
+
+ try:
+ F = open(Filename, 'w')
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ return
+
+ try:
+ F.writelines(Item_list)
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return
+
+ F.close()
+ print 'done.'
+
+ #--------------------------------------------------------
+
+ def Write_Lammps(self, Basename):
+ 'Write the Lammps data file, ignoring blank sections'
+ import string
+ L = []
+
+ L.append('LAMMPS data file for ' + self.name + '\n\n')
+
+ L.append(`self.atoms` + ' atoms\n')
+ L.append(`self.bonds` + ' bonds\n')
+ L.append(`self.angles` + ' angles\n')
+ L.append(`self.dihedrals` + ' dihedrals\n')
+ L.append(`self.impropers` + ' impropers\n\n')
+
+ L.append(`self.atom_types` + ' atom types\n')
+ if self.bonds > 0:
+ L.append(`self.bond_types` + ' bond types\n')
+ if self.angles > 0:
+ L.append(`self.angle_types` + ' angle types\n')
+ if self.dihedrals > 0:
+ L.append(`self.dihedral_types` + ' dihedral types\n')
+ L.append('\n')
+
+ L.append(`self.xlo` + ' ' + `self.xhi` + ' xlo xhi\n')
+ L.append(`self.ylo` + ' ' + `self.yhi` + ' ylo yhi\n')
+ L.append(`self.zlo` + ' ' + `self.zhi` + ' zlo zhi\n\n')
+
+ if self.atom_types != 0:
+ L.append('Masses\n\n')
+ for i in range(self.atom_types):
+ L.append(`i+1` + ' ' + `self.Masses[i]` + '\n')
+ L.append('\n')
+
+ L.append('Pair Coeffs\n\n')
+ for i in range(self.atom_types):
+ L.append(`i+1`)
+ for j in range(len(self.Nonbond_Coeffs[0])):
+ L.append(' ' + `self.Nonbond_Coeffs[i][j]`)
+ L.append('\n')
+ L.append('\n')
+
+ if self.bonds != 0 and self.bond_types != 0:
+ L.append('Bond Coeffs\n\n')
+ for i in range(self.bond_types):
+ L.append(`i+1`)
+ for j in range(len(self.Bond_Coeffs[0])):
+ L.append(' ' + `self.Bond_Coeffs[i][j]`)
+ L.append('\n')
+ L.append('\n')
+
+ if self.angles != 0 and self.angle_types != 0:
+ L.append('Angle Coeffs\n\n')
+ for i in range(self.angle_types):
+ L.append(`i+1`)
+ for j in range(len(self.Angle_Coeffs[0])):
+ L.append(' ' + `self.Angle_Coeffs[i][j]`)
+ L.append('\n')
+ L.append('\n')
+
+ if self.dihedrals != 0 and self.dihedral_types != 0:
+ L.append('Dihedral Coeffs\n\n')
+ for i in range(self.dihedral_types):
+ L.append(`i+1`)
+ for j in range(len(self.Dihedral_Coeffs[0])):
+ L.append(' ' + `self.Dihedral_Coeffs[i][j]`)
+ L.append('\n')
+ L.append('\n')
+
+ if self.atoms != 0:
+ L.append('Atoms\n\n')
+ for i in range(self.atoms):
+ L.append(`i+1`)
+ for j in range(len(self.Atoms[0])):
+ L.append(' ' + `self.Atoms[i][j]`)
+ L.append('\n')
+ L.append('\n')
+
+ if self.bonds != 0 and self.bond_types != 0:
+ L.append('Bonds\n\n')
+ for i in range(self.bonds):
+ L.append(`i+1`)
+ for j in range(len(self.Bonds[0])):
+ L.append(' ' + `self.Bonds[i][j]`)
+ L.append('\n')
+ L.append('\n')
+
+ if self.angles != 0 and self.angle_types != 0:
+ L.append('Angles\n\n')
+ for i in range(self.angles):
+ L.append(`i+1`)
+ for j in range(len(self.Angles[0])):
+ L.append(' ' + `self.Angles[i][j]`)
+ L.append('\n')
+ L.append('\n')
+
+ if self.dihedrals != 0 and self.dihedral_types != 0:
+ L.append('Dihedrals\n\n')
+ for i in range(self.dihedrals):
+ L.append(`i+1`)
+ for j in range(len(self.Dihedrals[0])):
+ L.append(' ' + `self.Dihedrals[i][j]`)
+ L.append('\n')
+ L.append('\n')
+
+ self.Write_data(Basename, L)
+
+#============================================================
+
+class Amber:
+ def __init__(self):
+ 'Initialise the Amber class'
+ self.CRD_is_read = 0
+ self.TOP_is_read = 0
+
+ #--------------------------------------------------------
+
+ def Dump(self):
+ 'Write out contents of self (intended for debugging)'
+ Name_list = self.__dict__.keys()
+ Name_list.sort()
+ for Name in Name_list:
+ print Name + ':', self.__dict__[Name]
+
+ #--------------------------------------------------------
+
+ def Coerce_to_Lammps(self):
+ 'Return the Amber data converted to Lammps format'
+
+ import math
+
+ if self.CRD_is_read and self.TOP_is_read:
+ l = Lammps()
+ print 'Converting...',
+
+ l.name = self.ITITL
+ l.atoms = self.NATOM
+ l.bonds = self.NBONH + self.MBONA
+ l.angles = self.NTHETH + self.MTHETA
+ l.dihedrals = self.NPHIH + self.MPHIA
+ l.impropers = 0
+ l.atom_types = self.NTYPES
+ l.bond_types = self.NUMBND
+ l.angle_types = self.NUMANG
+ l.dihedral_types = self.NPTRA
+
+ Shift = 0
+ if self.__dict__.has_key('BOX'):
+ l.xlo = 0.0
+ l.xhi = self.BOX[0]
+ l.ylo = 0.0
+ l.yhi = self.BOX[1]
+ l.zlo = 0.0
+ l.zhi = self.BOX[2]
+ if (l.xlo > min(self.X)) or (l.xhi < max(self.X)) or \
+ (l.ylo > min(self.Y)) or (l.yhi < max(self.Y)) or \
+ (l.zlo > min(self.Z)) or (l.zhi < max(self.Z)):
+ # Vikas Modification: Disabling Shifting. This means I am intend to send exact coordinates of each atom and let LAMMPS
+ # take care of imaging into periodic image cells. If one wants to shift all atoms in the periodic box,
+ # please uncomment the below 2 lines.
+ print '(warning: Currently not shifting the atoms to the periodic box)'
+ #Shift = 1
+ else:
+ print '(warning: Guessing at periodic box!)',
+ l.xlo = min(self.X)
+ l.xhi = max(self.X)
+ l.ylo = min(self.Y)
+ l.yhi = max(self.Y)
+ l.zlo = min(self.Z)
+ l.zhi = max(self.Z)
+
+ # This doesn't check duplicate values
+ l.Masses = []
+ for i in range(l.atom_types):
+ l.Masses.append(0)
+ for i in range(self.NATOM):
+ l.Masses[self.IAC[i] - 1] = self.AMASS[i]
+
+ l.Nonbond_Coeffs = []
+ for i in range(self.NTYPES):
+ l.Nonbond_Coeffs.append([0,0])
+ for i in range(self.NTYPES):
+ j = self.ICO[i * (self.NTYPES + 1)] - 1
+ if self.CN1[j] == 0.0:
+ l.Nonbond_Coeffs[i][0] = 0.0
+ else:
+ l.Nonbond_Coeffs[i][0] = \
+ 0.25 * (self.CN2[j])**2 / self.CN1[j]
+ if self.CN2[j] == 0.0:
+ l.Nonbond_Coeffs[i][1] = 0.0
+ else:
+ l.Nonbond_Coeffs[i][1] = \
+ (self.CN1[j] / self.CN2[j])**(1.0/6.0)
+
+ l.Bond_Coeffs = []
+ for i in range(self.NUMBND):
+ l.Bond_Coeffs.append([0,0])
+ for i in range(self.NUMBND):
+ l.Bond_Coeffs[i][0] = self.RK[i]
+ l.Bond_Coeffs[i][1] = self.REQ[i]
+
+ l.Angle_Coeffs = []
+ for i in range(self.NUMANG):
+ l.Angle_Coeffs.append([0,0])
+ for i in range(self.NUMANG):
+ l.Angle_Coeffs[i][0] = self.TK[i]
+ l.Angle_Coeffs[i][1] = (180/math.pi) * self.TEQ[i]
+
+ l.Dihedral_Coeffs = []
+ for i in range(self.NPTRA):
+ l.Dihedral_Coeffs.append([0,0,0])
+ for i in range(self.NPTRA):
+ l.Dihedral_Coeffs[i][0] = self.PK[i]
+ if self.PHASE[i] == 0:
+ l.Dihedral_Coeffs[i][1] = 1
+ else:
+ l.Dihedral_Coeffs[i][1] = -1
+ l.Dihedral_Coeffs[i][2] = self.PN[i]
+
+ l.Atoms = []
+ for i in range(self.NATOM):
+ x = self.X[i]
+ y = self.Y[i]
+ z = self.Z[i]
+ if Shift:
+ while x < l.xlo:
+ x = x + self.BOX[0]
+ while x > l.xhi:
+ x = x - self.BOX[0]
+ while y < l.ylo:
+ y = y + self.BOX[1]
+ while y > l.yhi:
+ y = y - self.BOX[1]
+ while z < l.zlo:
+ z = z + self.BOX[2]
+ while z > l.zhi:
+ z = z - self.BOX[2]
+ l.Atoms.append([0, self.IAC[i], self.CHRG[i]/18.2223, \
+ x, y, z])
+
+ l.Bonds = []
+ for i in range(l.bonds):
+ l.Bonds.append([0,0,0])
+ for i in range(self.NBONH):
+ l.Bonds[i][0] = self.ICBH[i]
+ l.Bonds[i][1] = abs(self.IBH[i])/3 + 1
+ l.Bonds[i][2] = abs(self.JBH[i])/3 + 1
+ for i in range(self.NBONA):
+ l.Bonds[self.NBONH + i][0] = self.ICB[i]
+ l.Bonds[self.NBONH + i][1] = abs(self.IB[i])/3 + 1
+ l.Bonds[self.NBONH + i][2] = abs(self.JB[i])/3 + 1
+
+ l.Angles = []
+ for i in range(l.angles):
+ l.Angles.append([0,0,0,0])
+ for i in range(self.NTHETH):
+ l.Angles[i][0] = self.ICTH[i]
+ l.Angles[i][1] = abs(self.ITH[i])/3 + 1
+ l.Angles[i][2] = abs(self.JTH[i])/3 + 1
+ l.Angles[i][3] = abs(self.KTH[i])/3 + 1
+ for i in range(self.NTHETA):
+ l.Angles[self.NTHETH + i][0] = self.ICT[i]
+ l.Angles[self.NTHETH + i][1] = abs(self.IT[i])/3 + 1
+ l.Angles[self.NTHETH + i][2] = abs(self.JT[i])/3 + 1
+ l.Angles[self.NTHETH + i][3] = abs(self.KT[i])/3 + 1
+
+ l.Dihedrals = []
+ for i in range(l.dihedrals):
+ l.Dihedrals.append([0,0,0,0,0])
+ for i in range(self.NPHIH):
+ l.Dihedrals[i][0] = self.ICPH[i]
+ l.Dihedrals[i][1] = abs(self.IPH[i])/3 + 1
+ l.Dihedrals[i][2] = abs(self.JPH[i])/3 + 1
+ l.Dihedrals[i][3] = abs(self.KPH[i])/3 + 1
+ l.Dihedrals[i][4] = abs(self.LPH[i])/3 + 1
+ for i in range(self.NPHIA):
+ l.Dihedrals[self.NPHIH + i][0] = self.ICP[i]
+ l.Dihedrals[self.NPHIH + i][1] = abs(self.IP[i])/3 + 1
+ l.Dihedrals[self.NPHIH + i][2] = abs(self.JP[i])/3 + 1
+ l.Dihedrals[self.NPHIH + i][3] = abs(self.KP[i])/3 + 1
+ l.Dihedrals[self.NPHIH + i][4] = abs(self.LP[i])/3 + 1
+
+ print 'done.'
+ return l
+ else:
+ print '(Error: Not all the Amber data has been read!)'
+
+ #--------------------------------------------------------
+
+ def Read_data(self, Filename):
+ 'Read the filename, returning a list of strings'
+
+ import string, sys
+
+ print 'Reading', Filename + '...',
+ sys.stdout.flush()
+
+ try:
+ F = open(Filename)
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ return
+
+ try:
+ Lines = F.readlines()
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return
+
+ F.close()
+
+ # If the first line is empty, use the Basename
+ if Filename[-4:] == '.crd':
+ if string.split(Lines[0]) == []: # This line corresponds to TITLE name in CRD file
+ Basename = Filename[:string.find(Filename, '.')]
+ Item_list = [Basename]
+ print 'Warning: Title not present... Assigning Basename as Title'
+ else:
+ Item_list = []
+ else:
+ if string.split(Lines[3]) == []: # This line corresponds to TITLE name in TOPOLOGY file
+ Basename = Filename[:string.find(Filename, '.')]
+ Item_list = [Basename]
+ print 'Warning: Title not present... Assigning Basename as Title'
+ else:
+ Item_list = []
+
+ for Line in Lines:
+ if Line[0]!='%': #Vikas' Modification: This condition ignores all the lines starting with % in the topology file.
+ Item_list.extend(string.split(Line))
+
+ return Item_list
+
+ #--------------------------------------------------------
+
+ def Read_CRD(self, Basename):
+ 'Read the Amber coordinate/restart (.crd) file'
+
+ # The optional velocities and periodic box size are not yet parsed.
+
+ Item_list = self.Read_data(Basename + '.crd')
+
+ if Item_list == None:
+ return
+ elif len(Item_list) < 2:
+ print '(error: File too short!)'
+ return
+
+ # Parse the data
+ if self.__dict__.has_key('ITITL'):
+ if Pop(Item_list,0) != self.ITITL:
+ print '(warning: ITITL differs!)',
+ else:
+ self.ITITL = Pop(Item_list,0)
+ print self.ITITL #Vikas Modification : Priting the Title
+
+ if self.__dict__.has_key('NATOM'):
+ if eval(Pop(Item_list,0)) != self.NATOM:
+ print '(error: NATOM differs!)'
+ return
+ else:
+ self.NATOM = eval(Pop(Item_list,0))
+ print self.NATOM # Vikas' Modification: Printing number of atoms just to make sure that the program is reading the correct value.
+
+ #if len(Item_list) == 1 + 3 * self.NATOM:
+ # Vikas' Modification: I changed the condition.
+ if (len(Item_list)%3) != 0:
+ self.TIME = eval(Pop(Item_list,0))
+ else:
+ self.TIME = 0
+ print self.TIME # Vikas' Modification : Printing simulation time, just to make sure that the program is readint the correct value.
+ if len(Item_list) < 3 * self.NATOM:
+ print '(error: File too short!)'
+ return
+
+ self.X = []
+ self.Y = []
+ self.Z = []
+ for i in range(self.NATOM):
+ self.X.append(eval(Pop(Item_list,0)))
+ self.Y.append(eval(Pop(Item_list,0)))
+ self.Z.append(eval(Pop(Item_list,0)))
+
+ if (self.NATOM == 1) and len(Item_list):
+ print '(warning: Ambiguity!)',
+
+ if len(Item_list) >= 3 * self.NATOM:
+ self.VX = []
+ self.VY = []
+ self.VZ = []
+ for i in range(self.NATOM):
+ self.VX.append(eval(Pop(Item_list,0)))
+ self.VY.append(eval(Pop(Item_list,0)))
+ self.VZ.append(eval(Pop(Item_list,0)))
+
+ if len(Item_list) >= 3:
+ self.BOX = []
+ for i in range(3):
+ self.BOX.append(eval(Pop(Item_list,0)))
+
+ if len(Item_list):
+ print '(warning: File too large!)',
+
+ print 'done.'
+ self.CRD_is_read = 1
+
+ #--------------------------------------------------------
+
+ def Read_TOP(self, Basename):
+ 'Read the Amber parameter/topology (.top) file'
+ Item_list = self.Read_data(Basename + '.top')
+
+ if Item_list == None:
+ return
+ elif len(Item_list) < 31:
+ print '(error: File too short!)'
+ return
+
+ # Parse the data
+ if self.__dict__.has_key('ITITL'):
+ if Pop(Item_list,0) != self.ITITL:
+ print '(warning: ITITL differs!)'
+ else:
+ self.ITITL = Pop(Item_list,0)
+ print self.ITITL # Printing Self Title
+
+ if self.__dict__.has_key('NATOM'):
+ if eval(Pop(Item_list,0)) != self.NATOM:
+ print '(error: NATOM differs!)'
+ return
+ else:
+ self.NATOM = eval(Pop(Item_list,0))
+ print self.NATOM # Printing total number of atoms just to make sure that thing are going right
+ self.NTYPES = eval(Pop(Item_list,0))
+ self.NBONH = eval(Pop(Item_list,0))
+ self.MBONA = eval(Pop(Item_list,0))
+ self.NTHETH = eval(Pop(Item_list,0))
+ self.MTHETA = eval(Pop(Item_list,0))
+ self.NPHIH = eval(Pop(Item_list,0))
+ self.MPHIA = eval(Pop(Item_list,0))
+ self.NHPARM = eval(Pop(Item_list,0))
+ self.NPARM = eval(Pop(Item_list,0))
+ self.NEXT = eval(Pop(Item_list,0))
+ self.NRES = eval(Pop(Item_list,0))
+ self.NBONA = eval(Pop(Item_list,0))
+ self.NTHETA = eval(Pop(Item_list,0))
+ self.NPHIA = eval(Pop(Item_list,0))
+ self.NUMBND = eval(Pop(Item_list,0))
+ self.NUMANG = eval(Pop(Item_list,0))
+ self.NPTRA = eval(Pop(Item_list,0))
+ self.NATYP = eval(Pop(Item_list,0))
+ self.NPHB = eval(Pop(Item_list,0))
+ self.IFPERT = eval(Pop(Item_list,0))
+ self.NBPER = eval(Pop(Item_list,0))
+ self.NGPER = eval(Pop(Item_list,0))
+ self.NDPER = eval(Pop(Item_list,0))
+ self.MBPER = eval(Pop(Item_list,0))
+ self.MGPER = eval(Pop(Item_list,0))
+ self.MDPER = eval(Pop(Item_list,0))
+ self.IFBOX = eval(Pop(Item_list,0))
+ self.NMXRS = eval(Pop(Item_list,0))
+ self.IFCAP = eval(Pop(Item_list,0))
+
+ #....................................................
+
+ if len(Item_list) < 5 * self.NATOM + self.NTYPES**2 + \
+ 2*(self.NRES + self.NUMBND + self.NUMANG) + \
+ 3*self.NPTRA + self.NATYP:
+ print '(error: File too short!)'
+ return -1
+
+ self.IGRAPH = []
+ Pop(Item_list,0)
+
+ # A little kludge is needed here, since the IGRAPH strings are
+ # not separated by spaces if 4 characters in length.
+ for i in range(self.NATOM):
+ if len(Item_list[0]) > 4:
+ Item_list.insert(1, Item_list[0][4:])
+ Item_list.insert(1, Item_list[0][0:4])
+ del Item_list[0]
+ self.IGRAPH.append(Pop(Item_list,0))
+
+ # Vikas' Modification : In the following section, I am printing out each quantity which is currently being read from the topology file.
+ print 'Reading Charges...'
+ self.CHRG = []
+ for i in range(self.NATOM):
+ self.CHRG.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Atomic Masses...'
+ self.AMASS = []
+ for i in range(self.NATOM):
+ self.AMASS.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Atom Types...'
+ self.IAC = []
+ for i in range(self.NATOM):
+ self.IAC.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Excluded Atoms...'
+ self.NUMEX = []
+ for i in range(self.NATOM):
+ self.NUMEX.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Non-bonded Parameter Index...'
+ self.ICO = []
+ for i in range(self.NTYPES**2):
+ self.ICO.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Residue Labels...'
+ self.LABRES = []
+ for i in range(self.NRES):
+ self.LABRES.append(Pop(Item_list,0))
+
+ print 'Reading Residues Starting Pointers...'
+ self.IPRES = []
+ for i in range(self.NRES):
+ self.IPRES.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Bond Force Constants...'
+ self.RK = []
+ for i in range(self.NUMBND):
+ self.RK.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Equilibrium Bond Values...'
+ self.REQ = []
+ for i in range(self.NUMBND):
+ self.REQ.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Angle Force Constants...'
+ self.TK = []
+ for i in range(self.NUMANG):
+ self.TK.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Equilibrium Angle Values...'
+ self.TEQ = []
+ for i in range(self.NUMANG):
+ self.TEQ.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Dihedral Force Constants...'
+ self.PK = []
+ for i in range(self.NPTRA):
+ self.PK.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Dihedral Periodicity...'
+ self.PN = []
+ for i in range(self.NPTRA):
+ self.PN.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Dihedral Phase...'
+ self.PHASE = []
+ for i in range(self.NPTRA):
+ self.PHASE.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Solty...' #I think this is currently not used in AMBER. Check it out, though
+ self.SOLTY = []
+ for i in range(self.NATYP):
+ self.SOLTY.append(eval(Pop(Item_list,0)))
+
+ #....................................................
+
+ if len(Item_list) < 2 * self.NTYPES * (self.NTYPES + 1) / 2:
+ print '(error: File too short!)'
+ return -1
+
+ print 'Reading LJ A Coefficient...'
+ self.CN1 = []
+ for i in range(self.NTYPES * (self.NTYPES + 1) / 2):
+ self.CN1.append(eval(Pop(Item_list,0)))
+
+ print 'Reading LJ B Coefficient...'
+ self.CN2 = []
+ for i in range(self.NTYPES * (self.NTYPES + 1) / 2):
+ self.CN2.append(eval(Pop(Item_list,0)))
+
+ #....................................................
+
+ if len(Item_list) < 3 * (self.NBONH + self.NBONA) + \
+ 4 * (self.NTHETH + self.NTHETA) + 5 * (self.NPHIH + self.NPHIA):
+ print '(error: File too short!)'
+ return -1
+
+ print 'Reading Bonds which include hydrogen...'
+ self.IBH = []
+ self.JBH = []
+ self.ICBH = []
+ for i in range(self.NBONH):
+ self.IBH.append(eval(Pop(Item_list,0)))
+ self.JBH.append(eval(Pop(Item_list,0)))
+ self.ICBH.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Bonds which dont include hydrogen...'
+ self.IB = []
+ self.JB = []
+ self.ICB = []
+ for i in range(self.NBONA):
+ self.IB.append(eval(Pop(Item_list,0)))
+ self.JB.append(eval(Pop(Item_list,0)))
+ self.ICB.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Angles which include hydrogen...'
+ self.ITH = []
+ self.JTH = []
+ self.KTH = []
+ self.ICTH = []
+ for i in range(self.NTHETH):
+ self.ITH.append(eval(Pop(Item_list,0)))
+ self.JTH.append(eval(Pop(Item_list,0)))
+ self.KTH.append(eval(Pop(Item_list,0)))
+ self.ICTH.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Angles which dont include hydrogen...'
+ self.IT = []
+ self.JT = []
+ self.KT = []
+ self.ICT = []
+ for i in range(self.NTHETA):
+ self.IT.append(eval(Pop(Item_list,0)))
+ self.JT.append(eval(Pop(Item_list,0)))
+ self.KT.append(eval(Pop(Item_list,0)))
+ self.ICT.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Dihedrals which include hydrogen...'
+ self.IPH = []
+ self.JPH = []
+ self.KPH = []
+ self.LPH = []
+ self.ICPH = []
+ for i in range(self.NPHIH):
+ self.IPH.append(eval(Pop(Item_list,0)))
+ self.JPH.append(eval(Pop(Item_list,0)))
+ self.KPH.append(eval(Pop(Item_list,0)))
+ self.LPH.append(eval(Pop(Item_list,0)))
+ self.ICPH.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Dihedrals which dont include hydrogen...'
+ self.IP = []
+ self.JP = []
+ self.KP = []
+ self.LP = []
+ self.ICP = []
+ for i in range(self.NPHIA):
+ self.IP.append(eval(Pop(Item_list,0)))
+ self.JP.append(eval(Pop(Item_list,0)))
+ self.KP.append(eval(Pop(Item_list,0)))
+ self.LP.append(eval(Pop(Item_list,0)))
+ self.ICP.append(eval(Pop(Item_list,0)))
+
+ #....................................................
+
+ if len(Item_list) < self.NEXT + 3 * self.NPHB + 4 * self.NATOM:
+ print '(error: File too short!)'
+ return -1
+
+ print 'Reading Excluded Atom List...'
+ self.NATEX = []
+ for i in range(self.NEXT):
+ self.NATEX.append(eval(Pop(Item_list,0)))
+
+ print 'Reading H-Bond A Coefficient, corresponding to r**12 term for all possible types...'
+ self.ASOL = []
+ for i in range(self.NPHB):
+ self.ASOL.append(eval(Pop(Item_list,0)))
+
+ print 'Reading H-Bond B Coefficient, corresponding to r**10 term for all possible types...'
+ self.BSOL = []
+ for i in range(self.NPHB):
+ self.BSOL.append(eval(Pop(Item_list,0)))
+
+ print 'Reading H-Bond Cut...' # I think it is not being used nowadays
+ self.HBCUT = []
+ for i in range(self.NPHB):
+ self.HBCUT.append(eval(Pop(Item_list,0)))
+
+ print 'Reading Amber Atom Types for each atom...'
+ self.ISYMBL = []
+ for i in range(self.NATOM):
+ self.ISYMBL.append(Pop(Item_list,0))
+
+ print 'Reading Tree Chain Classification...'
+ self.ITREE = []
+ for i in range(self.NATOM):
+ self.ITREE.append(Pop(Item_list,0))
+
+ print 'Reading Join Array: Tree joining information' # Currently unused in Sander, an AMBER module
+ self.JOIN = []
+ for i in range(self.NATOM):
+ self.JOIN.append(eval(Pop(Item_list,0)))
+
+ print 'Reading IRotate...' # Currently unused in Sander and Gibbs
+ self.IROTAT = []
+ for i in range(self.NATOM):
+ self.IROTAT.append(eval(Pop(Item_list,0)))
+
+ #....................................................
+
+ if self.IFBOX > 0:
+ if len(Item_list) < 3:
+ print '(error: File too short!)'
+ return -1
+
+ print 'Reading final residue which is part of solute...'
+ self.IPTRES = eval(Pop(Item_list,0))
+ print 'Reading total number of molecules...'
+ self.NSPM = eval(Pop(Item_list,0))
+ print 'Reading first solvent moleule index...'
+ self.NSPSOL = eval(Pop(Item_list,0))
+
+ if len(Item_list) < self.NSPM + 4:
+ print '(error: File too short!)'
+ return -1
+
+ print 'Reading atom per molecule...'
+ self.NSP = []
+ for i in range(self.NSPM):
+ self.NSP.append(eval(Pop(Item_list,0)))
+
+ self.BETA = eval(Pop(Item_list,0))
+
+ print 'Reading Box Dimensions...'
+ if self.__dict__.has_key('BOX'):
+ BOX = []
+ for i in range(3):
+ BOX.append(eval(Pop(Item_list,0)))
+ for i in range(3):
+ if BOX[i] != self.BOX[i]:
+ print '(warning: BOX differs!)',
+ break
+ del BOX
+ else:
+ self.BOX = []
+ for i in range(3):
+ self.BOX.append(eval(Pop(Item_list,0)))
+
+ #....................................................
+
+ if self.IFCAP > 0:
+ if len(Item_list) < 5:
+ print '(error: File too short!)'
+ return -1
+ print 'Reading ICAP variables::: For details, refer to online AMBER format manual'
+ self.NATCAP = eval(Pop(Item_list,0))
+ self.CUTCAP = eval(Pop(Item_list,0))
+ self.XCAP = eval(Pop(Item_list,0))
+ self.YCAP = eval(Pop(Item_list,0))
+ self.ZCAP = eval(Pop(Item_list,0))
+
+ #....................................................
+
+ if self.IFPERT > 0:
+ if len(Item_list) < 4 * self.NBPER + 5 * self.NGPER + \
+ 6 * self.NDPER + self.NRES + 6 * self.NATOM:
+ print '(error: File too short!)'
+ return -1
+
+ print 'Reading perturb variables, 1. Bond, 2. Angles, 3. Dihedrals, etc etc.::: For details, refer to online AMBER format manual'
+ self.IBPER = []
+ self.JBPER = []
+ for i in range(self.NBPER):
+ self.IBPER.append(eval(Pop(Item_list,0)))
+ self.JBPER.append(eval(Pop(Item_list,0)))
+
+ self.ICBPER = []
+ for i in range(2 * self.NBPER):
+ self.ICBPER.append(eval(Pop(Item_list,0)))
+
+ self.ITPER = []
+ self.JTPER = []
+ self.KTPER = []
+ for i in range(self.NGPER):
+ self.ITPER.append(eval(Pop(Item_list,0)))
+ self.JTPER.append(eval(Pop(Item_list,0)))
+ self.KTPER.append(eval(Pop(Item_list,0)))
+
+ self.ICTPER = []
+ for i in range(2 * self.NGPER):
+ self.ICTPER.append(eval(Pop(Item_list,0)))
+
+ self.IPPER = []
+ self.JPPER = []
+ self.KPPER = []
+ self.LPPER = []
+ for i in range(self.NDPER):
+ self.IPPER.append(eval(Pop(Item_list,0)))
+ self.JPPER.append(eval(Pop(Item_list,0)))
+ self.KPPER.append(eval(Pop(Item_list,0)))
+ self.LPPER.append(eval(Pop(Item_list,0)))
+
+ self.ICPPER = []
+ for i in range(2 * self.NDPER):
+ self.ICPPER.append(eval(Pop(Item_list,0)))
+
+ LABRES = []
+ for i in range(self.NRES):
+ LABRES.append(Pop(Item_list,0))
+ for i in range(self.NRES):
+ if LABRES[i] != self.LABRES[i]:
+ print '(warning: BOX differs!)',
+ break
+
+ self.IGRPER = []
+ for i in range(self.NATOM):
+ self.IGRPER.append(eval(Pop(Item_list,0)))
+
+ self.ISMPER = []
+ for i in range(self.NATOM):
+ self.ISMPER.append(eval(Pop(Item_list,0)))
+
+ self.ALMPER = []
+ for i in range(self.NATOM):
+ self.ALMPER.append(eval(Pop(Item_list,0)))
+
+ self.IAPER = []
+ for i in range(self.NATOM):
+ self.IAPER.append(eval(Pop(Item_list,0)))
+
+ self.IACPER = []
+ for i in range(self.NATOM):
+ self.IACPER.append(eval(Pop(Item_list,0)))
+
+ self.CGPER = []
+ for i in range(self.NATOM):
+ self.CGPER.append(eval(Pop(Item_list,0)))
+
+ #....................................................
+
+ self.IPOL = 0
+ if self.IPOL == 1:
+ if len(Item_list) < self.NATOM:
+ print '(error: File too short!)'
+ return -1
+ print 'Reading Polarizability Data. For details, refer to online AMBER format manual'
+ self.ATPOL = []
+ for i in range(self.NATOM):
+ self.ATPOL.append(eval(Pop(Item_list,0)))
+
+ if self.IFPERT == 1:
+ if len(Item_list) < self.NATOM:
+ print '(error: File too short!)'
+ return -1
+ self.ATPOL1 = []
+ for i in range(self.NATOM):
+ self.ATPOL1.append(eval(Pop(Item_list,0)))
+
+ #....................................................
+
+ if len(Item_list):
+ print '(warning: File too large!)',
+
+ print 'done.'
+ self.TOP_is_read = 1
+
+#============================================================
+
+def Find_Amber_files():
+ 'Look for sets of Amber files to process'
+ '''If not passed anything on the command line, look for pairs of
+ Amber files (.crd and .top) in the current directory. For
+ each set if there is no corresponding Lammps file (data.), or it is
+ older than any of the Amber files, add its basename to a list of
+ strings. This list is returned by the function'''
+
+ # Date and existence checks not yet implemented
+
+ import os, sys
+
+ Basename_list = []
+
+ # Extract basenames from command line
+ for Name in sys.argv[1:]:
+ if Name[-4:] == '.crd':
+ Basename_list.append(Name[:-4])
+ else:
+ if Name[-4:] == '.top':
+ Basename_list.append(Name[:-4])
+ else:
+ Basename_list.append(Name)
+
+ # Remove duplicate basenames
+ for Basename in Basename_list[:]:
+ while Basename_list.count(Basename) > 1:
+ Basename_list.remove(Basename)
+
+ if Basename_list == []:
+ print 'Looking for Amber files...',
+ Dir_list = os.listdir('.')
+ Dir_list.sort()
+ for File in Dir_list:
+ if File[-4:] == '.top':
+ Basename = File[:-4]
+ if (Basename + '.crd') in Dir_list:
+ Basename_list.append(Basename)
+ if Basename_list != []:
+ print 'found',
+ for i in range(len(Basename_list)-1):
+ print Basename_list[i] + ',',
+ print Basename_list[-1] + '\n'
+
+ if Basename_list == []:
+ print 'none.\n'
+
+ return Basename_list
+
+#============================================================
+
+def Convert_Amber_files():
+ 'Handle the whole conversion process'
+ print
+ print 'Welcome to amber2lammps, a program to convert Amber files to Lammps format!'
+ print
+ Basename_list = Find_Amber_files()
+ for Basename in Basename_list:
+ a = Amber()
+ a.Read_CRD(Basename)
+ if a.CRD_is_read:
+ a.Read_TOP(Basename)
+ if a.TOP_is_read:
+ l = a.Coerce_to_Lammps()
+ l.Write_Lammps(Basename)
+ del l
+ del a
+ print
+
+#============================================================
+
+Convert_Amber_files()
diff --git a/tools/amber2lmp/dump2trj.py b/tools/amber2lmp/dump2trj.py
new file mode 100644
index 0000000000..d406ae7eb9
--- /dev/null
+++ b/tools/amber2lmp/dump2trj.py
@@ -0,0 +1,306 @@
+#! /usr/freeware/bin/python
+
+#
+# This is dump2trj, a program written by Keir E. Novik to convert
+# Lammps position dump files to Amber trajectory files.
+#
+# Copyright 2000, 2001 Keir E. Novik; all rights reserved.
+#
+# Modified by Vikas Varshney, U Akron, 5 July 2005, as described in README
+#
+
+#============================================================
+
+def Convert_files():
+ 'Handle the whole conversion process'
+
+ print
+ print 'Welcome to dump2trj, a program to convert Lammps position dump files to\nAmber trajectory format!'
+ print
+
+ Basename_list = Find_dump_files()
+
+ for Basename in Basename_list:
+ t = Trajectory()
+ if t.Read_dump(Basename):
+ t.Write_trj(Basename)
+ del t
+ print
+
+#============================================================
+
+def Find_dump_files():
+ 'Look for sets of Lammps position dump files to process'
+
+ '''If passed something on the command line, treat it as a list of
+ files to process. Otherwise, look for *.dump in the current
+ directory.
+ '''
+
+ import os, sys
+
+ Basename_list = []
+
+ # Extract basenames from command line
+ for Name in sys.argv[1:]:
+ if Name[-5:] == '.dump':
+ Basename_list.append(Name[:-5])
+ else:
+ Basename_list.append(Name)
+
+ if Basename_list == []:
+ print 'Looking for Lammps dump files...',
+ Dir_list = os.listdir('.')
+ for Filename in Dir_list:
+ if Filename[-5:] == '.dump':
+ Basename_list.append(Filename[:-5])
+ Basename_list.sort()
+ if Basename_list != []:
+ print 'found',
+ for i in range(len(Basename_list)-1):
+ print Basename_list[i] + ',',
+ print Basename_list[-1] + '\n'
+
+ if Basename_list == []:
+ print 'none.\n'
+
+ return Basename_list
+
+#============================================================
+
+class Snapshot:
+ def __init__(self, The_trajectory):
+ 'Initialise the Snapshot class'
+
+ self.timestep = The_trajectory.timestep
+ self.atoms = The_trajectory.atoms
+ self.xlo = The_trajectory.xlo
+ self.xhi = The_trajectory.xhi
+ self.ylo = The_trajectory.ylo
+ self.yhi = The_trajectory.yhi
+ self.zlo = The_trajectory.zlo
+ self.zhi = The_trajectory.zhi
+
+ #--------------------------------------------------------
+
+ def Read_dump(self, Lines):
+ 'Read a snapshot (timestep) from a Lammps position dump file'
+
+ '''Trajectory.Read_dump() will pass us only the lines we need.
+ '''
+
+ self.Atom_list = Lines
+
+ #--------------------------------------------------------
+
+ def Write_trj(self, F):
+ 'Write a snapshot (timestep) to an Amber trajectory file'
+
+ '''The Atom_list must be sorted, as it may not be in order
+ (for example, in a parallel Lammps simulation).
+ '''
+
+ import string
+
+ xBOX = (self.xhi - self.xlo)
+ yBOX = (self.yhi - self.ylo)
+ zBOX = (self.zhi - self.zlo)
+
+ Min = min(self.xlo, self.ylo, self.zlo)
+ Max = max(self.xhi, self.yhi, self.zhi, xBOX, yBOX, zBOX)
+ if Min <= -1000 or Max >= 10000:
+ print '(error: coordinates too large!)'
+ return
+
+ Print_list = []
+
+ for Line in NumericalSort(self.Atom_list):
+ Item_list = string.split(Line)
+ x = xBOX * (Float(Item_list[2])+Float(Item_list[5])) # Modified main box x-coordinate to actual x-coordinate
+ y = yBOX * (Float(Item_list[3])+Float(Item_list[6])) # Modified main box y-coordinate to actual y-coordinate
+ z = zBOX * (Float(Item_list[4])+Float(Item_list[7])) # Modified main box z-coordinate to actual z-coordinate
+ Print_list.append('%(x)8.3f' % vars())
+ Print_list.append('%(y)8.3f' % vars())
+ Print_list.append('%(z)8.3f' % vars())
+
+ if len(Print_list) > 9:
+ Line = ''
+ for j in range(10):
+ Line = Line + Print_list[j]
+ Line = Line + '\n'
+ Print_list = Print_list[10:]
+
+ try:
+ F.write(Line)
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return
+
+ if len(Print_list) > 0:
+ Line = ''
+ for j in range(len(Print_list)):
+ Line = Line + Print_list[j]
+ Line = Line + '\n'
+
+ try:
+ F.write(Line)
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return
+
+ Line = '%(xBOX)8.3f%(yBOX)8.3f%(zBOX)8.3f\n' % vars()
+ try:
+ F.write(Line)
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return
+
+#============================================================
+
+class Trajectory:
+
+ def Read_dump(self, Basename):
+ 'Read a Lammps position dump file'
+
+ import string, sys
+
+ Filename = Basename + '.dump'
+
+ print 'Reading', Filename + '...',
+ sys.stdout.flush()
+
+ try:
+ F = open(Filename)
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ return 0
+
+ try:
+ Lines = F.readlines()
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return 0
+
+ F.close()
+
+ i = 0
+ self.Snapshot_list = []
+
+ # Parse the dump
+ while i < len(Lines):
+
+ if string.find(Lines[i], 'ITEM: TIMESTEP') != -1:
+ # Read the timestep
+ self.timestep = int(Lines[i+1])
+ i = i + 2
+
+ elif string.find(Lines[i], 'ITEM: NUMBER OF ATOMS') != -1:
+ # Read the number of atoms
+ self.atoms = int(Lines[i+1])
+ i = i + 2
+
+ elif string.find(Lines[i], 'ITEM: BOX BOUNDS') != -1:
+ # Read the periodic box boundaries
+ Item_list = string.split(Lines[i+1])
+ self.xlo = Float(Item_list[0])
+ self.xhi = Float(Item_list[1])
+ Item_list = string.split(Lines[i+2])
+ self.ylo = Float(Item_list[0])
+ self.yhi = Float(Item_list[1])
+ Item_list = string.split(Lines[i+3])
+ self.zlo = Float(Item_list[0])
+ self.zhi = Float(Item_list[1])
+ i = i + 4
+
+ elif string.find(Lines[i], 'ITEM: ATOMS') != -1:
+ # Read atom positions
+ self.Snapshot_list.append(Snapshot(self))
+ Start = i + 1
+ End = Start + self.atoms
+ self.Snapshot_list[-1].Read_dump(Lines[Start:End])
+ i = i + self.atoms + 1
+
+ else:
+ print '(error: unknown line in file!)'
+ return
+
+ print 'done.'
+ return 1
+
+ #--------------------------------------------------------
+
+ def Write_trj(self, Basename):
+ 'Write an Amber trajectory file'
+
+ import os, sys
+
+ Filename = Basename + '.mdcrd'
+
+ Dir_list = os.listdir('.')
+ i = 1
+ while Filename in Dir_list:
+ Filename = Basename + `i` + '.mdcrd'
+ i = i + 1
+ del i
+
+ print 'Writing', Filename + '...',
+ sys.stdout.flush()
+
+ try:
+ F = open(Filename, 'w')
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ return
+
+ try:
+ F.write(Basename + '\n')
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return
+
+ for S in self.Snapshot_list:
+ S.Write_trj(F)
+
+ F.close()
+ print 'done.'
+
+#============================================================
+
+def Float(s):
+ 'Return the string s as a float, if possible'
+
+ try:
+ x = float(s)
+ except ValueError:
+ if s[-1] == ',':
+ s = s[:-1]
+ x = float(s)
+
+ return x
+
+#============================================================
+
+def NumericalSort(String_list):
+ 'Sort a list of strings by the integer value of the first element'
+
+ import string
+
+ Working_list = []
+ for s in String_list:
+ Working_list.append((int(string.split(s)[0]), s))
+
+ Working_list.sort()
+
+ Return_list = []
+ for Tuple in Working_list:
+ Return_list.append(Tuple[1])
+ return Return_list
+
+#============================================================
+
+Convert_files()
diff --git a/tools/amber2lmp/dump2trj99.py b/tools/amber2lmp/dump2trj99.py
new file mode 100755
index 0000000000..19e6064e7c
--- /dev/null
+++ b/tools/amber2lmp/dump2trj99.py
@@ -0,0 +1,277 @@
+#! /usr/freeware/bin/python
+
+#
+# This is dump2trj, a program written by Keir E. Novik to convert
+# Lammps position dump files to Amber trajectory files.
+#
+# Copyright 2000 Keir E. Novik; all rights reserved.
+#
+
+#============================================================
+
+def Convert_files():
+ 'Handle the whole conversion process'
+
+ print
+ print 'Welcome to dump2trj, a program to convert Lammps position dump files to\nAmber trajectory format!'
+ print
+
+ Basename_list = Find_dump_files()
+
+ for Basename in Basename_list:
+ t = Trajectory()
+ if t.Read_dump(Basename):
+ t.Write_trj(Basename)
+ del t
+ print
+
+#============================================================
+
+def Find_dump_files():
+ 'Look for sets of Lammps position dump files to process'
+
+ '''If passed something on the command line, treat it as a list of
+ files to process. Otherwise, look for *.dump in the current
+ directory.
+ '''
+
+ import os, sys
+
+ Basename_list = []
+
+ # Extract basenames from command line
+ for Name in sys.argv[1:]:
+ if Name[-5:] == '.dump':
+ Basename_list.append(Name[:-5])
+ else:
+ Basename_list.append(Name)
+
+ if Basename_list == []:
+ print 'Looking for Lammps dump files...',
+ Dir_list = os.listdir('.')
+ for Filename in Dir_list:
+ if Filename[-5:] == '.dump':
+ Basename_list.append(Filename[:-5])
+ Basename_list.sort()
+ if Basename_list != []:
+ print 'found',
+ for i in range(len(Basename_list)-1):
+ print Basename_list[i] + ',',
+ print Basename_list[-1] + '\n'
+
+ if Basename_list == []:
+ print 'none.\n'
+
+ return Basename_list
+
+#============================================================
+
+class Snapshot:
+ def __init__(self, The_trajectory):
+ 'Initialise the Snapshot class'
+
+ self.atoms = The_trajectory.atoms
+ self.xlo = The_trajectory.xlo
+ self.xhi = The_trajectory.xhi
+ self.ylo = The_trajectory.ylo
+ self.yhi = The_trajectory.yhi
+ self.zlo = The_trajectory.zlo
+ self.zhi = The_trajectory.zhi
+
+ #--------------------------------------------------------
+
+ def Read_dump(self, Lines):
+ 'Read a snapshot (timestep) from a Lammps position dump file'
+
+ '''Trajectory.Read_dump() will pass us only the lines we need
+ (including the timestep number).
+ '''
+
+ self.Atom_list = Lines[3:]
+
+ #--------------------------------------------------------
+
+ def Write_trj(self, F):
+ 'Write a snapshot (timestep) to an Amber trajectory file'
+
+ '''The Atom_list must be sorted, as it may not be in order
+ (for example, in a parallel Lammps simulation). The first
+ element (before the sort) is the header line.
+ '''
+
+ import string
+
+ xBOX = (self.xhi - self.xlo)
+ yBOX = (self.yhi - self.ylo)
+ zBOX = (self.zhi - self.zlo)
+
+ Min = min(self.xlo, self.ylo, self.zlo)
+ Max = max(self.xhi, self.yhi, self.zhi, xBOX, yBOX, zBOX)
+ if Min <= -1000 or Max >= 10000:
+ print '(error: coordinates too large!)'
+ return
+
+ Print_list = []
+
+ self.Atom_list = self.Atom_list[1:]
+ self.Atom_list.sort()
+
+ for Line in self.Atom_list:
+ Item_list = string.split(Line)
+ x = xBOX * Float(Item_list[2])
+ y = yBOX * Float(Item_list[3])
+ z = zBOX * Float(Item_list[4])
+ Print_list.append('%(x)8.3f' % vars())
+ Print_list.append('%(y)8.3f' % vars())
+ Print_list.append('%(z)8.3f' % vars())
+
+ if len(Print_list) > 9:
+ Line = ''
+ for j in range(10):
+ Line = Line + Print_list[j]
+ Line = Line + '\n'
+ Print_list = Print_list[10:]
+
+ try:
+ F.write(Line)
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return
+
+ if len(Print_list) > 0:
+ Line = ''
+ for j in range(len(Print_list)):
+ Line = Line + Print_list[j]
+ Line = Line + '\n'
+
+ try:
+ F.write(Line)
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return
+
+ Line = '%(xBOX)8.3f%(yBOX)8.3f%(zBOX)8.3f\n' % vars()
+ try:
+ F.write(Line)
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return
+
+#============================================================
+
+class Trajectory:
+ #--------------------------------------------------------
+
+ def Read_dump(self, Basename):
+ 'Read a Lammps position dump file'
+
+ import string, sys
+
+ Filename = Basename + '.dump'
+
+ print 'Reading', Filename + '...',
+ sys.stdout.flush()
+
+ try:
+ F = open(Filename)
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ return 0
+
+ try:
+ Lines = F.readlines()
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return 0
+
+ F.close()
+
+ # Read the number of atoms
+ self.atoms = int(Lines[1])
+
+ # Read the periodic box boundaries
+ Item_list = string.split(Lines[3])
+ self.xlo = Float(Item_list[0])
+ self.xhi = Float(Item_list[1])
+ Item_list = string.split(Lines[4])
+ self.ylo = Float(Item_list[0])
+ self.yhi = Float(Item_list[1])
+ Item_list = string.split(Lines[5])
+ self.zlo = Float(Item_list[0])
+ self.zhi = Float(Item_list[1])
+
+ # Read atom positions in each snapshot
+ Snapshots = (len(Lines) - 6) / (self.atoms + 3)
+ if int(Snapshots) != Snapshots:
+ print '(error: wrong length of dump!)'
+ return
+
+ self.Snapshot_list = []
+ for i in range(Snapshots):
+ self.Snapshot_list.append(Snapshot(self))
+ Start = 5 + i * (self.atoms + 3)
+ End = Start + (self.atoms + 3) + 1
+ self.Snapshot_list[-1].Read_dump(Lines[Start:End])
+
+ print 'done.'
+ return 1
+
+ #--------------------------------------------------------
+
+ def Write_trj(self, Basename):
+ 'Write an Amber trajectory file'
+
+ import os, sys
+
+ Filename = Basename + '.x'
+
+ Dir_list = os.listdir('.')
+ i = 1
+ while Filename in Dir_list:
+ Filename = Basename + `i` + '.x'
+ i = i + 1
+ del i
+
+ print 'Writing', Filename + '...',
+ sys.stdout.flush()
+
+ try:
+ F = open(Filename, 'w')
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ return
+
+ try:
+ F.write(Basename + '\n')
+ except IOError, Detail:
+ print '(error:', Detail[1] + '!)'
+ F.close()
+ return
+
+ for S in self.Snapshot_list:
+ S.Write_trj(F)
+
+ F.close()
+ print 'done.'
+
+#============================================================
+
+def Float(s):
+ 'Return the string s as a float, if possible'
+
+ try:
+ x = float(s)
+ except ValueError:
+ if s[-1] == ',':
+ s = s[:-1]
+ x = float(s)
+
+ return x
+
+#============================================================
+
+Convert_files()
diff --git a/tools/binary2txt.cpp b/tools/binary2txt.cpp
new file mode 100644
index 0000000000..b80f0e1c8b
--- /dev/null
+++ b/tools/binary2txt.cpp
@@ -0,0 +1,122 @@
+/* -----------------------------------------------------------------------
+ LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+ www.cs.sandia.gov/~sjplimp/lammps.html
+ Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+
+ Copyright (2003) Sandia Corporation. Under the terms of Contract
+ DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+ certain rights in this software. This software is distributed under
+ the GNU General Public License.
+
+ See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------ */
+
+// Convert one or more LAMMPS binary dump files to ASCII text files
+//
+// this serial code must be compiled on a platform that can read the binary
+// dump files since binary formats are not compatible across all platforms
+//
+// Syntax: binary2txt file1 file2 ...
+// Creates: file1.txt file2.txt ...
+
+#include "stdio.h"
+#include "stdlib.h"
+#include "string.h"
+
+main(int narg, char **arg)
+{
+ int i,j,k,m,n;
+ int ntimestep,natoms,size_one,nchunk;
+ double xlo,xhi,ylo,yhi,zlo,zhi;
+ int maxbuf = 0;
+ double *buf = NULL;
+
+ if (narg == 1) {
+ printf("Syntax: binary2txt file1 file2 ...\n");
+ exit(1);
+ }
+
+ // loop over files
+
+ for (int iarg = 1; iarg < narg; iarg++) {
+ printf("%s:",arg[iarg]);
+ fflush(stdout);
+ FILE *fp = fopen(arg[iarg],"rb");
+ if (!fp) {
+ printf("ERROR: Could not open %s\n",arg[iarg]);
+ exit(1);
+ }
+
+ n = strlen(arg[iarg]) + 1 + 4;
+ char *filetxt = new char[n];
+ strcpy(filetxt,arg[iarg]);
+ strcat(filetxt,".txt");
+ FILE *fptxt = fopen(filetxt,"w");
+ delete [] filetxt;
+
+ // loop over snapshots in file
+
+ while (1) {
+
+ fread(&ntimestep,sizeof(int),1,fp);
+
+ // detect end-of-file
+
+ if (feof(fp)) {
+ fclose(fp);
+ fclose(fptxt);
+ break;
+ }
+
+ fread(&natoms,sizeof(int),1,fp);
+ fread(&xlo,sizeof(double),1,fp);
+ fread(&xhi,sizeof(double),1,fp);
+ fread(&ylo,sizeof(double),1,fp);
+ fread(&yhi,sizeof(double),1,fp);
+ fread(&zlo,sizeof(double),1,fp);
+ fread(&zhi,sizeof(double),1,fp);
+ fread(&size_one,sizeof(int),1,fp);
+ fread(&nchunk,sizeof(int),1,fp);
+
+ fprintf(fptxt,"ITEM: TIMESTEP\n");
+ fprintf(fptxt,"%d\n",ntimestep);
+ fprintf(fptxt,"ITEM: NUMBER OF ATOMS\n");
+ fprintf(fptxt,"%d\n",natoms);
+ fprintf(fptxt,"ITEM: BOX BOUNDS\n");
+ fprintf(fptxt,"%g %g\n",xlo,xhi);
+ fprintf(fptxt,"%g %g\n",ylo,yhi);
+ fprintf(fptxt,"%g %g\n",zlo,zhi);
+ fprintf(fptxt,"ITEM: ATOMS\n");
+
+ // loop over processor chunks in file
+
+ for (i = 0; i < nchunk; i++) {
+ fread(&n,sizeof(int),1,fp);
+
+ // extend buffer to fit chunk size
+
+ if (n > maxbuf) {
+ if (buf) delete [] buf;
+ buf = new double[n];
+ maxbuf = n;
+ }
+
+ // read chunk and write as size_one values per line
+
+ fread(buf,sizeof(double),n,fp);
+ n /= size_one;
+ m = 0;
+ for (j = 0; j < n; j++) {
+ for (k = 0; k < size_one; k++) fprintf(fptxt,"%g ",buf[m++]);
+ fprintf(fptxt,"\n");
+ }
+ }
+
+ printf(" %d",ntimestep);
+ fflush(stdout);
+ }
+ printf("\n");
+ }
+
+ if (buf) delete [] buf;
+}
diff --git a/tools/ch2lmp/README b/tools/ch2lmp/README
new file mode 100755
index 0000000000..eb994ccb6f
--- /dev/null
+++ b/tools/ch2lmp/README
@@ -0,0 +1,130 @@
+These tools were created by Pieter J. in 't Veld (pjintve@sandia.gov)
+and Paul Crozier (pscrozi@sandia.gov), Sandia National Laboratories,
+2005. They are intended to make it easy to use CHARMM as a builder and
+as a post-processor for LAMMPS. Using charmm2lammps.pl, you can
+convert an ensemble built in CHARMM into its LAMMPS equivalent. Using
+lammps2pdb.pl you can convert LAMMPS atom dumps into pdb files.
+
+In this directory, you should find:
+1) A perl script called "charmm2lammps.pl"
+2) A perl script called "lammps2pdb.pl"
+3) An "example" folder containing an example of how to use these tools.
+4) An "other" folder containing other potentially useful tools.
+
+In addition, you will need to provide the following input for
+charmm2lammps.pl:
+1) a CHARMM parameter file (par_<forcefield>.prm)
+2) a CHARMM topology file (top_<forcefield>.rtf)
+3) a CHARMM coordinates file or pdb file (<project>.crd or <project>.pdb)
+4) a CHARMM psf file (<project>.psf)
+
+To use the charmm2lammps.pl script, type: "perl charmm2lammps.pl
+[-option[=#]] <forcefield> <project>" where <forcefield> is the name
+of the CHARMM FF you are using, (i.e. all22_prot), and <project> is
+the common name of your *.crd and *.psf files. The options for the
+script are listed below. If the option requires a parameter, the
+syntax must be [-option[=#]], (i.e. -border=5).
+
+-help "display available options",
+-charmm "add charmm types to LAMMPS data file",
+-water "add TIP3P water [default: 1 g/cc]",
+-ions "add (counter)ions using Na+ and Cl- [default: 0 mol/l]",
+-center "recenter atoms",
+-quiet "do not print info",
+-pdb_ctrl "output project_ctrl.pdb",
+-l "set x-, y-, and z-dimensions simultaneously",
+-lx "x-dimension of simulation box",
+-ly "y-dimension of simulation box",
+-lz "z-dimension of simulation box",
+-border "add border to all sides of simulation box [default: 0 A]",
+-ax "rotation around x-axis",
+-ay "rotation around y-axis",
+-az "rotation around z-axis"
+
+In the "example" folder, you will find example files that were created
+by following the steps below. These steps describe how to take a
+biomolecule and convert it into LAMMPS input, and then create a *.pdb
+trajectory from the LAMMPS output.
+
+1) Get the pdb file you want to model. http://www.rcsb.org/pdb/ For
+this example, we will use 1ac7.pdb
+
+2) If there are multiple models in the pdb file, choose the one you
+want and delete the others. Save the pared-down file as 1ac7_pared.pdb
+
+3) Download the charmm FF files and choose the one you want from the
+tarball. We will use all27_na for this example.
+http://www.pharmacy.umaryland.edu/faculty/amackere/force_fields.htm
+toppar_c31b1.tar.gz
+
+4) Create a *.pgn file for use with psfgen (you will need to have VMD
+installed, http://www.ks.uiuc.edu/Research/vmd/ ). This is the hardest
+step because you have to change the residue names from what the *.pdb
+file has to the corresponding names in the charmm FF files. You'll
+need to add a "pdbalias residue x xnew" line for each change that
+needs to be made. The *.pgn should contain something like this:
+
+package require psfgen
+topology top_all27_na.rtf
+pdbalias residue A ADE
+pdbalias residue T THY
+pdbalias residue G GUA
+pdbalias residue C CYT
+.
+.
+.
+segment A {pdb 1ac7_pared.pdb}
+coordpdb 1ac7_pared.pdb A
+guesscoord
+writepdb 1ac7.pdb
+writepsf charmm 1ac7.psf
+exit
+
+5) Type "vmd -e 1ac7.pgn" to build the 1ac7.psf file, and the new
+ 1ac7.pdb file.
+
+6) Run charmm2lammps.pl by typing:
+"perl charmm2lammps.pl all27_na 1ac7 -charmm -border=1 -pdb_ctrl -water -ions"
+
+7) Run lammps by typing: "lmp < 1ac7.in"
+
+8) Run lammps2pdb.pl by typing: "perl lammps2pdb.pl 1ac7"
+
+** Additional notes:
+
+The charmm2lammps.pl script takes the pdb and psf files for the 1ac7
+molecule and converts them into LAMMPS format. The -water option
+embeds the molecule in water on a crystal lattice. The -border option
+includes a layer of water surrounding the minimum dimensions of the
+molecule. The -pdb_ctrl option produces the 1ac7_ctrl.pdb file that
+can be visualized in a standard visualization package such as VMD. The
+-charmm option put comments into the LAMMPS data file (everything
+after the # sign is a comment) for user convenience in tracking atom
+types etc. according to CHARMM nomenclature.
+
+The default timestep in the LAMMPS *.in file is set to 0.5 fs, which
+can typically be increased to 2 fs after equilibration if the bonds
+involving H are constrained via shake. Also, after equilibration, the
+delay on neigh_modify can probably increased to 5 or so to improve
+speed.
+
+The -ions option allows the user to neutralize the simulation cell
+with Na+ or Cl- counterions if the molecule has a net
+charge. Additional salt can be added by increasing the default
+concentration (i.e. -ions=0.5).
+
+** In the "other" file folder, you will find:
+
+1) A FORTRAN 90 code called "mkpdb.f". Requires "in_mkpdb". This is a
+ fortran code that is an alternative way to convert LAMMPS dump
+ files into pdb format.
+
+2) A FORTRAN 90 code called "mkdcd.f" (and a FORTRAN 77 version called
+ mkdcd_f77.f). Requires "in_mkdcd". Creates CHARMM format
+ trajectories from LAMMPS dump files.
+
+3) A 3rd party perl script called "crd2pdb.pl"
+
+4) A 3rd party fortran code called "pdb_to_crd.f"
+
+
diff --git a/tools/ch2lmp/charmm2lammps.pl b/tools/ch2lmp/charmm2lammps.pl
new file mode 100644
index 0000000000..d857eb73ba
--- /dev/null
+++ b/tools/ch2lmp/charmm2lammps.pl
@@ -0,0 +1,1454 @@
+#!/usr/bin/perl
+#
+# program: charmm2lammps.pl
+# author: Pieter J. in 't Veld,
+# pjintve@sandia.gov, veld@verizon.net
+# date: February 12-23, April 5, 2005.
+# purpose: Translation of charmm input to lammps input
+#
+# Notes: Copyright by author for Sandia National Laboratories
+# 20050212 Needed (in the same directory):
+# - $project.crd ; Assumed to be correct and running
+# - $project.psf ; CHARMM configs
+# - top_$forcefield.rtf ;
+# - par_$forcefield.prm ;
+# Ouput:
+# - $project.data ; LAMMPS data file
+# - $project.in ; LAMMPS input file
+# - $project_ctrl.pdb ; PDB control file
+# - $project_ctrl.psf ; PSF control file
+# 20050218 Optimized for memory usage
+# 20050221 Rotation added
+# 20050222 Water added
+# 20050223 Ions added
+# 20050405 Water bug fixed; addition of .pdb input
+# 20050407 project_ctrl.psf bug fixed; addition of -border
+# 20050519 Added interpretation of charmm xplor psfs
+# 20050603 Fixed centering issues
+# 20050630 Fixed symbol issues arising from salt addition
+# 20060818 Changed reading of pdb format to read exact columns
+#
+# General Many thanks to Paul S. Crozier for checking script validity
+# against his projects.
+
+# Initialization
+
+ sub Test
+ {
+ my $name = shift(@_);
+
+ printf("Error: file %s not found\n", $name) if (!scalar(stat($name)));
+ return !scalar(stat($name));
+ }
+
+
+ sub Initialize # initialization
+ {
+ my $k = 0;
+ my @dir = ("x", "y", "z");
+ my @options = ("-help", "-charmm", "-water", "-ions", "-center",
+ "-quiet", "-pdb_ctrl", "-l", "-lx", "-ly", "-lz",
+ "-border", "-ax", "-ay", "-az");
+ my @remarks = ("display this message",
+ "add charmm types to LAMMPS data file",
+ "add TIP3P water [default: 1 g/cc]",
+ "add (counter)ions using Na+ and Cl- [default: 0 mol/l]",
+ "recenter atoms",
+ "do not print info",
+ "output project_ctrl.pdb [default: on]",
+ "set x-, y-, and z-dimensions simultaneously",
+ "x-dimension of simulation box",
+ "y-dimension of simulation box",
+ "z-dimension of simulation box",
+ "add border to all sides of simulation box [default: 0 A]",
+ "rotation around x-axis",
+ "rotation around y-axis",
+ "rotation around z-axis"
+ );
+ my $notes;
+
+ $program = "charmm2lammps";
+ $version = "1.8.0";
+ $year = "2006";
+ $add = 0;
+ $water_dens = 0;
+ $ions = 0;
+ $info = 1;
+ $center = 0;
+ $net_charge = 0;
+ $ion_molar = 0;
+ $pdb_ctrl = 1;
+ $border = 0;
+ $L = (0, 0, 0);
+ @R = M_Unit();
+
+ $notes = " * The average of extremes is used as the origin\n";
+ $notes .= " * Residues are numbered sequentially\n";
+ $notes .= " * Water is added on an FCC lattice: allow 5 ps for";
+ $notes .= " equilibration\n";
+ $notes .= " * Ions are added randomly and only when water is present\n";
+ $notes .= " * CHARMM force field v2.7 parameters used for";
+ $notes .= " water and NaCl\n";
+ $notes .= " * Rotation angles are in degrees\n";
+ $notes .= " * Rotations are executed consecutively: -ax -ay != -ay -ax\n";
+ $notes .= " * CHARMM files needed in execution directory:\n";
+ $notes .= " - project.crd coordinates\n";
+ $notes .= " - project.pdb when project.crd is absent\n";
+ $notes .= " - project.psf connectivity\n";
+ $notes .= " - top_forcefield.rtf topology\n";
+ $notes .= " - par_forcefield.prm parameters\n";
+ $notes .= " * Output files written to execution directory:\n";
+ $notes .= " - project.data LAMMPS data file\n";
+ $notes .= " - project.in suggested LAMMPS input script\n";
+ $notes .= " - project_ctrl.pdb control file when requested\n";
+
+ foreach (@ARGV)
+ {
+ if (substr($_, 0, 1) eq "-")
+ {
+ my $k = 0;
+ my @tmp = split("=");
+ my $switch = ($arg[1] eq "")||($arg[1] eq "on")||($arg[1]!=0);
+ $tmp[0] = lc($tmp[0]);
+ foreach (@options)
+ {
+ last if ($tmp[0] eq substr($_, 0 , length($tmp[0])));
+ ++$k;
+ }
+ $help = 1 if (!$k--);
+ $add = 1 if (!$k--);
+ $water_dens = ($tmp[1] ne "" ? $tmp[1] : 1) if (!$k--);
+ $ion_molar = abs($tmp[1]) if (!$k);
+ $ions = 1 if (!$k--);
+ $center = 1 if (!$k--);
+ $info = 0 if (!$k--);
+ $pdb_ctrl = $switch if (!$k--);
+ my $flag = $k--;
+ $L[0] = abs($tmp[1]) if (!($flag && $k--));
+ $L[1] = abs($tmp[1]) if (!($flag && $k--));
+ $L[2] = abs($tmp[1]) if (!($flag && $k--));
+ $border = abs($tmp[1]) if (!$k--);
+ @R = M_Dot(M_Rotate(0, $tmp[1]), @R) if (!$k--);
+ @R = M_Dot(M_Rotate(1, $tmp[1]), @R) if (!$k--);
+ @R = M_Dot(M_Rotate(2, $tmp[1]), @R) if (!$k--);
+ }
+ else
+ {
+ $forcefield = $_ if (!$k);
+ $project = $_ if ($k++ == 1);
+ }
+ }
+ $water_dens = 1 if ($ions && !$water_dens);
+ if (($k<2)||$help)
+ {
+ printf("%s v%s (c)%s by Pieter J. in \'t Veld for SNL\n\n",
+ $program, $version, $year);
+ printf("Usage:\n %s.pl [-option[=#] ..] forcefield project\n\n",$program);
+ printf("Options:\n");
+ for (my $i=0; $i<scalar(@options); ++$i)
+ {
+ printf(" %-10.10s %s\n", $options[$i], $remarks[$i]);
+ }
+ printf("\nNotes:\n%s\n", $notes);
+ exit(-1);
+ }
+ else { printf("%s v%s (c)%s\n\n", $program, $version, $year) if ($info); }
+ my $flag = Test($Parameters = "par_$forcefield.prm");
+ $flag |= Test($Topology = "top_$forcefield.rtf");
+ $flag |= Test($Pdb = "$project.pdb")
+ if (!scalar(stat($Crd = "$project.crd")));
+ $flag |= Test($Psf = "$project.psf") if ($look eq "");
+ $pdb = ($Pdb ne "") ? 1 : 0;
+ printf("Conversion aborted\n\n") if ($flag);
+ exit(-1) if ($flag);
+ printf("Info: using $Pdb instead of $Crd\n") if (!scalar(stat($Crd)));
+ for (my $i=0; $i<3; ++$i)
+ {
+ printf("Info: l%s not set: will use extremes\n",
+ ("x", "y", "z")[$i]) if ($info&&!$L[$i]);
+ }
+ open(PARAMETERS, "<par_$forcefield.prm");
+ }
+
+
+# Vector manipulation
+
+ sub V_String
+ {
+ my @v = @_;
+
+ return "{".$v[0].", ".$v[1].", ".$v[2]."}";
+ }
+
+
+ sub V_Add
+ {
+ my @v1 = splice(@_, 0, 3);
+ my @v2 = splice(@_, 0, 3);
+
+ return ($v1[0]+$v2[0], $v1[1]+$v2[1], $v1[2]+$v2[2]);
+ }
+
+
+ sub V_Subtr
+ {
+ my @v1 = splice(@_, 0, 3);
+ my @v2 = splice(@_, 0, 3);
+
+ return ($v1[0]-$v2[0], $v1[1]-$v2[1], $v1[2]-$v2[2]);
+ }
+
+
+ sub V_Dot
+ {
+ my @v1 = splice(@_, 0, 3);
+ my @v2 = splice(@_, 0, 3);
+
+ return $v1[0]*$v2[0]+$v1[1]*$v2[1]+$v1[2]*$v2[2];
+ }
+
+
+ sub V_Mult
+ {
+ my @v = splice(@_, 0, 3);
+ my $f = shift(@_);
+
+ return ($f*$v[0], $f*$v[1], $f*$v[2]);
+ }
+
+
+ sub M_String
+ {
+ my $string;
+
+ for (my $i=0; $i<3; ++$i)
+ {
+ $string .= ", " if ($i);
+ $string .= V_String(splice(@_, 0, 3));
+ }
+ return "{".$string."}";
+ }
+
+
+ sub M_Transpose
+ {
+ return
+ (@_[0], @_[3], @_[6],
+ @_[1], @_[4], @_[7],
+ @_[2], @_[5], @_[8]);
+ }
+
+
+ sub M_Dot
+ {
+ my @v11 = splice(@_, 0, 3);
+ my @v12 = splice(@_, 0, 3);
+ my @v13 = splice(@_, 0, 3);
+ my @m = M_Transpose(splice(@_, 0, 9));
+ my @v21 = splice(@m, 0, 3);
+ my @v22 = splice(@m, 0, 3);
+ my @v23 = splice(@m, 0, 3);
+
+ return (
+ V_Dot(@v11, @v21), V_Dot(@v11, @v22), V_Dot(@v11, @v23),
+ V_Dot(@v12, @v21), V_Dot(@v12, @v22), V_Dot(@v12, @v23),
+ V_Dot(@v13, @v21), V_Dot(@v13, @v22), V_Dot(@v13, @v23));
+ }
+
+
+ sub M_Unit { return (1,0,0, 0,1,0, 0,0,1); }
+
+ sub PI { return 4*atan2(1,1); }
+
+ sub M_Rotate
+ { # vmd convention
+ my $n = shift(@_);
+ my $alpha = shift(@_)*PI()/180;
+ my $cos = cos($alpha);
+ my $sin = sin($alpha);
+
+ $cos = 0 if (abs($cos)<1e-16);
+ $sin = 0 if (abs($sin)<1e-16);
+ return (1,0,0, 0,$cos,-$sin, 0,$sin,$cos) if ($n==0); # around x-axis
+ return ($cos,0,$sin, 0,1,0, -$sin,0,$cos) if ($n==1); # around y-axis
+ return ($cos,-$sin,0, $sin,$cos,0, 0,0,1) if ($n==2); # around z-axis
+ return M_Unit();
+ }
+
+
+ sub MV_Dot
+ {
+ my @v11 = splice(@_, 0, 3);
+ my @v12 = splice(@_, 0, 3);
+ my @v13 = splice(@_, 0, 3);
+ my @v2 = splice(@_, 0, 3);
+
+ return (V_Dot(@v11, @v2), V_Dot(@v12, @v2), V_Dot(@v13, @v2));
+ }
+
+
+# CHARMM input
+
+ sub PSFConnectivity
+ {
+ my $n = PSFGoto(bonds);
+
+ return if (scalar(@nconnect));
+ printf("Info: creating connectivity\n") if ($info);
+ for (my $i=0; $i<$n; ++$i)
+ {
+ my @bond = PSFGet(2);
+ $connect[$bond[0]][$nconnect[$bond[0]]++] = $bond[1];
+ $connect[$bond[1]][$nconnect[$bond[1]]++] = $bond[0];
+ }
+ }
+
+
+ sub PSFDihedrals # hack to accomodate
+ { # LAMMPS' way of calc
+ $idihedral = 0; # LJ 1-4 interactions
+ return $ndihedral if (($dihedral_flag = $ndihedral ? 1 : 0));
+ PSFConnectivity();
+ printf("Info: creating dihedrals\n") if ($info);
+ my $n = scalar(@nconnect);
+ my @bonded = ();
+ for (my $i=1; $i<=$n; ++$i)
+ {
+ $bonded[0] = $i;
+ for (my $i=0; $i<scalar($nconnect[$bonded[0]]); ++$i)
+ {
+ $bonded[1] = $connect[$bonded[0]][$i];
+ for (my $i=0; $i<scalar($nconnect[$bonded[1]]); ++$i)
+ {
+ next if (($bonded[2] = $connect[$bonded[1]][$i])==$bonded[0]);
+ for (my $i=0; $i<scalar($nconnect[$bonded[2]]); ++$i)
+ {
+ next if (($bonded[3] = $connect[$bonded[2]][$i])==$bonded[1]);
+ next if ($bonded[3]<$bonded[0]);
+ $dihedral[$ndihedral++] = join(" ", @bonded);
+ }
+ }
+ }
+ }
+ $dihedral_flag = 1;
+ return $ndihedral;
+ }
+
+
+ sub CreatePSFIndex # make an index of id
+ { # locations
+ my @psf_ids = ("!NATOM","!NBOND:","!NTHETA:","!NPHI:","!NIMPHI:");
+ my @ids = (atoms, bonds, angles, dihedrals, impropers);
+ my $k = 0;
+ my %hash;
+
+ printf("Info: creating PSF index\n") if ($info);
+ open(PSF, "<$project.psf") if (fileno(PSF) eq "");
+ foreach (@psf_ids) { $hash{$_} = shift(@ids); };
+ while (<PSF>)
+ {
+ chop();
+ my @tmp = split(" ");
+ my $n = $hash{$tmp[1]};
+ $PSFIndex{$n} = tell(PSF)." ".$tmp[0] if ($n ne "");
+ }
+ }
+
+
+ sub PSFGoto # goto $ident in <PSF>
+ {
+ CreatePSFIndex() if (!scalar(%PSFIndex));
+ my $id = shift(@_);
+ my @n = split(" ", $PSFIndex{$id});
+
+ @PSFBuffer = ();
+ # return PSFDihedrals() if ($id eq "dihedrals");
+ if (!scalar(@n))
+ {
+ printf("Warning: PSF index for $id not found\n");
+ seek(PSF, 0, SEEK_END);
+ return -1;
+ }
+ seek(PSF, $n[0], SEEK_SET);
+ return $n[1];
+ }
+
+
+ sub PSFGet
+ {
+ if ($dihedral_flag)
+ {
+ $dihedral_flag = $idihedral+1<$ndihedral ? 1 : 0;
+ return split(" ", $dihedral[$idihedral++]);
+ }
+ if (!scalar(@PSFBuffer))
+ {
+ my $line = <PSF>;
+ chop($line);
+ @PSFBuffer = split(" ", $line);
+ }
+ return splice(@PSFBuffer, 0, shift(@_));
+ }
+
+
+ sub PSFWrite
+ {
+ my $items = shift(@_);
+ my $n = $items;
+
+ if ($psf_ncols>7) { printf(PSF_CTRL "\n"); $psf_ncols = 0; }
+ foreach(@_)
+ {
+ printf(PSF_CTRL " %7d", $_);
+ ++$psf_ncols;
+ if ((!--$n) && ($psf_ncols>7))
+ {
+ printf(PSF_CTRL "\n");
+ $psf_ncols = 0;
+ $n = $items;
+ }
+ }
+ }
+
+
+ sub CRDGoto
+ {
+ my $n;
+
+ return if (shift(@_) ne "atoms");
+ open(CRD, "<".($pdb ? $Pdb : $Crd)) if (fileno(CRD) eq "");
+ seek(CRD, 0, SEEK_SET);
+ return PSFGoto(atoms) if ($pdb);
+ while (substr($n = <CRD>, 0, 1) eq "*") {}
+ chop($n);
+ return $n;
+ }
+
+
+ sub NextPDB2CRD
+ {
+ my @n = (6,5,1,4,1,3,1,1,4,1,3,8,8,8,6,6,6,4,2,2);
+ my @data = ();
+ my $c = 0;
+ my $line;
+
+ while (substr($line = <CRD>, 0, 4) ne "ATOM") {};
+ chop($line);
+ foreach (@n) { push(@data, substr($line, ($c += $_)-$_, $_)); }
+ return @data[1, 8, 5, 3, 11, 12, 13, 17, 8, 15];
+ }
+
+
+ sub Delete
+ {
+ my $item = shift(@_);
+ my $k = 0;
+ my @list;
+
+ foreach (@_)
+ {
+ my @tmp = split(" ");
+ delete($tmp[$item]);
+ $list[$k++] = join(" ", @tmp);
+ }
+ return @list;
+ }
+
+
+ sub CreateID # create id from list
+ {
+ my $n = scalar(@_);
+ my @list = @_;
+ my $id = "";
+ my $flag = $list[0] gt $list[-1];
+ my $j = $n;
+ my $tmp;
+
+ return "" if (scalar(@list)<$n);
+ $flag = $list[1] gt $list[-2]
+ if ((scalar(@list)>3)&&($list[0] eq $list[-1]));
+ for (my $i=0; $i<$n; ++$i)
+ {
+ $id .= ($i ? " " : "").($tmp = $list[$flag ? --$j : $i]);
+ $id .= substr(" ", 0, 4-length($tmp));
+ }
+ return $id;
+ }
+
+
+ sub AtomTypes
+ {
+ my $n = PSFGoto(atoms);
+ my %list;
+
+ return () if ($n<1);
+ $atom_types[0] = -1;
+ for (my $i=0; $i<$n; ++$i)
+ {
+ my @tmp = split(" ", <PSF>);
+ $tmp[5] = $symbols{$tmp[5]}
+ if ((substr($tmp[5],0,1) lt '0')||(substr($tmp[5],0,1) gt '9'));
+ push(@atom_types, $tmp[5]);
+ ++$list{$tmp[5]};
+ }
+ if ($water_dens)
+ {
+ push(@atom_types, $symbols{HT}); ++$list{$symbols{HT}};
+ push(@atom_types, $symbols{OT}); ++$list{$symbols{OT}};
+ }
+ if ($ions)
+ {
+ push(@atom_types, $symbols{CLA}); ++$list{$symbols{CLA}};
+ push(@atom_types, $symbols{SOD}); ++$list{$symbols{SOD}};
+ }
+ return sort({$a<=>$b} keys(%list));
+ }
+
+
+ sub Markers
+ {
+ my %markers;
+ my $n = 0;
+
+ foreach ("NONBONDED", "BONDS", "ANGLES", "DIHEDRALS", "IMPROPER") {
+ $markers{$_} = $n++; }
+ return %markers;
+ }
+
+
+ sub NonBond
+ {
+ my @cols = @_;
+ my $f = (scalar(@cols)>3)&&(substr($cols[3],0,1) ne "!");
+ my @tmp = (-$cols[1], $cols[2],
+ $f ? -$cols[4]:-$cols[1], $f ? $cols[5]:$cols[2]);
+ $tmp[1] *= 2.0**(5/6); # adjust sigma
+ $tmp[3] *= 2.0**(5/6); # adjust sigma 1-4
+ return join(" ", @tmp);
+ }
+
+
+ sub AtomParameters # non-bonded parameters
+ {
+ my @types;
+ my @list;
+ my $k = 0;
+ my $read = 0;
+ my %markers = Markers();
+
+ foreach(@_) { $types{$ids{$_}} = $k++; }
+ seek(PARAMETERS, 0, 0);
+ while (<PARAMETERS>)
+ {
+ chop();
+ my @cols = split(" ");
+ if ($read&&(scalar(@cols)>1)&&
+ (substr($cols[0],0,1) ne "!")&&($cols[1] lt "A"))
+ {
+ my $k = $types{shift(@cols)};
+ $list[$k] = NonBond(@cols) if ($k ne "");
+ }
+ if ($markers{$cols[0]} ne "") {
+ $read = ($markers{$cols[0]} eq "0") ? 1 : 0; }
+ }
+ $list[$types{HT}] = NonBond(0, -0.046, 0.2245)
+ if ($water_dens&&($list[$types{HT}] eq ""));
+ $list[$types{OT}] = NonBond(0, -0.152100, 1.768200)
+ if ($water_dens&&($list[$types{OT}] eq ""));
+ $list[$types{CLA}] = NonBond(0, -0.150, 2.27)
+ if ($ions&&($list[$types{CLA}] eq ""));
+ $list[$types{SOD}] = NonBond(0, -0.0469, 1.36375)
+ if ($ions&&($list[$types{SOD}] eq ""));
+ return @list;
+ }
+
+
+ sub BondedTypes # create bonded types
+ {
+ my $mode = shift(@_); # operation mode
+ my $items = (2, 3, 4, 4)[$mode]; # items per entry
+ my $id = (bonds, angles, dihedrals, impropers)[$mode];
+ my $n = PSFGoto($id);
+ my %list;
+
+ for (my $i=0; $i<$n; ++$i)
+ {
+ my @tmp = ();
+ foreach (PSFGet($items)) { push(@tmp, $ids{$atom_types[$_]}); }
+ ++$list{CreateID(@tmp)};
+ }
+ ++$list{CreateID(HT, OT)} if ($water_dens&&($mode==0));
+ ++$list{CreateID(HT, OT, HT)} if ($water_dens&&($mode==1));
+ @types = sort(keys(%list));
+ }
+
+
+ sub Parameters # parms from columns
+ {
+ my $items = shift(@_);
+ my @cols = @_;
+ my $parms = "";
+
+ for (my $i=$items; ($i<scalar(@cols))&&(substr($cols[$i],0,1)ne"!"); ++$i)
+ {
+ $parms = $parms.($i>$items ? " " : "").$cols[$i];
+ }
+ return $parms;
+ }
+
+
+ sub BondedParameters # distil parms from
+ { # <PARAMETERS>
+ my $mode = shift(@_); # bonded mode
+ return if (($mode>3)||($mode<0));
+
+ my $items = (2, 3, 4, 4)[$mode]; # items per entry
+ my $name = ("bond", "angle", "dihedral", "improper")[$mode];
+ my $read = 0;
+ my $k = 0;
+ my %markers = Markers();
+ my @set;
+ my @tmp;
+ my $f;
+ my %list;
+ my %link;
+
+ @parms = ();
+ foreach(@types) { $link{$_} = $k++; }
+ seek(PARAMETERS, 0, 0);
+ while (<PARAMETERS>)
+ {
+ chomp();
+ my @cols = split(" ");
+ if ($read&&(scalar(@cols)>$items)&&($cols[$items] lt "A"))
+ {
+ if (($items==4)&&(($f = ($cols[1] eq "X")&&($cols[2] eq "X"))||
+ (($cols[0] eq "X")&&($cols[3] eq "X")))) # wildcards
+ {
+ my $id = CreateID(($cols[1-$f], $cols[2+$f]));
+ for ($k=0; $k<scalar(@types); ++$k)
+ {
+ if (!$set[$k])
+ {
+ my @tmp = split(" ", $types[$k]);
+ if (CreateID($tmp[1-$f], $tmp[2+$f]) eq $id)
+ {
+ if ($mode==2)
+ {
+ if ($parms[$k] eq "") {
+ $parms[$k] = Parameters($items,@cols)." 1"; }
+ else {
+ $parms[$k] .= ":".Parameters($items,@cols)." 0"; }
+ }
+ else {
+ $parms[$k] .= Parameters($items,@cols); }
+ }
+ }
+ }
+ }
+ else # regular
+ {
+ for (my $i=0; $i<$items; ++$i) { $tmp[$i] = $cols[$i]; };
+ $k = $link{CreateID(@tmp)};
+ if ($k ne "")
+ {
+ $parms[$k] = "" if (!$set[$k]);
+ $parms[$k] .= ($set[$k]++ ? ":" : "").Parameters($items,@cols);
+ $parms[$k] .= ($set[$k]-1 ? " 0" : " 1") if ($mode==2);
+ }
+ }
+ }
+ if ($markers{$cols[0]}) {
+ $read = ($markers{$cols[0]} eq $mode+1) ? 1 : 0; }
+ }
+ if ($water_dens)
+ {
+ $parms[$link{CreateID(HT, OT)}] = "450 0.9572" if ($mode==0);
+ $parms[$link{CreateID(HT, OT, HT)}] = "55 104.52" if ($mode==1);
+ }
+ for (my $i=0; $i<scalar(@types); ++$i)
+ {
+ printf("Warning: %s parameter %4d for [%s] was not found\n",
+ $name, $i+1, $types[$i]) if ($parms[$i] eq "");
+ }
+ }
+
+
+ sub SetScreeningFactor # set screening factor
+ {
+ my $id = shift(@_);
+ my $value = shift(@_);
+ my $new = "";
+
+ foreach (split(":", $parms[$id]))
+ {
+ my @tmp = split(" ");
+ $tmp[-1] = $value if ($tmp[-1]);
+ $new .= ":" if ($new ne "");
+ $new .= join(" ", @tmp);
+ }
+ $parms[$id] = $new;
+ }
+
+
+ sub CorrectDihedralParameters
+ {
+ my $n = PSFGoto(dihedrals);
+ my %hash;
+ my $hash_id;
+ my $id1;
+ my $id2;
+ my $first;
+ my $last;
+
+ for (my $i=0; $i<$n; ++$i)
+ {
+ my @bonded = PSFGet(4);
+ my @tmp = ();
+ foreach (@bonded) { push(@tmp, $ids{$atom_types[$_]}); }
+ $id1 = $link{CreateID(@tmp)}-1;
+ $first = $bonded[0];
+ $last = $bonded[3];
+ if ($first>$last) { my $tmp = $first; $first = $last; $last = $tmp; }
+ if (($id2 = $hash{$hash_id = $first." ".$last}) eq "")
+ {
+ $hash{$hash_id} = $id1; # add id to hash
+ }
+ else
+ {
+ SetScreeningFactor($id1, 0.5); # 6-ring: shared 1-4
+ SetScreeningFactor($id2, 0.5);
+ }
+ }
+ $n = PSFGoto(angles);
+ for (my $i=0; $i<$n; ++$i)
+ {
+ my @bonded = PSFGet(3);
+ $first = $bonded[0];
+ $last = $bonded[2];
+ if ($first>$last) { my $tmp = $first; $first = $last; $last = $tmp; }
+ if (($id1 = $hash{$first." ".$last}) ne "")
+ {
+ SetScreeningFactor($id1, 0); # 5-ring: no 1-4
+ }
+ }
+ }
+
+
+ sub AddMass
+ {
+ my $symbol = shift(@_);
+ my $mass = shift(@_);
+
+ return if ($symbols{$symbol} ne "");
+ $ids{$max_id} = $symbol;
+ $masses{$max_id} = $mass;
+ $symbols{$symbol} = $max_id++;
+ }
+
+
+ sub ReadTopology # read topology links
+ {
+ my $id = shift(@_);
+ my $item = shift(@_);
+ my $read = 0;
+ my @tmp;
+
+ open(TOPOLOGY, "<top_$forcefield.rtf");
+ $max_id = 0;
+ while (<TOPOLOGY>)
+ {
+ chop(); # delete CR at end
+ my @tmp = split(" ");
+ $read = 1 if ($tmp[0] eq "MASS");
+ if ($read&&($tmp[0] eq "MASS"))
+ {
+ $symbols{$tmp[2]} = $tmp[1];
+ $ids{$tmp[1]} = $tmp[2];
+ $masses{$tmp[1]} = $tmp[3];
+ $max_id = $tmp[1] if ($max_id<$tmp[1]);
+ }
+ # $names{$tmp[1]} = $tmp[4] if ($read&&($tmp[0] eq "MASS"));
+ last if ($read&&!scalar(@tmp)); # quit reading
+ }
+ AddMass(HT, 1.00800);
+ AddMass(OT, 15.99940);
+ AddMass(CLA, 35.450000);
+ AddMass(SOD, 22.989770);
+ close(TOPOLOGY);
+ }
+
+
+ sub CrossLink # symbolic cross-links
+ {
+ my @list = @_;
+ my $n = scalar(@list);
+ my %hash;
+
+ for (my $i=0; $i<$n; ++$i) { $hash{$list[$i]} = $i+1; }
+ return %hash;
+ }
+
+
+ sub CharacterizeBox
+ {
+ my $flag = 1;
+ my @x = (-$L[0]/2, $L[0]/2);
+ my @y = (-$L[1]/2, $L[1]/2);
+ my @z = (-$L[2]/2, $L[2]/2);
+ my $n = CRDGoto(atoms);
+ my $extremes = !($L[0] && $L[1] && $L[2]);
+
+ @Center = (0, 0, 0);
+ return if (!$n);
+ for (my $i=0; $i<$n; ++$i)
+ {
+ my @tmp = $pdb ? NextPDB2CRD() : split(" ", <CRD>);
+ my @p = @tmp[-6, -5, -4];
+ @p = MV_Dot(@R, @p);
+ $x[0] = $p[0] if ($flag||($p[0]<$x[0]));
+ $x[1] = $p[0] if ($flag||($p[0]>$x[1]));
+ $y[0] = $p[1] if ($flag||($p[1]<$y[0]));
+ $y[1] = $p[1] if ($flag||($p[1]>$y[1]));
+ $z[0] = $p[2] if ($flag||($p[2]<$z[0]));
+ $z[1] = $p[2] if ($flag||($p[2]>$z[1]));
+ $flag = 0 if ($flag);
+ }
+ $L[0] = $x[1]-$x[0] if (!$L[0]);
+ $L[1] = $y[1]-$y[0] if (!$L[1]);
+ $L[2] = $z[1]-$z[0] if (!$L[2]);
+ $L[0] += $border;
+ $L[1] += $border;
+ $L[2] += $border;
+ @Center = (($x[1]+$x[0])/2, ($y[1]+$y[0])/2, ($z[1]+$z[0])/2);
+ printf("Info: recentering atoms\n") if ($info&&$center);
+ }
+
+
+ sub SetupWater
+ {
+ return if (!$water_dens);
+
+ my $dens = 1000*$water_dens; # kg/m^3
+ my $m = 0.018; # kg/mol
+ my $loh = 0.9572; # l[O-H] in [A]
+ my $s_OT = 1.7682; # CHARMM sigma [A]
+ my $ahoh = (180-104.52)/360*PI();
+ my @p = ($loh*cos($ahoh), $loh*sin($ahoh), 0);
+
+ printf("Info: creating fcc water\n") if ($info);
+ $n_water = 4; # molecules/cell
+ $nav = 6.022e23; # 1/mol
+ $v_water = $m/$nav/$dens*1e30; # water volume [A^3]
+ $r_water = $s_OT*2**(-1/6); # sigma_OT in [A]
+ @p_water = (0,0,0, @p, -$p[0],$p[1],0);
+ $v_fcc = $n_water*$v_water; # cell volume
+ $l_fcc = $v_fcc**(1/3); # cell length
+ @p_fcc = (0.00,0.00,0.00, 0.50,0.50,0.00,
+ 0.50,0.00,0.50, 0.00,0.50,0.50);
+ @n_fcc = ();
+ for (my $i=0; $i<scalar(@L); ++$i)
+ {
+ my $n = $L[$i]/$l_fcc; # calculate n_fcc
+ $n = int($n-int($n) ? $n+1 : $n); # ceil($n)
+ $L[$i] = $n*$l_fcc; # adjust box length
+ printf("Info: changed l%s to %g A\n", ("x","y","z")[$i], $L[$i])
+ if ($info);
+ push(@n_fcc, $n);
+ }
+ foreach (@p_fcc) { $_ = ($_+0.25)*$l_fcc; } # p_fcc in [A]
+ for (my $x=0; $x<$n_fcc[0]; ++$x) { # initialize flags
+ for (my $y=0; $y<$n_fcc[1]; ++$y) {
+ for (my $z=0; $z<$n_fcc[2]; ++$z) {
+ $flags_fcc[$x][$y][$z] = 15; } } } # turn on all fcc sites
+ }
+
+
+ sub floor
+ {
+ my $x = shift(@_);
+
+ return $x>0 ? int($x) : int($x)-1;
+ }
+
+
+ sub Periodic
+ {
+ my @p = splice(@_, 0, 3);
+
+ return (
+ $p[0]-floor($p[0]/$L[0]+0.5)*$L[0],
+ $p[1]-floor($p[1]/$L[1]+0.5)*$L[1],
+ $p[2]-floor($p[2]/$L[2]+0.5)*$L[2]);
+ }
+
+
+ sub EraseWater
+ {
+ my $r = shift(@_)/2;
+ my @p = splice(@_, 0, 3);
+ @p = V_Subtr(@p, @Center) if (!$center);
+ my @edges = (
+ $p[0]-$r,$p[1]-$r,$p[2]-$r, $p[0]-$r,$p[1]-$r,$p[2]+$r,
+ $p[0]-$r,$p[1]+$r,$p[2]-$r, $p[0]-$r,$p[1]+$r,$p[2]+$r,
+ $p[0]+$r,$p[1]-$r,$p[2]-$r, $p[0]+$r,$p[1]-$r,$p[2]+$r,
+ $p[0]+$r,$p[1]+$r,$p[2]-$r, $p[0]+$r,$p[1]+$r,$p[2]+$r);
+ my %list;
+ my @n;
+
+ my $d2 = ($r_water+$r)**2;
+ my @l = ($L[0]/2, $L[1]/2, $L[2]/2);
+ for (my $i=0; $i<scalar(@edges); $i+=3) # determine candidates
+ {
+ my @q = Periodic(@edges[$i, $i+1, $i+2]);
+ my @n = (int(($q[0]+$l[0])/$l_fcc),int(($q[1]+$l[1])/$l_fcc),
+ int(($q[2]+$l[2])/$l_fcc));
+ ++$list{join(" ", @n)};
+ }
+ foreach (sort(keys(%list))) # check overlap
+ {
+ my @n = split(" ");
+ my @corner = ($n[0]*$l_fcc-$l[0]+$p_water[0],
+ $n[1]*$l_fcc-$l[1]+$p_water[1],
+ $n[2]*$l_fcc-$l[2]+$p_water[2]);
+ my $bit = 1;
+ my $flags = 0;
+ for (my $i=0; $i<scalar(@p_fcc); $i+=3)
+ {
+ my @q = V_Add(@corner, @p_fcc[$i,$i+1,$i+2]);
+ my @dp = Periodic(V_Subtr(@q, @p));
+ $flags |= $bit if (V_Dot(@dp, @dp)>$d2); # turn on fcc
+ $bit *= 2;
+ }
+ $flags_fcc[$n[0]][$n[1]][$n[2]] &= $flags; # set flags
+ }
+ }
+
+
+ sub CountFCC
+ {
+ my $n = 0;
+
+ return $n_fccs = 0 if (!$water_dens);
+ for (my $x=0; $x<$n_fcc[0]; ++$x) { # count water
+ for (my $y=0; $y<$n_fcc[1]; ++$y) {
+ for (my $z=0; $z<$n_fcc[2]; ++$z) {
+ my $bit = 1;
+ my $flags = $flags_fcc[$x][$y][$z];
+ for (my $i=0; $i<$n_water; ++$i) {
+ ++$n if ($flags & $bit);
+ $bit *= 2; } } } }
+ return ($n_fccs = $n);
+ }
+
+
+ sub AddIons
+ {
+ my $n = ($n_waters = CountFCC())-int(abs($net_charge));
+
+ return if (!$ions);
+ printf("Warning: charge not neutralized: too little water\n") if ($n<0);
+ return if ($n<0);
+ printf(
+ "Warning: charge not neutralized: net charge (%g) is not an integer\n",
+ $net_charge) if ($net_charge!=int($net_charge));
+ my $n_na = $net_charge<0 ? int(abs($net_charge)) : 0;
+ my $n_cl = $net_charge>0 ? int(abs($net_charge)) : 0;
+ my $n_mol = int($ion_molar*$n*$v_water*1e-27*$nav+0.5);
+ my $n_atoms = ($n_na += $n_mol)+($n_cl += $n_mol);
+ $n_waters -= $n_atoms;
+ printf(
+ "Info: adding ions: [NaCl] = %g mol/l (%d Na+, %d Cl-)\n",
+ $n_mol/$n/$v_water/$nav/1e-27, $n_na, $n_cl) if ($info);
+ $n += int(abs($net_charge));
+ my $salt = 2**$n_water;
+ srand(time()); # seed random number
+ for (my $x=0; $x<$n_fcc[0]; ++$x) # replace water by ions
+ {
+ for (my $y=0; $y<$n_fcc[1]; ++$y)
+ {
+ for (my $z=0; $z<$n_fcc[2]; ++$z)
+ {
+ my $bit = 1;
+ my $flags = $flags_fcc[$x][$y][$z];
+ for (my $i=0; $i<$n_water; ++$i)
+ {
+ if ($flags & $bit)
+ {
+ my $prob = $n_atoms/$n;
+ --$n;
+ if (rand()<$prob)
+ {
+ my $na = rand()<$n_na/$n_atoms ? 1 : 0;
+ --$n_atoms;
+ if ($na) { --$n_na; } else { --$n_cl; }
+ $flags |= $salt*(1+$salt*$na)*$bit; # set type of ion
+ }
+ };
+ $bit *= 2;
+ }
+ $flags_fcc[$x][$y][$z] = $flags;
+ }
+ }
+ }
+ }
+
+
+# LAMMPS output
+
+ sub WriteLAMMPSHeader # print lammps header
+ {
+ printf(LAMMPS "Created by $program v$version on %s\n", `date`);
+ printf(LAMMPS "%12d atoms\n", $natoms);
+ printf(LAMMPS "%12d bonds\n", $nbonds);
+ printf(LAMMPS "%12d angles\n", $nangles);
+ printf(LAMMPS "%12d dihedrals\n", $ndihedrals);
+ printf(LAMMPS "%12d impropers\n\n", $nimpropers);
+ printf(LAMMPS "%12d atom types\n", $natom_types);
+ printf(LAMMPS "%12d bond types\n", $nbond_types);
+ printf(LAMMPS "%12d angle types\n", $nangle_types);
+ printf(LAMMPS "%12d dihedral types\n", $ndihedral_types);
+ printf(LAMMPS "%12d improper types\n\n", $nimproper_types);
+ }
+
+
+ sub WriteControlHeader
+ {
+ printf(PDB_CTRL "REMARK \n");
+ printf(PDB_CTRL "REMARK CONTROL PDB %s_ctrl.pdb\n", $project);
+ printf(PDB_CTRL "REMARK CREATED BY %s v%s ON %s",
+ $program, $version, `date`);
+ printf(PDB_CTRL "REMARK \n");
+
+ printf(PSF_CTRL "PSF\n");
+ printf(PSF_CTRL "\n");
+ printf(PSF_CTRL "%8d !NTITLE\n", 2);
+ printf(PSF_CTRL " REMARKS CONTROL PSF %s_ctrl.psf\n", $project);
+ printf(PSF_CTRL " REMARKS CREATED BY %s v%s ON %s",
+ $program, $version, `date`);
+ printf(PSF_CTRL "\n");
+ }
+
+
+ sub WriteBoxSize # print box limits
+ {
+ my @lo = V_Mult(@L[0,1,2], -1/2);
+ my @hi = V_Mult(@L[0,1,2], 1/2);
+
+ @lo = V_Add(@lo, @Center) if (!$center);
+ @hi = V_Add(@hi, @Center) if (!$center);
+ printf(LAMMPS "%12.8g %12.8g xlo xhi\n", $lo[0], $hi[0]);
+ printf(LAMMPS "%12.8g %12.8g ylo yhi\n", $lo[1], $hi[1]);
+ printf(LAMMPS "%12.8g %12.8g zlo zhi\n\n", $lo[2], $hi[2]);
+ }
+
+
+ sub WriteMasses # print mass list
+ {
+ my $k = 0;
+
+ printf(LAMMPS "Masses\n\n");
+ foreach (@types)
+ {
+ printf(LAMMPS "%8d %10.7g%s\n",
+ ++$k, $masses{$_}, $add ? " # ".$ids{$_} : "");
+ }
+ printf(LAMMPS "\n");
+ }
+
+
+ sub WriteFCCAtoms
+ {
+ my $k = shift(@_);
+ my $res = shift(@_);
+
+ return $k if (!$water_dens);
+ $k_fcc = $k+1;
+ my @id = ($symbols{OT}, $symbols{HT}, $symbols{HT},
+ $symbols{SOD}, $symbols{CLA});
+ my @par = ();
+ my @charge = (-0.834, 0.417, 0.417, 1, -1);
+ my $salt = 2**$n_water;
+ my @l = ($L[0]/2, $L[1]/2, $L[2]/2);
+ my $iwater = 0;
+ my $isalt = 0;
+ foreach(@id) { push(@par, $link{$_}); }
+ for (my $x=0; $x<$n_fcc[0]; ++$x)
+ {
+ for (my $y=0; $y<$n_fcc[1]; ++$y)
+ {
+ for (my $z=0; $z<$n_fcc[2]; ++$z)
+ {
+ my @corner = ($x*$l_fcc-$l[0], $y*$l_fcc-$l[1], $z*$l_fcc-$l[2]);
+ my $flags = $flags_fcc[$x][$y][$z];
+ my $bit = 1;
+ for (my $i=0; $i<scalar(@p_fcc); $i+=3)
+ {
+ my $pair = $bit;
+ if ($flags & $pair)
+ {
+ my @p = V_Add(@corner, @p_fcc[$i,$i+1,$i+2]);
+ my $j = 0; # print water
+ my $n = scalar(@p_water);
+ ++$res;
+ if ($flags & ($pair *= $salt)) # print salt ion
+ { # sodium if highest
+ $j = $flags & ($pair*$salt) ? 3 : 4;
+ $n = 1;
+ $counter = ++$isalt;
+ }
+ else { $counter = ++$iwater; }
+ for (my $i=0; $i<$n; $i+=3)
+ {
+ my @xyz = V_Add(@p, @p_water[$i,$i+1,$i+2]);
+ @xyz = V_Add(@xyz, @Center) if (!$center);
+ printf(LAMMPS "%8d %7d %5d %9.6g %11.8g %11.8g %11.8g%s\n",
+ ++$k, $res, $par[$j], $charge[$j], $xyz[0], $xyz[1],
+ $xyz[2], $add ? " # ".$types[$par[$j]-1] : "");
+ printf(PDB_CTRL "ATOM %6.6s %-4.4s %-3.3s %5.5s %3.3s ".
+ "%7.7s %7.7s %7.7s %5.5s %5.5s %4.4s %s\n", $k,
+ $types[$par[$j]-1], $n-1 ? "HOH" : "ION", $res, "",
+ $xyz[0], $xyz[1], $xyz[2], "1.00", "0.00", "",
+ $n-1 ? "WATR" : "SALT") if ($pdb_ctrl);
+ printf(PSF_CTRL "%8d %4.4s %-4.4s %-4.4s %-4.4s %4.4s ".
+ "%16.8e %7.7s %9.9s 0\n", $k, $n-1 ? "WATR" : "SALT",
+ $counter, $n-1 ? "HOH" : "ION", $types[$par[$j]-1], $id[$j],
+ $charge[$j], $masses{$id[$j]}, "") if ($pdb_ctrl);
+ ++$j;
+ }
+ }
+ $bit *= 2;
+ }
+ }
+ }
+ }
+ return $k;
+ }
+
+
+ sub WritePSFAtoms()
+ {
+ my $n = PSFGoto(atoms);
+ my @res = (0, 0);
+
+ printf(PSF_CTRL "%8d !NATOM\n", $n+2*$n_waters+$n_fccs);
+ while (<PSF>)
+ {
+ last if (!$n--);
+ my @psf = split(" ");
+ if ($res[1]!=$psf[2]) { ++$res[0]; $res[1] = $psf[2]; }
+ printf(PSF_CTRL "%8d %4.4s %-4.4s %-4.4s %-4.4s %-4.4s ".
+ "%16.8e %7.7s %9.9s %s\n", $psf[0], $psf[1], $res[0],
+ $psf[3], $psf[4], $psf[5], $psf[6], $psf[7], "", $psf[8]);
+ }
+ }
+
+
+ sub WriteAtoms # print positions etc.
+ {
+ my $n = PSFGoto(atoms);
+ my $k = 0;
+ my @res = (0, 0);
+
+ CRDGoto(atoms);
+ $net_charge = 0;
+ printf(LAMMPS "Atoms\n\n") if ($n>0);
+ for (my $i=0; $i<$n; ++$i)
+ {
+ my @crd = $pdb ? NextPDB2CRD() : split(" ", <CRD>);
+ my @psf = split(" ", <PSF>);
+ my @xyz = MV_Dot(@R, @crd[-6, -5, -4]);
+ @xyz = V_Subtr(@xyz, @Center) if ($center);
+ if ($crd[-2]!=$res[1]) { ++$res[0]; $res[1] = $crd[-2]; }
+ printf(LAMMPS "%8d %7d %5d %9.6g %11.7g %11.7g %11.7g%s\n", ++$k,
+ $res[0], $link{$atom_types[$k]}, $psf[6], $xyz[0], $xyz[1], $xyz[2],
+ $add ? " # ".$types[$link{$atom_types[$k]}-1] : "");
+ printf(PDB_CTRL "ATOM %6.6s %-4.4s %-4.4s %4.4s %3.3s ".
+ "%7.7s %7.7s %7.7s %5.5s %5.5s %4.4s %s\n", $k,
+ $crd[-7], $crd[-8], $res[0], "", $xyz[0], $xyz[1], $xyz[2],
+ "1.00", $crd[-1], "", $crd[-3]) if ($pdb_ctrl);
+ next if (!$water_dens); # is water added?
+ $net_charge += $psf[6];
+ my @c = split(" ", $parms[$link{$atom_types[$k]}-1]);
+ EraseWater($c[1], @xyz);
+ }
+ $net_charge = int($net_charge*1e5+($net_charge>0?0.5:-0.5))/1e5;
+ AddIons() if ($water_dens);
+ WritePSFAtoms() if ($pdb_ctrl);
+ $k = WriteFCCAtoms($k, $res[0]+$res[1]);
+ printf(PDB_CTRL "END\n") if ($pdb_ctrl);
+ printf(LAMMPS "\n");
+ return $k;
+ }
+
+
+ sub WriteParameters # print parameters
+ {
+ my $mode = shift(@_)+1;
+ my $header = ("Pair","Bond","Angle","Dihedral","Improper")[$mode];
+ my $n = (4, 2, 4, 4, 2)[$mode];
+ my $k = 0;
+
+ printf("Info: converting ".lc($mode ? $header : "Atom")."s\n") if ($info);
+ if ($mode--)
+ {
+ BondedTypes($mode);
+ BondedParameters($mode);
+ %link = CrossLink(@types);
+ CorrectDihedralParameters() if ($mode==2);
+ @parms = Delete(1, @parms) if ($mode==3);
+ }
+ return 0 if (!scalar(@parms));
+ printf(LAMMPS "%s Coeffs\n\n", $header);
+ for (my $i=0; $i<scalar(@parms); ++$i)
+ {
+ if ($parms[$i] ne "")
+ {
+ foreach (split(":", $parms[$i]))
+ {
+ my @tmp = split(" ");
+ printf(LAMMPS "%8d", ++$k);
+ for (my $j=0; $j<$n; ++$j) {
+ printf(LAMMPS " %10.7g", $j<scalar(@tmp) ? $tmp[$j] : 0); }
+ printf(LAMMPS "%s\n", $add ? " # ".$types[$i] : "");
+ }
+ } else { ++$k; }
+ }
+ printf(LAMMPS "\n");
+ return $k;
+ }
+
+
+ sub WriteFCCBonded
+ {
+ my $mode = shift(@_);
+ my $k = shift(@_);
+ my $atom = $k_fcc;
+
+ return $k if (($mode>1)||!$water_dens);
+ my $type = $mode ? CreateID(HT, OT, HT) : CreateID(HT, OT);
+ my $id = $link{$type};
+ my $salt = 2**$n_water;
+ for (my $x=0; $x<$n_fcc[0]; ++$x)
+ {
+ for (my $y=0; $y<$n_fcc[1]; ++$y)
+ {
+ for (my $z=0; $z<$n_fcc[2]; ++$z)
+ {
+ my @corner = ($x*$l_fcc-$L[0]/2, $y*$l_fcc-$L[1]/2,
+ $z*$l_fcc-$L[2]/2);
+ my $flags = $flags_fcc[$x][$y][$z];
+ my $bit = 1;
+ for (my $i=0; $i<scalar(@p_fcc); $i+=3)
+ {
+ if ($flags&$bit)
+ {
+ if ($flags&($bit*$salt)) { ++$atom; }
+ else
+ {
+ printf(LAMMPS "%8d %7d %7d %7d%s\n", ++$k, $id, $atom,
+ $atom+1, $add ? " # ".$type : "") if (!$mode);
+ printf(LAMMPS "%8d %7d %7d %7d%s\n", ++$k, $id, $atom,
+ $atom+2, $add ? " # ".$type : "") if (!$mode);
+ printf(LAMMPS "%8d %7d %7d %7d %7d%s\n", ++$k, $id, $atom+1,
+ $atom, $atom+2, $add ? " # ".$type : "") if ($mode);
+ if ($pdb_ctrl)
+ {
+ PSFWrite(2, $atom, $atom+1, $atom, $atom+2) if (!$mode);
+ PSFWrite(3, $atom+1, $atom, $atom+2) if ($mode);
+ }
+ $atom += 3;
+ }
+ }
+ $bit *= 2;
+ }
+ }
+ }
+ }
+ return $k;
+ }
+
+
+ sub WriteBonded # print bonded list
+ {
+ my $mode = shift(@_);
+ my $psf_id = ("!NBOND:", "!NTHETA:", "!NPHI:", "!NIMPHI:")[$mode];
+ my $title = ("bonds", "angles", "dihedrals", "impropers")[$mode];
+ my $items = (2, 3, 4, 4)[$mode];
+ my $n = PSFGoto($title);
+ my $k = 0;
+ my @delta;
+ my @tmp;
+
+ return 0 if ($n<1);
+ printf(LAMMPS "%s\n\n", ucfirst($title));
+ printf(PSF_CTRL "\n%8d %s %s\n", $n+($mode ? ($mode==1 ? $n_waters : 0)
+ : 2*$n_waters), $psf_id, $title) if ($pdb_ctrl);
+ $psf_ncols = 0 if ($pdb_ctrl);
+ foreach (@parms)
+ {
+ push(@delta, $k);
+ $k += scalar(split(":"))-1 if ($_ ne "");
+ }
+ $k = 0;
+ for (my $i=0; $i<$n; ++$i)
+ {
+ my @bonded = PSFGet($items);
+ my @tmp = ();
+ foreach (@bonded) { push(@tmp, $ids{$atom_types[$_]}); }
+ my $id = $link{CreateID(@tmp)}-1;
+ my $m = 0;
+ if ($parms[$id] ne "")
+ {
+ foreach (split(":", $parms[$id]))
+ {
+ ++$m;
+ my @const = split(" ");
+ next if (($const[0]==0)&&($mode==2 ? $const[-1]==0 : 1));
+ printf(LAMMPS "%8d %7d", ++$k, $id+$delta[$id]+$m);
+ foreach (@bonded) { printf(LAMMPS " %7d", $_); }
+ printf(LAMMPS "%s\n", $add ? " # ".CreateID(@tmp) : "");
+ }
+ }
+ else
+ {
+ printf(LAMMPS "%8d %7d", ++$k, $id+$delta[$id]+$m);
+ foreach (@bonded) { printf(LAMMPS " %7d", $_); }
+ printf(LAMMPS "%s\n", $add ? " # ".CreateID(@tmp) : "");
+ }
+ PSFWrite($items, @bonded) if ($pdb_ctrl);
+ }
+ $k = WriteFCCBonded($mode, $k);
+ printf(PSF_CTRL "\n") if ($pdb_ctrl && $psf_ncols);
+ printf(LAMMPS "\n");
+ return $k;
+ }
+
+
+ sub CreateCorrectedPairCoefficients
+ {
+ my $read = 0;
+ my $k = 0;
+ my %id;
+ my %type;
+
+ $coefficients = "";
+ foreach (@types) { $id{$ids{$_}} = $_; $type{$_} = ++$k; }
+ seek(PARAMETERS, 0, 0);
+ while (<PARAMETERS>)
+ {
+ chop();
+ my @cols = split(" ");
+ if ($read&&(scalar(@cols)>3)&&
+ (substr($cols[0],0,1) ne "!")&&($cols[2] lt 'A'))
+ {
+ my $id1 = $id{$cols[0]};
+ my $id2 = $id{$cols[1]};
+ if (($id1 ne "")&&($id2 ne ""))
+ {
+ my @c = (abs($cols[2]), $cols[3]*2.0**(-1/6));
+ if ($type{$id2}<$type{$id1})
+ {
+ my $tmp = $id1; $id1 = $id2; $id2 = $tmp;
+ }
+ $coefficients .= ":" if ($coefficients ne "");
+ $coefficients .= $type{$id1}." ".$type{$id2}." ";
+ $coefficients .= $c[0]." ".$c[1]." ".$c[0]." ".$c[1];
+ }
+ }
+ $read = 1 if ($cols[0] eq "NBFIX");
+ last if ($read&&!scalar(@cols));
+ }
+ }
+
+
+ sub WriteData
+ {
+ open(LAMMPS, ">$project.in"); # use .in for temporary
+ open(PDB_CTRL, ">".$project."_ctrl.pdb") if ($pdb_ctrl);
+ open(PSF_CTRL, ">".$project."_ctrl.psf") if ($pdb_ctrl);
+ WriteControlHeader() if ($pdb_ctrl);
+ ReadTopology();
+ CharacterizeBox();
+ SetupWater() if ($water_dens);
+ WriteBoxSize(); # body storage
+ @types = AtomTypes(); # atoms
+ @parms = AtomParameters(@types);
+ WriteMasses();
+ %link = CrossLink(@types);
+ CreateCorrectedPairCoefficients();
+ for (my $i=0; $i<scalar(@types); ++$i) { $types[$i] = $ids{$types[$i]}; }
+ $natom_types = WriteParameters(-1); # pairs
+ $natoms = WriteAtoms();
+ $nbond_types = WriteParameters(0); # bonds
+ $nbonds = WriteBonded(0);
+ $nangle_types = WriteParameters(1); # angles
+ $nangles = WriteBonded(1);
+ $shake = $link{CreateID(("HT", "OT", "HT"))};
+ $ndihedral_types = WriteParameters(2); # dihedrals
+ $ndihedrals = WriteBonded(2);
+ $nimproper_types = WriteParameters(3); # impropers
+ $nimpropers = WriteBonded(3);
+ close(LAMMPS); # close temp file
+ open(LAMMPS, ">$project.data"); # open data file
+ WriteLAMMPSHeader(); # header
+ open(TMP, "<$project.in"); # open temp file
+ while (<TMP>) { printf(LAMMPS "%s", $_); } # spool body
+ close(TMP); # close temp file
+ if ($pdb_ctrl)
+ {
+ #while (<PSF>) { printf(PSF_CTRL "%s", $_); }
+ close(PSF_CTRL); close(PDB_CTRL);
+ }
+ close(LAMMPS); # close data file
+ }
+
+
+ sub WriteLAMMPSInput
+ {
+ open(LAMMPS, ">$project.in"); # input file
+ printf(LAMMPS "# Created by $program v$version on %s\n", `date`);
+ printf(LAMMPS "units real\n"); # general
+ printf(LAMMPS "neigh_modify delay 2 every 1\n\n");
+ printf(LAMMPS "atom_style full\n"); # styles
+ printf(LAMMPS "bond_style harmonic\n") if ($nbond_types);
+ printf(LAMMPS "angle_style charmm\n") if ($nangle_types);
+ printf(LAMMPS "dihedral_style charmm\n") if ($ndihedral_types);
+ printf(LAMMPS "improper_style harmonic\n\n") if ($nimproper_types);
+ printf(LAMMPS "pair_style lj/charmm/coul/long 8 10\n");
+ printf(LAMMPS "pair_modify mix arithmetic\n");
+ printf(LAMMPS "kspace_style pppm 1e-4\n\n");
+ printf(LAMMPS "read_data $project.data\n\n"); # read data
+ if ($coefficients ne "") # corrected coeffs
+ {
+ foreach (split(":", $coefficients))
+ {
+ printf(LAMMPS "pair_coeff %s\n", $_);
+ }
+ printf(LAMMPS "\n");
+ }
+ printf(LAMMPS "special_bonds charmm\n"); # invoke charmm
+ printf(LAMMPS "fix 1 all nve\n");
+ printf(LAMMPS "fix 2 all shake 1e-6 500 0 m 1.0\n")
+ if ($shake eq ""); # shake all H-bonds
+ printf(LAMMPS "fix 2 all shake 1e-6 500 0 m 1.0 a %s\n",$shake)
+ if ($shake ne ""); # add water if present
+ printf(LAMMPS "velocity all create 0.0 12345678 dist uniform\n\n");
+ printf(LAMMPS "thermo 1\n"); # set thermo style
+ printf(LAMMPS "thermo_style multi\n");
+ printf(LAMMPS "timestep 0.5\n\n"); # 0.5 ps time step
+ printf(LAMMPS "restart 10 $project.restart1 $project.restart2\n");
+ printf(LAMMPS "dump 1 all atom 10 $project.dump\n");
+ printf(LAMMPS "dump_modify 1 image yes scale yes\n\n");
+ printf(LAMMPS "run 20\n"); # run for 20 time steps
+ close(LAMMPS);
+ }
+
+
+# main
+
+ Initialize();
+ WriteData();
+ WriteLAMMPSInput();
+ printf("Info: conversion complete\n\n") if ($info);
+
diff --git a/tools/ch2lmp/example/1ac7.data b/tools/ch2lmp/example/1ac7.data
new file mode 100644
index 0000000000..034d455d91
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7.data
@@ -0,0 +1,7207 @@
+Created by charmm2lammps v1.6.2 on Fri Jun 3 14:07:02 MDT 2005
+
+ 1968 atoms
+ 1516 bonds
+ 1491 angles
+ 1659 dihedrals
+ 43 impropers
+
+ 39 atom types
+ 59 bond types
+ 116 angle types
+ 216 dihedral types
+ 10 improper types
+
+ -14.087026 10.545026 xlo xhi
+ -1.8825258 22.749526 ylo yhi
+ -5.4421413 33.969141 zlo zhi
+
+Masses
+
+ 1 1.008 # HT
+ 2 1.008 # HN1
+ 3 1.008 # HN2
+ 4 1.008 # HN3
+ 5 1.008 # HN5
+ 6 1.008 # HN7
+ 7 1.008 # HN8
+ 8 1.008 # HN9
+ 9 12.011 # CN1
+ 10 12.011 # CN1T
+ 11 12.011 # CN2
+ 12 12.011 # CN3
+ 13 12.011 # CN3T
+ 14 12.011 # CN4
+ 15 12.011 # CN5
+ 16 12.011 # CN5G
+ 17 12.011 # CN7
+ 18 12.011 # CN7B
+ 19 12.011 # CN8B
+ 20 12.011 # CN9
+ 21 14.007 # NN1
+ 22 14.007 # NN2
+ 23 14.007 # NN2B
+ 24 14.007 # NN2U
+ 25 14.007 # NN2G
+ 26 14.007 # NN3
+ 27 14.007 # NN3A
+ 28 14.007 # NN3G
+ 29 14.007 # NN4
+ 30 15.9994 # OT
+ 31 15.9994 # ON1
+ 32 15.9994 # ON1C
+ 33 15.9994 # ON2
+ 34 15.9994 # ON3
+ 35 15.9994 # ON5
+ 36 15.9994 # ON6B
+ 37 30.974 # P
+ 38 22.98977 # SOD
+ 39 35.45 # CLA
+
+Pair Coeffs
+
+ 1 0.046 0.4000135 0.046 0.4000135 # HT
+ 2 0.046 0.4000135 0.046 0.4000135 # HN1
+ 3 0.046 0.4000135 0.046 0.4000135 # HN2
+ 4 0.046 1.959977 0.046 1.959977 # HN3
+ 5 0.046 0.4000135 0.046 0.4000135 # HN5
+ 6 0.022 2.351973 0.022 2.351973 # HN7
+ 7 0.028 2.387609 0.028 2.387609 # HN8
+ 8 0.024 2.387609 0.024 2.387609 # HN9
+ 9 0.1 3.385415 0.1 3.385415 # CN1
+ 10 0.1 3.385415 0.1 3.385415 # CN1T
+ 11 0.1 3.385415 0.1 3.385415 # CN2
+ 12 0.09 3.385415 0.09 3.385415 # CN3
+ 13 0.09 3.385415 0.09 3.385415 # CN3T
+ 14 0.075 3.385415 0.075 3.385415 # CN4
+ 15 0.075 3.385415 0.075 3.385415 # CN5
+ 16 0.075 3.385415 0.075 3.385415 # CN5G
+ 17 0.02 4.053589 0.01 3.385415 # CN7
+ 18 0.02 4.053589 0.01 3.385415 # CN7B
+ 19 0.056 3.581413 0.01 3.385415 # CN8B
+ 20 0.078 3.634867 0.01 3.385415 # CN9
+ 21 0.2 3.296325 0.2 3.296325 # NN1
+ 22 0.2 3.296325 0.2 3.296325 # NN2
+ 23 0.2 3.296325 0.2 3.296325 # NN2B
+ 24 0.2 3.296325 0.2 3.296325 # NN2U
+ 25 0.2 3.296325 0.2 3.296325 # NN2G
+ 26 0.2 3.296325 0.2 3.296325 # NN3
+ 27 0.2 3.296325 0.2 3.296325 # NN3A
+ 28 0.2 3.296325 0.2 3.296325 # NN3G
+ 29 0.2 3.296325 0.2 3.296325 # NN4
+ 30 0.1521 3.150574 0.1521 3.150574 # OT
+ 31 0.12 3.029056 0.12 3.029056 # ON1
+ 32 0.12 3.029056 0.12 3.029056 # ON1C
+ 33 0.1521 3.153781 0.1521 3.153781 # ON2
+ 34 0.12 3.029056 0.12 3.029056 # ON3
+ 35 0.1521 3.153781 0.1521 3.153781 # ON5
+ 36 0.1521 3.153781 0.1521 3.153781 # ON6B
+ 37 0.585 3.830864 0.585 3.830864 # P
+ 38 0.0469 2.429926 0.0469 2.429926 # SOD
+ 39 0.15 4.04468 0.15 4.04468 # CLA
+
+Atoms
+
+ 1 1 37 1.5 3.759 0.457 0.076 # P
+ 2 1 34 -0.78 2.779 0.279 0.171 # ON3
+ 3 1 34 -0.78 4.489 -0.205 0.246 # ON3
+ 4 1 33 -0.57 3.969 1.972 -0.393 # ON2
+ 5 1 19 -0.08 5.044 2.279 -1.29 # CN8B
+ 6 1 7 0.09 4.671 2.29 -2.305 # HN8
+ 7 1 7 0.09 5.816 1.501 -1.189 # HN8
+ 8 1 17 0.16 5.648 3.651 -1.028 # CN7
+ 9 1 6 0.09 6.646 3.694 -1.462 # HN7
+ 10 1 36 -0.5 4.831 4.694 -1.619 # ON6B
+ 11 1 18 0.16 4.388 5.605 -0.589 # CN7B
+ 12 1 6 0.09 4.979 6.519 -0.638 # HN7
+ 13 1 22 -0.05 2.96 5.94 -0.745 # NN2
+ 14 1 15 0.28 1.063 7.037 -0.974 # CN5
+ 15 1 29 -0.71 0.73 5.679 -1.026 # NN4
+ 16 1 14 0.34 1.887 5.123 -0.884 # CN4
+ 17 1 4 0.12 1.997 4.038 -0.875 # HN3
+ 18 1 27 -0.74 0.95 9.38 -0.971 # NN3A
+ 19 1 14 0.5 2.273 9.407 -0.803 # CN4
+ 20 1 4 0.13 2.731 10.392 -0.73 # HN3
+ 21 1 27 -0.75 3.091 8.365 -0.708 # NN3A
+ 22 1 15 0.43 2.417 7.202 -0.802 # CN5
+ 23 1 11 0.46 0.298 8.207 -1.063 # CN2
+ 24 1 21 -0.77 -1.022 8.204 -1.236 # NN1
+ 25 1 2 0.38 -1.526 9.077 -1.294 # HN1
+ 26 1 2 0.38 -1.52 7.328 -1.309 # HN1
+ 27 1 18 0.14 4.646 4.918 0.727 # CN7B
+ 28 1 6 0.09 4.989 5.649 1.459 # HN7
+ 29 1 35 -0.66 5.086 5.931 1.621 # ON5
+ 30 1 5 0.43 3.741 4.398 1.062 # HN5
+ 31 1 17 0.01 5.735 3.93 0.467 # CN7
+ 32 1 6 0.09 5.546 3.013 1.029 # HN7
+ 33 1 33 -0.57 7.011 4.478 0.823 # ON2
+ 34 2 37 1.5 7.364 4.806 2.358 # P
+ 35 2 34 -0.78 8.839 4.776 2.53 # ON3
+ 36 2 34 -0.78 6.515 3.962 3.238 # ON3
+ 37 2 33 -0.57 6.861 6.33 2.454 # ON2
+ 38 2 19 -0.08 7.276 7.297 1.48 # CN8B
+ 39 2 7 0.09 6.804 7.074 0.532 # HN8
+ 40 2 7 0.09 8.368 7.233 1.371 # HN8
+ 41 2 17 0.16 6.873 8.719 1.849 # CN7
+ 42 2 6 0.09 7.506 9.419 1.306 # HN7
+ 43 2 36 -0.5 5.486 8.978 1.507 # ON6B
+ 44 2 18 0.16 4.768 9.415 2.684 # CN7B
+ 45 2 6 0.09 4.665 10.5 2.653 # HN7
+ 46 2 23 -0.34 3.423 8.799 2.747 # NN2B
+ 47 2 12 0.17 3.266 7.442 2.852 # CN3
+ 48 2 4 0.17 4.14 6.814 2.982 # HN3
+ 49 2 10 0.51 2.337 9.639 2.626 # CN1T
+ 50 2 31 -0.41 2.458 10.86 2.552 # ON1
+ 51 2 24 -0.46 1.099 9.029 2.606 # NN2U
+ 52 2 3 0.36 0.308 9.625 2.509 # HN2
+ 53 2 9 0.5 0.851 7.673 2.697 # CN1
+ 54 2 31 -0.45 -0.302 7.243 2.661 # ON1
+ 55 2 13 -0.15 2.045 6.871 2.827 # CN3T
+ 56 2 20 -0.11 1.928 5.354 2.91 # CN9
+ 57 2 8 0.07 1.213 5.085 3.678 # HN9
+ 58 2 8 0.07 2.903 4.926 3.15 # HN9
+ 59 2 8 0.07 1.589 4.964 1.96 # HN9
+ 60 2 18 0.14 5.626 9.038 3.865 # CN7B
+ 61 2 6 0.09 5.564 9.815 4.63 # HN7
+ 62 2 35 -0.66 5.49 10.094 4.806 # ON5
+ 63 2 5 0.43 5.324 8.059 4.256 # HN5
+ 64 2 17 0.01 7.025 8.967 3.345 # CN7
+ 65 2 6 0.09 7.553 8.132 3.808 # HN7
+ 66 2 33 -0.57 7.719 10.196 3.596 # ON2
+ 67 3 37 1.5 7.98 10.697 5.1 # P
+ 68 3 34 -0.78 9.28 11.413 5.15 # ON3
+ 69 3 34 -0.78 7.737 9.569 6.034 # ON3
+ 70 3 33 -0.57 6.789 11.768 5.253 # ON2
+ 71 3 19 -0.08 6.72 12.904 4.38 # CN8B
+ 72 3 7 0.09 6.534 12.568 3.369 # HN8
+ 73 3 7 0.09 7.686 13.43 4.42 # HN8
+ 74 3 17 0.16 5.593 13.866 4.739 # CN7
+ 75 3 6 0.09 5.709 14.779 4.157 # HN7
+ 76 3 36 -0.5 4.292 13.29 4.45 # ON6B
+ 77 3 18 0.16 3.465 13.339 5.637 # CN7B
+ 78 3 6 0.09 2.791 14.192 5.565 # HN7
+ 79 3 22 -0.13 2.672 12.098 5.79 # NN2
+ 80 3 12 0.05 3.282 10.889 5.955 # CN3
+ 81 3 4 0.17 4.365 10.84 6.032 # HN3
+ 82 3 12 -0.13 2.559 9.76 6.045 # CN3
+ 83 3 4 0.07 3.039 8.789 6.164 # HN3
+ 84 3 9 0.52 1.294 12.207 5.721 # CN1
+ 85 3 32 -0.49 0.763 13.308 5.588 # ON1C
+ 86 3 26 -0.66 0.558 11.072 5.813 # NN3
+ 87 3 11 0.65 1.14 9.878 5.968 # CN2
+ 88 3 21 -0.75 0.379 8.788 6.044 # NN1
+ 89 3 2 0.37 0.806 7.88 6.157 # HN1
+ 90 3 2 0.33 -0.626 8.869 5.991 # HN1
+ 91 3 18 0.14 4.407 13.552 6.796 # CN7B
+ 92 3 6 0.09 3.94 14.214 7.534 # HN7
+ 93 3 35 -0.66 3.733 14.417 7.7 # ON5
+ 94 3 5 0.43 4.689 12.59 7.236 # HN5
+ 95 3 17 0.01 5.616 14.221 6.221 # CN7
+ 96 3 6 0.09 6.518 13.815 6.685 # HN7
+ 97 3 33 -0.57 5.555 15.639 6.408 # ON2
+ 98 4 37 1.5 5.538 16.275 7.882 # P
+ 99 4 34 -0.78 6.177 17.615 7.835 # ON3
+ 100 4 34 -0.78 6.033 15.266 8.851 # ON3
+ 101 4 33 -0.57 3.955 16.462 8.083 # ON2
+ 102 4 19 -0.08 3.157 17.011 7.025 # CN8B
+ 103 4 7 0.09 3.112 16.305 6.208 # HN8
+ 104 4 7 0.09 3.632 17.942 6.682 # HN8
+ 105 4 17 0.16 1.722 17.289 7.449 # CN7
+ 106 4 6 0.09 1.321 18.095 6.835 # HN7
+ 107 4 36 -0.5 0.888 16.113 7.28 # ON6B
+ 108 4 18 0.16 0.232 15.803 8.531 # CN7B
+ 109 4 6 0.09 -0.791 16.175 8.498 # HN7
+ 110 4 22 -0.13 0.215 14.343 8.782 # NN2
+ 111 4 12 0.05 1.375 13.644 8.967 # CN3
+ 112 4 4 0.17 2.327 14.165 8.951 # HN3
+ 113 4 12 -0.13 1.351 12.313 9.169 # CN3
+ 114 4 4 0.07 2.272 11.748 9.314 # HN3
+ 115 4 9 0.52 -1.018 13.712 8.8 # CN1
+ 116 4 32 -0.49 -2.05 14.359 8.636 # ON1C
+ 117 4 26 -0.66 -1.049 12.37 9.003 # NN3
+ 118 4 11 0.65 0.078 11.668 9.183 # CN2
+ 119 4 21 -0.75 0.01 10.348 9.372 # NN1
+ 120 4 2 0.37 0.855 9.814 9.502 # HN1
+ 121 4 2 0.33 -0.885 9.881 9.386 # HN1
+ 122 4 18 0.14 0.992 16.545 9.602 # CN7B
+ 123 4 6 0.09 0.293 16.923 10.35 # HN7
+ 124 4 35 -0.66 0.02 17 10.533 # ON5
+ 125 4 5 0.43 1.751 15.896 10.049 # HN5
+ 126 4 17 0.01 1.648 17.697 8.914 # CN7
+ 127 4 6 0.09 2.656 17.837 9.31 # HN7
+ 128 4 33 -0.57 0.881 18.892 9.085 # ON2
+ 129 5 37 1.5 0.647 19.496 10.554 # P
+ 130 5 34 -0.78 0.561 20.975 10.457 # ON3
+ 131 5 34 -0.78 1.626 18.884 11.487 # ON3
+ 132 5 33 -0.57 -0.815 18.907 10.868 # ON2
+ 133 5 19 -0.08 -1.928 19.273 10.041 # CN8B
+ 134 5 7 0.09 -1.694 19.051 9.009 # HN8
+ 135 5 7 0.09 -2.101 20.352 10.155 # HN8
+ 136 5 17 0.16 -3.2 18.507 10.381 # CN7
+ 137 5 6 0.09 -3.974 18.774 9.662 # HN7
+ 138 5 36 -0.5 -2.989 17.071 10.326 # ON6B
+ 139 5 18 0.16 -3.41 16.473 11.574 # CN7B
+ 140 5 6 0.09 -4.409 16.057 11.449 # HN7
+ 141 5 23 -0.34 -2.482 15.396 11.992 # NN2B
+ 142 5 12 0.17 -1.153 15.644 12.196 # CN3
+ 143 5 4 0.17 -0.79 16.668 12.147 # HN3
+ 144 5 10 0.51 -3 14.117 12.096 # CN1T
+ 145 5 31 -0.41 -4.196 13.881 11.943 # ON1
+ 146 5 24 -0.46 -2.094 13.117 12.403 # NN2U
+ 147 5 3 0.36 -2.449 12.182 12.472 # HN2
+ 148 5 9 0.5 -0.742 13.28 12.614 # CN1
+ 149 5 31 -0.45 -0.032 12.308 12.873 # ON1
+ 150 5 13 -0.15 -0.289 14.648 12.492 # CN3T
+ 151 5 20 -0.11 1.191 14.967 12.669 # CN9
+ 152 5 8 0.07 1.55 14.53 13.594 # HN9
+ 153 5 8 0.07 1.333 16.047 12.693 # HN9
+ 154 5 8 0.07 1.751 14.549 11.843 # HN9
+ 155 5 18 0.14 -3.465 17.594 12.579 # CN7B
+ 156 5 6 0.09 -4.306 17.435 13.264 # HN7
+ 157 5 35 -0.66 -4.58 17.322 13.417 # ON5
+ 158 5 5 0.43 -2.511 17.661 13.116 # HN5
+ 159 5 17 0.01 -3.691 18.844 11.781 # CN7
+ 160 5 6 0.09 -3.096 19.66 12.197 # HN7
+ 161 5 33 -0.57 -5.077 19.199 11.761 # ON2
+ 162 6 37 1.5 -5.692 20.169 12.882 # P
+ 163 6 34 -0.78 -6.683 21.072 12.244 # ON3
+ 164 6 34 -0.78 -4.583 20.752 13.678 # ON3
+ 165 6 33 -0.57 -6.471 19.094 13.785 # ON2
+ 166 6 19 -0.08 -7.541 18.319 13.232 # CN8B
+ 167 6 7 0.09 -7.211 17.85 12.315 # HN8
+ 168 6 7 0.09 -8.386 18.991 13.021 # HN8
+ 169 6 17 0.16 -7.985 17.203 14.162 # CN7
+ 170 6 6 0.09 -8.974 16.858 13.863 # HN7
+ 171 6 36 -0.5 -7.06 16.084 14.109 # ON6B
+ 172 6 18 0.16 -6.626 15.77 15.448 # CN7B
+ 173 6 6 0.09 -7.241 14.954 15.831 # HN7
+ 174 6 22 -0.05 -5.206 15.361 15.499 # NN2
+ 175 6 15 0.28 -3.38 14.152 15.741 # CN5
+ 176 6 29 -0.71 -2.949 15.48 15.662 # NN4
+ 177 6 14 0.34 -4.07 16.107 15.522 # CN4
+ 178 6 4 0.12 -4.1 17.19 15.422 # HN3
+ 179 6 27 -0.74 -3.441 11.818 15.931 # NN3A
+ 180 6 14 0.5 -4.769 11.882 15.816 # CN4
+ 181 6 4 0.13 -5.306 10.937 15.837 # HN3
+ 182 6 27 -0.75 -5.509 12.969 15.668 # NN3A
+ 183 6 15 0.43 -4.749 14.077 15.638 # CN5
+ 184 6 11 0.46 -2.701 12.939 15.9 # CN2
+ 185 6 21 -0.77 -1.379 12.855 16.045 # NN1
+ 186 6 2 0.38 -0.941 11.951 16.157 # HN1
+ 187 6 2 0.38 -0.816 13.693 16.045 # HN1
+ 188 6 18 0.14 -6.89 17.001 16.274 # CN7B
+ 189 6 6 0.09 -7.162 16.715 17.291 # HN7
+ 190 6 35 -0.66 -7.256 16.544 17.569 # ON5
+ 191 6 5 0.43 -6.014 17.659 16.261 # HN5
+ 192 6 17 0.01 -8.041 17.687 15.608 # CN7
+ 193 6 6 0.09 -7.903 18.77 15.646 # HN7
+ 194 6 33 -0.57 -9.285 17.318 16.221 # ON2
+ 195 7 37 1.5 -9.843 18.105 17.507 # P
+ 196 7 34 -0.78 -11.229 18.561 17.226 # ON3
+ 197 7 34 -0.78 -8.828 19.1 17.939 # ON3
+ 198 7 33 -0.57 -9.897 16.91 18.585 # ON2
+ 199 7 19 -0.08 -10.177 15.56 18.181 # CN8B
+ 200 7 7 0.09 -9.745 15.381 17.207 # HN8
+ 201 7 7 0.09 -11.27 15.426 18.114 # HN8
+ 202 7 17 0.16 -9.561 14.522 19.125 # CN7
+ 203 7 6 0.09 -10.025 13.556 18.935 # HN7
+ 204 7 36 -0.5 -8.133 14.405 18.887 # ON6B
+ 205 7 18 0.16 -7.41 14.638 20.119 # CN7B
+ 206 7 6 0.09 -7.083 13.684 20.529 # HN7
+ 207 7 23 -0.02 -6.233 15.5 19.896 # NN2B
+ 208 7 15 0.26 -4.911 15.108 19.923 # CN5
+ 209 7 21 -0.68 -2.51 12.617 20.326 # NN1
+ 210 7 2 0.32 -1.501 12.565 20.299 # HN1
+ 211 7 2 0.35 -3.053 11.785 20.505 # HN1
+ 212 7 28 -0.74 -4.458 13.854 20.155 # NN3G
+ 213 7 11 0.75 -3.123 13.783 20.119 # CN2
+ 214 7 25 -0.34 -2.305 14.867 19.874 # NN2G
+ 215 7 3 0.26 -1.305 14.73 19.867 # HN2
+ 216 7 9 0.54 -2.744 16.163 19.632 # CN1
+ 217 7 31 -0.51 -1.932 17.06 19.42 # ON1
+ 218 7 16 0 -4.162 16.248 19.668 # CN5G
+ 219 7 29 -0.6 -4.998 17.354 19.481 # NN4
+ 220 7 14 0.25 -6.168 16.829 19.63 # CN4
+ 221 7 4 0.16 -7.071 17.433 19.552 # HN3
+ 222 7 18 0.14 -8.383 15.282 21.074 # CN7B
+ 223 7 6 0.09 -8.214 14.899 22.086 # HN7
+ 224 7 35 -0.66 -8.103 14.731 22.354 # ON5
+ 225 7 5 0.43 -8.286 16.373 21.035 # HN5
+ 226 7 17 0.01 -9.744 14.878 20.608 # CN7
+ 227 7 6 0.09 -10.429 15.719 20.727 # HN7
+ 228 7 33 -0.57 -10.214 13.747 21.352 # ON2
+ 229 8 37 1.5 -10.47 13.861 22.933 # P
+ 230 8 34 -0.78 -11.662 13.049 23.287 # ON3
+ 231 8 34 -0.78 -10.423 15.292 23.326 # ON3
+ 232 8 33 -0.57 -9.152 13.125 23.489 # ON2
+ 233 8 19 -0.08 -9.105 11.695 23.588 # CN8B
+ 234 8 7 0.09 -9.468 11.262 22.666 # HN8
+ 235 8 7 0.09 -9.754 11.381 24.418 # HN8
+ 236 8 17 0.16 -7.687 11.168 23.791 # CN7
+ 237 8 6 0.09 -7.609 10.181 23.338 # HN7
+ 238 8 36 -0.5 -6.715 12.044 23.168 # ON6B
+ 239 8 18 0.16 -5.719 12.435 24.137 # CN7B
+ 240 8 6 0.09 -4.826 11.809 24 # HN7
+ 241 8 23 -0.34 -5.347 13.86 23.988 # NN2B
+ 242 8 12 0.17 -6.259 14.865 24.197 # CN3
+ 243 8 4 0.17 -7.285 14.614 24.463 # HN3
+ 244 8 10 0.51 -4.038 14.136 23.637 # CN1T
+ 245 8 31 -0.41 -3.212 13.247 23.443 # ON1
+ 246 8 24 -0.46 -3.711 15.473 23.513 # NN2U
+ 247 8 3 0.36 -2.758 15.688 23.257 # HN2
+ 248 8 9 0.5 -4.564 16.543 23.707 # CN1
+ 249 8 31 -0.45 -4.163 17.697 23.57 # ON1
+ 250 8 13 -0.15 -5.91 16.163 24.071 # CN3T
+ 251 8 20 -0.11 -6.952 17.25 24.322 # CN9
+ 252 8 8 0.07 -7.951 16.823 24.241 # HN9
+ 253 8 8 0.07 -6.834 18.044 23.584 # HN9
+ 254 8 8 0.07 -6.813 17.662 25.322 # HN9
+ 255 8 18 0.14 -6.324 12.155 25.493 # CN7B
+ 256 8 6 0.09 -5.551 11.817 26.188 # HN7
+ 257 8 35 -0.66 -5.259 11.702 26.317 # ON5
+ 258 8 5 0.43 -6.834 13.05 25.864 # HN5
+ 259 8 17 0.01 -7.326 11.065 25.272 # CN7
+ 260 8 6 0.09 -8.207 11.245 25.89 # HN7
+ 261 8 33 -0.57 -6.76 9.782 25.572 # ON2
+ 262 9 37 1.5 -6.511 9.33 27.094 # P
+ 263 9 34 -0.78 -6.391 7.851 27.145 # ON3
+ 264 9 34 -0.78 -7.505 10.007 27.965 # ON3
+ 265 9 33 -0.57 -5.064 9.98 27.352 # ON2
+ 266 9 19 -0.08 -3.88 9.385 26.799 # CN8B
+ 267 9 7 0.09 -4.151 8.5 26.239 # HN8
+ 268 9 7 0.09 -3.212 9.106 27.628 # HN8
+ 269 9 17 0.16 -3.16 10.317 25.831 # CN7
+ 270 9 6 0.09 -3.569 10.18 24.831 # HN7
+ 271 9 36 -0.5 -3.322 11.705 26.223 # ON6B
+ 272 9 18 0.16 -2.022 12.314 26.402 # CN7B
+ 273 9 6 0.09 -1.789 12.931 25.535 # HN7
+ 274 9 23 -0.34 -1.98 13.144 27.62 # NN2B
+ 275 9 12 0.17 -2.301 12.617 28.841 # CN3
+ 276 9 4 0.17 -2.602 11.572 28.91 # HN3
+ 277 9 10 0.51 -1.594 14.462 27.479 # CN1T
+ 278 9 31 -0.41 -1.304 14.946 26.388 # ON1
+ 279 9 24 -0.46 -1.55 15.208 28.642 # NN2U
+ 280 9 3 0.36 -1.266 16.173 28.556 # HN2
+ 281 9 9 0.5 -1.856 14.754 29.913 # CN1
+ 282 9 31 -0.45 -1.781 15.506 30.882 # ON1
+ 283 9 13 -0.15 -2.25 13.364 29.961 # CN3T
+ 284 9 20 -0.11 -2.613 12.733 31.301 # CN9
+ 285 9 8 0.07 -3.44 13.282 31.75 # HN9
+ 286 9 8 0.07 -1.749 12.768 31.965 # HN9
+ 287 9 8 0.07 -2.907 11.695 31.144 # HN9
+ 288 9 18 0.14 -1.031 11.183 26.492 # CN7B
+ 289 9 6 0.09 -0.104 11.461 25.976 # HN7
+ 290 9 35 -0.66 0.13 11.618 25.797 # ON5
+ 291 9 5 0.43 -0.85 10.929 27.544 # HN5
+ 292 9 17 0.01 -1.667 10.028 25.792 # CN7
+ 293 9 6 0.09 -1.452 9.104 26.331 # HN7
+ 294 9 33 -0.57 -1.201 9.937 24.447 # ON2
+ 295 10 37 1.5 -0.315 8.688 23.992 # P
+ 296 10 34 -0.78 0.551 8.277 25.125 # ON3
+ 297 10 34 -0.78 0.304 8.985 22.676 # ON3
+ 298 10 33 -0.57 -1.467 7.588 23.799 # ON2
+ 299 10 19 -0.08 -1.147 6.209 23.981 # CN8B
+ 300 10 7 0.09 -1.499 5.914 24.943 # HN8
+ 301 10 7 0.09 -0.058 6.091 23.938 # HN8
+ 302 10 17 0.16 -1.836 5.303 22.968 # CN7
+ 303 10 6 0.09 -2.067 4.345 23.431 # HN7
+ 304 10 36 -0.5 -3.058 5.912 22.482 # ON6B
+ 305 10 18 0.16 -2.814 6.401 21.156 # CN7B
+ 306 10 6 0.09 -3.405 5.82 20.462 # HN7
+ 307 10 22 -0.05 -3.245 7.804 21.056 # NN2
+ 308 10 15 0.28 -4.488 9.625 21.105 # CN5
+ 309 10 29 -0.71 -3.166 10.059 21.189 # NN4
+ 310 10 14 0.34 -2.525 8.939 21.164 # CN4
+ 311 10 4 0.12 -1.467 8.901 21.352 # HN3
+ 312 10 27 -0.74 -6.829 9.568 20.995 # NN3A
+ 313 10 14 0.5 -6.756 8.238 20.93 # CN4
+ 314 10 4 0.13 -7.703 7.703 20.862 # HN3
+ 315 10 27 -0.75 -5.655 7.493 20.942 # NN3A
+ 316 10 15 0.43 -4.547 8.257 21.031 # CN5
+ 317 10 11 0.46 -5.708 10.306 21.082 # CN2
+ 318 10 21 -0.77 -5.798 11.634 21.109 # NN1
+ 319 10 2 0.38 -4.961 12.197 21.148 # HN1
+ 320 10 2 0.38 -6.705 12.077 21.097 # HN1
+ 321 10 18 0.14 -1.353 6.163 20.832 # CN7B
+ 322 10 6 0.09 -1.255 5.812 19.797 # HN7
+ 323 10 35 -0.66 -1.304 5.706 19.487 # ON5
+ 324 10 5 0.43 -0.763 7.061 21.013 # HN5
+ 325 10 17 0.01 -0.922 5.089 21.772 # CN7
+ 326 10 6 0.09 0.123 5.233 22.05 # HN7
+ 327 10 33 -0.57 -1.116 3.794 21.2 # ON2
+ 328 11 37 1.5 -0.3 3.354 19.891 # P
+ 329 11 34 -0.78 0.097 1.93 20.024 # ON3
+ 330 11 34 -0.78 0.734 4.378 19.599 # ON3
+ 331 11 33 -0.57 -1.473 3.469 18.803 # ON2
+ 332 11 19 -0.08 -2.662 2.689 18.966 # CN8B
+ 333 11 7 0.09 -2.944 2.68 20.01 # HN8
+ 334 11 7 0.09 -2.451 1.662 18.634 # HN8
+ 335 11 17 0.16 -3.851 3.245 18.197 # CN7
+ 336 11 6 0.09 -4.766 2.847 18.632 # HN7
+ 337 11 36 -0.5 -3.901 4.696 18.258 # ON6B
+ 338 11 18 0.16 -4.03 5.228 16.919 # CN7B
+ 339 11 6 0.09 -5.08 5.439 16.719 # HN7
+ 340 11 23 -0.34 -3.239 6.466 16.744 # NN2B
+ 341 11 12 0.17 -1.881 6.47 16.918 # CN3
+ 342 11 4 0.17 -1.372 5.54 17.168 # HN3
+ 343 11 10 0.51 -3.928 7.616 16.41 # CN1T
+ 344 11 31 -0.41 -5.147 7.627 16.255 # ON1
+ 345 11 24 -0.46 -3.167 8.76 16.267 # NN2U
+ 346 11 3 0.36 -3.656 9.597 16.002 # HN2
+ 347 11 9 0.5 -1.796 8.854 16.43 # CN1
+ 348 11 31 -0.45 -1.22 9.932 16.292 # ON1
+ 349 11 13 -0.15 -1.161 7.602 16.776 # CN3T
+ 350 11 20 -0.11 0.348 7.56 16.99 # CN9
+ 351 11 8 0.07 0.804 8.445 16.55 # HN9
+ 352 11 8 0.07 0.757 6.667 16.526 # HN9
+ 353 11 8 0.07 0.561 7.538 18.049 # HN9
+ 354 11 18 0.14 -3.564 4.136 15.992 # CN7B
+ 355 11 6 0.09 -4.165 4.148 15.075 # HN7
+ 356 11 35 -0.66 -4.394 4.212 14.841 # ON5
+ 357 11 5 0.43 -2.495 4.258 15.779 # HN5
+ 358 11 17 0.01 -3.793 2.852 16.729 # CN7
+ 359 11 6 0.09 -2.953 2.176 16.559 # HN7
+ 360 11 33 -0.57 -5.015 2.233 16.322 # ON2
+ 361 12 37 1.5 -5.221 1.752 14.807 # P
+ 362 12 34 -0.78 -6.125 0.574 14.792 # ON3
+ 363 12 34 -0.78 -3.895 1.663 14.146 # ON3
+ 364 12 33 -0.57 -6.01 3.023 14.225 # ON2
+ 365 12 19 -0.08 -7.077 3.615 14.98 # CN8B
+ 366 12 7 0.09 -6.67 4.1 15.857 # HN8
+ 367 12 7 0.09 -7.769 2.818 15.287 # HN8
+ 368 12 17 0.16 -7.824 4.68 14.194 # CN7
+ 369 12 6 0.09 -8.83 4.786 14.598 # HN7
+ 370 12 36 -0.5 -7.144 5.958 14.28 # ON6B
+ 371 12 18 0.16 -6.79 6.408 12.952 # CN7B
+ 372 12 6 0.09 -7.49 7.183 12.639 # HN7
+ 373 12 22 -0.05 -5.417 6.949 12.917 # NN2
+ 374 12 15 0.28 -3.693 8.321 12.83 # CN5
+ 375 12 29 -0.71 -3.157 7.043 13.02 # NN4
+ 376 12 14 0.34 -4.226 6.316 13.057 # CN4
+ 377 12 4 0.12 -4.171 5.237 13.186 # HN3
+ 378 12 27 -0.74 -3.941 10.629 12.522 # NN3A
+ 379 12 14 0.5 -5.257 10.448 12.476 # CN4
+ 380 12 4 0.13 -5.861 11.34 12.337 # HN3
+ 381 12 27 -0.75 -5.913 9.3 12.587 # NN3A
+ 382 12 15 0.43 -5.067 8.268 12.764 # CN5
+ 383 12 11 0.46 -3.111 9.589 12.699 # CN2
+ 384 12 21 -0.77 -1.795 9.805 12.753 # NN1
+ 385 12 2 0.38 -1.162 9.032 12.894 # HN1
+ 386 12 2 0.38 -1.429 10.745 12.648 # HN1
+ 387 12 18 0.14 -6.935 5.215 12.045 # CN7B
+ 388 12 6 0.09 -7.341 5.533 11.081 # HN7
+ 389 12 35 -0.66 -7.468 5.708 10.823 # ON5
+ 390 12 5 0.43 -5.967 4.711 11.933 # HN5
+ 391 12 17 0.01 -7.909 4.308 12.721 # CN7
+ 392 12 6 0.09 -7.606 3.268 12.582 # HN7
+ 393 12 33 -0.57 -9.231 4.514 12.212 # ON2
+ 394 13 37 1.5 -9.569 4.219 10.669 # P
+ 395 13 34 -0.78 -10.964 3.722 10.568 # ON3
+ 396 13 34 -0.78 -8.467 3.416 10.078 # ON3
+ 397 13 33 -0.57 -9.502 5.712 10.074 # ON2
+ 398 13 19 -0.08 -10.262 6.771 10.674 # CN8B
+ 399 13 7 0.09 -9.915 6.931 11.687 # HN8
+ 400 13 7 0.09 -11.321 6.472 10.69 # HN8
+ 401 13 17 0.16 -10.106 8.098 9.939 # CN7
+ 402 13 6 0.09 -10.856 8.8 10.304 # HN7
+ 403 13 36 -0.5 -8.786 8.662 10.158 # ON6B
+ 404 13 18 0.16 -8.107 8.815 8.888 # CN7B
+ 405 13 6 0.09 -8.123 9.865 8.595 # HN7
+ 406 13 23 -0.02 -6.709 8.354 8.973 # NN2B
+ 407 13 15 0.26 -5.588 9.146 8.985 # CN5
+ 408 13 21 -0.68 -4.124 12.296 8.784 # NN1
+ 409 13 2 0.32 -3.184 12.667 8.819 # HN1
+ 410 13 2 0.35 -4.906 12.918 8.649 # HN1
+ 411 13 28 -0.74 -5.57 10.492 8.868 # NN3G
+ 412 13 11 0.75 -4.33 10.984 8.915 # CN2
+ 413 13 25 -0.34 -3.206 10.202 9.073 # NN2G
+ 414 13 3 0.26 -2.315 10.646 9.124 # HN2
+ 415 13 9 0.54 -3.197 8.821 9.193 # CN1
+ 416 13 31 -0.51 -2.131 8.221 9.329 # ON1
+ 417 13 16 0 -4.509 8.289 9.14 # CN5G
+ 418 13 29 -0.6 -4.941 6.963 9.22 # NN4
+ 419 13 14 0.25 -6.219 7.099 9.112 # CN4
+ 420 13 4 0.16 -6.878 6.234 9.115 # HN3
+ 421 13 18 0.14 -8.891 8.009 7.886 # CN7B
+ 422 13 6 0.09 -8.913 8.529 6.925 # HN7
+ 423 13 35 -0.66 -8.878 8.756 6.677 # ON5
+ 424 13 5 0.43 -8.46 7.004 7.796 # HN5
+ 425 13 17 0.01 -10.275 7.918 8.438 # CN7
+ 426 13 6 0.09 -10.699 6.935 8.226 # HN7
+ 427 13 33 -0.57 -11.101 8.949 7.886 # ON2
+ 428 14 37 1.5 -11.39 9.003 6.307 # P
+ 429 14 34 -0.78 -12.822 9.326 6.088 # ON3
+ 430 14 34 -0.78 -10.812 7.792 5.669 # ON3
+ 431 14 33 -0.57 -10.498 10.281 5.903 # ON2
+ 432 14 19 -0.08 -10.655 11.527 6.598 # CN8B
+ 433 14 7 0.09 -10.451 11.38 7.649 # HN8
+ 434 14 7 0.09 -11.694 11.866 6.469 # HN8
+ 435 14 17 0.16 -9.695 12.606 6.108 # CN7
+ 436 14 6 0.09 -10.002 13.566 6.522 # HN7
+ 437 14 36 -0.5 -8.331 12.331 6.524 # ON6B
+ 438 14 18 0.16 -7.466 12.306 5.364 # CN7B
+ 439 14 6 0.09 -6.929 13.252 5.293 # HN7
+ 440 14 23 -0.02 -6.496 11.197 5.439 # NN2B
+ 441 14 15 0.26 -5.13 11.309 5.503 # CN5
+ 442 14 21 -0.68 -2.272 13.284 5.569 # NN1
+ 443 14 2 0.32 -1.276 13.122 5.619 # HN1
+ 444 14 2 0.35 -2.629 14.227 5.521 # HN1
+ 445 14 28 -0.74 -4.431 12.464 5.499 # NN3G
+ 446 14 11 0.75 -3.115 12.253 5.569 # CN2
+ 447 14 25 -0.34 -2.546 11 5.639 # NN2G
+ 448 14 3 0.26 -1.553 10.927 5.697 # HN2
+ 449 14 9 0.54 -3.243 9.8 5.643 # CN1
+ 450 14 31 -0.51 -2.637 8.733 5.71 # ON1
+ 451 14 16 0 -4.64 10.014 5.568 # CN5G
+ 452 14 29 -0.6 -5.685 9.089 5.544 # NN4
+ 453 14 14 0.25 -6.712 9.862 5.468 # CN4
+ 454 14 4 0.16 -7.718 9.456 5.407 # HN3
+ 455 14 18 0.14 -8.37 12.156 4.168 # CN7B
+ 456 14 6 0.09 -7.981 12.746 3.333 # HN7
+ 457 14 35 -0.66 -7.8 12.955 3.14 # ON5
+ 458 14 5 0.43 -8.468 11.095 3.906 # HN5
+ 459 14 17 0.01 -9.699 12.699 4.588 # CN7
+ 460 14 6 0.09 -10.498 12.075 4.18 # HN7
+ 461 14 33 -0.57 -9.858 14.054 4.155 # ON2
+ 462 15 37 1.5 -9.872 14.418 2.591 # P
+ 463 15 34 -0.78 -10.717 15.621 2.385 # ON3
+ 464 15 34 -0.78 -10.159 13.187 1.811 # ON3
+ 465 15 33 -0.57 -8.329 14.822 2.384 # ON2
+ 466 15 19 -0.08 -7.757 15.905 3.132 # CN8B
+ 467 15 7 0.09 -7.679 15.62 4.173 # HN8
+ 468 15 7 0.09 -8.419 16.778 3.038 # HN8
+ 469 15 17 0.16 -6.352 16.267 2.666 # CN7
+ 470 15 6 0.09 -6.074 17.231 3.09 # HN7
+ 471 15 36 -0.5 -5.384 15.271 3.088 # ON6B
+ 472 15 18 0.16 -4.683 14.758 1.931 # CN7B
+ 473 15 6 0.09 -3.701 15.229 1.864 # HN7
+ 474 15 22 -0.05 -4.519 13.297 2.002 # NN2
+ 475 15 15 0.28 -3.661 11.277 2.155 # CN5
+ 476 15 29 -0.71 -5.037 11.096 2.004 # NN4
+ 477 15 14 0.34 -5.449 12.315 1.922 # CN4
+ 478 15 4 0.12 -6.501 12.547 1.781 # HN3
+ 479 15 27 -0.74 -1.372 10.906 2.425 # NN3A
+ 480 15 14 0.5 -1.189 12.224 2.412 # CN4
+ 481 15 4 0.13 -0.165 12.572 2.528 # HN3
+ 482 15 27 -0.75 -2.117 13.16 2.28 # NN3A
+ 483 15 15 0.43 -3.341 12.615 2.156 # CN5
+ 484 15 11 0.46 -2.6 10.384 2.299 # CN2
+ 485 15 21 -0.77 -2.755 9.059 2.312 # NN1
+ 486 15 2 0.38 -1.949 8.456 2.417 # HN1
+ 487 15 2 0.38 -3.677 8.658 2.219 # HN1
+ 488 15 18 0.14 -5.504 15.149 0.731 # CN7B
+ 489 15 6 0.09 -4.844 15.409 -0.102 # HN7
+ 490 15 35 -0.66 -4.576 15.478 -0.294 # ON5
+ 491 15 5 0.43 -6.19 14.335 0.468 # HN5
+ 492 15 17 0.01 -6.283 16.352 1.147 # CN7
+ 493 15 6 0.09 -7.289 16.303 0.726 # HN7
+ 494 15 33 -0.57 -5.624 17.548 0.722 # ON2
+ 495 16 37 1.5 -5.398 17.836 -0.841 # P
+ 496 16 34 -0.78 -5.436 19.302 -1.072 # ON3
+ 497 16 34 -0.78 -6.293 16.951 -1.628 # ON3
+ 498 16 33 -0.57 -3.882 17.322 -1.001 # ON2
+ 499 16 19 -0.08 -2.838 17.907 -0.211 # CN8B
+ 500 16 7 0.09 -2.999 17.667 0.83 # HN8
+ 501 16 7 0.09 -2.874 18.998 -0.347 # HN8
+ 502 16 17 0.16 -1.452 17.388 -0.574 # CN7
+ 503 16 6 0.09 -0.705 17.995 -0.065 # HN7
+ 504 16 36 -0.5 -1.281 16.003 -0.17 # ON6B
+ 505 16 18 0.16 -0.834 15.221 -1.3 # CN7B
+ 506 16 6 0.09 0.246 15.085 -1.238 # HN7
+ 507 16 23 -0.34 -1.493 13.897 -1.332 # NN2B
+ 508 16 12 0.17 -2.847 13.782 -1.508 # CN3
+ 509 16 4 0.17 -3.452 14.681 -1.599 # HN3
+ 510 16 10 0.51 -0.686 12.781 -1.194 # CN1T
+ 511 16 31 -0.41 0.53 12.869 -1.037 # ON1
+ 512 16 24 -0.46 -1.328 11.558 -1.246 # NN2U
+ 513 16 3 0.36 -0.76 10.742 -1.134 # HN2
+ 514 16 9 0.5 -2.685 11.356 -1.424 # CN1
+ 515 16 31 -0.45 -3.15 10.219 -1.466 # ON1
+ 516 16 13 -0.15 -3.447 12.577 -1.557 # CN3T
+ 517 16 20 -0.11 -4.957 12.501 -1.76 # CN9
+ 518 16 8 0.07 -5.422 13.407 -1.376 # HN9
+ 519 16 8 0.07 -5.352 11.634 -1.237 # HN9
+ 520 16 8 0.07 -5.176 12.408 -2.814 # HN9
+ 521 16 18 0.14 -1.16 16.036 -2.531 # CN7B
+ 522 16 6 0.09 -0.365 15.912 -3.277 # HN7
+ 523 16 35 -0.66 -0.085 15.83 -3.438 # ON5
+ 524 16 5 0.43 -2.137 15.741 -2.93 # HN5
+ 525 16 17 0.01 -1.207 17.463 -2.076 # CN7
+ 526 16 6 0.09 -2.043 17.975 -2.561 # HN7
+ 527 16 33 -0.57 0.021 18.138 -2.365 # ON2
+ 528 33 30 -0.834 -12.855423 -0.65092323 -4.2105387 # OT
+ 529 33 1 0.417 -12.098473 -0.065040954 -4.2105387 # HT
+ 530 33 1 0.417 -13.612374 -0.065040954 -4.2105387 # HT
+ 531 34 30 -0.834 -10.392218 1.8122819 -4.2105387 # OT
+ 532 34 1 0.417 -9.6352677 2.3981642 -4.2105387 # HT
+ 533 34 1 0.417 -11.149168 2.3981642 -4.2105387 # HT
+ 534 35 38 1 -10.392218 -0.65092323 -1.7473336 # SOD
+ 535 36 30 -0.834 -12.855423 1.8122819 -1.7473336 # OT
+ 536 36 1 0.417 -12.098473 2.3981642 -1.7473336 # HT
+ 537 36 1 0.417 -13.612374 2.3981642 -1.7473336 # HT
+ 538 37 30 -0.834 -12.855423 -0.65092323 0.71587161 # OT
+ 539 37 1 0.417 -12.098473 -0.065040954 0.71587161 # HT
+ 540 37 1 0.417 -13.612374 -0.065040954 0.71587161 # HT
+ 541 38 38 1 -10.392218 1.8122819 0.71587161 # SOD
+ 542 39 30 -0.834 -10.392218 -0.65092323 3.1790768 # OT
+ 543 39 1 0.417 -9.6352677 -0.065040954 3.1790768 # HT
+ 544 39 1 0.417 -11.149168 -0.065040954 3.1790768 # HT
+ 545 40 30 -0.834 -12.855423 1.8122819 3.1790768 # OT
+ 546 40 1 0.417 -12.098473 2.3981642 3.1790768 # HT
+ 547 40 1 0.417 -13.612374 2.3981642 3.1790768 # HT
+ 548 41 30 -0.834 -12.855423 -0.65092323 5.6422819 # OT
+ 549 41 1 0.417 -12.098473 -0.065040954 5.6422819 # HT
+ 550 41 1 0.417 -13.612374 -0.065040954 5.6422819 # HT
+ 551 42 30 -0.834 -10.392218 1.8122819 5.6422819 # OT
+ 552 42 1 0.417 -9.6352677 2.3981642 5.6422819 # HT
+ 553 42 1 0.417 -11.149168 2.3981642 5.6422819 # HT
+ 554 43 30 -0.834 -10.392218 -0.65092323 8.1054871 # OT
+ 555 43 1 0.417 -9.6352677 -0.065040954 8.1054871 # HT
+ 556 43 1 0.417 -11.149168 -0.065040954 8.1054871 # HT
+ 557 44 30 -0.834 -12.855423 1.8122819 8.1054871 # OT
+ 558 44 1 0.417 -12.098473 2.3981642 8.1054871 # HT
+ 559 44 1 0.417 -13.612374 2.3981642 8.1054871 # HT
+ 560 45 30 -0.834 -12.855423 -0.65092323 10.568692 # OT
+ 561 45 1 0.417 -12.098473 -0.065040954 10.568692 # HT
+ 562 45 1 0.417 -13.612374 -0.065040954 10.568692 # HT
+ 563 46 30 -0.834 -10.392218 -0.65092323 13.031897 # OT
+ 564 46 1 0.417 -9.6352677 -0.065040954 13.031897 # HT
+ 565 46 1 0.417 -11.149168 -0.065040954 13.031897 # HT
+ 566 47 30 -0.834 -12.855423 1.8122819 13.031897 # OT
+ 567 47 1 0.417 -12.098473 2.3981642 13.031897 # HT
+ 568 47 1 0.417 -13.612374 2.3981642 13.031897 # HT
+ 569 48 30 -0.834 -12.855423 -0.65092323 15.495103 # OT
+ 570 48 1 0.417 -12.098473 -0.065040954 15.495103 # HT
+ 571 48 1 0.417 -13.612374 -0.065040954 15.495103 # HT
+ 572 49 30 -0.834 -10.392218 1.8122819 15.495103 # OT
+ 573 49 1 0.417 -9.6352677 2.3981642 15.495103 # HT
+ 574 49 1 0.417 -11.149168 2.3981642 15.495103 # HT
+ 575 50 30 -0.834 -10.392218 -0.65092323 17.958308 # OT
+ 576 50 1 0.417 -9.6352677 -0.065040954 17.958308 # HT
+ 577 50 1 0.417 -11.149168 -0.065040954 17.958308 # HT
+ 578 51 30 -0.834 -12.855423 1.8122819 17.958308 # OT
+ 579 51 1 0.417 -12.098473 2.3981642 17.958308 # HT
+ 580 51 1 0.417 -13.612374 2.3981642 17.958308 # HT
+ 581 52 30 -0.834 -12.855423 -0.65092323 20.421513 # OT
+ 582 52 1 0.417 -12.098473 -0.065040954 20.421513 # HT
+ 583 52 1 0.417 -13.612374 -0.065040954 20.421513 # HT
+ 584 53 30 -0.834 -10.392218 1.8122819 20.421513 # OT
+ 585 53 1 0.417 -9.6352677 2.3981642 20.421513 # HT
+ 586 53 1 0.417 -11.149168 2.3981642 20.421513 # HT
+ 587 54 30 -0.834 -10.392218 -0.65092323 22.884718 # OT
+ 588 54 1 0.417 -9.6352677 -0.065040954 22.884718 # HT
+ 589 54 1 0.417 -11.149168 -0.065040954 22.884718 # HT
+ 590 55 30 -0.834 -12.855423 1.8122819 22.884718 # OT
+ 591 55 1 0.417 -12.098473 2.3981642 22.884718 # HT
+ 592 55 1 0.417 -13.612374 2.3981642 22.884718 # HT
+ 593 56 30 -0.834 -12.855423 -0.65092323 25.347923 # OT
+ 594 56 1 0.417 -12.098473 -0.065040954 25.347923 # HT
+ 595 56 1 0.417 -13.612374 -0.065040954 25.347923 # HT
+ 596 57 30 -0.834 -10.392218 1.8122819 25.347923 # OT
+ 597 57 1 0.417 -9.6352677 2.3981642 25.347923 # HT
+ 598 57 1 0.417 -11.149168 2.3981642 25.347923 # HT
+ 599 58 30 -0.834 -10.392218 -0.65092323 27.811128 # OT
+ 600 58 1 0.417 -9.6352677 -0.065040954 27.811128 # HT
+ 601 58 1 0.417 -11.149168 -0.065040954 27.811128 # HT
+ 602 59 30 -0.834 -12.855423 1.8122819 27.811128 # OT
+ 603 59 1 0.417 -12.098473 2.3981642 27.811128 # HT
+ 604 59 1 0.417 -13.612374 2.3981642 27.811128 # HT
+ 605 60 30 -0.834 -12.855423 -0.65092323 30.274334 # OT
+ 606 60 1 0.417 -12.098473 -0.065040954 30.274334 # HT
+ 607 60 1 0.417 -13.612374 -0.065040954 30.274334 # HT
+ 608 61 30 -0.834 -10.392218 1.8122819 30.274334 # OT
+ 609 61 1 0.417 -9.6352677 2.3981642 30.274334 # HT
+ 610 61 1 0.417 -11.149168 2.3981642 30.274334 # HT
+ 611 62 30 -0.834 -10.392218 -0.65092323 32.737539 # OT
+ 612 62 1 0.417 -9.6352677 -0.065040954 32.737539 # HT
+ 613 62 1 0.417 -11.149168 -0.065040954 32.737539 # HT
+ 614 63 30 -0.834 -12.855423 1.8122819 32.737539 # OT
+ 615 63 1 0.417 -12.098473 2.3981642 32.737539 # HT
+ 616 63 1 0.417 -13.612374 2.3981642 32.737539 # HT
+ 617 64 30 -0.834 -12.855423 4.2754871 -4.2105387 # OT
+ 618 64 1 0.417 -12.098473 4.8613694 -4.2105387 # HT
+ 619 64 1 0.417 -13.612374 4.8613694 -4.2105387 # HT
+ 620 65 30 -0.834 -10.392218 6.7386923 -4.2105387 # OT
+ 621 65 1 0.417 -9.6352677 7.3245745 -4.2105387 # HT
+ 622 65 1 0.417 -11.149168 7.3245745 -4.2105387 # HT
+ 623 66 30 -0.834 -10.392218 4.2754871 -1.7473336 # OT
+ 624 66 1 0.417 -9.6352677 4.8613694 -1.7473336 # HT
+ 625 66 1 0.417 -11.149168 4.8613694 -1.7473336 # HT
+ 626 67 30 -0.834 -12.855423 6.7386923 -1.7473336 # OT
+ 627 67 1 0.417 -12.098473 7.3245745 -1.7473336 # HT
+ 628 67 1 0.417 -13.612374 7.3245745 -1.7473336 # HT
+ 629 68 30 -0.834 -12.855423 4.2754871 0.71587161 # OT
+ 630 68 1 0.417 -12.098473 4.8613694 0.71587161 # HT
+ 631 68 1 0.417 -13.612374 4.8613694 0.71587161 # HT
+ 632 69 30 -0.834 -10.392218 6.7386923 0.71587161 # OT
+ 633 69 1 0.417 -9.6352677 7.3245745 0.71587161 # HT
+ 634 69 1 0.417 -11.149168 7.3245745 0.71587161 # HT
+ 635 70 30 -0.834 -10.392218 4.2754871 3.1790768 # OT
+ 636 70 1 0.417 -9.6352677 4.8613694 3.1790768 # HT
+ 637 70 1 0.417 -11.149168 4.8613694 3.1790768 # HT
+ 638 71 30 -0.834 -12.855423 6.7386923 3.1790768 # OT
+ 639 71 1 0.417 -12.098473 7.3245745 3.1790768 # HT
+ 640 71 1 0.417 -13.612374 7.3245745 3.1790768 # HT
+ 641 72 30 -0.834 -12.855423 4.2754871 5.6422819 # OT
+ 642 72 1 0.417 -12.098473 4.8613694 5.6422819 # HT
+ 643 72 1 0.417 -13.612374 4.8613694 5.6422819 # HT
+ 644 73 30 -0.834 -12.855423 6.7386923 13.031897 # OT
+ 645 73 1 0.417 -12.098473 7.3245745 13.031897 # HT
+ 646 73 1 0.417 -13.612374 7.3245745 13.031897 # HT
+ 647 74 30 -0.834 -12.855423 4.2754871 15.495103 # OT
+ 648 74 1 0.417 -12.098473 4.8613694 15.495103 # HT
+ 649 74 1 0.417 -13.612374 4.8613694 15.495103 # HT
+ 650 75 30 -0.834 -10.392218 4.2754871 17.958308 # OT
+ 651 75 1 0.417 -9.6352677 4.8613694 17.958308 # HT
+ 652 75 1 0.417 -11.149168 4.8613694 17.958308 # HT
+ 653 76 30 -0.834 -12.855423 6.7386923 17.958308 # OT
+ 654 76 1 0.417 -12.098473 7.3245745 17.958308 # HT
+ 655 76 1 0.417 -13.612374 7.3245745 17.958308 # HT
+ 656 77 30 -0.834 -12.855423 4.2754871 20.421513 # OT
+ 657 77 1 0.417 -12.098473 4.8613694 20.421513 # HT
+ 658 77 1 0.417 -13.612374 4.8613694 20.421513 # HT
+ 659 78 30 -0.834 -10.392218 6.7386923 20.421513 # OT
+ 660 78 1 0.417 -9.6352677 7.3245745 20.421513 # HT
+ 661 78 1 0.417 -11.149168 7.3245745 20.421513 # HT
+ 662 79 30 -0.834 -10.392218 4.2754871 22.884718 # OT
+ 663 79 1 0.417 -9.6352677 4.8613694 22.884718 # HT
+ 664 79 1 0.417 -11.149168 4.8613694 22.884718 # HT
+ 665 80 30 -0.834 -12.855423 6.7386923 22.884718 # OT
+ 666 80 1 0.417 -12.098473 7.3245745 22.884718 # HT
+ 667 80 1 0.417 -13.612374 7.3245745 22.884718 # HT
+ 668 81 30 -0.834 -12.855423 4.2754871 25.347923 # OT
+ 669 81 1 0.417 -12.098473 4.8613694 25.347923 # HT
+ 670 81 1 0.417 -13.612374 4.8613694 25.347923 # HT
+ 671 82 30 -0.834 -10.392218 6.7386923 25.347923 # OT
+ 672 82 1 0.417 -9.6352677 7.3245745 25.347923 # HT
+ 673 82 1 0.417 -11.149168 7.3245745 25.347923 # HT
+ 674 83 30 -0.834 -10.392218 4.2754871 27.811128 # OT
+ 675 83 1 0.417 -9.6352677 4.8613694 27.811128 # HT
+ 676 83 1 0.417 -11.149168 4.8613694 27.811128 # HT
+ 677 84 30 -0.834 -12.855423 6.7386923 27.811128 # OT
+ 678 84 1 0.417 -12.098473 7.3245745 27.811128 # HT
+ 679 84 1 0.417 -13.612374 7.3245745 27.811128 # HT
+ 680 85 30 -0.834 -12.855423 4.2754871 30.274334 # OT
+ 681 85 1 0.417 -12.098473 4.8613694 30.274334 # HT
+ 682 85 1 0.417 -13.612374 4.8613694 30.274334 # HT
+ 683 86 30 -0.834 -10.392218 6.7386923 30.274334 # OT
+ 684 86 1 0.417 -9.6352677 7.3245745 30.274334 # HT
+ 685 86 1 0.417 -11.149168 7.3245745 30.274334 # HT
+ 686 87 30 -0.834 -10.392218 4.2754871 32.737539 # OT
+ 687 87 1 0.417 -9.6352677 4.8613694 32.737539 # HT
+ 688 87 1 0.417 -11.149168 4.8613694 32.737539 # HT
+ 689 88 30 -0.834 -12.855423 6.7386923 32.737539 # OT
+ 690 88 1 0.417 -12.098473 7.3245745 32.737539 # HT
+ 691 88 1 0.417 -13.612374 7.3245745 32.737539 # HT
+ 692 89 30 -0.834 -12.855423 9.2018974 -4.2105387 # OT
+ 693 89 1 0.417 -12.098473 9.7877797 -4.2105387 # HT
+ 694 89 1 0.417 -13.612374 9.7877797 -4.2105387 # HT
+ 695 90 30 -0.834 -10.392218 11.665103 -4.2105387 # OT
+ 696 90 1 0.417 -9.6352677 12.250985 -4.2105387 # HT
+ 697 90 1 0.417 -11.149168 12.250985 -4.2105387 # HT
+ 698 91 30 -0.834 -10.392218 9.2018974 -1.7473336 # OT
+ 699 91 1 0.417 -9.6352677 9.7877797 -1.7473336 # HT
+ 700 91 1 0.417 -11.149168 9.7877797 -1.7473336 # HT
+ 701 92 30 -0.834 -12.855423 11.665103 -1.7473336 # OT
+ 702 92 1 0.417 -12.098473 12.250985 -1.7473336 # HT
+ 703 92 1 0.417 -13.612374 12.250985 -1.7473336 # HT
+ 704 93 30 -0.834 -12.855423 9.2018974 0.71587161 # OT
+ 705 93 1 0.417 -12.098473 9.7877797 0.71587161 # HT
+ 706 93 1 0.417 -13.612374 9.7877797 0.71587161 # HT
+ 707 94 30 -0.834 -10.392218 11.665103 10.568692 # OT
+ 708 94 1 0.417 -9.6352677 12.250985 10.568692 # HT
+ 709 94 1 0.417 -11.149168 12.250985 10.568692 # HT
+ 710 95 30 -0.834 -12.855423 11.665103 13.031897 # OT
+ 711 95 1 0.417 -12.098473 12.250985 13.031897 # HT
+ 712 95 1 0.417 -13.612374 12.250985 13.031897 # HT
+ 713 96 30 -0.834 -12.855423 9.2018974 15.495103 # OT
+ 714 96 1 0.417 -12.098473 9.7877797 15.495103 # HT
+ 715 96 1 0.417 -13.612374 9.7877797 15.495103 # HT
+ 716 97 30 -0.834 -10.392218 11.665103 15.495103 # OT
+ 717 97 1 0.417 -9.6352677 12.250985 15.495103 # HT
+ 718 97 1 0.417 -11.149168 12.250985 15.495103 # HT
+ 719 98 30 -0.834 -10.392218 9.2018974 17.958308 # OT
+ 720 98 1 0.417 -9.6352677 9.7877797 17.958308 # HT
+ 721 98 1 0.417 -11.149168 9.7877797 17.958308 # HT
+ 722 99 30 -0.834 -12.855423 11.665103 17.958308 # OT
+ 723 99 1 0.417 -12.098473 12.250985 17.958308 # HT
+ 724 99 1 0.417 -13.612374 12.250985 17.958308 # HT
+ 725 100 30 -0.834 -12.855423 9.2018974 20.421513 # OT
+ 726 100 1 0.417 -12.098473 9.7877797 20.421513 # HT
+ 727 100 1 0.417 -13.612374 9.7877797 20.421513 # HT
+ 728 101 30 -0.834 -12.855423 9.2018974 25.347923 # OT
+ 729 101 1 0.417 -12.098473 9.7877797 25.347923 # HT
+ 730 101 1 0.417 -13.612374 9.7877797 25.347923 # HT
+ 731 102 30 -0.834 -10.392218 9.2018974 27.811128 # OT
+ 732 102 1 0.417 -9.6352677 9.7877797 27.811128 # HT
+ 733 102 1 0.417 -11.149168 9.7877797 27.811128 # HT
+ 734 103 30 -0.834 -12.855423 11.665103 27.811128 # OT
+ 735 103 1 0.417 -12.098473 12.250985 27.811128 # HT
+ 736 103 1 0.417 -13.612374 12.250985 27.811128 # HT
+ 737 104 30 -0.834 -12.855423 9.2018974 30.274334 # OT
+ 738 104 1 0.417 -12.098473 9.7877797 30.274334 # HT
+ 739 104 1 0.417 -13.612374 9.7877797 30.274334 # HT
+ 740 105 30 -0.834 -10.392218 11.665103 30.274334 # OT
+ 741 105 1 0.417 -9.6352677 12.250985 30.274334 # HT
+ 742 105 1 0.417 -11.149168 12.250985 30.274334 # HT
+ 743 106 30 -0.834 -10.392218 9.2018974 32.737539 # OT
+ 744 106 1 0.417 -9.6352677 9.7877797 32.737539 # HT
+ 745 106 1 0.417 -11.149168 9.7877797 32.737539 # HT
+ 746 107 30 -0.834 -12.855423 11.665103 32.737539 # OT
+ 747 107 1 0.417 -12.098473 12.250985 32.737539 # HT
+ 748 107 1 0.417 -13.612374 12.250985 32.737539 # HT
+ 749 108 30 -0.834 -12.855423 14.128308 -4.2105387 # OT
+ 750 108 1 0.417 -12.098473 14.71419 -4.2105387 # HT
+ 751 108 1 0.417 -13.612374 14.71419 -4.2105387 # HT
+ 752 109 30 -0.834 -10.392218 16.591513 -4.2105387 # OT
+ 753 109 1 0.417 -9.6352677 17.177395 -4.2105387 # HT
+ 754 109 1 0.417 -11.149168 17.177395 -4.2105387 # HT
+ 755 110 30 -0.834 -10.392218 14.128308 -1.7473336 # OT
+ 756 110 1 0.417 -9.6352677 14.71419 -1.7473336 # HT
+ 757 110 1 0.417 -11.149168 14.71419 -1.7473336 # HT
+ 758 111 30 -0.834 -12.855423 16.591513 -1.7473336 # OT
+ 759 111 1 0.417 -12.098473 17.177395 -1.7473336 # HT
+ 760 111 1 0.417 -13.612374 17.177395 -1.7473336 # HT
+ 761 112 30 -0.834 -12.855423 16.591513 8.1054871 # OT
+ 762 112 1 0.417 -12.098473 17.177395 8.1054871 # HT
+ 763 112 1 0.417 -13.612374 17.177395 8.1054871 # HT
+ 764 113 30 -0.834 -12.855423 14.128308 10.568692 # OT
+ 765 113 1 0.417 -12.098473 14.71419 10.568692 # HT
+ 766 113 1 0.417 -13.612374 14.71419 10.568692 # HT
+ 767 114 30 -0.834 -10.392218 16.591513 10.568692 # OT
+ 768 114 1 0.417 -9.6352677 17.177395 10.568692 # HT
+ 769 114 1 0.417 -11.149168 17.177395 10.568692 # HT
+ 770 115 30 -0.834 -10.392218 14.128308 13.031897 # OT
+ 771 115 1 0.417 -9.6352677 14.71419 13.031897 # HT
+ 772 115 1 0.417 -11.149168 14.71419 13.031897 # HT
+ 773 116 30 -0.834 -12.855423 16.591513 13.031897 # OT
+ 774 116 1 0.417 -12.098473 17.177395 13.031897 # HT
+ 775 116 1 0.417 -13.612374 17.177395 13.031897 # HT
+ 776 117 30 -0.834 -12.855423 14.128308 15.495103 # OT
+ 777 117 1 0.417 -12.098473 14.71419 15.495103 # HT
+ 778 117 1 0.417 -13.612374 14.71419 15.495103 # HT
+ 779 118 30 -0.834 -10.392218 14.128308 27.811128 # OT
+ 780 118 1 0.417 -9.6352677 14.71419 27.811128 # HT
+ 781 118 1 0.417 -11.149168 14.71419 27.811128 # HT
+ 782 119 30 -0.834 -12.855423 16.591513 27.811128 # OT
+ 783 119 1 0.417 -12.098473 17.177395 27.811128 # HT
+ 784 119 1 0.417 -13.612374 17.177395 27.811128 # HT
+ 785 120 30 -0.834 -12.855423 14.128308 30.274334 # OT
+ 786 120 1 0.417 -12.098473 14.71419 30.274334 # HT
+ 787 120 1 0.417 -13.612374 14.71419 30.274334 # HT
+ 788 121 30 -0.834 -10.392218 16.591513 30.274334 # OT
+ 789 121 1 0.417 -9.6352677 17.177395 30.274334 # HT
+ 790 121 1 0.417 -11.149168 17.177395 30.274334 # HT
+ 791 122 30 -0.834 -10.392218 14.128308 32.737539 # OT
+ 792 122 1 0.417 -9.6352677 14.71419 32.737539 # HT
+ 793 122 1 0.417 -11.149168 14.71419 32.737539 # HT
+ 794 123 30 -0.834 -12.855423 16.591513 32.737539 # OT
+ 795 123 1 0.417 -12.098473 17.177395 32.737539 # HT
+ 796 123 1 0.417 -13.612374 17.177395 32.737539 # HT
+ 797 124 30 -0.834 -12.855423 19.054718 -4.2105387 # OT
+ 798 124 1 0.417 -12.098473 19.6406 -4.2105387 # HT
+ 799 124 1 0.417 -13.612374 19.6406 -4.2105387 # HT
+ 800 125 30 -0.834 -10.392218 21.517923 -4.2105387 # OT
+ 801 125 1 0.417 -9.6352677 22.103806 -4.2105387 # HT
+ 802 125 1 0.417 -11.149168 22.103806 -4.2105387 # HT
+ 803 126 30 -0.834 -10.392218 19.054718 -1.7473336 # OT
+ 804 126 1 0.417 -9.6352677 19.6406 -1.7473336 # HT
+ 805 126 1 0.417 -11.149168 19.6406 -1.7473336 # HT
+ 806 127 30 -0.834 -12.855423 21.517923 -1.7473336 # OT
+ 807 127 1 0.417 -12.098473 22.103806 -1.7473336 # HT
+ 808 127 1 0.417 -13.612374 22.103806 -1.7473336 # HT
+ 809 128 30 -0.834 -12.855423 19.054718 0.71587161 # OT
+ 810 128 1 0.417 -12.098473 19.6406 0.71587161 # HT
+ 811 128 1 0.417 -13.612374 19.6406 0.71587161 # HT
+ 812 129 30 -0.834 -10.392218 21.517923 0.71587161 # OT
+ 813 129 1 0.417 -9.6352677 22.103806 0.71587161 # HT
+ 814 129 1 0.417 -11.149168 22.103806 0.71587161 # HT
+ 815 130 30 -0.834 -10.392218 19.054718 3.1790768 # OT
+ 816 130 1 0.417 -9.6352677 19.6406 3.1790768 # HT
+ 817 130 1 0.417 -11.149168 19.6406 3.1790768 # HT
+ 818 131 30 -0.834 -12.855423 21.517923 3.1790768 # OT
+ 819 131 1 0.417 -12.098473 22.103806 3.1790768 # HT
+ 820 131 1 0.417 -13.612374 22.103806 3.1790768 # HT
+ 821 132 30 -0.834 -12.855423 19.054718 5.6422819 # OT
+ 822 132 1 0.417 -12.098473 19.6406 5.6422819 # HT
+ 823 132 1 0.417 -13.612374 19.6406 5.6422819 # HT
+ 824 133 38 1 -10.392218 21.517923 5.6422819 # SOD
+ 825 134 30 -0.834 -10.392218 19.054718 8.1054871 # OT
+ 826 134 1 0.417 -9.6352677 19.6406 8.1054871 # HT
+ 827 134 1 0.417 -11.149168 19.6406 8.1054871 # HT
+ 828 135 30 -0.834 -12.855423 21.517923 8.1054871 # OT
+ 829 135 1 0.417 -12.098473 22.103806 8.1054871 # HT
+ 830 135 1 0.417 -13.612374 22.103806 8.1054871 # HT
+ 831 136 30 -0.834 -12.855423 19.054718 10.568692 # OT
+ 832 136 1 0.417 -12.098473 19.6406 10.568692 # HT
+ 833 136 1 0.417 -13.612374 19.6406 10.568692 # HT
+ 834 137 30 -0.834 -10.392218 21.517923 10.568692 # OT
+ 835 137 1 0.417 -9.6352677 22.103806 10.568692 # HT
+ 836 137 1 0.417 -11.149168 22.103806 10.568692 # HT
+ 837 138 30 -0.834 -12.855423 21.517923 13.031897 # OT
+ 838 138 1 0.417 -12.098473 22.103806 13.031897 # HT
+ 839 138 1 0.417 -13.612374 22.103806 13.031897 # HT
+ 840 139 30 -0.834 -10.392218 21.517923 15.495103 # OT
+ 841 139 1 0.417 -9.6352677 22.103806 15.495103 # HT
+ 842 139 1 0.417 -11.149168 22.103806 15.495103 # HT
+ 843 140 30 -0.834 -12.855423 21.517923 17.958308 # OT
+ 844 140 1 0.417 -12.098473 22.103806 17.958308 # HT
+ 845 140 1 0.417 -13.612374 22.103806 17.958308 # HT
+ 846 141 30 -0.834 -12.855423 19.054718 20.421513 # OT
+ 847 141 1 0.417 -12.098473 19.6406 20.421513 # HT
+ 848 141 1 0.417 -13.612374 19.6406 20.421513 # HT
+ 849 142 30 -0.834 -10.392218 21.517923 20.421513 # OT
+ 850 142 1 0.417 -9.6352677 22.103806 20.421513 # HT
+ 851 142 1 0.417 -11.149168 22.103806 20.421513 # HT
+ 852 143 30 -0.834 -10.392218 19.054718 22.884718 # OT
+ 853 143 1 0.417 -9.6352677 19.6406 22.884718 # HT
+ 854 143 1 0.417 -11.149168 19.6406 22.884718 # HT
+ 855 144 30 -0.834 -12.855423 21.517923 22.884718 # OT
+ 856 144 1 0.417 -12.098473 22.103806 22.884718 # HT
+ 857 144 1 0.417 -13.612374 22.103806 22.884718 # HT
+ 858 145 38 1 -12.855423 19.054718 25.347923 # SOD
+ 859 146 30 -0.834 -10.392218 21.517923 25.347923 # OT
+ 860 146 1 0.417 -9.6352677 22.103806 25.347923 # HT
+ 861 146 1 0.417 -11.149168 22.103806 25.347923 # HT
+ 862 147 30 -0.834 -10.392218 19.054718 27.811128 # OT
+ 863 147 1 0.417 -9.6352677 19.6406 27.811128 # HT
+ 864 147 1 0.417 -11.149168 19.6406 27.811128 # HT
+ 865 148 38 1 -12.855423 21.517923 27.811128 # SOD
+ 866 149 30 -0.834 -12.855423 19.054718 30.274334 # OT
+ 867 149 1 0.417 -12.098473 19.6406 30.274334 # HT
+ 868 149 1 0.417 -13.612374 19.6406 30.274334 # HT
+ 869 150 30 -0.834 -10.392218 21.517923 30.274334 # OT
+ 870 150 1 0.417 -9.6352677 22.103806 30.274334 # HT
+ 871 150 1 0.417 -11.149168 22.103806 30.274334 # HT
+ 872 151 30 -0.834 -10.392218 19.054718 32.737539 # OT
+ 873 151 1 0.417 -9.6352677 19.6406 32.737539 # HT
+ 874 151 1 0.417 -11.149168 19.6406 32.737539 # HT
+ 875 152 30 -0.834 -12.855423 21.517923 32.737539 # OT
+ 876 152 1 0.417 -12.098473 22.103806 32.737539 # HT
+ 877 152 1 0.417 -13.612374 22.103806 32.737539 # HT
+ 878 153 30 -0.834 -7.9290129 -0.65092323 -4.2105387 # OT
+ 879 153 1 0.417 -7.1720626 -0.065040954 -4.2105387 # HT
+ 880 153 1 0.417 -8.6859632 -0.065040954 -4.2105387 # HT
+ 881 154 30 -0.834 -5.4658077 1.8122819 -4.2105387 # OT
+ 882 154 1 0.417 -4.7088574 2.3981642 -4.2105387 # HT
+ 883 154 1 0.417 -6.2227581 2.3981642 -4.2105387 # HT
+ 884 155 30 -0.834 -5.4658077 -0.65092323 -1.7473336 # OT
+ 885 155 1 0.417 -4.7088574 -0.065040954 -1.7473336 # HT
+ 886 155 1 0.417 -6.2227581 -0.065040954 -1.7473336 # HT
+ 887 156 30 -0.834 -7.9290129 1.8122819 -1.7473336 # OT
+ 888 156 1 0.417 -7.1720626 2.3981642 -1.7473336 # HT
+ 889 156 1 0.417 -8.6859632 2.3981642 -1.7473336 # HT
+ 890 157 30 -0.834 -7.9290129 -0.65092323 0.71587161 # OT
+ 891 157 1 0.417 -7.1720626 -0.065040954 0.71587161 # HT
+ 892 157 1 0.417 -8.6859632 -0.065040954 0.71587161 # HT
+ 893 158 30 -0.834 -5.4658077 1.8122819 0.71587161 # OT
+ 894 158 1 0.417 -4.7088574 2.3981642 0.71587161 # HT
+ 895 158 1 0.417 -6.2227581 2.3981642 0.71587161 # HT
+ 896 159 30 -0.834 -5.4658077 -0.65092323 3.1790768 # OT
+ 897 159 1 0.417 -4.7088574 -0.065040954 3.1790768 # HT
+ 898 159 1 0.417 -6.2227581 -0.065040954 3.1790768 # HT
+ 899 160 30 -0.834 -7.9290129 1.8122819 3.1790768 # OT
+ 900 160 1 0.417 -7.1720626 2.3981642 3.1790768 # HT
+ 901 160 1 0.417 -8.6859632 2.3981642 3.1790768 # HT
+ 902 161 30 -0.834 -7.9290129 -0.65092323 5.6422819 # OT
+ 903 161 1 0.417 -7.1720626 -0.065040954 5.6422819 # HT
+ 904 161 1 0.417 -8.6859632 -0.065040954 5.6422819 # HT
+ 905 162 30 -0.834 -5.4658077 1.8122819 5.6422819 # OT
+ 906 162 1 0.417 -4.7088574 2.3981642 5.6422819 # HT
+ 907 162 1 0.417 -6.2227581 2.3981642 5.6422819 # HT
+ 908 163 30 -0.834 -5.4658077 -0.65092323 8.1054871 # OT
+ 909 163 1 0.417 -4.7088574 -0.065040954 8.1054871 # HT
+ 910 163 1 0.417 -6.2227581 -0.065040954 8.1054871 # HT
+ 911 164 30 -0.834 -7.9290129 -0.65092323 10.568692 # OT
+ 912 164 1 0.417 -7.1720626 -0.065040954 10.568692 # HT
+ 913 164 1 0.417 -8.6859632 -0.065040954 10.568692 # HT
+ 914 165 30 -0.834 -5.4658077 1.8122819 10.568692 # OT
+ 915 165 1 0.417 -4.7088574 2.3981642 10.568692 # HT
+ 916 165 1 0.417 -6.2227581 2.3981642 10.568692 # HT
+ 917 166 30 -0.834 -5.4658077 -0.65092323 17.958308 # OT
+ 918 166 1 0.417 -4.7088574 -0.065040954 17.958308 # HT
+ 919 166 1 0.417 -6.2227581 -0.065040954 17.958308 # HT
+ 920 167 30 -0.834 -7.9290129 1.8122819 17.958308 # OT
+ 921 167 1 0.417 -7.1720626 2.3981642 17.958308 # HT
+ 922 167 1 0.417 -8.6859632 2.3981642 17.958308 # HT
+ 923 168 30 -0.834 -7.9290129 -0.65092323 20.421513 # OT
+ 924 168 1 0.417 -7.1720626 -0.065040954 20.421513 # HT
+ 925 168 1 0.417 -8.6859632 -0.065040954 20.421513 # HT
+ 926 169 30 -0.834 -5.4658077 -0.65092323 22.884718 # OT
+ 927 169 1 0.417 -4.7088574 -0.065040954 22.884718 # HT
+ 928 169 1 0.417 -6.2227581 -0.065040954 22.884718 # HT
+ 929 170 30 -0.834 -7.9290129 1.8122819 22.884718 # OT
+ 930 170 1 0.417 -7.1720626 2.3981642 22.884718 # HT
+ 931 170 1 0.417 -8.6859632 2.3981642 22.884718 # HT
+ 932 171 30 -0.834 -7.9290129 -0.65092323 25.347923 # OT
+ 933 171 1 0.417 -7.1720626 -0.065040954 25.347923 # HT
+ 934 171 1 0.417 -8.6859632 -0.065040954 25.347923 # HT
+ 935 172 30 -0.834 -5.4658077 1.8122819 25.347923 # OT
+ 936 172 1 0.417 -4.7088574 2.3981642 25.347923 # HT
+ 937 172 1 0.417 -6.2227581 2.3981642 25.347923 # HT
+ 938 173 30 -0.834 -5.4658077 -0.65092323 27.811128 # OT
+ 939 173 1 0.417 -4.7088574 -0.065040954 27.811128 # HT
+ 940 173 1 0.417 -6.2227581 -0.065040954 27.811128 # HT
+ 941 174 30 -0.834 -7.9290129 1.8122819 27.811128 # OT
+ 942 174 1 0.417 -7.1720626 2.3981642 27.811128 # HT
+ 943 174 1 0.417 -8.6859632 2.3981642 27.811128 # HT
+ 944 175 30 -0.834 -7.9290129 -0.65092323 30.274334 # OT
+ 945 175 1 0.417 -7.1720626 -0.065040954 30.274334 # HT
+ 946 175 1 0.417 -8.6859632 -0.065040954 30.274334 # HT
+ 947 176 30 -0.834 -5.4658077 1.8122819 30.274334 # OT
+ 948 176 1 0.417 -4.7088574 2.3981642 30.274334 # HT
+ 949 176 1 0.417 -6.2227581 2.3981642 30.274334 # HT
+ 950 177 30 -0.834 -5.4658077 -0.65092323 32.737539 # OT
+ 951 177 1 0.417 -4.7088574 -0.065040954 32.737539 # HT
+ 952 177 1 0.417 -6.2227581 -0.065040954 32.737539 # HT
+ 953 178 30 -0.834 -7.9290129 1.8122819 32.737539 # OT
+ 954 178 1 0.417 -7.1720626 2.3981642 32.737539 # HT
+ 955 178 1 0.417 -8.6859632 2.3981642 32.737539 # HT
+ 956 179 30 -0.834 -7.9290129 4.2754871 -4.2105387 # OT
+ 957 179 1 0.417 -7.1720626 4.8613694 -4.2105387 # HT
+ 958 179 1 0.417 -8.6859632 4.8613694 -4.2105387 # HT
+ 959 180 30 -0.834 -5.4658077 6.7386923 -4.2105387 # OT
+ 960 180 1 0.417 -4.7088574 7.3245745 -4.2105387 # HT
+ 961 180 1 0.417 -6.2227581 7.3245745 -4.2105387 # HT
+ 962 181 30 -0.834 -5.4658077 4.2754871 -1.7473336 # OT
+ 963 181 1 0.417 -4.7088574 4.8613694 -1.7473336 # HT
+ 964 181 1 0.417 -6.2227581 4.8613694 -1.7473336 # HT
+ 965 182 30 -0.834 -7.9290129 6.7386923 -1.7473336 # OT
+ 966 182 1 0.417 -7.1720626 7.3245745 -1.7473336 # HT
+ 967 182 1 0.417 -8.6859632 7.3245745 -1.7473336 # HT
+ 968 183 30 -0.834 -7.9290129 4.2754871 0.71587161 # OT
+ 969 183 1 0.417 -7.1720626 4.8613694 0.71587161 # HT
+ 970 183 1 0.417 -8.6859632 4.8613694 0.71587161 # HT
+ 971 184 30 -0.834 -5.4658077 6.7386923 0.71587161 # OT
+ 972 184 1 0.417 -4.7088574 7.3245745 0.71587161 # HT
+ 973 184 1 0.417 -6.2227581 7.3245745 0.71587161 # HT
+ 974 185 30 -0.834 -5.4658077 4.2754871 3.1790768 # OT
+ 975 185 1 0.417 -4.7088574 4.8613694 3.1790768 # HT
+ 976 185 1 0.417 -6.2227581 4.8613694 3.1790768 # HT
+ 977 186 30 -0.834 -7.9290129 6.7386923 3.1790768 # OT
+ 978 186 1 0.417 -7.1720626 7.3245745 3.1790768 # HT
+ 979 186 1 0.417 -8.6859632 7.3245745 3.1790768 # HT
+ 980 187 30 -0.834 -7.9290129 4.2754871 5.6422819 # OT
+ 981 187 1 0.417 -7.1720626 4.8613694 5.6422819 # HT
+ 982 187 1 0.417 -8.6859632 4.8613694 5.6422819 # HT
+ 983 188 30 -0.834 -7.9290129 6.7386923 17.958308 # OT
+ 984 188 1 0.417 -7.1720626 7.3245745 17.958308 # HT
+ 985 188 1 0.417 -8.6859632 7.3245745 17.958308 # HT
+ 986 189 30 -0.834 -7.9290129 4.2754871 20.421513 # OT
+ 987 189 1 0.417 -7.1720626 4.8613694 20.421513 # HT
+ 988 189 1 0.417 -8.6859632 4.8613694 20.421513 # HT
+ 989 190 30 -0.834 -7.9290129 4.2754871 25.347923 # OT
+ 990 190 1 0.417 -7.1720626 4.8613694 25.347923 # HT
+ 991 190 1 0.417 -8.6859632 4.8613694 25.347923 # HT
+ 992 191 30 -0.834 -5.4658077 4.2754871 27.811128 # OT
+ 993 191 1 0.417 -4.7088574 4.8613694 27.811128 # HT
+ 994 191 1 0.417 -6.2227581 4.8613694 27.811128 # HT
+ 995 192 30 -0.834 -7.9290129 4.2754871 30.274334 # OT
+ 996 192 1 0.417 -7.1720626 4.8613694 30.274334 # HT
+ 997 192 1 0.417 -8.6859632 4.8613694 30.274334 # HT
+ 998 193 30 -0.834 -5.4658077 6.7386923 30.274334 # OT
+ 999 193 1 0.417 -4.7088574 7.3245745 30.274334 # HT
+ 1000 193 1 0.417 -6.2227581 7.3245745 30.274334 # HT
+ 1001 194 30 -0.834 -5.4658077 4.2754871 32.737539 # OT
+ 1002 194 1 0.417 -4.7088574 4.8613694 32.737539 # HT
+ 1003 194 1 0.417 -6.2227581 4.8613694 32.737539 # HT
+ 1004 195 30 -0.834 -7.9290129 6.7386923 32.737539 # OT
+ 1005 195 1 0.417 -7.1720626 7.3245745 32.737539 # HT
+ 1006 195 1 0.417 -8.6859632 7.3245745 32.737539 # HT
+ 1007 196 30 -0.834 -7.9290129 9.2018974 -4.2105387 # OT
+ 1008 196 1 0.417 -7.1720626 9.7877797 -4.2105387 # HT
+ 1009 196 1 0.417 -8.6859632 9.7877797 -4.2105387 # HT
+ 1010 197 38 1 -7.9290129 9.2018974 0.71587161 # SOD
+ 1011 198 30 -0.834 -7.9290129 9.2018974 15.495103 # OT
+ 1012 198 1 0.417 -7.1720626 9.7877797 15.495103 # HT
+ 1013 198 1 0.417 -8.6859632 9.7877797 15.495103 # HT
+ 1014 199 30 -0.834 -5.4658077 9.2018974 32.737539 # OT
+ 1015 199 1 0.417 -4.7088574 9.7877797 32.737539 # HT
+ 1016 199 1 0.417 -6.2227581 9.7877797 32.737539 # HT
+ 1017 200 30 -0.834 -7.9290129 11.665103 32.737539 # OT
+ 1018 200 1 0.417 -7.1720626 12.250985 32.737539 # HT
+ 1019 200 1 0.417 -8.6859632 12.250985 32.737539 # HT
+ 1020 201 30 -0.834 -7.9290129 14.128308 -4.2105387 # OT
+ 1021 201 1 0.417 -7.1720626 14.71419 -4.2105387 # HT
+ 1022 201 1 0.417 -8.6859632 14.71419 -4.2105387 # HT
+ 1023 202 30 -0.834 -7.9290129 16.591513 8.1054871 # OT
+ 1024 202 1 0.417 -7.1720626 17.177395 8.1054871 # HT
+ 1025 202 1 0.417 -8.6859632 17.177395 8.1054871 # HT
+ 1026 203 30 -0.834 -7.9290129 14.128308 10.568692 # OT
+ 1027 203 1 0.417 -7.1720626 14.71419 10.568692 # HT
+ 1028 203 1 0.417 -8.6859632 14.71419 10.568692 # HT
+ 1029 204 30 -0.834 -7.9290129 16.591513 27.811128 # OT
+ 1030 204 1 0.417 -7.1720626 17.177395 27.811128 # HT
+ 1031 204 1 0.417 -8.6859632 17.177395 27.811128 # HT
+ 1032 205 30 -0.834 -7.9290129 14.128308 30.274334 # OT
+ 1033 205 1 0.417 -7.1720626 14.71419 30.274334 # HT
+ 1034 205 1 0.417 -8.6859632 14.71419 30.274334 # HT
+ 1035 206 30 -0.834 -5.4658077 16.591513 30.274334 # OT
+ 1036 206 1 0.417 -4.7088574 17.177395 30.274334 # HT
+ 1037 206 1 0.417 -6.2227581 17.177395 30.274334 # HT
+ 1038 207 30 -0.834 -7.9290129 16.591513 32.737539 # OT
+ 1039 207 1 0.417 -7.1720626 17.177395 32.737539 # HT
+ 1040 207 1 0.417 -8.6859632 17.177395 32.737539 # HT
+ 1041 208 30 -0.834 -7.9290129 19.054718 -4.2105387 # OT
+ 1042 208 1 0.417 -7.1720626 19.6406 -4.2105387 # HT
+ 1043 208 1 0.417 -8.6859632 19.6406 -4.2105387 # HT
+ 1044 209 30 -0.834 -5.4658077 21.517923 -4.2105387 # OT
+ 1045 209 1 0.417 -4.7088574 22.103806 -4.2105387 # HT
+ 1046 209 1 0.417 -6.2227581 22.103806 -4.2105387 # HT
+ 1047 210 30 -0.834 -7.9290129 21.517923 -1.7473336 # OT
+ 1048 210 1 0.417 -7.1720626 22.103806 -1.7473336 # HT
+ 1049 210 1 0.417 -8.6859632 22.103806 -1.7473336 # HT
+ 1050 211 30 -0.834 -7.9290129 21.517923 3.1790768 # OT
+ 1051 211 1 0.417 -7.1720626 22.103806 3.1790768 # HT
+ 1052 211 1 0.417 -8.6859632 22.103806 3.1790768 # HT
+ 1053 212 30 -0.834 -7.9290129 19.054718 5.6422819 # OT
+ 1054 212 1 0.417 -7.1720626 19.6406 5.6422819 # HT
+ 1055 212 1 0.417 -8.6859632 19.6406 5.6422819 # HT
+ 1056 213 30 -0.834 -5.4658077 21.517923 5.6422819 # OT
+ 1057 213 1 0.417 -4.7088574 22.103806 5.6422819 # HT
+ 1058 213 1 0.417 -6.2227581 22.103806 5.6422819 # HT
+ 1059 214 30 -0.834 -7.9290129 21.517923 8.1054871 # OT
+ 1060 214 1 0.417 -7.1720626 22.103806 8.1054871 # HT
+ 1061 214 1 0.417 -8.6859632 22.103806 8.1054871 # HT
+ 1062 215 38 1 -5.4658077 21.517923 20.421513 # SOD
+ 1063 216 30 -0.834 -7.9290129 21.517923 22.884718 # OT
+ 1064 216 1 0.417 -7.1720626 22.103806 22.884718 # HT
+ 1065 216 1 0.417 -8.6859632 22.103806 22.884718 # HT
+ 1066 217 30 -0.834 -5.4658077 21.517923 25.347923 # OT
+ 1067 217 1 0.417 -4.7088574 22.103806 25.347923 # HT
+ 1068 217 1 0.417 -6.2227581 22.103806 25.347923 # HT
+ 1069 218 30 -0.834 -5.4658077 19.054718 27.811128 # OT
+ 1070 218 1 0.417 -4.7088574 19.6406 27.811128 # HT
+ 1071 218 1 0.417 -6.2227581 19.6406 27.811128 # HT
+ 1072 219 30 -0.834 -7.9290129 21.517923 27.811128 # OT
+ 1073 219 1 0.417 -7.1720626 22.103806 27.811128 # HT
+ 1074 219 1 0.417 -8.6859632 22.103806 27.811128 # HT
+ 1075 220 30 -0.834 -7.9290129 19.054718 30.274334 # OT
+ 1076 220 1 0.417 -7.1720626 19.6406 30.274334 # HT
+ 1077 220 1 0.417 -8.6859632 19.6406 30.274334 # HT
+ 1078 221 30 -0.834 -5.4658077 21.517923 30.274334 # OT
+ 1079 221 1 0.417 -4.7088574 22.103806 30.274334 # HT
+ 1080 221 1 0.417 -6.2227581 22.103806 30.274334 # HT
+ 1081 222 30 -0.834 -5.4658077 19.054718 32.737539 # OT
+ 1082 222 1 0.417 -4.7088574 19.6406 32.737539 # HT
+ 1083 222 1 0.417 -6.2227581 19.6406 32.737539 # HT
+ 1084 223 30 -0.834 -7.9290129 21.517923 32.737539 # OT
+ 1085 223 1 0.417 -7.1720626 22.103806 32.737539 # HT
+ 1086 223 1 0.417 -8.6859632 22.103806 32.737539 # HT
+ 1087 224 30 -0.834 -3.0026026 -0.65092323 -4.2105387 # OT
+ 1088 224 1 0.417 -2.2456523 -0.065040954 -4.2105387 # HT
+ 1089 224 1 0.417 -3.7595529 -0.065040954 -4.2105387 # HT
+ 1090 225 30 -0.834 -0.53939742 1.8122819 -4.2105387 # OT
+ 1091 225 1 0.417 0.21755291 2.3981642 -4.2105387 # HT
+ 1092 225 1 0.417 -1.2963477 2.3981642 -4.2105387 # HT
+ 1093 226 30 -0.834 -0.53939742 -0.65092323 -1.7473336 # OT
+ 1094 226 1 0.417 0.21755291 -0.065040954 -1.7473336 # HT
+ 1095 226 1 0.417 -1.2963477 -0.065040954 -1.7473336 # HT
+ 1096 227 30 -0.834 -3.0026026 1.8122819 -1.7473336 # OT
+ 1097 227 1 0.417 -2.2456523 2.3981642 -1.7473336 # HT
+ 1098 227 1 0.417 -3.7595529 2.3981642 -1.7473336 # HT
+ 1099 228 30 -0.834 -3.0026026 -0.65092323 0.71587161 # OT
+ 1100 228 1 0.417 -2.2456523 -0.065040954 0.71587161 # HT
+ 1101 228 1 0.417 -3.7595529 -0.065040954 0.71587161 # HT
+ 1102 229 30 -0.834 -0.53939742 1.8122819 0.71587161 # OT
+ 1103 229 1 0.417 0.21755291 2.3981642 0.71587161 # HT
+ 1104 229 1 0.417 -1.2963477 2.3981642 0.71587161 # HT
+ 1105 230 30 -0.834 -0.53939742 -0.65092323 3.1790768 # OT
+ 1106 230 1 0.417 0.21755291 -0.065040954 3.1790768 # HT
+ 1107 230 1 0.417 -1.2963477 -0.065040954 3.1790768 # HT
+ 1108 231 30 -0.834 -3.0026026 1.8122819 3.1790768 # OT
+ 1109 231 1 0.417 -2.2456523 2.3981642 3.1790768 # HT
+ 1110 231 1 0.417 -3.7595529 2.3981642 3.1790768 # HT
+ 1111 232 30 -0.834 -3.0026026 -0.65092323 5.6422819 # OT
+ 1112 232 1 0.417 -2.2456523 -0.065040954 5.6422819 # HT
+ 1113 232 1 0.417 -3.7595529 -0.065040954 5.6422819 # HT
+ 1114 233 30 -0.834 -0.53939742 1.8122819 5.6422819 # OT
+ 1115 233 1 0.417 0.21755291 2.3981642 5.6422819 # HT
+ 1116 233 1 0.417 -1.2963477 2.3981642 5.6422819 # HT
+ 1117 234 30 -0.834 -0.53939742 -0.65092323 8.1054871 # OT
+ 1118 234 1 0.417 0.21755291 -0.065040954 8.1054871 # HT
+ 1119 234 1 0.417 -1.2963477 -0.065040954 8.1054871 # HT
+ 1120 235 30 -0.834 -3.0026026 1.8122819 8.1054871 # OT
+ 1121 235 1 0.417 -2.2456523 2.3981642 8.1054871 # HT
+ 1122 235 1 0.417 -3.7595529 2.3981642 8.1054871 # HT
+ 1123 236 30 -0.834 -3.0026026 -0.65092323 10.568692 # OT
+ 1124 236 1 0.417 -2.2456523 -0.065040954 10.568692 # HT
+ 1125 236 1 0.417 -3.7595529 -0.065040954 10.568692 # HT
+ 1126 237 30 -0.834 -0.53939742 1.8122819 10.568692 # OT
+ 1127 237 1 0.417 0.21755291 2.3981642 10.568692 # HT
+ 1128 237 1 0.417 -1.2963477 2.3981642 10.568692 # HT
+ 1129 238 30 -0.834 -0.53939742 -0.65092323 13.031897 # OT
+ 1130 238 1 0.417 0.21755291 -0.065040954 13.031897 # HT
+ 1131 238 1 0.417 -1.2963477 -0.065040954 13.031897 # HT
+ 1132 239 30 -0.834 -0.53939742 -0.65092323 17.958308 # OT
+ 1133 239 1 0.417 0.21755291 -0.065040954 17.958308 # HT
+ 1134 239 1 0.417 -1.2963477 -0.065040954 17.958308 # HT
+ 1135 240 30 -0.834 -3.0026026 -0.65092323 20.421513 # OT
+ 1136 240 1 0.417 -2.2456523 -0.065040954 20.421513 # HT
+ 1137 240 1 0.417 -3.7595529 -0.065040954 20.421513 # HT
+ 1138 241 30 -0.834 -0.53939742 -0.65092323 22.884718 # OT
+ 1139 241 1 0.417 0.21755291 -0.065040954 22.884718 # HT
+ 1140 241 1 0.417 -1.2963477 -0.065040954 22.884718 # HT
+ 1141 242 30 -0.834 -3.0026026 1.8122819 22.884718 # OT
+ 1142 242 1 0.417 -2.2456523 2.3981642 22.884718 # HT
+ 1143 242 1 0.417 -3.7595529 2.3981642 22.884718 # HT
+ 1144 243 30 -0.834 -3.0026026 -0.65092323 25.347923 # OT
+ 1145 243 1 0.417 -2.2456523 -0.065040954 25.347923 # HT
+ 1146 243 1 0.417 -3.7595529 -0.065040954 25.347923 # HT
+ 1147 244 30 -0.834 -0.53939742 1.8122819 25.347923 # OT
+ 1148 244 1 0.417 0.21755291 2.3981642 25.347923 # HT
+ 1149 244 1 0.417 -1.2963477 2.3981642 25.347923 # HT
+ 1150 245 30 -0.834 -0.53939742 -0.65092323 27.811128 # OT
+ 1151 245 1 0.417 0.21755291 -0.065040954 27.811128 # HT
+ 1152 245 1 0.417 -1.2963477 -0.065040954 27.811128 # HT
+ 1153 246 30 -0.834 -3.0026026 1.8122819 27.811128 # OT
+ 1154 246 1 0.417 -2.2456523 2.3981642 27.811128 # HT
+ 1155 246 1 0.417 -3.7595529 2.3981642 27.811128 # HT
+ 1156 247 30 -0.834 -3.0026026 -0.65092323 30.274334 # OT
+ 1157 247 1 0.417 -2.2456523 -0.065040954 30.274334 # HT
+ 1158 247 1 0.417 -3.7595529 -0.065040954 30.274334 # HT
+ 1159 248 30 -0.834 -0.53939742 1.8122819 30.274334 # OT
+ 1160 248 1 0.417 0.21755291 2.3981642 30.274334 # HT
+ 1161 248 1 0.417 -1.2963477 2.3981642 30.274334 # HT
+ 1162 249 30 -0.834 -0.53939742 -0.65092323 32.737539 # OT
+ 1163 249 1 0.417 0.21755291 -0.065040954 32.737539 # HT
+ 1164 249 1 0.417 -1.2963477 -0.065040954 32.737539 # HT
+ 1165 250 30 -0.834 -3.0026026 1.8122819 32.737539 # OT
+ 1166 250 1 0.417 -2.2456523 2.3981642 32.737539 # HT
+ 1167 250 1 0.417 -3.7595529 2.3981642 32.737539 # HT
+ 1168 251 30 -0.834 -3.0026026 4.2754871 -4.2105387 # OT
+ 1169 251 1 0.417 -2.2456523 4.8613694 -4.2105387 # HT
+ 1170 251 1 0.417 -3.7595529 4.8613694 -4.2105387 # HT
+ 1171 252 30 -0.834 -0.53939742 6.7386923 -4.2105387 # OT
+ 1172 252 1 0.417 0.21755291 7.3245745 -4.2105387 # HT
+ 1173 252 1 0.417 -1.2963477 7.3245745 -4.2105387 # HT
+ 1174 253 30 -0.834 -3.0026026 4.2754871 0.71587161 # OT
+ 1175 253 1 0.417 -2.2456523 4.8613694 0.71587161 # HT
+ 1176 253 1 0.417 -3.7595529 4.8613694 0.71587161 # HT
+ 1177 254 30 -0.834 -3.0026026 4.2754871 5.6422819 # OT
+ 1178 254 1 0.417 -2.2456523 4.8613694 5.6422819 # HT
+ 1179 254 1 0.417 -3.7595529 4.8613694 5.6422819 # HT
+ 1180 255 30 -0.834 -0.53939742 4.2754871 8.1054871 # OT
+ 1181 255 1 0.417 0.21755291 4.8613694 8.1054871 # HT
+ 1182 255 1 0.417 -1.2963477 4.8613694 8.1054871 # HT
+ 1183 256 30 -0.834 -3.0026026 4.2754871 10.568692 # OT
+ 1184 256 1 0.417 -2.2456523 4.8613694 10.568692 # HT
+ 1185 256 1 0.417 -3.7595529 4.8613694 10.568692 # HT
+ 1186 257 30 -0.834 -0.53939742 4.2754871 13.031897 # OT
+ 1187 257 1 0.417 0.21755291 4.8613694 13.031897 # HT
+ 1188 257 1 0.417 -1.2963477 4.8613694 13.031897 # HT
+ 1189 258 30 -0.834 -0.53939742 4.2754871 27.811128 # OT
+ 1190 258 1 0.417 0.21755291 4.8613694 27.811128 # HT
+ 1191 258 1 0.417 -1.2963477 4.8613694 27.811128 # HT
+ 1192 259 30 -0.834 -3.0026026 4.2754871 30.274334 # OT
+ 1193 259 1 0.417 -2.2456523 4.8613694 30.274334 # HT
+ 1194 259 1 0.417 -3.7595529 4.8613694 30.274334 # HT
+ 1195 260 30 -0.834 -0.53939742 6.7386923 30.274334 # OT
+ 1196 260 1 0.417 0.21755291 7.3245745 30.274334 # HT
+ 1197 260 1 0.417 -1.2963477 7.3245745 30.274334 # HT
+ 1198 261 30 -0.834 -0.53939742 4.2754871 32.737539 # OT
+ 1199 261 1 0.417 0.21755291 4.8613694 32.737539 # HT
+ 1200 261 1 0.417 -1.2963477 4.8613694 32.737539 # HT
+ 1201 262 30 -0.834 -3.0026026 6.7386923 32.737539 # OT
+ 1202 262 1 0.417 -2.2456523 7.3245745 32.737539 # HT
+ 1203 262 1 0.417 -3.7595529 7.3245745 32.737539 # HT
+ 1204 263 30 -0.834 -0.53939742 9.2018974 32.737539 # OT
+ 1205 263 1 0.417 0.21755291 9.7877797 32.737539 # HT
+ 1206 263 1 0.417 -1.2963477 9.7877797 32.737539 # HT
+ 1207 264 30 -0.834 -0.53939742 21.517923 -4.2105387 # OT
+ 1208 264 1 0.417 0.21755291 22.103806 -4.2105387 # HT
+ 1209 264 1 0.417 -1.2963477 22.103806 -4.2105387 # HT
+ 1210 265 30 -0.834 -3.0026026 21.517923 -1.7473336 # OT
+ 1211 265 1 0.417 -2.2456523 22.103806 -1.7473336 # HT
+ 1212 265 1 0.417 -3.7595529 22.103806 -1.7473336 # HT
+ 1213 266 30 -0.834 -0.53939742 21.517923 0.71587161 # OT
+ 1214 266 1 0.417 0.21755291 22.103806 0.71587161 # HT
+ 1215 266 1 0.417 -1.2963477 22.103806 0.71587161 # HT
+ 1216 267 30 -0.834 -0.53939742 19.054718 3.1790768 # OT
+ 1217 267 1 0.417 0.21755291 19.6406 3.1790768 # HT
+ 1218 267 1 0.417 -1.2963477 19.6406 3.1790768 # HT
+ 1219 268 30 -0.834 -3.0026026 21.517923 3.1790768 # OT
+ 1220 268 1 0.417 -2.2456523 22.103806 3.1790768 # HT
+ 1221 268 1 0.417 -3.7595529 22.103806 3.1790768 # HT
+ 1222 269 30 -0.834 -3.0026026 19.054718 5.6422819 # OT
+ 1223 269 1 0.417 -2.2456523 19.6406 5.6422819 # HT
+ 1224 269 1 0.417 -3.7595529 19.6406 5.6422819 # HT
+ 1225 270 30 -0.834 -0.53939742 21.517923 5.6422819 # OT
+ 1226 270 1 0.417 0.21755291 22.103806 5.6422819 # HT
+ 1227 270 1 0.417 -1.2963477 22.103806 5.6422819 # HT
+ 1228 271 30 -0.834 -0.53939742 21.517923 15.495103 # OT
+ 1229 271 1 0.417 0.21755291 22.103806 15.495103 # HT
+ 1230 271 1 0.417 -1.2963477 22.103806 15.495103 # HT
+ 1231 272 30 -0.834 -3.0026026 21.517923 17.958308 # OT
+ 1232 272 1 0.417 -2.2456523 22.103806 17.958308 # HT
+ 1233 272 1 0.417 -3.7595529 22.103806 17.958308 # HT
+ 1234 273 30 -0.834 -0.53939742 21.517923 20.421513 # OT
+ 1235 273 1 0.417 0.21755291 22.103806 20.421513 # HT
+ 1236 273 1 0.417 -1.2963477 22.103806 20.421513 # HT
+ 1237 274 30 -0.834 -0.53939742 19.054718 22.884718 # OT
+ 1238 274 1 0.417 0.21755291 19.6406 22.884718 # HT
+ 1239 274 1 0.417 -1.2963477 19.6406 22.884718 # HT
+ 1240 275 30 -0.834 -3.0026026 21.517923 22.884718 # OT
+ 1241 275 1 0.417 -2.2456523 22.103806 22.884718 # HT
+ 1242 275 1 0.417 -3.7595529 22.103806 22.884718 # HT
+ 1243 276 30 -0.834 -0.53939742 21.517923 25.347923 # OT
+ 1244 276 1 0.417 0.21755291 22.103806 25.347923 # HT
+ 1245 276 1 0.417 -1.2963477 22.103806 25.347923 # HT
+ 1246 277 30 -0.834 -0.53939742 19.054718 27.811128 # OT
+ 1247 277 1 0.417 0.21755291 19.6406 27.811128 # HT
+ 1248 277 1 0.417 -1.2963477 19.6406 27.811128 # HT
+ 1249 278 30 -0.834 -3.0026026 21.517923 27.811128 # OT
+ 1250 278 1 0.417 -2.2456523 22.103806 27.811128 # HT
+ 1251 278 1 0.417 -3.7595529 22.103806 27.811128 # HT
+ 1252 279 30 -0.834 -3.0026026 19.054718 30.274334 # OT
+ 1253 279 1 0.417 -2.2456523 19.6406 30.274334 # HT
+ 1254 279 1 0.417 -3.7595529 19.6406 30.274334 # HT
+ 1255 280 30 -0.834 -0.53939742 21.517923 30.274334 # OT
+ 1256 280 1 0.417 0.21755291 22.103806 30.274334 # HT
+ 1257 280 1 0.417 -1.2963477 22.103806 30.274334 # HT
+ 1258 281 30 -0.834 -0.53939742 19.054718 32.737539 # OT
+ 1259 281 1 0.417 0.21755291 19.6406 32.737539 # HT
+ 1260 281 1 0.417 -1.2963477 19.6406 32.737539 # HT
+ 1261 282 30 -0.834 -3.0026026 21.517923 32.737539 # OT
+ 1262 282 1 0.417 -2.2456523 22.103806 32.737539 # HT
+ 1263 282 1 0.417 -3.7595529 22.103806 32.737539 # HT
+ 1264 283 38 1 1.9238077 -0.65092323 -4.2105387 # SOD
+ 1265 284 30 -0.834 1.9238077 1.8122819 3.1790768 # OT
+ 1266 284 1 0.417 2.6807581 2.3981642 3.1790768 # HT
+ 1267 284 1 0.417 1.1668574 2.3981642 3.1790768 # HT
+ 1268 285 30 -0.834 1.9238077 -0.65092323 5.6422819 # OT
+ 1269 285 1 0.417 2.6807581 -0.065040954 5.6422819 # HT
+ 1270 285 1 0.417 1.1668574 -0.065040954 5.6422819 # HT
+ 1271 286 30 -0.834 4.3870129 1.8122819 5.6422819 # OT
+ 1272 286 1 0.417 5.1439632 2.3981642 5.6422819 # HT
+ 1273 286 1 0.417 3.6300626 2.3981642 5.6422819 # HT
+ 1274 287 30 -0.834 4.3870129 -0.65092323 8.1054871 # OT
+ 1275 287 1 0.417 5.1439632 -0.065040954 8.1054871 # HT
+ 1276 287 1 0.417 3.6300626 -0.065040954 8.1054871 # HT
+ 1277 288 30 -0.834 1.9238077 1.8122819 8.1054871 # OT
+ 1278 288 1 0.417 2.6807581 2.3981642 8.1054871 # HT
+ 1279 288 1 0.417 1.1668574 2.3981642 8.1054871 # HT
+ 1280 289 30 -0.834 1.9238077 -0.65092323 10.568692 # OT
+ 1281 289 1 0.417 2.6807581 -0.065040954 10.568692 # HT
+ 1282 289 1 0.417 1.1668574 -0.065040954 10.568692 # HT
+ 1283 290 30 -0.834 4.3870129 1.8122819 10.568692 # OT
+ 1284 290 1 0.417 5.1439632 2.3981642 10.568692 # HT
+ 1285 290 1 0.417 3.6300626 2.3981642 10.568692 # HT
+ 1286 291 30 -0.834 4.3870129 -0.65092323 13.031897 # OT
+ 1287 291 1 0.417 5.1439632 -0.065040954 13.031897 # HT
+ 1288 291 1 0.417 3.6300626 -0.065040954 13.031897 # HT
+ 1289 292 30 -0.834 1.9238077 1.8122819 13.031897 # OT
+ 1290 292 1 0.417 2.6807581 2.3981642 13.031897 # HT
+ 1291 292 1 0.417 1.1668574 2.3981642 13.031897 # HT
+ 1292 293 30 -0.834 1.9238077 -0.65092323 15.495103 # OT
+ 1293 293 1 0.417 2.6807581 -0.065040954 15.495103 # HT
+ 1294 293 1 0.417 1.1668574 -0.065040954 15.495103 # HT
+ 1295 294 30 -0.834 4.3870129 1.8122819 15.495103 # OT
+ 1296 294 1 0.417 5.1439632 2.3981642 15.495103 # HT
+ 1297 294 1 0.417 3.6300626 2.3981642 15.495103 # HT
+ 1298 295 30 -0.834 4.3870129 -0.65092323 17.958308 # OT
+ 1299 295 1 0.417 5.1439632 -0.065040954 17.958308 # HT
+ 1300 295 1 0.417 3.6300626 -0.065040954 17.958308 # HT
+ 1301 296 30 -0.834 1.9238077 -0.65092323 20.421513 # OT
+ 1302 296 1 0.417 2.6807581 -0.065040954 20.421513 # HT
+ 1303 296 1 0.417 1.1668574 -0.065040954 20.421513 # HT
+ 1304 297 30 -0.834 4.3870129 1.8122819 20.421513 # OT
+ 1305 297 1 0.417 5.1439632 2.3981642 20.421513 # HT
+ 1306 297 1 0.417 3.6300626 2.3981642 20.421513 # HT
+ 1307 298 30 -0.834 4.3870129 -0.65092323 22.884718 # OT
+ 1308 298 1 0.417 5.1439632 -0.065040954 22.884718 # HT
+ 1309 298 1 0.417 3.6300626 -0.065040954 22.884718 # HT
+ 1310 299 30 -0.834 1.9238077 1.8122819 22.884718 # OT
+ 1311 299 1 0.417 2.6807581 2.3981642 22.884718 # HT
+ 1312 299 1 0.417 1.1668574 2.3981642 22.884718 # HT
+ 1313 300 30 -0.834 1.9238077 -0.65092323 25.347923 # OT
+ 1314 300 1 0.417 2.6807581 -0.065040954 25.347923 # HT
+ 1315 300 1 0.417 1.1668574 -0.065040954 25.347923 # HT
+ 1316 301 30 -0.834 4.3870129 1.8122819 25.347923 # OT
+ 1317 301 1 0.417 5.1439632 2.3981642 25.347923 # HT
+ 1318 301 1 0.417 3.6300626 2.3981642 25.347923 # HT
+ 1319 302 30 -0.834 4.3870129 -0.65092323 27.811128 # OT
+ 1320 302 1 0.417 5.1439632 -0.065040954 27.811128 # HT
+ 1321 302 1 0.417 3.6300626 -0.065040954 27.811128 # HT
+ 1322 303 30 -0.834 1.9238077 1.8122819 27.811128 # OT
+ 1323 303 1 0.417 2.6807581 2.3981642 27.811128 # HT
+ 1324 303 1 0.417 1.1668574 2.3981642 27.811128 # HT
+ 1325 304 30 -0.834 1.9238077 -0.65092323 30.274334 # OT
+ 1326 304 1 0.417 2.6807581 -0.065040954 30.274334 # HT
+ 1327 304 1 0.417 1.1668574 -0.065040954 30.274334 # HT
+ 1328 305 30 -0.834 4.3870129 1.8122819 30.274334 # OT
+ 1329 305 1 0.417 5.1439632 2.3981642 30.274334 # HT
+ 1330 305 1 0.417 3.6300626 2.3981642 30.274334 # HT
+ 1331 306 30 -0.834 4.3870129 -0.65092323 32.737539 # OT
+ 1332 306 1 0.417 5.1439632 -0.065040954 32.737539 # HT
+ 1333 306 1 0.417 3.6300626 -0.065040954 32.737539 # HT
+ 1334 307 30 -0.834 1.9238077 1.8122819 32.737539 # OT
+ 1335 307 1 0.417 2.6807581 2.3981642 32.737539 # HT
+ 1336 307 1 0.417 1.1668574 2.3981642 32.737539 # HT
+ 1337 308 30 -0.834 1.9238077 4.2754871 -4.2105387 # OT
+ 1338 308 1 0.417 2.6807581 4.8613694 -4.2105387 # HT
+ 1339 308 1 0.417 1.1668574 4.8613694 -4.2105387 # HT
+ 1340 309 30 -0.834 4.3870129 6.7386923 -4.2105387 # OT
+ 1341 309 1 0.417 5.1439632 7.3245745 -4.2105387 # HT
+ 1342 309 1 0.417 3.6300626 7.3245745 -4.2105387 # HT
+ 1343 310 30 -0.834 4.3870129 4.2754871 8.1054871 # OT
+ 1344 310 1 0.417 5.1439632 4.8613694 8.1054871 # HT
+ 1345 310 1 0.417 3.6300626 4.8613694 8.1054871 # HT
+ 1346 311 30 -0.834 1.9238077 6.7386923 8.1054871 # OT
+ 1347 311 1 0.417 2.6807581 7.3245745 8.1054871 # HT
+ 1348 311 1 0.417 1.1668574 7.3245745 8.1054871 # HT
+ 1349 312 30 -0.834 1.9238077 4.2754871 10.568692 # OT
+ 1350 312 1 0.417 2.6807581 4.8613694 10.568692 # HT
+ 1351 312 1 0.417 1.1668574 4.8613694 10.568692 # HT
+ 1352 313 30 -0.834 4.3870129 6.7386923 10.568692 # OT
+ 1353 313 1 0.417 5.1439632 7.3245745 10.568692 # HT
+ 1354 313 1 0.417 3.6300626 7.3245745 10.568692 # HT
+ 1355 314 30 -0.834 4.3870129 4.2754871 13.031897 # OT
+ 1356 314 1 0.417 5.1439632 4.8613694 13.031897 # HT
+ 1357 314 1 0.417 3.6300626 4.8613694 13.031897 # HT
+ 1358 315 30 -0.834 1.9238077 6.7386923 13.031897 # OT
+ 1359 315 1 0.417 2.6807581 7.3245745 13.031897 # HT
+ 1360 315 1 0.417 1.1668574 7.3245745 13.031897 # HT
+ 1361 316 30 -0.834 1.9238077 4.2754871 15.495103 # OT
+ 1362 316 1 0.417 2.6807581 4.8613694 15.495103 # HT
+ 1363 316 1 0.417 1.1668574 4.8613694 15.495103 # HT
+ 1364 317 30 -0.834 4.3870129 6.7386923 15.495103 # OT
+ 1365 317 1 0.417 5.1439632 7.3245745 15.495103 # HT
+ 1366 317 1 0.417 3.6300626 7.3245745 15.495103 # HT
+ 1367 318 30 -0.834 4.3870129 4.2754871 17.958308 # OT
+ 1368 318 1 0.417 5.1439632 4.8613694 17.958308 # HT
+ 1369 318 1 0.417 3.6300626 4.8613694 17.958308 # HT
+ 1370 319 30 -0.834 4.3870129 6.7386923 20.421513 # OT
+ 1371 319 1 0.417 5.1439632 7.3245745 20.421513 # HT
+ 1372 319 1 0.417 3.6300626 7.3245745 20.421513 # HT
+ 1373 320 30 -0.834 4.3870129 4.2754871 22.884718 # OT
+ 1374 320 1 0.417 5.1439632 4.8613694 22.884718 # HT
+ 1375 320 1 0.417 3.6300626 4.8613694 22.884718 # HT
+ 1376 321 30 -0.834 1.9238077 4.2754871 25.347923 # OT
+ 1377 321 1 0.417 2.6807581 4.8613694 25.347923 # HT
+ 1378 321 1 0.417 1.1668574 4.8613694 25.347923 # HT
+ 1379 322 30 -0.834 4.3870129 6.7386923 25.347923 # OT
+ 1380 322 1 0.417 5.1439632 7.3245745 25.347923 # HT
+ 1381 322 1 0.417 3.6300626 7.3245745 25.347923 # HT
+ 1382 323 30 -0.834 4.3870129 4.2754871 27.811128 # OT
+ 1383 323 1 0.417 5.1439632 4.8613694 27.811128 # HT
+ 1384 323 1 0.417 3.6300626 4.8613694 27.811128 # HT
+ 1385 324 30 -0.834 1.9238077 6.7386923 27.811128 # OT
+ 1386 324 1 0.417 2.6807581 7.3245745 27.811128 # HT
+ 1387 324 1 0.417 1.1668574 7.3245745 27.811128 # HT
+ 1388 325 30 -0.834 1.9238077 4.2754871 30.274334 # OT
+ 1389 325 1 0.417 2.6807581 4.8613694 30.274334 # HT
+ 1390 325 1 0.417 1.1668574 4.8613694 30.274334 # HT
+ 1391 326 30 -0.834 4.3870129 6.7386923 30.274334 # OT
+ 1392 326 1 0.417 5.1439632 7.3245745 30.274334 # HT
+ 1393 326 1 0.417 3.6300626 7.3245745 30.274334 # HT
+ 1394 327 30 -0.834 4.3870129 4.2754871 32.737539 # OT
+ 1395 327 1 0.417 5.1439632 4.8613694 32.737539 # HT
+ 1396 327 1 0.417 3.6300626 4.8613694 32.737539 # HT
+ 1397 328 30 -0.834 1.9238077 6.7386923 32.737539 # OT
+ 1398 328 1 0.417 2.6807581 7.3245745 32.737539 # HT
+ 1399 328 1 0.417 1.1668574 7.3245745 32.737539 # HT
+ 1400 329 30 -0.834 1.9238077 9.2018974 -4.2105387 # OT
+ 1401 329 1 0.417 2.6807581 9.7877797 -4.2105387 # HT
+ 1402 329 1 0.417 1.1668574 9.7877797 -4.2105387 # HT
+ 1403 330 30 -0.834 4.3870129 11.665103 -4.2105387 # OT
+ 1404 330 1 0.417 5.1439632 12.250985 -4.2105387 # HT
+ 1405 330 1 0.417 3.6300626 12.250985 -4.2105387 # HT
+ 1406 331 30 -0.834 4.3870129 9.2018974 13.031897 # OT
+ 1407 331 1 0.417 5.1439632 9.7877797 13.031897 # HT
+ 1408 331 1 0.417 3.6300626 9.7877797 13.031897 # HT
+ 1409 332 30 -0.834 4.3870129 11.665103 15.495103 # OT
+ 1410 332 1 0.417 5.1439632 12.250985 15.495103 # HT
+ 1411 332 1 0.417 3.6300626 12.250985 15.495103 # HT
+ 1412 333 30 -0.834 4.3870129 9.2018974 17.958308 # OT
+ 1413 333 1 0.417 5.1439632 9.7877797 17.958308 # HT
+ 1414 333 1 0.417 3.6300626 9.7877797 17.958308 # HT
+ 1415 334 30 -0.834 1.9238077 11.665103 17.958308 # OT
+ 1416 334 1 0.417 2.6807581 12.250985 17.958308 # HT
+ 1417 334 1 0.417 1.1668574 12.250985 17.958308 # HT
+ 1418 335 30 -0.834 4.3870129 11.665103 20.421513 # OT
+ 1419 335 1 0.417 5.1439632 12.250985 20.421513 # HT
+ 1420 335 1 0.417 3.6300626 12.250985 20.421513 # HT
+ 1421 336 30 -0.834 4.3870129 9.2018974 22.884718 # OT
+ 1422 336 1 0.417 5.1439632 9.7877797 22.884718 # HT
+ 1423 336 1 0.417 3.6300626 9.7877797 22.884718 # HT
+ 1424 337 30 -0.834 1.9238077 11.665103 22.884718 # OT
+ 1425 337 1 0.417 2.6807581 12.250985 22.884718 # HT
+ 1426 337 1 0.417 1.1668574 12.250985 22.884718 # HT
+ 1427 338 30 -0.834 4.3870129 11.665103 25.347923 # OT
+ 1428 338 1 0.417 5.1439632 12.250985 25.347923 # HT
+ 1429 338 1 0.417 3.6300626 12.250985 25.347923 # HT
+ 1430 339 30 -0.834 4.3870129 9.2018974 27.811128 # OT
+ 1431 339 1 0.417 5.1439632 9.7877797 27.811128 # HT
+ 1432 339 1 0.417 3.6300626 9.7877797 27.811128 # HT
+ 1433 340 30 -0.834 1.9238077 9.2018974 30.274334 # OT
+ 1434 340 1 0.417 2.6807581 9.7877797 30.274334 # HT
+ 1435 340 1 0.417 1.1668574 9.7877797 30.274334 # HT
+ 1436 341 30 -0.834 4.3870129 11.665103 30.274334 # OT
+ 1437 341 1 0.417 5.1439632 12.250985 30.274334 # HT
+ 1438 341 1 0.417 3.6300626 12.250985 30.274334 # HT
+ 1439 342 30 -0.834 4.3870129 9.2018974 32.737539 # OT
+ 1440 342 1 0.417 5.1439632 9.7877797 32.737539 # HT
+ 1441 342 1 0.417 3.6300626 9.7877797 32.737539 # HT
+ 1442 343 30 -0.834 1.9238077 11.665103 32.737539 # OT
+ 1443 343 1 0.417 2.6807581 12.250985 32.737539 # HT
+ 1444 343 1 0.417 1.1668574 12.250985 32.737539 # HT
+ 1445 344 30 -0.834 4.3870129 16.591513 -4.2105387 # OT
+ 1446 344 1 0.417 5.1439632 17.177395 -4.2105387 # HT
+ 1447 344 1 0.417 3.6300626 17.177395 -4.2105387 # HT
+ 1448 345 30 -0.834 4.3870129 14.128308 -1.7473336 # OT
+ 1449 345 1 0.417 5.1439632 14.71419 -1.7473336 # HT
+ 1450 345 1 0.417 3.6300626 14.71419 -1.7473336 # HT
+ 1451 346 30 -0.834 4.3870129 16.591513 0.71587161 # OT
+ 1452 346 1 0.417 5.1439632 17.177395 0.71587161 # HT
+ 1453 346 1 0.417 3.6300626 17.177395 0.71587161 # HT
+ 1454 347 30 -0.834 1.9238077 16.591513 3.1790768 # OT
+ 1455 347 1 0.417 2.6807581 17.177395 3.1790768 # HT
+ 1456 347 1 0.417 1.1668574 17.177395 3.1790768 # HT
+ 1457 348 30 -0.834 4.3870129 16.591513 15.495103 # OT
+ 1458 348 1 0.417 5.1439632 17.177395 15.495103 # HT
+ 1459 348 1 0.417 3.6300626 17.177395 15.495103 # HT
+ 1460 349 30 -0.834 4.3870129 14.128308 17.958308 # OT
+ 1461 349 1 0.417 5.1439632 14.71419 17.958308 # HT
+ 1462 349 1 0.417 3.6300626 14.71419 17.958308 # HT
+ 1463 350 30 -0.834 1.9238077 16.591513 17.958308 # OT
+ 1464 350 1 0.417 2.6807581 17.177395 17.958308 # HT
+ 1465 350 1 0.417 1.1668574 17.177395 17.958308 # HT
+ 1466 351 30 -0.834 1.9238077 14.128308 20.421513 # OT
+ 1467 351 1 0.417 2.6807581 14.71419 20.421513 # HT
+ 1468 351 1 0.417 1.1668574 14.71419 20.421513 # HT
+ 1469 352 38 1 4.3870129 16.591513 20.421513 # SOD
+ 1470 353 30 -0.834 4.3870129 14.128308 22.884718 # OT
+ 1471 353 1 0.417 5.1439632 14.71419 22.884718 # HT
+ 1472 353 1 0.417 3.6300626 14.71419 22.884718 # HT
+ 1473 354 30 -0.834 1.9238077 16.591513 22.884718 # OT
+ 1474 354 1 0.417 2.6807581 17.177395 22.884718 # HT
+ 1475 354 1 0.417 1.1668574 17.177395 22.884718 # HT
+ 1476 355 30 -0.834 4.3870129 16.591513 25.347923 # OT
+ 1477 355 1 0.417 5.1439632 17.177395 25.347923 # HT
+ 1478 355 1 0.417 3.6300626 17.177395 25.347923 # HT
+ 1479 356 30 -0.834 4.3870129 14.128308 27.811128 # OT
+ 1480 356 1 0.417 5.1439632 14.71419 27.811128 # HT
+ 1481 356 1 0.417 3.6300626 14.71419 27.811128 # HT
+ 1482 357 30 -0.834 1.9238077 16.591513 27.811128 # OT
+ 1483 357 1 0.417 2.6807581 17.177395 27.811128 # HT
+ 1484 357 1 0.417 1.1668574 17.177395 27.811128 # HT
+ 1485 358 30 -0.834 1.9238077 14.128308 30.274334 # OT
+ 1486 358 1 0.417 2.6807581 14.71419 30.274334 # HT
+ 1487 358 1 0.417 1.1668574 14.71419 30.274334 # HT
+ 1488 359 30 -0.834 4.3870129 16.591513 30.274334 # OT
+ 1489 359 1 0.417 5.1439632 17.177395 30.274334 # HT
+ 1490 359 1 0.417 3.6300626 17.177395 30.274334 # HT
+ 1491 360 30 -0.834 4.3870129 14.128308 32.737539 # OT
+ 1492 360 1 0.417 5.1439632 14.71419 32.737539 # HT
+ 1493 360 1 0.417 3.6300626 14.71419 32.737539 # HT
+ 1494 361 30 -0.834 1.9238077 16.591513 32.737539 # OT
+ 1495 361 1 0.417 2.6807581 17.177395 32.737539 # HT
+ 1496 361 1 0.417 1.1668574 17.177395 32.737539 # HT
+ 1497 362 30 -0.834 4.3870129 21.517923 -4.2105387 # OT
+ 1498 362 1 0.417 5.1439632 22.103806 -4.2105387 # HT
+ 1499 362 1 0.417 3.6300626 22.103806 -4.2105387 # HT
+ 1500 363 30 -0.834 4.3870129 19.054718 -1.7473336 # OT
+ 1501 363 1 0.417 5.1439632 19.6406 -1.7473336 # HT
+ 1502 363 1 0.417 3.6300626 19.6406 -1.7473336 # HT
+ 1503 364 30 -0.834 1.9238077 21.517923 -1.7473336 # OT
+ 1504 364 1 0.417 2.6807581 22.103806 -1.7473336 # HT
+ 1505 364 1 0.417 1.1668574 22.103806 -1.7473336 # HT
+ 1506 365 30 -0.834 1.9238077 19.054718 0.71587161 # OT
+ 1507 365 1 0.417 2.6807581 19.6406 0.71587161 # HT
+ 1508 365 1 0.417 1.1668574 19.6406 0.71587161 # HT
+ 1509 366 30 -0.834 4.3870129 21.517923 0.71587161 # OT
+ 1510 366 1 0.417 5.1439632 22.103806 0.71587161 # HT
+ 1511 366 1 0.417 3.6300626 22.103806 0.71587161 # HT
+ 1512 367 30 -0.834 4.3870129 19.054718 3.1790768 # OT
+ 1513 367 1 0.417 5.1439632 19.6406 3.1790768 # HT
+ 1514 367 1 0.417 3.6300626 19.6406 3.1790768 # HT
+ 1515 368 30 -0.834 1.9238077 21.517923 3.1790768 # OT
+ 1516 368 1 0.417 2.6807581 22.103806 3.1790768 # HT
+ 1517 368 1 0.417 1.1668574 22.103806 3.1790768 # HT
+ 1518 369 30 -0.834 4.3870129 21.517923 5.6422819 # OT
+ 1519 369 1 0.417 5.1439632 22.103806 5.6422819 # HT
+ 1520 369 1 0.417 3.6300626 22.103806 5.6422819 # HT
+ 1521 370 30 -0.834 4.3870129 21.517923 10.568692 # OT
+ 1522 370 1 0.417 5.1439632 22.103806 10.568692 # HT
+ 1523 370 1 0.417 3.6300626 22.103806 10.568692 # HT
+ 1524 371 30 -0.834 4.3870129 19.054718 13.031897 # OT
+ 1525 371 1 0.417 5.1439632 19.6406 13.031897 # HT
+ 1526 371 1 0.417 3.6300626 19.6406 13.031897 # HT
+ 1527 372 30 -0.834 1.9238077 19.054718 15.495103 # OT
+ 1528 372 1 0.417 2.6807581 19.6406 15.495103 # HT
+ 1529 372 1 0.417 1.1668574 19.6406 15.495103 # HT
+ 1530 373 30 -0.834 4.3870129 21.517923 15.495103 # OT
+ 1531 373 1 0.417 5.1439632 22.103806 15.495103 # HT
+ 1532 373 1 0.417 3.6300626 22.103806 15.495103 # HT
+ 1533 374 30 -0.834 4.3870129 19.054718 17.958308 # OT
+ 1534 374 1 0.417 5.1439632 19.6406 17.958308 # HT
+ 1535 374 1 0.417 3.6300626 19.6406 17.958308 # HT
+ 1536 375 30 -0.834 1.9238077 21.517923 17.958308 # OT
+ 1537 375 1 0.417 2.6807581 22.103806 17.958308 # HT
+ 1538 375 1 0.417 1.1668574 22.103806 17.958308 # HT
+ 1539 376 30 -0.834 1.9238077 19.054718 20.421513 # OT
+ 1540 376 1 0.417 2.6807581 19.6406 20.421513 # HT
+ 1541 376 1 0.417 1.1668574 19.6406 20.421513 # HT
+ 1542 377 30 -0.834 4.3870129 21.517923 20.421513 # OT
+ 1543 377 1 0.417 5.1439632 22.103806 20.421513 # HT
+ 1544 377 1 0.417 3.6300626 22.103806 20.421513 # HT
+ 1545 378 30 -0.834 4.3870129 19.054718 22.884718 # OT
+ 1546 378 1 0.417 5.1439632 19.6406 22.884718 # HT
+ 1547 378 1 0.417 3.6300626 19.6406 22.884718 # HT
+ 1548 379 30 -0.834 1.9238077 21.517923 22.884718 # OT
+ 1549 379 1 0.417 2.6807581 22.103806 22.884718 # HT
+ 1550 379 1 0.417 1.1668574 22.103806 22.884718 # HT
+ 1551 380 30 -0.834 1.9238077 19.054718 25.347923 # OT
+ 1552 380 1 0.417 2.6807581 19.6406 25.347923 # HT
+ 1553 380 1 0.417 1.1668574 19.6406 25.347923 # HT
+ 1554 381 30 -0.834 4.3870129 21.517923 25.347923 # OT
+ 1555 381 1 0.417 5.1439632 22.103806 25.347923 # HT
+ 1556 381 1 0.417 3.6300626 22.103806 25.347923 # HT
+ 1557 382 30 -0.834 4.3870129 19.054718 27.811128 # OT
+ 1558 382 1 0.417 5.1439632 19.6406 27.811128 # HT
+ 1559 382 1 0.417 3.6300626 19.6406 27.811128 # HT
+ 1560 383 30 -0.834 1.9238077 21.517923 27.811128 # OT
+ 1561 383 1 0.417 2.6807581 22.103806 27.811128 # HT
+ 1562 383 1 0.417 1.1668574 22.103806 27.811128 # HT
+ 1563 384 30 -0.834 1.9238077 19.054718 30.274334 # OT
+ 1564 384 1 0.417 2.6807581 19.6406 30.274334 # HT
+ 1565 384 1 0.417 1.1668574 19.6406 30.274334 # HT
+ 1566 385 30 -0.834 4.3870129 21.517923 30.274334 # OT
+ 1567 385 1 0.417 5.1439632 22.103806 30.274334 # HT
+ 1568 385 1 0.417 3.6300626 22.103806 30.274334 # HT
+ 1569 386 30 -0.834 4.3870129 19.054718 32.737539 # OT
+ 1570 386 1 0.417 5.1439632 19.6406 32.737539 # HT
+ 1571 386 1 0.417 3.6300626 19.6406 32.737539 # HT
+ 1572 387 30 -0.834 1.9238077 21.517923 32.737539 # OT
+ 1573 387 1 0.417 2.6807581 22.103806 32.737539 # HT
+ 1574 387 1 0.417 1.1668574 22.103806 32.737539 # HT
+ 1575 388 30 -0.834 6.8502181 -0.65092323 -4.2105387 # OT
+ 1576 388 1 0.417 7.6071684 -0.065040954 -4.2105387 # HT
+ 1577 388 1 0.417 6.0932677 -0.065040954 -4.2105387 # HT
+ 1578 389 30 -0.834 9.3134232 1.8122819 -4.2105387 # OT
+ 1579 389 1 0.417 10.070374 2.3981642 -4.2105387 # HT
+ 1580 389 1 0.417 8.5564729 2.3981642 -4.2105387 # HT
+ 1581 390 30 -0.834 9.3134232 -0.65092323 -1.7473336 # OT
+ 1582 390 1 0.417 10.070374 -0.065040954 -1.7473336 # HT
+ 1583 390 1 0.417 8.5564729 -0.065040954 -1.7473336 # HT
+ 1584 391 30 -0.834 9.3134232 1.8122819 0.71587161 # OT
+ 1585 391 1 0.417 10.070374 2.3981642 0.71587161 # HT
+ 1586 391 1 0.417 8.5564729 2.3981642 0.71587161 # HT
+ 1587 392 30 -0.834 9.3134232 -0.65092323 3.1790768 # OT
+ 1588 392 1 0.417 10.070374 -0.065040954 3.1790768 # HT
+ 1589 392 1 0.417 8.5564729 -0.065040954 3.1790768 # HT
+ 1590 393 30 -0.834 6.8502181 -0.65092323 5.6422819 # OT
+ 1591 393 1 0.417 7.6071684 -0.065040954 5.6422819 # HT
+ 1592 393 1 0.417 6.0932677 -0.065040954 5.6422819 # HT
+ 1593 394 30 -0.834 9.3134232 1.8122819 5.6422819 # OT
+ 1594 394 1 0.417 10.070374 2.3981642 5.6422819 # HT
+ 1595 394 1 0.417 8.5564729 2.3981642 5.6422819 # HT
+ 1596 395 30 -0.834 9.3134232 -0.65092323 8.1054871 # OT
+ 1597 395 1 0.417 10.070374 -0.065040954 8.1054871 # HT
+ 1598 395 1 0.417 8.5564729 -0.065040954 8.1054871 # HT
+ 1599 396 30 -0.834 6.8502181 1.8122819 8.1054871 # OT
+ 1600 396 1 0.417 7.6071684 2.3981642 8.1054871 # HT
+ 1601 396 1 0.417 6.0932677 2.3981642 8.1054871 # HT
+ 1602 397 30 -0.834 6.8502181 -0.65092323 10.568692 # OT
+ 1603 397 1 0.417 7.6071684 -0.065040954 10.568692 # HT
+ 1604 397 1 0.417 6.0932677 -0.065040954 10.568692 # HT
+ 1605 398 30 -0.834 9.3134232 1.8122819 10.568692 # OT
+ 1606 398 1 0.417 10.070374 2.3981642 10.568692 # HT
+ 1607 398 1 0.417 8.5564729 2.3981642 10.568692 # HT
+ 1608 399 30 -0.834 9.3134232 -0.65092323 13.031897 # OT
+ 1609 399 1 0.417 10.070374 -0.065040954 13.031897 # HT
+ 1610 399 1 0.417 8.5564729 -0.065040954 13.031897 # HT
+ 1611 400 30 -0.834 6.8502181 1.8122819 13.031897 # OT
+ 1612 400 1 0.417 7.6071684 2.3981642 13.031897 # HT
+ 1613 400 1 0.417 6.0932677 2.3981642 13.031897 # HT
+ 1614 401 30 -0.834 6.8502181 -0.65092323 15.495103 # OT
+ 1615 401 1 0.417 7.6071684 -0.065040954 15.495103 # HT
+ 1616 401 1 0.417 6.0932677 -0.065040954 15.495103 # HT
+ 1617 402 30 -0.834 9.3134232 1.8122819 15.495103 # OT
+ 1618 402 1 0.417 10.070374 2.3981642 15.495103 # HT
+ 1619 402 1 0.417 8.5564729 2.3981642 15.495103 # HT
+ 1620 403 30 -0.834 9.3134232 -0.65092323 17.958308 # OT
+ 1621 403 1 0.417 10.070374 -0.065040954 17.958308 # HT
+ 1622 403 1 0.417 8.5564729 -0.065040954 17.958308 # HT
+ 1623 404 30 -0.834 6.8502181 1.8122819 17.958308 # OT
+ 1624 404 1 0.417 7.6071684 2.3981642 17.958308 # HT
+ 1625 404 1 0.417 6.0932677 2.3981642 17.958308 # HT
+ 1626 405 30 -0.834 6.8502181 -0.65092323 20.421513 # OT
+ 1627 405 1 0.417 7.6071684 -0.065040954 20.421513 # HT
+ 1628 405 1 0.417 6.0932677 -0.065040954 20.421513 # HT
+ 1629 406 30 -0.834 9.3134232 1.8122819 20.421513 # OT
+ 1630 406 1 0.417 10.070374 2.3981642 20.421513 # HT
+ 1631 406 1 0.417 8.5564729 2.3981642 20.421513 # HT
+ 1632 407 30 -0.834 9.3134232 -0.65092323 22.884718 # OT
+ 1633 407 1 0.417 10.070374 -0.065040954 22.884718 # HT
+ 1634 407 1 0.417 8.5564729 -0.065040954 22.884718 # HT
+ 1635 408 30 -0.834 6.8502181 1.8122819 22.884718 # OT
+ 1636 408 1 0.417 7.6071684 2.3981642 22.884718 # HT
+ 1637 408 1 0.417 6.0932677 2.3981642 22.884718 # HT
+ 1638 409 30 -0.834 6.8502181 -0.65092323 25.347923 # OT
+ 1639 409 1 0.417 7.6071684 -0.065040954 25.347923 # HT
+ 1640 409 1 0.417 6.0932677 -0.065040954 25.347923 # HT
+ 1641 410 30 -0.834 9.3134232 1.8122819 25.347923 # OT
+ 1642 410 1 0.417 10.070374 2.3981642 25.347923 # HT
+ 1643 410 1 0.417 8.5564729 2.3981642 25.347923 # HT
+ 1644 411 30 -0.834 9.3134232 -0.65092323 27.811128 # OT
+ 1645 411 1 0.417 10.070374 -0.065040954 27.811128 # HT
+ 1646 411 1 0.417 8.5564729 -0.065040954 27.811128 # HT
+ 1647 412 30 -0.834 6.8502181 1.8122819 27.811128 # OT
+ 1648 412 1 0.417 7.6071684 2.3981642 27.811128 # HT
+ 1649 412 1 0.417 6.0932677 2.3981642 27.811128 # HT
+ 1650 413 30 -0.834 6.8502181 -0.65092323 30.274334 # OT
+ 1651 413 1 0.417 7.6071684 -0.065040954 30.274334 # HT
+ 1652 413 1 0.417 6.0932677 -0.065040954 30.274334 # HT
+ 1653 414 30 -0.834 9.3134232 1.8122819 30.274334 # OT
+ 1654 414 1 0.417 10.070374 2.3981642 30.274334 # HT
+ 1655 414 1 0.417 8.5564729 2.3981642 30.274334 # HT
+ 1656 415 30 -0.834 9.3134232 -0.65092323 32.737539 # OT
+ 1657 415 1 0.417 10.070374 -0.065040954 32.737539 # HT
+ 1658 415 1 0.417 8.5564729 -0.065040954 32.737539 # HT
+ 1659 416 30 -0.834 6.8502181 1.8122819 32.737539 # OT
+ 1660 416 1 0.417 7.6071684 2.3981642 32.737539 # HT
+ 1661 416 1 0.417 6.0932677 2.3981642 32.737539 # HT
+ 1662 417 30 -0.834 9.3134232 6.7386923 -4.2105387 # OT
+ 1663 417 1 0.417 10.070374 7.3245745 -4.2105387 # HT
+ 1664 417 1 0.417 8.5564729 7.3245745 -4.2105387 # HT
+ 1665 418 30 -0.834 9.3134232 6.7386923 5.6422819 # OT
+ 1666 418 1 0.417 10.070374 7.3245745 5.6422819 # HT
+ 1667 418 1 0.417 8.5564729 7.3245745 5.6422819 # HT
+ 1668 419 30 -0.834 9.3134232 4.2754871 8.1054871 # OT
+ 1669 419 1 0.417 10.070374 4.8613694 8.1054871 # HT
+ 1670 419 1 0.417 8.5564729 4.8613694 8.1054871 # HT
+ 1671 420 30 -0.834 6.8502181 6.7386923 8.1054871 # OT
+ 1672 420 1 0.417 7.6071684 7.3245745 8.1054871 # HT
+ 1673 420 1 0.417 6.0932677 7.3245745 8.1054871 # HT
+ 1674 421 30 -0.834 6.8502181 4.2754871 10.568692 # OT
+ 1675 421 1 0.417 7.6071684 4.8613694 10.568692 # HT
+ 1676 421 1 0.417 6.0932677 4.8613694 10.568692 # HT
+ 1677 422 30 -0.834 9.3134232 6.7386923 10.568692 # OT
+ 1678 422 1 0.417 10.070374 7.3245745 10.568692 # HT
+ 1679 422 1 0.417 8.5564729 7.3245745 10.568692 # HT
+ 1680 423 30 -0.834 9.3134232 4.2754871 13.031897 # OT
+ 1681 423 1 0.417 10.070374 4.8613694 13.031897 # HT
+ 1682 423 1 0.417 8.5564729 4.8613694 13.031897 # HT
+ 1683 424 30 -0.834 6.8502181 6.7386923 13.031897 # OT
+ 1684 424 1 0.417 7.6071684 7.3245745 13.031897 # HT
+ 1685 424 1 0.417 6.0932677 7.3245745 13.031897 # HT
+ 1686 425 30 -0.834 6.8502181 4.2754871 15.495103 # OT
+ 1687 425 1 0.417 7.6071684 4.8613694 15.495103 # HT
+ 1688 425 1 0.417 6.0932677 4.8613694 15.495103 # HT
+ 1689 426 30 -0.834 9.3134232 6.7386923 15.495103 # OT
+ 1690 426 1 0.417 10.070374 7.3245745 15.495103 # HT
+ 1691 426 1 0.417 8.5564729 7.3245745 15.495103 # HT
+ 1692 427 30 -0.834 9.3134232 4.2754871 17.958308 # OT
+ 1693 427 1 0.417 10.070374 4.8613694 17.958308 # HT
+ 1694 427 1 0.417 8.5564729 4.8613694 17.958308 # HT
+ 1695 428 30 -0.834 6.8502181 6.7386923 17.958308 # OT
+ 1696 428 1 0.417 7.6071684 7.3245745 17.958308 # HT
+ 1697 428 1 0.417 6.0932677 7.3245745 17.958308 # HT
+ 1698 429 30 -0.834 6.8502181 4.2754871 20.421513 # OT
+ 1699 429 1 0.417 7.6071684 4.8613694 20.421513 # HT
+ 1700 429 1 0.417 6.0932677 4.8613694 20.421513 # HT
+ 1701 430 30 -0.834 9.3134232 6.7386923 20.421513 # OT
+ 1702 430 1 0.417 10.070374 7.3245745 20.421513 # HT
+ 1703 430 1 0.417 8.5564729 7.3245745 20.421513 # HT
+ 1704 431 30 -0.834 9.3134232 4.2754871 22.884718 # OT
+ 1705 431 1 0.417 10.070374 4.8613694 22.884718 # HT
+ 1706 431 1 0.417 8.5564729 4.8613694 22.884718 # HT
+ 1707 432 30 -0.834 6.8502181 6.7386923 22.884718 # OT
+ 1708 432 1 0.417 7.6071684 7.3245745 22.884718 # HT
+ 1709 432 1 0.417 6.0932677 7.3245745 22.884718 # HT
+ 1710 433 30 -0.834 6.8502181 4.2754871 25.347923 # OT
+ 1711 433 1 0.417 7.6071684 4.8613694 25.347923 # HT
+ 1712 433 1 0.417 6.0932677 4.8613694 25.347923 # HT
+ 1713 434 30 -0.834 9.3134232 6.7386923 25.347923 # OT
+ 1714 434 1 0.417 10.070374 7.3245745 25.347923 # HT
+ 1715 434 1 0.417 8.5564729 7.3245745 25.347923 # HT
+ 1716 435 30 -0.834 9.3134232 4.2754871 27.811128 # OT
+ 1717 435 1 0.417 10.070374 4.8613694 27.811128 # HT
+ 1718 435 1 0.417 8.5564729 4.8613694 27.811128 # HT
+ 1719 436 30 -0.834 6.8502181 6.7386923 27.811128 # OT
+ 1720 436 1 0.417 7.6071684 7.3245745 27.811128 # HT
+ 1721 436 1 0.417 6.0932677 7.3245745 27.811128 # HT
+ 1722 437 38 1 6.8502181 4.2754871 30.274334 # SOD
+ 1723 438 30 -0.834 9.3134232 6.7386923 30.274334 # OT
+ 1724 438 1 0.417 10.070374 7.3245745 30.274334 # HT
+ 1725 438 1 0.417 8.5564729 7.3245745 30.274334 # HT
+ 1726 439 30 -0.834 9.3134232 4.2754871 32.737539 # OT
+ 1727 439 1 0.417 10.070374 4.8613694 32.737539 # HT
+ 1728 439 1 0.417 8.5564729 4.8613694 32.737539 # HT
+ 1729 440 30 -0.834 6.8502181 6.7386923 32.737539 # OT
+ 1730 440 1 0.417 7.6071684 7.3245745 32.737539 # HT
+ 1731 440 1 0.417 6.0932677 7.3245745 32.737539 # HT
+ 1732 441 30 -0.834 6.8502181 9.2018974 -4.2105387 # OT
+ 1733 441 1 0.417 7.6071684 9.7877797 -4.2105387 # HT
+ 1734 441 1 0.417 6.0932677 9.7877797 -4.2105387 # HT
+ 1735 442 30 -0.834 9.3134232 11.665103 -4.2105387 # OT
+ 1736 442 1 0.417 10.070374 12.250985 -4.2105387 # HT
+ 1737 442 1 0.417 8.5564729 12.250985 -4.2105387 # HT
+ 1738 443 30 -0.834 9.3134232 9.2018974 -1.7473336 # OT
+ 1739 443 1 0.417 10.070374 9.7877797 -1.7473336 # HT
+ 1740 443 1 0.417 8.5564729 9.7877797 -1.7473336 # HT
+ 1741 444 30 -0.834 6.8502181 11.665103 -1.7473336 # OT
+ 1742 444 1 0.417 7.6071684 12.250985 -1.7473336 # HT
+ 1743 444 1 0.417 6.0932677 12.250985 -1.7473336 # HT
+ 1744 445 30 -0.834 9.3134232 11.665103 0.71587161 # OT
+ 1745 445 1 0.417 10.070374 12.250985 0.71587161 # HT
+ 1746 445 1 0.417 8.5564729 12.250985 0.71587161 # HT
+ 1747 446 30 -0.834 6.8502181 9.2018974 10.568692 # OT
+ 1748 446 1 0.417 7.6071684 9.7877797 10.568692 # HT
+ 1749 446 1 0.417 6.0932677 9.7877797 10.568692 # HT
+ 1750 447 30 -0.834 9.3134232 11.665103 10.568692 # OT
+ 1751 447 1 0.417 10.070374 12.250985 10.568692 # HT
+ 1752 447 1 0.417 8.5564729 12.250985 10.568692 # HT
+ 1753 448 30 -0.834 9.3134232 9.2018974 13.031897 # OT
+ 1754 448 1 0.417 10.070374 9.7877797 13.031897 # HT
+ 1755 448 1 0.417 8.5564729 9.7877797 13.031897 # HT
+ 1756 449 30 -0.834 6.8502181 11.665103 13.031897 # OT
+ 1757 449 1 0.417 7.6071684 12.250985 13.031897 # HT
+ 1758 449 1 0.417 6.0932677 12.250985 13.031897 # HT
+ 1759 450 30 -0.834 6.8502181 9.2018974 15.495103 # OT
+ 1760 450 1 0.417 7.6071684 9.7877797 15.495103 # HT
+ 1761 450 1 0.417 6.0932677 9.7877797 15.495103 # HT
+ 1762 451 30 -0.834 9.3134232 11.665103 15.495103 # OT
+ 1763 451 1 0.417 10.070374 12.250985 15.495103 # HT
+ 1764 451 1 0.417 8.5564729 12.250985 15.495103 # HT
+ 1765 452 30 -0.834 9.3134232 9.2018974 17.958308 # OT
+ 1766 452 1 0.417 10.070374 9.7877797 17.958308 # HT
+ 1767 452 1 0.417 8.5564729 9.7877797 17.958308 # HT
+ 1768 453 30 -0.834 6.8502181 11.665103 17.958308 # OT
+ 1769 453 1 0.417 7.6071684 12.250985 17.958308 # HT
+ 1770 453 1 0.417 6.0932677 12.250985 17.958308 # HT
+ 1771 454 30 -0.834 6.8502181 9.2018974 20.421513 # OT
+ 1772 454 1 0.417 7.6071684 9.7877797 20.421513 # HT
+ 1773 454 1 0.417 6.0932677 9.7877797 20.421513 # HT
+ 1774 455 30 -0.834 9.3134232 11.665103 20.421513 # OT
+ 1775 455 1 0.417 10.070374 12.250985 20.421513 # HT
+ 1776 455 1 0.417 8.5564729 12.250985 20.421513 # HT
+ 1777 456 30 -0.834 9.3134232 9.2018974 22.884718 # OT
+ 1778 456 1 0.417 10.070374 9.7877797 22.884718 # HT
+ 1779 456 1 0.417 8.5564729 9.7877797 22.884718 # HT
+ 1780 457 30 -0.834 6.8502181 11.665103 22.884718 # OT
+ 1781 457 1 0.417 7.6071684 12.250985 22.884718 # HT
+ 1782 457 1 0.417 6.0932677 12.250985 22.884718 # HT
+ 1783 458 38 1 6.8502181 9.2018974 25.347923 # SOD
+ 1784 459 30 -0.834 9.3134232 11.665103 25.347923 # OT
+ 1785 459 1 0.417 10.070374 12.250985 25.347923 # HT
+ 1786 459 1 0.417 8.5564729 12.250985 25.347923 # HT
+ 1787 460 30 -0.834 9.3134232 9.2018974 27.811128 # OT
+ 1788 460 1 0.417 10.070374 9.7877797 27.811128 # HT
+ 1789 460 1 0.417 8.5564729 9.7877797 27.811128 # HT
+ 1790 461 30 -0.834 6.8502181 11.665103 27.811128 # OT
+ 1791 461 1 0.417 7.6071684 12.250985 27.811128 # HT
+ 1792 461 1 0.417 6.0932677 12.250985 27.811128 # HT
+ 1793 462 30 -0.834 6.8502181 9.2018974 30.274334 # OT
+ 1794 462 1 0.417 7.6071684 9.7877797 30.274334 # HT
+ 1795 462 1 0.417 6.0932677 9.7877797 30.274334 # HT
+ 1796 463 30 -0.834 9.3134232 11.665103 30.274334 # OT
+ 1797 463 1 0.417 10.070374 12.250985 30.274334 # HT
+ 1798 463 1 0.417 8.5564729 12.250985 30.274334 # HT
+ 1799 464 30 -0.834 9.3134232 9.2018974 32.737539 # OT
+ 1800 464 1 0.417 10.070374 9.7877797 32.737539 # HT
+ 1801 464 1 0.417 8.5564729 9.7877797 32.737539 # HT
+ 1802 465 30 -0.834 6.8502181 11.665103 32.737539 # OT
+ 1803 465 1 0.417 7.6071684 12.250985 32.737539 # HT
+ 1804 465 1 0.417 6.0932677 12.250985 32.737539 # HT
+ 1805 466 30 -0.834 6.8502181 14.128308 -4.2105387 # OT
+ 1806 466 1 0.417 7.6071684 14.71419 -4.2105387 # HT
+ 1807 466 1 0.417 6.0932677 14.71419 -4.2105387 # HT
+ 1808 467 30 -0.834 9.3134232 16.591513 -4.2105387 # OT
+ 1809 467 1 0.417 10.070374 17.177395 -4.2105387 # HT
+ 1810 467 1 0.417 8.5564729 17.177395 -4.2105387 # HT
+ 1811 468 38 1 9.3134232 14.128308 -1.7473336 # SOD
+ 1812 469 30 -0.834 6.8502181 16.591513 -1.7473336 # OT
+ 1813 469 1 0.417 7.6071684 17.177395 -1.7473336 # HT
+ 1814 469 1 0.417 6.0932677 17.177395 -1.7473336 # HT
+ 1815 470 30 -0.834 6.8502181 14.128308 0.71587161 # OT
+ 1816 470 1 0.417 7.6071684 14.71419 0.71587161 # HT
+ 1817 470 1 0.417 6.0932677 14.71419 0.71587161 # HT
+ 1818 471 30 -0.834 9.3134232 16.591513 0.71587161 # OT
+ 1819 471 1 0.417 10.070374 17.177395 0.71587161 # HT
+ 1820 471 1 0.417 8.5564729 17.177395 0.71587161 # HT
+ 1821 472 30 -0.834 9.3134232 16.591513 5.6422819 # OT
+ 1822 472 1 0.417 10.070374 17.177395 5.6422819 # HT
+ 1823 472 1 0.417 8.5564729 17.177395 5.6422819 # HT
+ 1824 473 30 -0.834 9.3134232 14.128308 8.1054871 # OT
+ 1825 473 1 0.417 10.070374 14.71419 8.1054871 # HT
+ 1826 473 1 0.417 8.5564729 14.71419 8.1054871 # HT
+ 1827 474 30 -0.834 9.3134232 16.591513 10.568692 # OT
+ 1828 474 1 0.417 10.070374 17.177395 10.568692 # HT
+ 1829 474 1 0.417 8.5564729 17.177395 10.568692 # HT
+ 1830 475 30 -0.834 9.3134232 14.128308 13.031897 # OT
+ 1831 475 1 0.417 10.070374 14.71419 13.031897 # HT
+ 1832 475 1 0.417 8.5564729 14.71419 13.031897 # HT
+ 1833 476 30 -0.834 6.8502181 16.591513 13.031897 # OT
+ 1834 476 1 0.417 7.6071684 17.177395 13.031897 # HT
+ 1835 476 1 0.417 6.0932677 17.177395 13.031897 # HT
+ 1836 477 30 -0.834 6.8502181 14.128308 15.495103 # OT
+ 1837 477 1 0.417 7.6071684 14.71419 15.495103 # HT
+ 1838 477 1 0.417 6.0932677 14.71419 15.495103 # HT
+ 1839 478 30 -0.834 9.3134232 16.591513 15.495103 # OT
+ 1840 478 1 0.417 10.070374 17.177395 15.495103 # HT
+ 1841 478 1 0.417 8.5564729 17.177395 15.495103 # HT
+ 1842 479 30 -0.834 9.3134232 14.128308 17.958308 # OT
+ 1843 479 1 0.417 10.070374 14.71419 17.958308 # HT
+ 1844 479 1 0.417 8.5564729 14.71419 17.958308 # HT
+ 1845 480 38 1 6.8502181 16.591513 17.958308 # SOD
+ 1846 481 30 -0.834 6.8502181 14.128308 20.421513 # OT
+ 1847 481 1 0.417 7.6071684 14.71419 20.421513 # HT
+ 1848 481 1 0.417 6.0932677 14.71419 20.421513 # HT
+ 1849 482 30 -0.834 9.3134232 16.591513 20.421513 # OT
+ 1850 482 1 0.417 10.070374 17.177395 20.421513 # HT
+ 1851 482 1 0.417 8.5564729 17.177395 20.421513 # HT
+ 1852 483 30 -0.834 9.3134232 14.128308 22.884718 # OT
+ 1853 483 1 0.417 10.070374 14.71419 22.884718 # HT
+ 1854 483 1 0.417 8.5564729 14.71419 22.884718 # HT
+ 1855 484 30 -0.834 6.8502181 16.591513 22.884718 # OT
+ 1856 484 1 0.417 7.6071684 17.177395 22.884718 # HT
+ 1857 484 1 0.417 6.0932677 17.177395 22.884718 # HT
+ 1858 485 30 -0.834 6.8502181 14.128308 25.347923 # OT
+ 1859 485 1 0.417 7.6071684 14.71419 25.347923 # HT
+ 1860 485 1 0.417 6.0932677 14.71419 25.347923 # HT
+ 1861 486 30 -0.834 9.3134232 16.591513 25.347923 # OT
+ 1862 486 1 0.417 10.070374 17.177395 25.347923 # HT
+ 1863 486 1 0.417 8.5564729 17.177395 25.347923 # HT
+ 1864 487 30 -0.834 9.3134232 14.128308 27.811128 # OT
+ 1865 487 1 0.417 10.070374 14.71419 27.811128 # HT
+ 1866 487 1 0.417 8.5564729 14.71419 27.811128 # HT
+ 1867 488 30 -0.834 6.8502181 16.591513 27.811128 # OT
+ 1868 488 1 0.417 7.6071684 17.177395 27.811128 # HT
+ 1869 488 1 0.417 6.0932677 17.177395 27.811128 # HT
+ 1870 489 30 -0.834 6.8502181 14.128308 30.274334 # OT
+ 1871 489 1 0.417 7.6071684 14.71419 30.274334 # HT
+ 1872 489 1 0.417 6.0932677 14.71419 30.274334 # HT
+ 1873 490 30 -0.834 9.3134232 16.591513 30.274334 # OT
+ 1874 490 1 0.417 10.070374 17.177395 30.274334 # HT
+ 1875 490 1 0.417 8.5564729 17.177395 30.274334 # HT
+ 1876 491 30 -0.834 9.3134232 14.128308 32.737539 # OT
+ 1877 491 1 0.417 10.070374 14.71419 32.737539 # HT
+ 1878 491 1 0.417 8.5564729 14.71419 32.737539 # HT
+ 1879 492 30 -0.834 6.8502181 16.591513 32.737539 # OT
+ 1880 492 1 0.417 7.6071684 17.177395 32.737539 # HT
+ 1881 492 1 0.417 6.0932677 17.177395 32.737539 # HT
+ 1882 493 30 -0.834 6.8502181 19.054718 -4.2105387 # OT
+ 1883 493 1 0.417 7.6071684 19.6406 -4.2105387 # HT
+ 1884 493 1 0.417 6.0932677 19.6406 -4.2105387 # HT
+ 1885 494 30 -0.834 9.3134232 21.517923 -4.2105387 # OT
+ 1886 494 1 0.417 10.070374 22.103806 -4.2105387 # HT
+ 1887 494 1 0.417 8.5564729 22.103806 -4.2105387 # HT
+ 1888 495 30 -0.834 9.3134232 19.054718 -1.7473336 # OT
+ 1889 495 1 0.417 10.070374 19.6406 -1.7473336 # HT
+ 1890 495 1 0.417 8.5564729 19.6406 -1.7473336 # HT
+ 1891 496 30 -0.834 6.8502181 21.517923 -1.7473336 # OT
+ 1892 496 1 0.417 7.6071684 22.103806 -1.7473336 # HT
+ 1893 496 1 0.417 6.0932677 22.103806 -1.7473336 # HT
+ 1894 497 30 -0.834 6.8502181 19.054718 0.71587161 # OT
+ 1895 497 1 0.417 7.6071684 19.6406 0.71587161 # HT
+ 1896 497 1 0.417 6.0932677 19.6406 0.71587161 # HT
+ 1897 498 30 -0.834 9.3134232 21.517923 0.71587161 # OT
+ 1898 498 1 0.417 10.070374 22.103806 0.71587161 # HT
+ 1899 498 1 0.417 8.5564729 22.103806 0.71587161 # HT
+ 1900 499 30 -0.834 9.3134232 19.054718 3.1790768 # OT
+ 1901 499 1 0.417 10.070374 19.6406 3.1790768 # HT
+ 1902 499 1 0.417 8.5564729 19.6406 3.1790768 # HT
+ 1903 500 30 -0.834 6.8502181 21.517923 3.1790768 # OT
+ 1904 500 1 0.417 7.6071684 22.103806 3.1790768 # HT
+ 1905 500 1 0.417 6.0932677 22.103806 3.1790768 # HT
+ 1906 501 30 -0.834 9.3134232 21.517923 5.6422819 # OT
+ 1907 501 1 0.417 10.070374 22.103806 5.6422819 # HT
+ 1908 501 1 0.417 8.5564729 22.103806 5.6422819 # HT
+ 1909 502 30 -0.834 9.3134232 19.054718 8.1054871 # OT
+ 1910 502 1 0.417 10.070374 19.6406 8.1054871 # HT
+ 1911 502 1 0.417 8.5564729 19.6406 8.1054871 # HT
+ 1912 503 30 -0.834 6.8502181 21.517923 8.1054871 # OT
+ 1913 503 1 0.417 7.6071684 22.103806 8.1054871 # HT
+ 1914 503 1 0.417 6.0932677 22.103806 8.1054871 # HT
+ 1915 504 38 1 6.8502181 19.054718 10.568692 # SOD
+ 1916 505 30 -0.834 9.3134232 21.517923 10.568692 # OT
+ 1917 505 1 0.417 10.070374 22.103806 10.568692 # HT
+ 1918 505 1 0.417 8.5564729 22.103806 10.568692 # HT
+ 1919 506 30 -0.834 9.3134232 19.054718 13.031897 # OT
+ 1920 506 1 0.417 10.070374 19.6406 13.031897 # HT
+ 1921 506 1 0.417 8.5564729 19.6406 13.031897 # HT
+ 1922 507 30 -0.834 6.8502181 21.517923 13.031897 # OT
+ 1923 507 1 0.417 7.6071684 22.103806 13.031897 # HT
+ 1924 507 1 0.417 6.0932677 22.103806 13.031897 # HT
+ 1925 508 30 -0.834 6.8502181 19.054718 15.495103 # OT
+ 1926 508 1 0.417 7.6071684 19.6406 15.495103 # HT
+ 1927 508 1 0.417 6.0932677 19.6406 15.495103 # HT
+ 1928 509 30 -0.834 9.3134232 21.517923 15.495103 # OT
+ 1929 509 1 0.417 10.070374 22.103806 15.495103 # HT
+ 1930 509 1 0.417 8.5564729 22.103806 15.495103 # HT
+ 1931 510 30 -0.834 9.3134232 19.054718 17.958308 # OT
+ 1932 510 1 0.417 10.070374 19.6406 17.958308 # HT
+ 1933 510 1 0.417 8.5564729 19.6406 17.958308 # HT
+ 1934 511 38 1 6.8502181 21.517923 17.958308 # SOD
+ 1935 512 30 -0.834 6.8502181 19.054718 20.421513 # OT
+ 1936 512 1 0.417 7.6071684 19.6406 20.421513 # HT
+ 1937 512 1 0.417 6.0932677 19.6406 20.421513 # HT
+ 1938 513 30 -0.834 9.3134232 21.517923 20.421513 # OT
+ 1939 513 1 0.417 10.070374 22.103806 20.421513 # HT
+ 1940 513 1 0.417 8.5564729 22.103806 20.421513 # HT
+ 1941 514 30 -0.834 9.3134232 19.054718 22.884718 # OT
+ 1942 514 1 0.417 10.070374 19.6406 22.884718 # HT
+ 1943 514 1 0.417 8.5564729 19.6406 22.884718 # HT
+ 1944 515 30 -0.834 6.8502181 21.517923 22.884718 # OT
+ 1945 515 1 0.417 7.6071684 22.103806 22.884718 # HT
+ 1946 515 1 0.417 6.0932677 22.103806 22.884718 # HT
+ 1947 516 30 -0.834 6.8502181 19.054718 25.347923 # OT
+ 1948 516 1 0.417 7.6071684 19.6406 25.347923 # HT
+ 1949 516 1 0.417 6.0932677 19.6406 25.347923 # HT
+ 1950 517 30 -0.834 9.3134232 21.517923 25.347923 # OT
+ 1951 517 1 0.417 10.070374 22.103806 25.347923 # HT
+ 1952 517 1 0.417 8.5564729 22.103806 25.347923 # HT
+ 1953 518 30 -0.834 9.3134232 19.054718 27.811128 # OT
+ 1954 518 1 0.417 10.070374 19.6406 27.811128 # HT
+ 1955 518 1 0.417 8.5564729 19.6406 27.811128 # HT
+ 1956 519 30 -0.834 6.8502181 21.517923 27.811128 # OT
+ 1957 519 1 0.417 7.6071684 22.103806 27.811128 # HT
+ 1958 519 1 0.417 6.0932677 22.103806 27.811128 # HT
+ 1959 520 30 -0.834 6.8502181 19.054718 30.274334 # OT
+ 1960 520 1 0.417 7.6071684 19.6406 30.274334 # HT
+ 1961 520 1 0.417 6.0932677 19.6406 30.274334 # HT
+ 1962 521 30 -0.834 9.3134232 21.517923 30.274334 # OT
+ 1963 521 1 0.417 10.070374 22.103806 30.274334 # HT
+ 1964 521 1 0.417 8.5564729 22.103806 30.274334 # HT
+ 1965 522 38 1 9.3134232 19.054718 32.737539 # SOD
+ 1966 523 30 -0.834 6.8502181 21.517923 32.737539 # OT
+ 1967 523 1 0.417 7.6071684 22.103806 32.737539 # HT
+ 1968 523 1 0.417 6.0932677 22.103806 32.737539 # HT
+
+Bond Coeffs
+
+ 1 302 1.403 # CN1 CN3T
+ 2 302 1.36 # CN1 CN5G
+ 3 380 1.367 # CN1 NN2
+ 4 340 1.396 # CN1 NN2G
+ 5 340 1.389 # CN1 NN2U
+ 6 350 1.335 # CN1 NN3
+ 7 660 1.234 # CN1 ON1
+ 8 620 1.245 # CN1 ON1C
+ 9 302 1.348 # CN1T NN2B
+ 10 340 1.383 # CN1T NN2U
+ 11 860 1.23 # CN1T ON1
+ 12 320 1.406 # CN2 CN3
+ 13 360 1.358 # CN2 CN5
+ 14 360 1.366 # CN2 NN1
+ 15 400 1.392 # CN2 NN2G
+ 16 450 1.343 # CN2 NN3
+ 17 400 1.342 # CN2 NN3A
+ 18 320 1.326 # CN2 NN3G
+ 19 500 1.326 # CN3 CN3
+ 20 560 1.32 # CN3 CN3T
+ 21 350 1.09 # CN3 HN3
+ 22 302 1.343 # CN3 NN2
+ 23 320 1.343 # CN3 NN2B
+ 24 230 1.478 # CN3T CN9
+ 25 380 1.09 # CN4 HN3
+ 26 320 1.374 # CN4 NN2
+ 27 300 1.378 # CN4 NN2B
+ 28 420 1.322 # CN4 NN3A
+ 29 400 1.305 # CN4 NN4
+ 30 310 1.361 # CN5 CN5
+ 31 320 1.35 # CN5 CN5G
+ 32 300 1.375 # CN5 NN2
+ 33 302 1.375 # CN5 NN2B
+ 34 350 1.312 # CN5 NN3A
+ 35 350 1.315 # CN5 NN3G
+ 36 310 1.355 # CN5 NN4
+ 37 310 1.365 # CN5G NN4
+ 38 222.5 1.529 # CN7 CN7
+ 39 222.5 1.46 # CN7 CN7B
+ 40 222.5 1.512 # CN7 CN8B
+ 41 309 1.111 # CN7 HN7
+ 42 310 1.433 # CN7 ON2
+ 43 240 1.48 # CN7 ON6B
+ 44 200 1.45 # CN7B CN7B
+ 45 309 1.111 # CN7B HN7
+ 46 220 1.456 # CN7B NN2
+ 47 220 1.458 # CN7B NN2B
+ 48 428 1.4 # CN7B ON5
+ 49 260 1.42 # CN7B ON6B
+ 50 309 1.111 # CN8B HN8
+ 51 320 1.44 # CN8B ON2
+ 52 322 1.111 # CN9 HN9
+ 53 488 1 # HN1 NN1
+ 54 471 1.01 # HN2 NN2G
+ 55 474 1.01 # HN2 NN2U
+ 56 545 0.96 # HN5 ON5
+ 57 450 0.9572 # HT OT
+ 58 270 1.6 # ON2 P
+ 59 580 1.48 # ON3 P
+
+Bonds
+
+ 1 59 1 2 # ON3 P
+ 2 59 1 3 # ON3 P
+ 3 58 1 4 # ON2 P
+ 4 51 4 5 # CN8B ON2
+ 5 40 5 8 # CN7 CN8B
+ 6 50 5 6 # CN8B HN8
+ 7 50 5 7 # CN8B HN8
+ 8 43 8 10 # CN7 ON6B
+ 9 38 8 31 # CN7 CN7
+ 10 41 8 9 # CN7 HN7
+ 11 49 10 11 # CN7B ON6B
+ 12 46 11 13 # CN7B NN2
+ 13 44 11 27 # CN7B CN7B
+ 14 45 11 12 # CN7B HN7
+ 15 32 13 22 # CN5 NN2
+ 16 26 13 16 # CN4 NN2
+ 17 36 14 15 # CN5 NN4
+ 18 29 15 16 # CN4 NN4
+ 19 25 16 17 # CN4 HN3
+ 20 17 18 23 # CN2 NN3A
+ 21 28 19 18 # CN4 NN3A
+ 22 25 19 20 # CN4 HN3
+ 23 28 19 21 # CN4 NN3A
+ 24 34 22 21 # CN5 NN3A
+ 25 30 22 14 # CN5 CN5
+ 26 14 23 24 # CN2 NN1
+ 27 13 23 14 # CN2 CN5
+ 28 53 24 25 # HN1 NN1
+ 29 53 24 26 # HN1 NN1
+ 30 39 27 31 # CN7 CN7B
+ 31 48 27 29 # CN7B ON5
+ 32 45 27 28 # CN7B HN7
+ 33 56 29 30 # HN5 ON5
+ 34 42 31 33 # CN7 ON2
+ 35 41 31 32 # CN7 HN7
+ 36 58 33 34 # ON2 P
+ 37 59 34 35 # ON3 P
+ 38 59 34 36 # ON3 P
+ 39 58 34 37 # ON2 P
+ 40 51 37 38 # CN8B ON2
+ 41 40 38 41 # CN7 CN8B
+ 42 50 38 39 # CN8B HN8
+ 43 50 38 40 # CN8B HN8
+ 44 43 41 43 # CN7 ON6B
+ 45 38 41 64 # CN7 CN7
+ 46 41 41 42 # CN7 HN7
+ 47 49 43 44 # CN7B ON6B
+ 48 47 44 46 # CN7B NN2B
+ 49 44 44 60 # CN7B CN7B
+ 50 45 44 45 # CN7B HN7
+ 51 9 46 49 # CN1T NN2B
+ 52 23 46 47 # CN3 NN2B
+ 53 21 47 48 # CN3 HN3
+ 54 10 49 51 # CN1T NN2U
+ 55 11 49 50 # CN1T ON1
+ 56 55 51 52 # HN2 NN2U
+ 57 5 51 53 # CN1 NN2U
+ 58 1 53 55 # CN1 CN3T
+ 59 7 53 54 # CN1 ON1
+ 60 24 55 56 # CN3T CN9
+ 61 20 55 47 # CN3 CN3T
+ 62 52 56 57 # CN9 HN9
+ 63 52 56 58 # CN9 HN9
+ 64 52 56 59 # CN9 HN9
+ 65 39 60 64 # CN7 CN7B
+ 66 48 60 62 # CN7B ON5
+ 67 45 60 61 # CN7B HN7
+ 68 56 62 63 # HN5 ON5
+ 69 42 64 66 # CN7 ON2
+ 70 41 64 65 # CN7 HN7
+ 71 58 66 67 # ON2 P
+ 72 59 67 68 # ON3 P
+ 73 59 67 69 # ON3 P
+ 74 58 67 70 # ON2 P
+ 75 51 70 71 # CN8B ON2
+ 76 40 71 74 # CN7 CN8B
+ 77 50 71 72 # CN8B HN8
+ 78 50 71 73 # CN8B HN8
+ 79 43 74 76 # CN7 ON6B
+ 80 38 74 95 # CN7 CN7
+ 81 41 74 75 # CN7 HN7
+ 82 49 76 77 # CN7B ON6B
+ 83 46 77 79 # CN7B NN2
+ 84 44 77 91 # CN7B CN7B
+ 85 45 77 78 # CN7B HN7
+ 86 3 79 84 # CN1 NN2
+ 87 22 79 80 # CN3 NN2
+ 88 21 80 81 # CN3 HN3
+ 89 21 82 83 # CN3 HN3
+ 90 19 82 80 # CN3 CN3
+ 91 6 84 86 # CN1 NN3
+ 92 8 84 85 # CN1 ON1C
+ 93 16 86 87 # CN2 NN3
+ 94 14 87 88 # CN2 NN1
+ 95 12 87 82 # CN2 CN3
+ 96 53 88 89 # HN1 NN1
+ 97 53 88 90 # HN1 NN1
+ 98 39 91 95 # CN7 CN7B
+ 99 48 91 93 # CN7B ON5
+ 100 45 91 92 # CN7B HN7
+ 101 56 93 94 # HN5 ON5
+ 102 42 95 97 # CN7 ON2
+ 103 41 95 96 # CN7 HN7
+ 104 58 97 98 # ON2 P
+ 105 59 98 99 # ON3 P
+ 106 59 98 100 # ON3 P
+ 107 58 98 101 # ON2 P
+ 108 51 101 102 # CN8B ON2
+ 109 40 102 105 # CN7 CN8B
+ 110 50 102 103 # CN8B HN8
+ 111 50 102 104 # CN8B HN8
+ 112 43 105 107 # CN7 ON6B
+ 113 38 105 126 # CN7 CN7
+ 114 41 105 106 # CN7 HN7
+ 115 49 107 108 # CN7B ON6B
+ 116 46 108 110 # CN7B NN2
+ 117 44 108 122 # CN7B CN7B
+ 118 45 108 109 # CN7B HN7
+ 119 3 110 115 # CN1 NN2
+ 120 22 110 111 # CN3 NN2
+ 121 21 111 112 # CN3 HN3
+ 122 21 113 114 # CN3 HN3
+ 123 19 113 111 # CN3 CN3
+ 124 6 115 117 # CN1 NN3
+ 125 8 115 116 # CN1 ON1C
+ 126 16 117 118 # CN2 NN3
+ 127 14 118 119 # CN2 NN1
+ 128 12 118 113 # CN2 CN3
+ 129 53 119 120 # HN1 NN1
+ 130 53 119 121 # HN1 NN1
+ 131 39 122 126 # CN7 CN7B
+ 132 48 122 124 # CN7B ON5
+ 133 45 122 123 # CN7B HN7
+ 134 56 124 125 # HN5 ON5
+ 135 42 126 128 # CN7 ON2
+ 136 41 126 127 # CN7 HN7
+ 137 58 128 129 # ON2 P
+ 138 59 129 130 # ON3 P
+ 139 59 129 131 # ON3 P
+ 140 58 129 132 # ON2 P
+ 141 51 132 133 # CN8B ON2
+ 142 40 133 136 # CN7 CN8B
+ 143 50 133 134 # CN8B HN8
+ 144 50 133 135 # CN8B HN8
+ 145 43 136 138 # CN7 ON6B
+ 146 38 136 159 # CN7 CN7
+ 147 41 136 137 # CN7 HN7
+ 148 49 138 139 # CN7B ON6B
+ 149 47 139 141 # CN7B NN2B
+ 150 44 139 155 # CN7B CN7B
+ 151 45 139 140 # CN7B HN7
+ 152 9 141 144 # CN1T NN2B
+ 153 23 141 142 # CN3 NN2B
+ 154 21 142 143 # CN3 HN3
+ 155 10 144 146 # CN1T NN2U
+ 156 11 144 145 # CN1T ON1
+ 157 55 146 147 # HN2 NN2U
+ 158 5 146 148 # CN1 NN2U
+ 159 1 148 150 # CN1 CN3T
+ 160 7 148 149 # CN1 ON1
+ 161 24 150 151 # CN3T CN9
+ 162 20 150 142 # CN3 CN3T
+ 163 52 151 152 # CN9 HN9
+ 164 52 151 153 # CN9 HN9
+ 165 52 151 154 # CN9 HN9
+ 166 39 155 159 # CN7 CN7B
+ 167 48 155 157 # CN7B ON5
+ 168 45 155 156 # CN7B HN7
+ 169 56 157 158 # HN5 ON5
+ 170 42 159 161 # CN7 ON2
+ 171 41 159 160 # CN7 HN7
+ 172 58 161 162 # ON2 P
+ 173 59 162 163 # ON3 P
+ 174 59 162 164 # ON3 P
+ 175 58 162 165 # ON2 P
+ 176 51 165 166 # CN8B ON2
+ 177 40 166 169 # CN7 CN8B
+ 178 50 166 167 # CN8B HN8
+ 179 50 166 168 # CN8B HN8
+ 180 43 169 171 # CN7 ON6B
+ 181 38 169 192 # CN7 CN7
+ 182 41 169 170 # CN7 HN7
+ 183 49 171 172 # CN7B ON6B
+ 184 46 172 174 # CN7B NN2
+ 185 44 172 188 # CN7B CN7B
+ 186 45 172 173 # CN7B HN7
+ 187 32 174 183 # CN5 NN2
+ 188 26 174 177 # CN4 NN2
+ 189 36 175 176 # CN5 NN4
+ 190 29 176 177 # CN4 NN4
+ 191 25 177 178 # CN4 HN3
+ 192 17 179 184 # CN2 NN3A
+ 193 28 180 179 # CN4 NN3A
+ 194 25 180 181 # CN4 HN3
+ 195 28 180 182 # CN4 NN3A
+ 196 34 183 182 # CN5 NN3A
+ 197 30 183 175 # CN5 CN5
+ 198 14 184 185 # CN2 NN1
+ 199 13 184 175 # CN2 CN5
+ 200 53 185 186 # HN1 NN1
+ 201 53 185 187 # HN1 NN1
+ 202 39 188 192 # CN7 CN7B
+ 203 48 188 190 # CN7B ON5
+ 204 45 188 189 # CN7B HN7
+ 205 56 190 191 # HN5 ON5
+ 206 42 192 194 # CN7 ON2
+ 207 41 192 193 # CN7 HN7
+ 208 58 194 195 # ON2 P
+ 209 59 195 196 # ON3 P
+ 210 59 195 197 # ON3 P
+ 211 58 195 198 # ON2 P
+ 212 51 198 199 # CN8B ON2
+ 213 40 199 202 # CN7 CN8B
+ 214 50 199 200 # CN8B HN8
+ 215 50 199 201 # CN8B HN8
+ 216 43 202 204 # CN7 ON6B
+ 217 38 202 226 # CN7 CN7
+ 218 41 202 203 # CN7 HN7
+ 219 49 204 205 # CN7B ON6B
+ 220 47 205 207 # CN7B NN2B
+ 221 44 205 222 # CN7B CN7B
+ 222 45 205 206 # CN7B HN7
+ 223 33 207 208 # CN5 NN2B
+ 224 27 207 220 # CN4 NN2B
+ 225 35 208 212 # CN5 NN3G
+ 226 31 208 218 # CN5 CN5G
+ 227 53 209 210 # HN1 NN1
+ 228 53 209 211 # HN1 NN1
+ 229 14 213 209 # CN2 NN1
+ 230 15 213 214 # CN2 NN2G
+ 231 18 213 212 # CN2 NN3G
+ 232 54 214 215 # HN2 NN2G
+ 233 4 214 216 # CN1 NN2G
+ 234 2 216 218 # CN1 CN5G
+ 235 7 216 217 # CN1 ON1
+ 236 37 218 219 # CN5G NN4
+ 237 29 219 220 # CN4 NN4
+ 238 25 220 221 # CN4 HN3
+ 239 39 222 226 # CN7 CN7B
+ 240 48 222 224 # CN7B ON5
+ 241 45 222 223 # CN7B HN7
+ 242 56 224 225 # HN5 ON5
+ 243 42 226 228 # CN7 ON2
+ 244 41 226 227 # CN7 HN7
+ 245 58 228 229 # ON2 P
+ 246 59 229 230 # ON3 P
+ 247 59 229 231 # ON3 P
+ 248 58 229 232 # ON2 P
+ 249 51 232 233 # CN8B ON2
+ 250 40 233 236 # CN7 CN8B
+ 251 50 233 234 # CN8B HN8
+ 252 50 233 235 # CN8B HN8
+ 253 43 236 238 # CN7 ON6B
+ 254 38 236 259 # CN7 CN7
+ 255 41 236 237 # CN7 HN7
+ 256 49 238 239 # CN7B ON6B
+ 257 47 239 241 # CN7B NN2B
+ 258 44 239 255 # CN7B CN7B
+ 259 45 239 240 # CN7B HN7
+ 260 9 241 244 # CN1T NN2B
+ 261 23 241 242 # CN3 NN2B
+ 262 21 242 243 # CN3 HN3
+ 263 10 244 246 # CN1T NN2U
+ 264 11 244 245 # CN1T ON1
+ 265 55 246 247 # HN2 NN2U
+ 266 5 246 248 # CN1 NN2U
+ 267 1 248 250 # CN1 CN3T
+ 268 7 248 249 # CN1 ON1
+ 269 24 250 251 # CN3T CN9
+ 270 20 250 242 # CN3 CN3T
+ 271 52 251 252 # CN9 HN9
+ 272 52 251 253 # CN9 HN9
+ 273 52 251 254 # CN9 HN9
+ 274 39 255 259 # CN7 CN7B
+ 275 48 255 257 # CN7B ON5
+ 276 45 255 256 # CN7B HN7
+ 277 56 257 258 # HN5 ON5
+ 278 42 259 261 # CN7 ON2
+ 279 41 259 260 # CN7 HN7
+ 280 58 261 262 # ON2 P
+ 281 59 262 263 # ON3 P
+ 282 59 262 264 # ON3 P
+ 283 58 262 265 # ON2 P
+ 284 51 265 266 # CN8B ON2
+ 285 40 266 269 # CN7 CN8B
+ 286 50 266 267 # CN8B HN8
+ 287 50 266 268 # CN8B HN8
+ 288 43 269 271 # CN7 ON6B
+ 289 38 269 292 # CN7 CN7
+ 290 41 269 270 # CN7 HN7
+ 291 49 271 272 # CN7B ON6B
+ 292 47 272 274 # CN7B NN2B
+ 293 44 272 288 # CN7B CN7B
+ 294 45 272 273 # CN7B HN7
+ 295 9 274 277 # CN1T NN2B
+ 296 23 274 275 # CN3 NN2B
+ 297 21 275 276 # CN3 HN3
+ 298 10 277 279 # CN1T NN2U
+ 299 11 277 278 # CN1T ON1
+ 300 55 279 280 # HN2 NN2U
+ 301 5 279 281 # CN1 NN2U
+ 302 1 281 283 # CN1 CN3T
+ 303 7 281 282 # CN1 ON1
+ 304 24 283 284 # CN3T CN9
+ 305 20 283 275 # CN3 CN3T
+ 306 52 284 285 # CN9 HN9
+ 307 52 284 286 # CN9 HN9
+ 308 52 284 287 # CN9 HN9
+ 309 39 288 292 # CN7 CN7B
+ 310 48 288 290 # CN7B ON5
+ 311 45 288 289 # CN7B HN7
+ 312 56 290 291 # HN5 ON5
+ 313 42 292 294 # CN7 ON2
+ 314 41 292 293 # CN7 HN7
+ 315 58 294 295 # ON2 P
+ 316 59 295 296 # ON3 P
+ 317 59 295 297 # ON3 P
+ 318 58 295 298 # ON2 P
+ 319 51 298 299 # CN8B ON2
+ 320 40 299 302 # CN7 CN8B
+ 321 50 299 300 # CN8B HN8
+ 322 50 299 301 # CN8B HN8
+ 323 43 302 304 # CN7 ON6B
+ 324 38 302 325 # CN7 CN7
+ 325 41 302 303 # CN7 HN7
+ 326 49 304 305 # CN7B ON6B
+ 327 46 305 307 # CN7B NN2
+ 328 44 305 321 # CN7B CN7B
+ 329 45 305 306 # CN7B HN7
+ 330 32 307 316 # CN5 NN2
+ 331 26 307 310 # CN4 NN2
+ 332 36 308 309 # CN5 NN4
+ 333 29 309 310 # CN4 NN4
+ 334 25 310 311 # CN4 HN3
+ 335 17 312 317 # CN2 NN3A
+ 336 28 313 312 # CN4 NN3A
+ 337 25 313 314 # CN4 HN3
+ 338 28 313 315 # CN4 NN3A
+ 339 34 316 315 # CN5 NN3A
+ 340 30 316 308 # CN5 CN5
+ 341 14 317 318 # CN2 NN1
+ 342 13 317 308 # CN2 CN5
+ 343 53 318 319 # HN1 NN1
+ 344 53 318 320 # HN1 NN1
+ 345 39 321 325 # CN7 CN7B
+ 346 48 321 323 # CN7B ON5
+ 347 45 321 322 # CN7B HN7
+ 348 56 323 324 # HN5 ON5
+ 349 42 325 327 # CN7 ON2
+ 350 41 325 326 # CN7 HN7
+ 351 58 327 328 # ON2 P
+ 352 59 328 329 # ON3 P
+ 353 59 328 330 # ON3 P
+ 354 58 328 331 # ON2 P
+ 355 51 331 332 # CN8B ON2
+ 356 40 332 335 # CN7 CN8B
+ 357 50 332 333 # CN8B HN8
+ 358 50 332 334 # CN8B HN8
+ 359 43 335 337 # CN7 ON6B
+ 360 38 335 358 # CN7 CN7
+ 361 41 335 336 # CN7 HN7
+ 362 49 337 338 # CN7B ON6B
+ 363 47 338 340 # CN7B NN2B
+ 364 44 338 354 # CN7B CN7B
+ 365 45 338 339 # CN7B HN7
+ 366 9 340 343 # CN1T NN2B
+ 367 23 340 341 # CN3 NN2B
+ 368 21 341 342 # CN3 HN3
+ 369 10 343 345 # CN1T NN2U
+ 370 11 343 344 # CN1T ON1
+ 371 55 345 346 # HN2 NN2U
+ 372 5 345 347 # CN1 NN2U
+ 373 1 347 349 # CN1 CN3T
+ 374 7 347 348 # CN1 ON1
+ 375 24 349 350 # CN3T CN9
+ 376 20 349 341 # CN3 CN3T
+ 377 52 350 351 # CN9 HN9
+ 378 52 350 352 # CN9 HN9
+ 379 52 350 353 # CN9 HN9
+ 380 39 354 358 # CN7 CN7B
+ 381 48 354 356 # CN7B ON5
+ 382 45 354 355 # CN7B HN7
+ 383 56 356 357 # HN5 ON5
+ 384 42 358 360 # CN7 ON2
+ 385 41 358 359 # CN7 HN7
+ 386 58 360 361 # ON2 P
+ 387 59 361 362 # ON3 P
+ 388 59 361 363 # ON3 P
+ 389 58 361 364 # ON2 P
+ 390 51 364 365 # CN8B ON2
+ 391 40 365 368 # CN7 CN8B
+ 392 50 365 366 # CN8B HN8
+ 393 50 365 367 # CN8B HN8
+ 394 43 368 370 # CN7 ON6B
+ 395 38 368 391 # CN7 CN7
+ 396 41 368 369 # CN7 HN7
+ 397 49 370 371 # CN7B ON6B
+ 398 46 371 373 # CN7B NN2
+ 399 44 371 387 # CN7B CN7B
+ 400 45 371 372 # CN7B HN7
+ 401 32 373 382 # CN5 NN2
+ 402 26 373 376 # CN4 NN2
+ 403 36 374 375 # CN5 NN4
+ 404 29 375 376 # CN4 NN4
+ 405 25 376 377 # CN4 HN3
+ 406 17 378 383 # CN2 NN3A
+ 407 28 379 378 # CN4 NN3A
+ 408 25 379 380 # CN4 HN3
+ 409 28 379 381 # CN4 NN3A
+ 410 34 382 381 # CN5 NN3A
+ 411 30 382 374 # CN5 CN5
+ 412 14 383 384 # CN2 NN1
+ 413 13 383 374 # CN2 CN5
+ 414 53 384 385 # HN1 NN1
+ 415 53 384 386 # HN1 NN1
+ 416 39 387 391 # CN7 CN7B
+ 417 48 387 389 # CN7B ON5
+ 418 45 387 388 # CN7B HN7
+ 419 56 389 390 # HN5 ON5
+ 420 42 391 393 # CN7 ON2
+ 421 41 391 392 # CN7 HN7
+ 422 58 393 394 # ON2 P
+ 423 59 394 395 # ON3 P
+ 424 59 394 396 # ON3 P
+ 425 58 394 397 # ON2 P
+ 426 51 397 398 # CN8B ON2
+ 427 40 398 401 # CN7 CN8B
+ 428 50 398 399 # CN8B HN8
+ 429 50 398 400 # CN8B HN8
+ 430 43 401 403 # CN7 ON6B
+ 431 38 401 425 # CN7 CN7
+ 432 41 401 402 # CN7 HN7
+ 433 49 403 404 # CN7B ON6B
+ 434 47 404 406 # CN7B NN2B
+ 435 44 404 421 # CN7B CN7B
+ 436 45 404 405 # CN7B HN7
+ 437 33 406 407 # CN5 NN2B
+ 438 27 406 419 # CN4 NN2B
+ 439 35 407 411 # CN5 NN3G
+ 440 31 407 417 # CN5 CN5G
+ 441 53 408 409 # HN1 NN1
+ 442 53 408 410 # HN1 NN1
+ 443 14 412 408 # CN2 NN1
+ 444 15 412 413 # CN2 NN2G
+ 445 18 412 411 # CN2 NN3G
+ 446 54 413 414 # HN2 NN2G
+ 447 4 413 415 # CN1 NN2G
+ 448 2 415 417 # CN1 CN5G
+ 449 7 415 416 # CN1 ON1
+ 450 37 417 418 # CN5G NN4
+ 451 29 418 419 # CN4 NN4
+ 452 25 419 420 # CN4 HN3
+ 453 39 421 425 # CN7 CN7B
+ 454 48 421 423 # CN7B ON5
+ 455 45 421 422 # CN7B HN7
+ 456 56 423 424 # HN5 ON5
+ 457 42 425 427 # CN7 ON2
+ 458 41 425 426 # CN7 HN7
+ 459 58 427 428 # ON2 P
+ 460 59 428 429 # ON3 P
+ 461 59 428 430 # ON3 P
+ 462 58 428 431 # ON2 P
+ 463 51 431 432 # CN8B ON2
+ 464 40 432 435 # CN7 CN8B
+ 465 50 432 433 # CN8B HN8
+ 466 50 432 434 # CN8B HN8
+ 467 43 435 437 # CN7 ON6B
+ 468 38 435 459 # CN7 CN7
+ 469 41 435 436 # CN7 HN7
+ 470 49 437 438 # CN7B ON6B
+ 471 47 438 440 # CN7B NN2B
+ 472 44 438 455 # CN7B CN7B
+ 473 45 438 439 # CN7B HN7
+ 474 33 440 441 # CN5 NN2B
+ 475 27 440 453 # CN4 NN2B
+ 476 35 441 445 # CN5 NN3G
+ 477 31 441 451 # CN5 CN5G
+ 478 53 442 443 # HN1 NN1
+ 479 53 442 444 # HN1 NN1
+ 480 14 446 442 # CN2 NN1
+ 481 15 446 447 # CN2 NN2G
+ 482 18 446 445 # CN2 NN3G
+ 483 54 447 448 # HN2 NN2G
+ 484 4 447 449 # CN1 NN2G
+ 485 2 449 451 # CN1 CN5G
+ 486 7 449 450 # CN1 ON1
+ 487 37 451 452 # CN5G NN4
+ 488 29 452 453 # CN4 NN4
+ 489 25 453 454 # CN4 HN3
+ 490 39 455 459 # CN7 CN7B
+ 491 48 455 457 # CN7B ON5
+ 492 45 455 456 # CN7B HN7
+ 493 56 457 458 # HN5 ON5
+ 494 42 459 461 # CN7 ON2
+ 495 41 459 460 # CN7 HN7
+ 496 58 461 462 # ON2 P
+ 497 59 462 463 # ON3 P
+ 498 59 462 464 # ON3 P
+ 499 58 462 465 # ON2 P
+ 500 51 465 466 # CN8B ON2
+ 501 40 466 469 # CN7 CN8B
+ 502 50 466 467 # CN8B HN8
+ 503 50 466 468 # CN8B HN8
+ 504 43 469 471 # CN7 ON6B
+ 505 38 469 492 # CN7 CN7
+ 506 41 469 470 # CN7 HN7
+ 507 49 471 472 # CN7B ON6B
+ 508 46 472 474 # CN7B NN2
+ 509 44 472 488 # CN7B CN7B
+ 510 45 472 473 # CN7B HN7
+ 511 32 474 483 # CN5 NN2
+ 512 26 474 477 # CN4 NN2
+ 513 36 475 476 # CN5 NN4
+ 514 29 476 477 # CN4 NN4
+ 515 25 477 478 # CN4 HN3
+ 516 17 479 484 # CN2 NN3A
+ 517 28 480 479 # CN4 NN3A
+ 518 25 480 481 # CN4 HN3
+ 519 28 480 482 # CN4 NN3A
+ 520 34 483 482 # CN5 NN3A
+ 521 30 483 475 # CN5 CN5
+ 522 14 484 485 # CN2 NN1
+ 523 13 484 475 # CN2 CN5
+ 524 53 485 486 # HN1 NN1
+ 525 53 485 487 # HN1 NN1
+ 526 39 488 492 # CN7 CN7B
+ 527 48 488 490 # CN7B ON5
+ 528 45 488 489 # CN7B HN7
+ 529 56 490 491 # HN5 ON5
+ 530 42 492 494 # CN7 ON2
+ 531 41 492 493 # CN7 HN7
+ 532 58 494 495 # ON2 P
+ 533 59 495 496 # ON3 P
+ 534 59 495 497 # ON3 P
+ 535 58 495 498 # ON2 P
+ 536 51 498 499 # CN8B ON2
+ 537 40 499 502 # CN7 CN8B
+ 538 50 499 500 # CN8B HN8
+ 539 50 499 501 # CN8B HN8
+ 540 43 502 504 # CN7 ON6B
+ 541 38 502 525 # CN7 CN7
+ 542 41 502 503 # CN7 HN7
+ 543 49 504 505 # CN7B ON6B
+ 544 47 505 507 # CN7B NN2B
+ 545 44 505 521 # CN7B CN7B
+ 546 45 505 506 # CN7B HN7
+ 547 9 507 510 # CN1T NN2B
+ 548 23 507 508 # CN3 NN2B
+ 549 21 508 509 # CN3 HN3
+ 550 10 510 512 # CN1T NN2U
+ 551 11 510 511 # CN1T ON1
+ 552 55 512 513 # HN2 NN2U
+ 553 5 512 514 # CN1 NN2U
+ 554 1 514 516 # CN1 CN3T
+ 555 7 514 515 # CN1 ON1
+ 556 24 516 517 # CN3T CN9
+ 557 20 516 508 # CN3 CN3T
+ 558 52 517 518 # CN9 HN9
+ 559 52 517 519 # CN9 HN9
+ 560 52 517 520 # CN9 HN9
+ 561 39 521 525 # CN7 CN7B
+ 562 48 521 523 # CN7B ON5
+ 563 45 521 522 # CN7B HN7
+ 564 56 523 524 # HN5 ON5
+ 565 42 525 527 # CN7 ON2
+ 566 41 525 526 # CN7 HN7
+ 567 57 528 529 # HT OT
+ 568 57 528 530 # HT OT
+ 569 57 531 532 # HT OT
+ 570 57 531 533 # HT OT
+ 571 57 535 536 # HT OT
+ 572 57 535 537 # HT OT
+ 573 57 538 539 # HT OT
+ 574 57 538 540 # HT OT
+ 575 57 542 543 # HT OT
+ 576 57 542 544 # HT OT
+ 577 57 545 546 # HT OT
+ 578 57 545 547 # HT OT
+ 579 57 548 549 # HT OT
+ 580 57 548 550 # HT OT
+ 581 57 551 552 # HT OT
+ 582 57 551 553 # HT OT
+ 583 57 554 555 # HT OT
+ 584 57 554 556 # HT OT
+ 585 57 557 558 # HT OT
+ 586 57 557 559 # HT OT
+ 587 57 560 561 # HT OT
+ 588 57 560 562 # HT OT
+ 589 57 563 564 # HT OT
+ 590 57 563 565 # HT OT
+ 591 57 566 567 # HT OT
+ 592 57 566 568 # HT OT
+ 593 57 569 570 # HT OT
+ 594 57 569 571 # HT OT
+ 595 57 572 573 # HT OT
+ 596 57 572 574 # HT OT
+ 597 57 575 576 # HT OT
+ 598 57 575 577 # HT OT
+ 599 57 578 579 # HT OT
+ 600 57 578 580 # HT OT
+ 601 57 581 582 # HT OT
+ 602 57 581 583 # HT OT
+ 603 57 584 585 # HT OT
+ 604 57 584 586 # HT OT
+ 605 57 587 588 # HT OT
+ 606 57 587 589 # HT OT
+ 607 57 590 591 # HT OT
+ 608 57 590 592 # HT OT
+ 609 57 593 594 # HT OT
+ 610 57 593 595 # HT OT
+ 611 57 596 597 # HT OT
+ 612 57 596 598 # HT OT
+ 613 57 599 600 # HT OT
+ 614 57 599 601 # HT OT
+ 615 57 602 603 # HT OT
+ 616 57 602 604 # HT OT
+ 617 57 605 606 # HT OT
+ 618 57 605 607 # HT OT
+ 619 57 608 609 # HT OT
+ 620 57 608 610 # HT OT
+ 621 57 611 612 # HT OT
+ 622 57 611 613 # HT OT
+ 623 57 614 615 # HT OT
+ 624 57 614 616 # HT OT
+ 625 57 617 618 # HT OT
+ 626 57 617 619 # HT OT
+ 627 57 620 621 # HT OT
+ 628 57 620 622 # HT OT
+ 629 57 623 624 # HT OT
+ 630 57 623 625 # HT OT
+ 631 57 626 627 # HT OT
+ 632 57 626 628 # HT OT
+ 633 57 629 630 # HT OT
+ 634 57 629 631 # HT OT
+ 635 57 632 633 # HT OT
+ 636 57 632 634 # HT OT
+ 637 57 635 636 # HT OT
+ 638 57 635 637 # HT OT
+ 639 57 638 639 # HT OT
+ 640 57 638 640 # HT OT
+ 641 57 641 642 # HT OT
+ 642 57 641 643 # HT OT
+ 643 57 644 645 # HT OT
+ 644 57 644 646 # HT OT
+ 645 57 647 648 # HT OT
+ 646 57 647 649 # HT OT
+ 647 57 650 651 # HT OT
+ 648 57 650 652 # HT OT
+ 649 57 653 654 # HT OT
+ 650 57 653 655 # HT OT
+ 651 57 656 657 # HT OT
+ 652 57 656 658 # HT OT
+ 653 57 659 660 # HT OT
+ 654 57 659 661 # HT OT
+ 655 57 662 663 # HT OT
+ 656 57 662 664 # HT OT
+ 657 57 665 666 # HT OT
+ 658 57 665 667 # HT OT
+ 659 57 668 669 # HT OT
+ 660 57 668 670 # HT OT
+ 661 57 671 672 # HT OT
+ 662 57 671 673 # HT OT
+ 663 57 674 675 # HT OT
+ 664 57 674 676 # HT OT
+ 665 57 677 678 # HT OT
+ 666 57 677 679 # HT OT
+ 667 57 680 681 # HT OT
+ 668 57 680 682 # HT OT
+ 669 57 683 684 # HT OT
+ 670 57 683 685 # HT OT
+ 671 57 686 687 # HT OT
+ 672 57 686 688 # HT OT
+ 673 57 689 690 # HT OT
+ 674 57 689 691 # HT OT
+ 675 57 692 693 # HT OT
+ 676 57 692 694 # HT OT
+ 677 57 695 696 # HT OT
+ 678 57 695 697 # HT OT
+ 679 57 698 699 # HT OT
+ 680 57 698 700 # HT OT
+ 681 57 701 702 # HT OT
+ 682 57 701 703 # HT OT
+ 683 57 704 705 # HT OT
+ 684 57 704 706 # HT OT
+ 685 57 707 708 # HT OT
+ 686 57 707 709 # HT OT
+ 687 57 710 711 # HT OT
+ 688 57 710 712 # HT OT
+ 689 57 713 714 # HT OT
+ 690 57 713 715 # HT OT
+ 691 57 716 717 # HT OT
+ 692 57 716 718 # HT OT
+ 693 57 719 720 # HT OT
+ 694 57 719 721 # HT OT
+ 695 57 722 723 # HT OT
+ 696 57 722 724 # HT OT
+ 697 57 725 726 # HT OT
+ 698 57 725 727 # HT OT
+ 699 57 728 729 # HT OT
+ 700 57 728 730 # HT OT
+ 701 57 731 732 # HT OT
+ 702 57 731 733 # HT OT
+ 703 57 734 735 # HT OT
+ 704 57 734 736 # HT OT
+ 705 57 737 738 # HT OT
+ 706 57 737 739 # HT OT
+ 707 57 740 741 # HT OT
+ 708 57 740 742 # HT OT
+ 709 57 743 744 # HT OT
+ 710 57 743 745 # HT OT
+ 711 57 746 747 # HT OT
+ 712 57 746 748 # HT OT
+ 713 57 749 750 # HT OT
+ 714 57 749 751 # HT OT
+ 715 57 752 753 # HT OT
+ 716 57 752 754 # HT OT
+ 717 57 755 756 # HT OT
+ 718 57 755 757 # HT OT
+ 719 57 758 759 # HT OT
+ 720 57 758 760 # HT OT
+ 721 57 761 762 # HT OT
+ 722 57 761 763 # HT OT
+ 723 57 764 765 # HT OT
+ 724 57 764 766 # HT OT
+ 725 57 767 768 # HT OT
+ 726 57 767 769 # HT OT
+ 727 57 770 771 # HT OT
+ 728 57 770 772 # HT OT
+ 729 57 773 774 # HT OT
+ 730 57 773 775 # HT OT
+ 731 57 776 777 # HT OT
+ 732 57 776 778 # HT OT
+ 733 57 779 780 # HT OT
+ 734 57 779 781 # HT OT
+ 735 57 782 783 # HT OT
+ 736 57 782 784 # HT OT
+ 737 57 785 786 # HT OT
+ 738 57 785 787 # HT OT
+ 739 57 788 789 # HT OT
+ 740 57 788 790 # HT OT
+ 741 57 791 792 # HT OT
+ 742 57 791 793 # HT OT
+ 743 57 794 795 # HT OT
+ 744 57 794 796 # HT OT
+ 745 57 797 798 # HT OT
+ 746 57 797 799 # HT OT
+ 747 57 800 801 # HT OT
+ 748 57 800 802 # HT OT
+ 749 57 803 804 # HT OT
+ 750 57 803 805 # HT OT
+ 751 57 806 807 # HT OT
+ 752 57 806 808 # HT OT
+ 753 57 809 810 # HT OT
+ 754 57 809 811 # HT OT
+ 755 57 812 813 # HT OT
+ 756 57 812 814 # HT OT
+ 757 57 815 816 # HT OT
+ 758 57 815 817 # HT OT
+ 759 57 818 819 # HT OT
+ 760 57 818 820 # HT OT
+ 761 57 821 822 # HT OT
+ 762 57 821 823 # HT OT
+ 763 57 825 826 # HT OT
+ 764 57 825 827 # HT OT
+ 765 57 828 829 # HT OT
+ 766 57 828 830 # HT OT
+ 767 57 831 832 # HT OT
+ 768 57 831 833 # HT OT
+ 769 57 834 835 # HT OT
+ 770 57 834 836 # HT OT
+ 771 57 837 838 # HT OT
+ 772 57 837 839 # HT OT
+ 773 57 840 841 # HT OT
+ 774 57 840 842 # HT OT
+ 775 57 843 844 # HT OT
+ 776 57 843 845 # HT OT
+ 777 57 846 847 # HT OT
+ 778 57 846 848 # HT OT
+ 779 57 849 850 # HT OT
+ 780 57 849 851 # HT OT
+ 781 57 852 853 # HT OT
+ 782 57 852 854 # HT OT
+ 783 57 855 856 # HT OT
+ 784 57 855 857 # HT OT
+ 785 57 859 860 # HT OT
+ 786 57 859 861 # HT OT
+ 787 57 862 863 # HT OT
+ 788 57 862 864 # HT OT
+ 789 57 866 867 # HT OT
+ 790 57 866 868 # HT OT
+ 791 57 869 870 # HT OT
+ 792 57 869 871 # HT OT
+ 793 57 872 873 # HT OT
+ 794 57 872 874 # HT OT
+ 795 57 875 876 # HT OT
+ 796 57 875 877 # HT OT
+ 797 57 878 879 # HT OT
+ 798 57 878 880 # HT OT
+ 799 57 881 882 # HT OT
+ 800 57 881 883 # HT OT
+ 801 57 884 885 # HT OT
+ 802 57 884 886 # HT OT
+ 803 57 887 888 # HT OT
+ 804 57 887 889 # HT OT
+ 805 57 890 891 # HT OT
+ 806 57 890 892 # HT OT
+ 807 57 893 894 # HT OT
+ 808 57 893 895 # HT OT
+ 809 57 896 897 # HT OT
+ 810 57 896 898 # HT OT
+ 811 57 899 900 # HT OT
+ 812 57 899 901 # HT OT
+ 813 57 902 903 # HT OT
+ 814 57 902 904 # HT OT
+ 815 57 905 906 # HT OT
+ 816 57 905 907 # HT OT
+ 817 57 908 909 # HT OT
+ 818 57 908 910 # HT OT
+ 819 57 911 912 # HT OT
+ 820 57 911 913 # HT OT
+ 821 57 914 915 # HT OT
+ 822 57 914 916 # HT OT
+ 823 57 917 918 # HT OT
+ 824 57 917 919 # HT OT
+ 825 57 920 921 # HT OT
+ 826 57 920 922 # HT OT
+ 827 57 923 924 # HT OT
+ 828 57 923 925 # HT OT
+ 829 57 926 927 # HT OT
+ 830 57 926 928 # HT OT
+ 831 57 929 930 # HT OT
+ 832 57 929 931 # HT OT
+ 833 57 932 933 # HT OT
+ 834 57 932 934 # HT OT
+ 835 57 935 936 # HT OT
+ 836 57 935 937 # HT OT
+ 837 57 938 939 # HT OT
+ 838 57 938 940 # HT OT
+ 839 57 941 942 # HT OT
+ 840 57 941 943 # HT OT
+ 841 57 944 945 # HT OT
+ 842 57 944 946 # HT OT
+ 843 57 947 948 # HT OT
+ 844 57 947 949 # HT OT
+ 845 57 950 951 # HT OT
+ 846 57 950 952 # HT OT
+ 847 57 953 954 # HT OT
+ 848 57 953 955 # HT OT
+ 849 57 956 957 # HT OT
+ 850 57 956 958 # HT OT
+ 851 57 959 960 # HT OT
+ 852 57 959 961 # HT OT
+ 853 57 962 963 # HT OT
+ 854 57 962 964 # HT OT
+ 855 57 965 966 # HT OT
+ 856 57 965 967 # HT OT
+ 857 57 968 969 # HT OT
+ 858 57 968 970 # HT OT
+ 859 57 971 972 # HT OT
+ 860 57 971 973 # HT OT
+ 861 57 974 975 # HT OT
+ 862 57 974 976 # HT OT
+ 863 57 977 978 # HT OT
+ 864 57 977 979 # HT OT
+ 865 57 980 981 # HT OT
+ 866 57 980 982 # HT OT
+ 867 57 983 984 # HT OT
+ 868 57 983 985 # HT OT
+ 869 57 986 987 # HT OT
+ 870 57 986 988 # HT OT
+ 871 57 989 990 # HT OT
+ 872 57 989 991 # HT OT
+ 873 57 992 993 # HT OT
+ 874 57 992 994 # HT OT
+ 875 57 995 996 # HT OT
+ 876 57 995 997 # HT OT
+ 877 57 998 999 # HT OT
+ 878 57 998 1000 # HT OT
+ 879 57 1001 1002 # HT OT
+ 880 57 1001 1003 # HT OT
+ 881 57 1004 1005 # HT OT
+ 882 57 1004 1006 # HT OT
+ 883 57 1007 1008 # HT OT
+ 884 57 1007 1009 # HT OT
+ 885 57 1011 1012 # HT OT
+ 886 57 1011 1013 # HT OT
+ 887 57 1014 1015 # HT OT
+ 888 57 1014 1016 # HT OT
+ 889 57 1017 1018 # HT OT
+ 890 57 1017 1019 # HT OT
+ 891 57 1020 1021 # HT OT
+ 892 57 1020 1022 # HT OT
+ 893 57 1023 1024 # HT OT
+ 894 57 1023 1025 # HT OT
+ 895 57 1026 1027 # HT OT
+ 896 57 1026 1028 # HT OT
+ 897 57 1029 1030 # HT OT
+ 898 57 1029 1031 # HT OT
+ 899 57 1032 1033 # HT OT
+ 900 57 1032 1034 # HT OT
+ 901 57 1035 1036 # HT OT
+ 902 57 1035 1037 # HT OT
+ 903 57 1038 1039 # HT OT
+ 904 57 1038 1040 # HT OT
+ 905 57 1041 1042 # HT OT
+ 906 57 1041 1043 # HT OT
+ 907 57 1044 1045 # HT OT
+ 908 57 1044 1046 # HT OT
+ 909 57 1047 1048 # HT OT
+ 910 57 1047 1049 # HT OT
+ 911 57 1050 1051 # HT OT
+ 912 57 1050 1052 # HT OT
+ 913 57 1053 1054 # HT OT
+ 914 57 1053 1055 # HT OT
+ 915 57 1056 1057 # HT OT
+ 916 57 1056 1058 # HT OT
+ 917 57 1059 1060 # HT OT
+ 918 57 1059 1061 # HT OT
+ 919 57 1063 1064 # HT OT
+ 920 57 1063 1065 # HT OT
+ 921 57 1066 1067 # HT OT
+ 922 57 1066 1068 # HT OT
+ 923 57 1069 1070 # HT OT
+ 924 57 1069 1071 # HT OT
+ 925 57 1072 1073 # HT OT
+ 926 57 1072 1074 # HT OT
+ 927 57 1075 1076 # HT OT
+ 928 57 1075 1077 # HT OT
+ 929 57 1078 1079 # HT OT
+ 930 57 1078 1080 # HT OT
+ 931 57 1081 1082 # HT OT
+ 932 57 1081 1083 # HT OT
+ 933 57 1084 1085 # HT OT
+ 934 57 1084 1086 # HT OT
+ 935 57 1087 1088 # HT OT
+ 936 57 1087 1089 # HT OT
+ 937 57 1090 1091 # HT OT
+ 938 57 1090 1092 # HT OT
+ 939 57 1093 1094 # HT OT
+ 940 57 1093 1095 # HT OT
+ 941 57 1096 1097 # HT OT
+ 942 57 1096 1098 # HT OT
+ 943 57 1099 1100 # HT OT
+ 944 57 1099 1101 # HT OT
+ 945 57 1102 1103 # HT OT
+ 946 57 1102 1104 # HT OT
+ 947 57 1105 1106 # HT OT
+ 948 57 1105 1107 # HT OT
+ 949 57 1108 1109 # HT OT
+ 950 57 1108 1110 # HT OT
+ 951 57 1111 1112 # HT OT
+ 952 57 1111 1113 # HT OT
+ 953 57 1114 1115 # HT OT
+ 954 57 1114 1116 # HT OT
+ 955 57 1117 1118 # HT OT
+ 956 57 1117 1119 # HT OT
+ 957 57 1120 1121 # HT OT
+ 958 57 1120 1122 # HT OT
+ 959 57 1123 1124 # HT OT
+ 960 57 1123 1125 # HT OT
+ 961 57 1126 1127 # HT OT
+ 962 57 1126 1128 # HT OT
+ 963 57 1129 1130 # HT OT
+ 964 57 1129 1131 # HT OT
+ 965 57 1132 1133 # HT OT
+ 966 57 1132 1134 # HT OT
+ 967 57 1135 1136 # HT OT
+ 968 57 1135 1137 # HT OT
+ 969 57 1138 1139 # HT OT
+ 970 57 1138 1140 # HT OT
+ 971 57 1141 1142 # HT OT
+ 972 57 1141 1143 # HT OT
+ 973 57 1144 1145 # HT OT
+ 974 57 1144 1146 # HT OT
+ 975 57 1147 1148 # HT OT
+ 976 57 1147 1149 # HT OT
+ 977 57 1150 1151 # HT OT
+ 978 57 1150 1152 # HT OT
+ 979 57 1153 1154 # HT OT
+ 980 57 1153 1155 # HT OT
+ 981 57 1156 1157 # HT OT
+ 982 57 1156 1158 # HT OT
+ 983 57 1159 1160 # HT OT
+ 984 57 1159 1161 # HT OT
+ 985 57 1162 1163 # HT OT
+ 986 57 1162 1164 # HT OT
+ 987 57 1165 1166 # HT OT
+ 988 57 1165 1167 # HT OT
+ 989 57 1168 1169 # HT OT
+ 990 57 1168 1170 # HT OT
+ 991 57 1171 1172 # HT OT
+ 992 57 1171 1173 # HT OT
+ 993 57 1174 1175 # HT OT
+ 994 57 1174 1176 # HT OT
+ 995 57 1177 1178 # HT OT
+ 996 57 1177 1179 # HT OT
+ 997 57 1180 1181 # HT OT
+ 998 57 1180 1182 # HT OT
+ 999 57 1183 1184 # HT OT
+ 1000 57 1183 1185 # HT OT
+ 1001 57 1186 1187 # HT OT
+ 1002 57 1186 1188 # HT OT
+ 1003 57 1189 1190 # HT OT
+ 1004 57 1189 1191 # HT OT
+ 1005 57 1192 1193 # HT OT
+ 1006 57 1192 1194 # HT OT
+ 1007 57 1195 1196 # HT OT
+ 1008 57 1195 1197 # HT OT
+ 1009 57 1198 1199 # HT OT
+ 1010 57 1198 1200 # HT OT
+ 1011 57 1201 1202 # HT OT
+ 1012 57 1201 1203 # HT OT
+ 1013 57 1204 1205 # HT OT
+ 1014 57 1204 1206 # HT OT
+ 1015 57 1207 1208 # HT OT
+ 1016 57 1207 1209 # HT OT
+ 1017 57 1210 1211 # HT OT
+ 1018 57 1210 1212 # HT OT
+ 1019 57 1213 1214 # HT OT
+ 1020 57 1213 1215 # HT OT
+ 1021 57 1216 1217 # HT OT
+ 1022 57 1216 1218 # HT OT
+ 1023 57 1219 1220 # HT OT
+ 1024 57 1219 1221 # HT OT
+ 1025 57 1222 1223 # HT OT
+ 1026 57 1222 1224 # HT OT
+ 1027 57 1225 1226 # HT OT
+ 1028 57 1225 1227 # HT OT
+ 1029 57 1228 1229 # HT OT
+ 1030 57 1228 1230 # HT OT
+ 1031 57 1231 1232 # HT OT
+ 1032 57 1231 1233 # HT OT
+ 1033 57 1234 1235 # HT OT
+ 1034 57 1234 1236 # HT OT
+ 1035 57 1237 1238 # HT OT
+ 1036 57 1237 1239 # HT OT
+ 1037 57 1240 1241 # HT OT
+ 1038 57 1240 1242 # HT OT
+ 1039 57 1243 1244 # HT OT
+ 1040 57 1243 1245 # HT OT
+ 1041 57 1246 1247 # HT OT
+ 1042 57 1246 1248 # HT OT
+ 1043 57 1249 1250 # HT OT
+ 1044 57 1249 1251 # HT OT
+ 1045 57 1252 1253 # HT OT
+ 1046 57 1252 1254 # HT OT
+ 1047 57 1255 1256 # HT OT
+ 1048 57 1255 1257 # HT OT
+ 1049 57 1258 1259 # HT OT
+ 1050 57 1258 1260 # HT OT
+ 1051 57 1261 1262 # HT OT
+ 1052 57 1261 1263 # HT OT
+ 1053 57 1265 1266 # HT OT
+ 1054 57 1265 1267 # HT OT
+ 1055 57 1268 1269 # HT OT
+ 1056 57 1268 1270 # HT OT
+ 1057 57 1271 1272 # HT OT
+ 1058 57 1271 1273 # HT OT
+ 1059 57 1274 1275 # HT OT
+ 1060 57 1274 1276 # HT OT
+ 1061 57 1277 1278 # HT OT
+ 1062 57 1277 1279 # HT OT
+ 1063 57 1280 1281 # HT OT
+ 1064 57 1280 1282 # HT OT
+ 1065 57 1283 1284 # HT OT
+ 1066 57 1283 1285 # HT OT
+ 1067 57 1286 1287 # HT OT
+ 1068 57 1286 1288 # HT OT
+ 1069 57 1289 1290 # HT OT
+ 1070 57 1289 1291 # HT OT
+ 1071 57 1292 1293 # HT OT
+ 1072 57 1292 1294 # HT OT
+ 1073 57 1295 1296 # HT OT
+ 1074 57 1295 1297 # HT OT
+ 1075 57 1298 1299 # HT OT
+ 1076 57 1298 1300 # HT OT
+ 1077 57 1301 1302 # HT OT
+ 1078 57 1301 1303 # HT OT
+ 1079 57 1304 1305 # HT OT
+ 1080 57 1304 1306 # HT OT
+ 1081 57 1307 1308 # HT OT
+ 1082 57 1307 1309 # HT OT
+ 1083 57 1310 1311 # HT OT
+ 1084 57 1310 1312 # HT OT
+ 1085 57 1313 1314 # HT OT
+ 1086 57 1313 1315 # HT OT
+ 1087 57 1316 1317 # HT OT
+ 1088 57 1316 1318 # HT OT
+ 1089 57 1319 1320 # HT OT
+ 1090 57 1319 1321 # HT OT
+ 1091 57 1322 1323 # HT OT
+ 1092 57 1322 1324 # HT OT
+ 1093 57 1325 1326 # HT OT
+ 1094 57 1325 1327 # HT OT
+ 1095 57 1328 1329 # HT OT
+ 1096 57 1328 1330 # HT OT
+ 1097 57 1331 1332 # HT OT
+ 1098 57 1331 1333 # HT OT
+ 1099 57 1334 1335 # HT OT
+ 1100 57 1334 1336 # HT OT
+ 1101 57 1337 1338 # HT OT
+ 1102 57 1337 1339 # HT OT
+ 1103 57 1340 1341 # HT OT
+ 1104 57 1340 1342 # HT OT
+ 1105 57 1343 1344 # HT OT
+ 1106 57 1343 1345 # HT OT
+ 1107 57 1346 1347 # HT OT
+ 1108 57 1346 1348 # HT OT
+ 1109 57 1349 1350 # HT OT
+ 1110 57 1349 1351 # HT OT
+ 1111 57 1352 1353 # HT OT
+ 1112 57 1352 1354 # HT OT
+ 1113 57 1355 1356 # HT OT
+ 1114 57 1355 1357 # HT OT
+ 1115 57 1358 1359 # HT OT
+ 1116 57 1358 1360 # HT OT
+ 1117 57 1361 1362 # HT OT
+ 1118 57 1361 1363 # HT OT
+ 1119 57 1364 1365 # HT OT
+ 1120 57 1364 1366 # HT OT
+ 1121 57 1367 1368 # HT OT
+ 1122 57 1367 1369 # HT OT
+ 1123 57 1370 1371 # HT OT
+ 1124 57 1370 1372 # HT OT
+ 1125 57 1373 1374 # HT OT
+ 1126 57 1373 1375 # HT OT
+ 1127 57 1376 1377 # HT OT
+ 1128 57 1376 1378 # HT OT
+ 1129 57 1379 1380 # HT OT
+ 1130 57 1379 1381 # HT OT
+ 1131 57 1382 1383 # HT OT
+ 1132 57 1382 1384 # HT OT
+ 1133 57 1385 1386 # HT OT
+ 1134 57 1385 1387 # HT OT
+ 1135 57 1388 1389 # HT OT
+ 1136 57 1388 1390 # HT OT
+ 1137 57 1391 1392 # HT OT
+ 1138 57 1391 1393 # HT OT
+ 1139 57 1394 1395 # HT OT
+ 1140 57 1394 1396 # HT OT
+ 1141 57 1397 1398 # HT OT
+ 1142 57 1397 1399 # HT OT
+ 1143 57 1400 1401 # HT OT
+ 1144 57 1400 1402 # HT OT
+ 1145 57 1403 1404 # HT OT
+ 1146 57 1403 1405 # HT OT
+ 1147 57 1406 1407 # HT OT
+ 1148 57 1406 1408 # HT OT
+ 1149 57 1409 1410 # HT OT
+ 1150 57 1409 1411 # HT OT
+ 1151 57 1412 1413 # HT OT
+ 1152 57 1412 1414 # HT OT
+ 1153 57 1415 1416 # HT OT
+ 1154 57 1415 1417 # HT OT
+ 1155 57 1418 1419 # HT OT
+ 1156 57 1418 1420 # HT OT
+ 1157 57 1421 1422 # HT OT
+ 1158 57 1421 1423 # HT OT
+ 1159 57 1424 1425 # HT OT
+ 1160 57 1424 1426 # HT OT
+ 1161 57 1427 1428 # HT OT
+ 1162 57 1427 1429 # HT OT
+ 1163 57 1430 1431 # HT OT
+ 1164 57 1430 1432 # HT OT
+ 1165 57 1433 1434 # HT OT
+ 1166 57 1433 1435 # HT OT
+ 1167 57 1436 1437 # HT OT
+ 1168 57 1436 1438 # HT OT
+ 1169 57 1439 1440 # HT OT
+ 1170 57 1439 1441 # HT OT
+ 1171 57 1442 1443 # HT OT
+ 1172 57 1442 1444 # HT OT
+ 1173 57 1445 1446 # HT OT
+ 1174 57 1445 1447 # HT OT
+ 1175 57 1448 1449 # HT OT
+ 1176 57 1448 1450 # HT OT
+ 1177 57 1451 1452 # HT OT
+ 1178 57 1451 1453 # HT OT
+ 1179 57 1454 1455 # HT OT
+ 1180 57 1454 1456 # HT OT
+ 1181 57 1457 1458 # HT OT
+ 1182 57 1457 1459 # HT OT
+ 1183 57 1460 1461 # HT OT
+ 1184 57 1460 1462 # HT OT
+ 1185 57 1463 1464 # HT OT
+ 1186 57 1463 1465 # HT OT
+ 1187 57 1466 1467 # HT OT
+ 1188 57 1466 1468 # HT OT
+ 1189 57 1470 1471 # HT OT
+ 1190 57 1470 1472 # HT OT
+ 1191 57 1473 1474 # HT OT
+ 1192 57 1473 1475 # HT OT
+ 1193 57 1476 1477 # HT OT
+ 1194 57 1476 1478 # HT OT
+ 1195 57 1479 1480 # HT OT
+ 1196 57 1479 1481 # HT OT
+ 1197 57 1482 1483 # HT OT
+ 1198 57 1482 1484 # HT OT
+ 1199 57 1485 1486 # HT OT
+ 1200 57 1485 1487 # HT OT
+ 1201 57 1488 1489 # HT OT
+ 1202 57 1488 1490 # HT OT
+ 1203 57 1491 1492 # HT OT
+ 1204 57 1491 1493 # HT OT
+ 1205 57 1494 1495 # HT OT
+ 1206 57 1494 1496 # HT OT
+ 1207 57 1497 1498 # HT OT
+ 1208 57 1497 1499 # HT OT
+ 1209 57 1500 1501 # HT OT
+ 1210 57 1500 1502 # HT OT
+ 1211 57 1503 1504 # HT OT
+ 1212 57 1503 1505 # HT OT
+ 1213 57 1506 1507 # HT OT
+ 1214 57 1506 1508 # HT OT
+ 1215 57 1509 1510 # HT OT
+ 1216 57 1509 1511 # HT OT
+ 1217 57 1512 1513 # HT OT
+ 1218 57 1512 1514 # HT OT
+ 1219 57 1515 1516 # HT OT
+ 1220 57 1515 1517 # HT OT
+ 1221 57 1518 1519 # HT OT
+ 1222 57 1518 1520 # HT OT
+ 1223 57 1521 1522 # HT OT
+ 1224 57 1521 1523 # HT OT
+ 1225 57 1524 1525 # HT OT
+ 1226 57 1524 1526 # HT OT
+ 1227 57 1527 1528 # HT OT
+ 1228 57 1527 1529 # HT OT
+ 1229 57 1530 1531 # HT OT
+ 1230 57 1530 1532 # HT OT
+ 1231 57 1533 1534 # HT OT
+ 1232 57 1533 1535 # HT OT
+ 1233 57 1536 1537 # HT OT
+ 1234 57 1536 1538 # HT OT
+ 1235 57 1539 1540 # HT OT
+ 1236 57 1539 1541 # HT OT
+ 1237 57 1542 1543 # HT OT
+ 1238 57 1542 1544 # HT OT
+ 1239 57 1545 1546 # HT OT
+ 1240 57 1545 1547 # HT OT
+ 1241 57 1548 1549 # HT OT
+ 1242 57 1548 1550 # HT OT
+ 1243 57 1551 1552 # HT OT
+ 1244 57 1551 1553 # HT OT
+ 1245 57 1554 1555 # HT OT
+ 1246 57 1554 1556 # HT OT
+ 1247 57 1557 1558 # HT OT
+ 1248 57 1557 1559 # HT OT
+ 1249 57 1560 1561 # HT OT
+ 1250 57 1560 1562 # HT OT
+ 1251 57 1563 1564 # HT OT
+ 1252 57 1563 1565 # HT OT
+ 1253 57 1566 1567 # HT OT
+ 1254 57 1566 1568 # HT OT
+ 1255 57 1569 1570 # HT OT
+ 1256 57 1569 1571 # HT OT
+ 1257 57 1572 1573 # HT OT
+ 1258 57 1572 1574 # HT OT
+ 1259 57 1575 1576 # HT OT
+ 1260 57 1575 1577 # HT OT
+ 1261 57 1578 1579 # HT OT
+ 1262 57 1578 1580 # HT OT
+ 1263 57 1581 1582 # HT OT
+ 1264 57 1581 1583 # HT OT
+ 1265 57 1584 1585 # HT OT
+ 1266 57 1584 1586 # HT OT
+ 1267 57 1587 1588 # HT OT
+ 1268 57 1587 1589 # HT OT
+ 1269 57 1590 1591 # HT OT
+ 1270 57 1590 1592 # HT OT
+ 1271 57 1593 1594 # HT OT
+ 1272 57 1593 1595 # HT OT
+ 1273 57 1596 1597 # HT OT
+ 1274 57 1596 1598 # HT OT
+ 1275 57 1599 1600 # HT OT
+ 1276 57 1599 1601 # HT OT
+ 1277 57 1602 1603 # HT OT
+ 1278 57 1602 1604 # HT OT
+ 1279 57 1605 1606 # HT OT
+ 1280 57 1605 1607 # HT OT
+ 1281 57 1608 1609 # HT OT
+ 1282 57 1608 1610 # HT OT
+ 1283 57 1611 1612 # HT OT
+ 1284 57 1611 1613 # HT OT
+ 1285 57 1614 1615 # HT OT
+ 1286 57 1614 1616 # HT OT
+ 1287 57 1617 1618 # HT OT
+ 1288 57 1617 1619 # HT OT
+ 1289 57 1620 1621 # HT OT
+ 1290 57 1620 1622 # HT OT
+ 1291 57 1623 1624 # HT OT
+ 1292 57 1623 1625 # HT OT
+ 1293 57 1626 1627 # HT OT
+ 1294 57 1626 1628 # HT OT
+ 1295 57 1629 1630 # HT OT
+ 1296 57 1629 1631 # HT OT
+ 1297 57 1632 1633 # HT OT
+ 1298 57 1632 1634 # HT OT
+ 1299 57 1635 1636 # HT OT
+ 1300 57 1635 1637 # HT OT
+ 1301 57 1638 1639 # HT OT
+ 1302 57 1638 1640 # HT OT
+ 1303 57 1641 1642 # HT OT
+ 1304 57 1641 1643 # HT OT
+ 1305 57 1644 1645 # HT OT
+ 1306 57 1644 1646 # HT OT
+ 1307 57 1647 1648 # HT OT
+ 1308 57 1647 1649 # HT OT
+ 1309 57 1650 1651 # HT OT
+ 1310 57 1650 1652 # HT OT
+ 1311 57 1653 1654 # HT OT
+ 1312 57 1653 1655 # HT OT
+ 1313 57 1656 1657 # HT OT
+ 1314 57 1656 1658 # HT OT
+ 1315 57 1659 1660 # HT OT
+ 1316 57 1659 1661 # HT OT
+ 1317 57 1662 1663 # HT OT
+ 1318 57 1662 1664 # HT OT
+ 1319 57 1665 1666 # HT OT
+ 1320 57 1665 1667 # HT OT
+ 1321 57 1668 1669 # HT OT
+ 1322 57 1668 1670 # HT OT
+ 1323 57 1671 1672 # HT OT
+ 1324 57 1671 1673 # HT OT
+ 1325 57 1674 1675 # HT OT
+ 1326 57 1674 1676 # HT OT
+ 1327 57 1677 1678 # HT OT
+ 1328 57 1677 1679 # HT OT
+ 1329 57 1680 1681 # HT OT
+ 1330 57 1680 1682 # HT OT
+ 1331 57 1683 1684 # HT OT
+ 1332 57 1683 1685 # HT OT
+ 1333 57 1686 1687 # HT OT
+ 1334 57 1686 1688 # HT OT
+ 1335 57 1689 1690 # HT OT
+ 1336 57 1689 1691 # HT OT
+ 1337 57 1692 1693 # HT OT
+ 1338 57 1692 1694 # HT OT
+ 1339 57 1695 1696 # HT OT
+ 1340 57 1695 1697 # HT OT
+ 1341 57 1698 1699 # HT OT
+ 1342 57 1698 1700 # HT OT
+ 1343 57 1701 1702 # HT OT
+ 1344 57 1701 1703 # HT OT
+ 1345 57 1704 1705 # HT OT
+ 1346 57 1704 1706 # HT OT
+ 1347 57 1707 1708 # HT OT
+ 1348 57 1707 1709 # HT OT
+ 1349 57 1710 1711 # HT OT
+ 1350 57 1710 1712 # HT OT
+ 1351 57 1713 1714 # HT OT
+ 1352 57 1713 1715 # HT OT
+ 1353 57 1716 1717 # HT OT
+ 1354 57 1716 1718 # HT OT
+ 1355 57 1719 1720 # HT OT
+ 1356 57 1719 1721 # HT OT
+ 1357 57 1723 1724 # HT OT
+ 1358 57 1723 1725 # HT OT
+ 1359 57 1726 1727 # HT OT
+ 1360 57 1726 1728 # HT OT
+ 1361 57 1729 1730 # HT OT
+ 1362 57 1729 1731 # HT OT
+ 1363 57 1732 1733 # HT OT
+ 1364 57 1732 1734 # HT OT
+ 1365 57 1735 1736 # HT OT
+ 1366 57 1735 1737 # HT OT
+ 1367 57 1738 1739 # HT OT
+ 1368 57 1738 1740 # HT OT
+ 1369 57 1741 1742 # HT OT
+ 1370 57 1741 1743 # HT OT
+ 1371 57 1744 1745 # HT OT
+ 1372 57 1744 1746 # HT OT
+ 1373 57 1747 1748 # HT OT
+ 1374 57 1747 1749 # HT OT
+ 1375 57 1750 1751 # HT OT
+ 1376 57 1750 1752 # HT OT
+ 1377 57 1753 1754 # HT OT
+ 1378 57 1753 1755 # HT OT
+ 1379 57 1756 1757 # HT OT
+ 1380 57 1756 1758 # HT OT
+ 1381 57 1759 1760 # HT OT
+ 1382 57 1759 1761 # HT OT
+ 1383 57 1762 1763 # HT OT
+ 1384 57 1762 1764 # HT OT
+ 1385 57 1765 1766 # HT OT
+ 1386 57 1765 1767 # HT OT
+ 1387 57 1768 1769 # HT OT
+ 1388 57 1768 1770 # HT OT
+ 1389 57 1771 1772 # HT OT
+ 1390 57 1771 1773 # HT OT
+ 1391 57 1774 1775 # HT OT
+ 1392 57 1774 1776 # HT OT
+ 1393 57 1777 1778 # HT OT
+ 1394 57 1777 1779 # HT OT
+ 1395 57 1780 1781 # HT OT
+ 1396 57 1780 1782 # HT OT
+ 1397 57 1784 1785 # HT OT
+ 1398 57 1784 1786 # HT OT
+ 1399 57 1787 1788 # HT OT
+ 1400 57 1787 1789 # HT OT
+ 1401 57 1790 1791 # HT OT
+ 1402 57 1790 1792 # HT OT
+ 1403 57 1793 1794 # HT OT
+ 1404 57 1793 1795 # HT OT
+ 1405 57 1796 1797 # HT OT
+ 1406 57 1796 1798 # HT OT
+ 1407 57 1799 1800 # HT OT
+ 1408 57 1799 1801 # HT OT
+ 1409 57 1802 1803 # HT OT
+ 1410 57 1802 1804 # HT OT
+ 1411 57 1805 1806 # HT OT
+ 1412 57 1805 1807 # HT OT
+ 1413 57 1808 1809 # HT OT
+ 1414 57 1808 1810 # HT OT
+ 1415 57 1812 1813 # HT OT
+ 1416 57 1812 1814 # HT OT
+ 1417 57 1815 1816 # HT OT
+ 1418 57 1815 1817 # HT OT
+ 1419 57 1818 1819 # HT OT
+ 1420 57 1818 1820 # HT OT
+ 1421 57 1821 1822 # HT OT
+ 1422 57 1821 1823 # HT OT
+ 1423 57 1824 1825 # HT OT
+ 1424 57 1824 1826 # HT OT
+ 1425 57 1827 1828 # HT OT
+ 1426 57 1827 1829 # HT OT
+ 1427 57 1830 1831 # HT OT
+ 1428 57 1830 1832 # HT OT
+ 1429 57 1833 1834 # HT OT
+ 1430 57 1833 1835 # HT OT
+ 1431 57 1836 1837 # HT OT
+ 1432 57 1836 1838 # HT OT
+ 1433 57 1839 1840 # HT OT
+ 1434 57 1839 1841 # HT OT
+ 1435 57 1842 1843 # HT OT
+ 1436 57 1842 1844 # HT OT
+ 1437 57 1846 1847 # HT OT
+ 1438 57 1846 1848 # HT OT
+ 1439 57 1849 1850 # HT OT
+ 1440 57 1849 1851 # HT OT
+ 1441 57 1852 1853 # HT OT
+ 1442 57 1852 1854 # HT OT
+ 1443 57 1855 1856 # HT OT
+ 1444 57 1855 1857 # HT OT
+ 1445 57 1858 1859 # HT OT
+ 1446 57 1858 1860 # HT OT
+ 1447 57 1861 1862 # HT OT
+ 1448 57 1861 1863 # HT OT
+ 1449 57 1864 1865 # HT OT
+ 1450 57 1864 1866 # HT OT
+ 1451 57 1867 1868 # HT OT
+ 1452 57 1867 1869 # HT OT
+ 1453 57 1870 1871 # HT OT
+ 1454 57 1870 1872 # HT OT
+ 1455 57 1873 1874 # HT OT
+ 1456 57 1873 1875 # HT OT
+ 1457 57 1876 1877 # HT OT
+ 1458 57 1876 1878 # HT OT
+ 1459 57 1879 1880 # HT OT
+ 1460 57 1879 1881 # HT OT
+ 1461 57 1882 1883 # HT OT
+ 1462 57 1882 1884 # HT OT
+ 1463 57 1885 1886 # HT OT
+ 1464 57 1885 1887 # HT OT
+ 1465 57 1888 1889 # HT OT
+ 1466 57 1888 1890 # HT OT
+ 1467 57 1891 1892 # HT OT
+ 1468 57 1891 1893 # HT OT
+ 1469 57 1894 1895 # HT OT
+ 1470 57 1894 1896 # HT OT
+ 1471 57 1897 1898 # HT OT
+ 1472 57 1897 1899 # HT OT
+ 1473 57 1900 1901 # HT OT
+ 1474 57 1900 1902 # HT OT
+ 1475 57 1903 1904 # HT OT
+ 1476 57 1903 1905 # HT OT
+ 1477 57 1906 1907 # HT OT
+ 1478 57 1906 1908 # HT OT
+ 1479 57 1909 1910 # HT OT
+ 1480 57 1909 1911 # HT OT
+ 1481 57 1912 1913 # HT OT
+ 1482 57 1912 1914 # HT OT
+ 1483 57 1916 1917 # HT OT
+ 1484 57 1916 1918 # HT OT
+ 1485 57 1919 1920 # HT OT
+ 1486 57 1919 1921 # HT OT
+ 1487 57 1922 1923 # HT OT
+ 1488 57 1922 1924 # HT OT
+ 1489 57 1925 1926 # HT OT
+ 1490 57 1925 1927 # HT OT
+ 1491 57 1928 1929 # HT OT
+ 1492 57 1928 1930 # HT OT
+ 1493 57 1931 1932 # HT OT
+ 1494 57 1931 1933 # HT OT
+ 1495 57 1935 1936 # HT OT
+ 1496 57 1935 1937 # HT OT
+ 1497 57 1938 1939 # HT OT
+ 1498 57 1938 1940 # HT OT
+ 1499 57 1941 1942 # HT OT
+ 1500 57 1941 1943 # HT OT
+ 1501 57 1944 1945 # HT OT
+ 1502 57 1944 1946 # HT OT
+ 1503 57 1947 1948 # HT OT
+ 1504 57 1947 1949 # HT OT
+ 1505 57 1950 1951 # HT OT
+ 1506 57 1950 1952 # HT OT
+ 1507 57 1953 1954 # HT OT
+ 1508 57 1953 1955 # HT OT
+ 1509 57 1956 1957 # HT OT
+ 1510 57 1956 1958 # HT OT
+ 1511 57 1959 1960 # HT OT
+ 1512 57 1959 1961 # HT OT
+ 1513 57 1962 1963 # HT OT
+ 1514 57 1962 1964 # HT OT
+ 1515 57 1966 1967 # HT OT
+ 1516 57 1966 1968 # HT OT
+
+Angle Coeffs
+
+ 1 120 116.7 0 0 # CN1 CN3T CN3
+ 2 38 118.7 0 0 # CN1 CN3T CN9
+ 3 70 119.6 0 0 # CN1 CN5G CN5
+ 4 125 129 0 0 # CN1 CN5G NN4
+ 5 50 124.1 0 0 # CN1 NN2 CN3
+ 6 45 120 0 0 # CN1 NN2 CN7B
+ 7 70 131.1 0 0 # CN1 NN2G CN2
+ 8 45 113.3 0 0 # CN1 NN2G HN2
+ 9 50 130.2 0 0 # CN1 NN2U CN1T
+ 10 40.5 115.4 0 0 # CN1 NN2U HN2
+ 11 85 119.1 0 0 # CN1 NN3 CN2
+ 12 70 122 0 0 # CN1T NN2B CN3
+ 13 45 118.4 0 0 # CN1T NN2B CN7B
+ 14 40.5 114.4 0 0 # CN1T NN2U HN2
+ 15 85 117.8 0 0 # CN2 CN3 CN3
+ 16 38 120.1 0 0 # CN2 CN3 HN3
+ 17 60 121 0 0 # CN2 CN5 CN5
+ 18 100 129 0 0 # CN2 CN5 NN4
+ 19 40 121.5 0 0 # CN2 NN1 HN1
+ 20 45 115.6 0 0 # CN2 NN2G HN2
+ 21 90 117.8 0 0 # CN2 NN3A CN4
+ 22 90 109.4 0 0 # CN2 NN3G CN5
+ 23 81 118.4 0 0 # CN3 CN2 NN1
+ 24 85 119.3 0 0 # CN3 CN2 NN3
+ 25 38 122.1 0 0 # CN3 CN3 HN3
+ 26 85 122.9 0 0 # CN3 CN3 NN2
+ 27 38 124.6 0 0 # CN3 CN3T CN9
+ 28 45 115.9 0 0 # CN3 NN2 CN7B
+ 29 45 119.6 0 0 # CN3 NN2B CN7B
+ 30 70 113.5 0 0 # CN3T CN1 NN2U
+ 31 100 124.6 0 0 # CN3T CN1 ON1
+ 32 30 122.1 0 0 # CN3T CN3 HN3
+ 33 120 123.6 0 0 # CN3T CN3 NN2B
+ 34 33.43 110.1 22.53 2.179 # CN3T CN9 HN9
+ 35 100 106.3 0 0 # CN4 NN2 CN5
+ 36 45 127.6 0 0 # CN4 NN2 CN7B
+ 37 100 107.2 0 0 # CN4 NN2B CN5
+ 38 45 126.3 0 0 # CN4 NN2B CN7B
+ 39 90 110.1 0 0 # CN4 NN3A CN5
+ 40 120 104.6 0 0 # CN4 NN4 CN5
+ 41 120 103.8 0 0 # CN4 NN4 CN5G
+ 42 50 118.6 0 0 # CN5 CN2 NN1
+ 43 60 110.7 0 0 # CN5 CN2 NN3A
+ 44 100 105.7 0 0 # CN5 CN5 NN2
+ 45 60 127.4 0 0 # CN5 CN5 NN3A
+ 46 100 110 0 0 # CN5 CN5 NN4
+ 47 100 111.4 0 0 # CN5 CN5G NN4
+ 48 45 126.1 0 0 # CN5 NN2 CN7B
+ 49 45 126.5 0 0 # CN5 NN2B CN7B
+ 50 70 107.8 0 0 # CN5G CN1 NN2G
+ 51 50 124.7 0 0 # CN5G CN1 ON1
+ 52 100 104.6 0 0 # CN5G CN5 NN2B
+ 53 70 129.9 0 0 # CN5G CN5 NN3G
+ 54 60 100 8 2.561 # CN7 CN7 CN7B
+ 55 45 110 0 0 # CN7 CN7 CN8B
+ 56 40 108 0 0 # CN7 CN7 HN7
+ 57 115 109.7 0 0 # CN7 CN7 ON2
+ 58 100 110 0 0 # CN7 CN7 ON6B
+ 59 110 96 0 0 # CN7 CN7B CN7B
+ 60 34.53 110.1 22.53 2.179 # CN7 CN7B HN7
+ 61 90 108 0 0 # CN7 CN7B ON5
+ 62 34.53 110.1 22.53 2.179 # CN7 CN8B HN8
+ 63 70 108.4 0 0 # CN7 CN8B ON2
+ 64 20 120 35 2.33 # CN7 ON2 P
+ 65 110 115 0 0 # CN7 ON6B CN7B
+ 66 34.53 110.1 22.53 2.179 # CN7B CN7 HN7
+ 67 90 110 0 0 # CN7B CN7 ON2
+ 68 33.4 110.1 22.53 2.179 # CN7B CN7B HN7
+ 69 110 111 0 0 # CN7B CN7B NN2
+ 70 110 111 0 0 # CN7B CN7B NN2B
+ 71 80 108.4 0 0 # CN7B CN7B ON5
+ 72 90 106 0 0 # CN7B CN7B ON6B
+ 73 57.5 109 0 0 # CN7B ON5 HN5
+ 74 34.5 110.1 22.53 2.179 # CN8B CN7 HN7
+ 75 90 108.2 0 0 # CN8B CN7 ON6B
+ 76 20 120 35 2.33 # CN8B ON2 P
+ 77 31 117 0 0 # HN1 NN1 HN1
+ 78 44 115 0 0 # HN3 CN3 NN2
+ 79 30 114.3 0 0 # HN3 CN3 NN2B
+ 80 39 121.8 0 0 # HN3 CN4 NN2
+ 81 40 122.2 0 0 # HN3 CN4 NN2B
+ 82 38 113.5 0 0 # HN3 CN4 NN3A
+ 83 39 124.8 0 0 # HN3 CN4 NN4
+ 84 60 109.5 0 0 # HN7 CN7 ON2
+ 85 45.2 107.24 0 0 # HN7 CN7 ON6B
+ 86 43 111 0 0 # HN7 CN7B NN2
+ 87 43 111 0 0 # HN7 CN7B NN2B
+ 88 60 109.5 0 0 # HN7 CN7B ON5
+ 89 45.2 107.24 0 0 # HN7 CN7B ON6B
+ 90 35.5 109 5.4 1.802 # HN8 CN8B HN8
+ 91 60 109.5 0 0 # HN8 CN8B ON2
+ 92 35.5 108.4 5.4 1.802 # HN9 CN9 HN9
+ 93 55 104.52 0 0 # HT OT HT
+ 94 95 115.4 0 0 # NN1 CN2 NN2G
+ 95 81 122.3 0 0 # NN1 CN2 NN3
+ 96 50 130.7 0 0 # NN1 CN2 NN3A
+ 97 95 122.4 0 0 # NN1 CN2 NN3G
+ 98 50 116.8 0 0 # NN2 CN1 NN3
+ 99 130 119.4 0 0 # NN2 CN1 ON1C
+ 100 100 113.4 0 0 # NN2 CN4 NN4
+ 101 100 126.9 0 0 # NN2 CN5 NN3A
+ 102 110 112 0 0 # NN2 CN7B ON6B
+ 103 50 114 0 0 # NN2B CN1T NN2U
+ 104 100 121.6 0 0 # NN2B CN1T ON1
+ 105 100 113 0 0 # NN2B CN4 NN4
+ 106 140 125.5 0 0 # NN2B CN5 NN3G
+ 107 110 112 0 0 # NN2B CN7B ON6B
+ 108 50 127.5 0 0 # NN2G CN1 ON1
+ 109 70 122.2 0 0 # NN2G CN2 NN3G
+ 110 100 121.9 0 0 # NN2U CN1 ON1
+ 111 100 124.4 0 0 # NN2U CN1T ON1
+ 112 130 123.8 0 0 # NN3 CN1 ON1C
+ 113 60 133 0 0 # NN3A CN4 NN3A
+ 114 80 104.3 0 0 # ON2 P ON2
+ 115 98.9 111.6 0 0 # ON2 P ON3
+ 116 120 120 0 0 # ON3 P ON3
+
+Angles
+
+ 1 76 1 4 5 # CN8B ON2 P
+ 2 115 2 1 4 # ON2 P ON3
+ 3 116 2 1 3 # ON3 P ON3
+ 4 115 3 1 4 # ON2 P ON3
+ 5 91 4 5 7 # HN8 CN8B ON2
+ 6 91 4 5 6 # HN8 CN8B ON2
+ 7 63 4 5 8 # CN7 CN8B ON2
+ 8 74 5 8 9 # CN8B CN7 HN7
+ 9 55 5 8 31 # CN7 CN7 CN8B
+ 10 75 5 8 10 # CN8B CN7 ON6B
+ 11 90 6 5 7 # HN8 CN8B HN8
+ 12 56 8 31 32 # CN7 CN7 HN7
+ 13 57 8 31 33 # CN7 CN7 ON2
+ 14 54 8 31 27 # CN7 CN7 CN7B
+ 15 65 8 10 11 # CN7 ON6B CN7B
+ 16 62 8 5 7 # CN7 CN8B HN8
+ 17 62 8 5 6 # CN7 CN8B HN8
+ 18 89 10 11 12 # HN7 CN7B ON6B
+ 19 72 10 11 27 # CN7B CN7B ON6B
+ 20 102 10 11 13 # NN2 CN7B ON6B
+ 21 85 10 8 9 # HN7 CN7 ON6B
+ 22 58 10 8 31 # CN7 CN7 ON6B
+ 23 68 11 27 28 # CN7B CN7B HN7
+ 24 71 11 27 29 # CN7B CN7B ON5
+ 25 59 11 27 31 # CN7 CN7B CN7B
+ 26 36 11 13 16 # CN4 NN2 CN7B
+ 27 48 11 13 22 # CN5 NN2 CN7B
+ 28 44 13 22 14 # CN5 CN5 NN2
+ 29 101 13 22 21 # NN2 CN5 NN3A
+ 30 100 13 16 15 # NN2 CN4 NN4
+ 31 80 13 16 17 # HN3 CN4 NN2
+ 32 86 13 11 12 # HN7 CN7B NN2
+ 33 69 13 11 27 # CN7B CN7B NN2
+ 34 43 14 23 18 # CN5 CN2 NN3A
+ 35 40 14 15 16 # CN4 NN4 CN5
+ 36 46 15 14 22 # CN5 CN5 NN4
+ 37 83 17 16 15 # HN3 CN4 NN4
+ 38 113 18 19 21 # NN3A CN4 NN3A
+ 39 82 18 19 20 # HN3 CN4 NN3A
+ 40 21 19 18 23 # CN2 NN3A CN4
+ 41 82 20 19 21 # HN3 CN4 NN3A
+ 42 45 21 22 14 # CN5 CN5 NN3A
+ 43 39 22 21 19 # CN4 NN3A CN5
+ 44 35 22 13 16 # CN4 NN2 CN5
+ 45 19 23 24 26 # CN2 NN1 HN1
+ 46 19 23 24 25 # CN2 NN1 HN1
+ 47 17 23 14 22 # CN2 CN5 CN5
+ 48 18 23 14 15 # CN2 CN5 NN4
+ 49 96 24 23 18 # NN1 CN2 NN3A
+ 50 42 24 23 14 # CN5 CN2 NN1
+ 51 77 25 24 26 # HN1 NN1 HN1
+ 52 66 27 31 32 # CN7B CN7 HN7
+ 53 67 27 31 33 # CN7B CN7 ON2
+ 54 73 27 29 30 # CN7B ON5 HN5
+ 55 68 27 11 12 # CN7B CN7B HN7
+ 56 88 29 27 28 # HN7 CN7B ON5
+ 57 64 31 33 34 # CN7 ON2 P
+ 58 60 31 27 28 # CN7 CN7B HN7
+ 59 61 31 27 29 # CN7 CN7B ON5
+ 60 56 31 8 9 # CN7 CN7 HN7
+ 61 84 33 31 32 # HN7 CN7 ON2
+ 62 76 34 37 38 # CN8B ON2 P
+ 63 115 35 34 33 # ON2 P ON3
+ 64 115 35 34 37 # ON2 P ON3
+ 65 116 35 34 36 # ON3 P ON3
+ 66 115 36 34 33 # ON2 P ON3
+ 67 115 36 34 37 # ON2 P ON3
+ 68 91 37 38 40 # HN8 CN8B ON2
+ 69 91 37 38 39 # HN8 CN8B ON2
+ 70 63 37 38 41 # CN7 CN8B ON2
+ 71 114 37 34 33 # ON2 P ON2
+ 72 74 38 41 42 # CN8B CN7 HN7
+ 73 55 38 41 64 # CN7 CN7 CN8B
+ 74 75 38 41 43 # CN8B CN7 ON6B
+ 75 90 39 38 40 # HN8 CN8B HN8
+ 76 56 41 64 65 # CN7 CN7 HN7
+ 77 57 41 64 66 # CN7 CN7 ON2
+ 78 54 41 64 60 # CN7 CN7 CN7B
+ 79 65 41 43 44 # CN7 ON6B CN7B
+ 80 62 41 38 40 # CN7 CN8B HN8
+ 81 62 41 38 39 # CN7 CN8B HN8
+ 82 89 43 44 45 # HN7 CN7B ON6B
+ 83 72 43 44 60 # CN7B CN7B ON6B
+ 84 107 43 44 46 # NN2B CN7B ON6B
+ 85 85 43 41 42 # HN7 CN7 ON6B
+ 86 58 43 41 64 # CN7 CN7 ON6B
+ 87 68 44 60 61 # CN7B CN7B HN7
+ 88 71 44 60 62 # CN7B CN7B ON5
+ 89 59 44 60 64 # CN7 CN7B CN7B
+ 90 29 44 46 47 # CN3 NN2B CN7B
+ 91 13 44 46 49 # CN1T NN2B CN7B
+ 92 104 46 49 50 # NN2B CN1T ON1
+ 93 103 46 49 51 # NN2B CN1T NN2U
+ 94 33 46 47 55 # CN3T CN3 NN2B
+ 95 79 46 47 48 # HN3 CN3 NN2B
+ 96 87 46 44 45 # HN7 CN7B NN2B
+ 97 70 46 44 60 # CN7B CN7B NN2B
+ 98 32 48 47 55 # CN3T CN3 HN3
+ 99 9 49 51 53 # CN1 NN2U CN1T
+ 100 14 49 51 52 # CN1T NN2U HN2
+ 101 12 49 46 47 # CN1T NN2B CN3
+ 102 110 51 53 54 # NN2U CN1 ON1
+ 103 30 51 53 55 # CN3T CN1 NN2U
+ 104 111 51 49 50 # NN2U CN1T ON1
+ 105 10 52 51 53 # CN1 NN2U HN2
+ 106 1 53 55 47 # CN1 CN3T CN3
+ 107 2 53 55 56 # CN1 CN3T CN9
+ 108 34 55 56 59 # CN3T CN9 HN9
+ 109 34 55 56 58 # CN3T CN9 HN9
+ 110 34 55 56 57 # CN3T CN9 HN9
+ 111 31 55 53 54 # CN3T CN1 ON1
+ 112 27 56 55 47 # CN3 CN3T CN9
+ 113 92 57 56 59 # HN9 CN9 HN9
+ 114 92 57 56 58 # HN9 CN9 HN9
+ 115 92 58 56 59 # HN9 CN9 HN9
+ 116 66 60 64 65 # CN7B CN7 HN7
+ 117 67 60 64 66 # CN7B CN7 ON2
+ 118 73 60 62 63 # CN7B ON5 HN5
+ 119 68 60 44 45 # CN7B CN7B HN7
+ 120 88 62 60 61 # HN7 CN7B ON5
+ 121 64 64 66 67 # CN7 ON2 P
+ 122 60 64 60 61 # CN7 CN7B HN7
+ 123 61 64 60 62 # CN7 CN7B ON5
+ 124 56 64 41 42 # CN7 CN7 HN7
+ 125 84 66 64 65 # HN7 CN7 ON2
+ 126 76 67 70 71 # CN8B ON2 P
+ 127 115 68 67 66 # ON2 P ON3
+ 128 115 68 67 70 # ON2 P ON3
+ 129 116 68 67 69 # ON3 P ON3
+ 130 115 69 67 66 # ON2 P ON3
+ 131 115 69 67 70 # ON2 P ON3
+ 132 91 70 71 73 # HN8 CN8B ON2
+ 133 91 70 71 72 # HN8 CN8B ON2
+ 134 63 70 71 74 # CN7 CN8B ON2
+ 135 114 70 67 66 # ON2 P ON2
+ 136 74 71 74 75 # CN8B CN7 HN7
+ 137 55 71 74 95 # CN7 CN7 CN8B
+ 138 75 71 74 76 # CN8B CN7 ON6B
+ 139 90 72 71 73 # HN8 CN8B HN8
+ 140 56 74 95 96 # CN7 CN7 HN7
+ 141 57 74 95 97 # CN7 CN7 ON2
+ 142 54 74 95 91 # CN7 CN7 CN7B
+ 143 65 74 76 77 # CN7 ON6B CN7B
+ 144 62 74 71 73 # CN7 CN8B HN8
+ 145 62 74 71 72 # CN7 CN8B HN8
+ 146 89 76 77 78 # HN7 CN7B ON6B
+ 147 72 76 77 91 # CN7B CN7B ON6B
+ 148 102 76 77 79 # NN2 CN7B ON6B
+ 149 85 76 74 75 # HN7 CN7 ON6B
+ 150 58 76 74 95 # CN7 CN7 ON6B
+ 151 68 77 91 92 # CN7B CN7B HN7
+ 152 71 77 91 93 # CN7B CN7B ON5
+ 153 59 77 91 95 # CN7 CN7B CN7B
+ 154 28 77 79 80 # CN3 NN2 CN7B
+ 155 6 77 79 84 # CN1 NN2 CN7B
+ 156 99 79 84 85 # NN2 CN1 ON1C
+ 157 98 79 84 86 # NN2 CN1 NN3
+ 158 26 79 80 82 # CN3 CN3 NN2
+ 159 78 79 80 81 # HN3 CN3 NN2
+ 160 86 79 77 78 # HN7 CN7B NN2
+ 161 69 79 77 91 # CN7B CN7B NN2
+ 162 25 81 80 82 # CN3 CN3 HN3
+ 163 24 82 87 86 # CN3 CN2 NN3
+ 164 25 83 82 80 # CN3 CN3 HN3
+ 165 11 84 86 87 # CN1 NN3 CN2
+ 166 5 84 79 80 # CN1 NN2 CN3
+ 167 112 86 84 85 # NN3 CN1 ON1C
+ 168 19 87 88 90 # CN2 NN1 HN1
+ 169 19 87 88 89 # CN2 NN1 HN1
+ 170 15 87 82 80 # CN2 CN3 CN3
+ 171 16 87 82 83 # CN2 CN3 HN3
+ 172 95 88 87 86 # NN1 CN2 NN3
+ 173 23 88 87 82 # CN3 CN2 NN1
+ 174 77 89 88 90 # HN1 NN1 HN1
+ 175 66 91 95 96 # CN7B CN7 HN7
+ 176 67 91 95 97 # CN7B CN7 ON2
+ 177 73 91 93 94 # CN7B ON5 HN5
+ 178 68 91 77 78 # CN7B CN7B HN7
+ 179 88 93 91 92 # HN7 CN7B ON5
+ 180 64 95 97 98 # CN7 ON2 P
+ 181 60 95 91 92 # CN7 CN7B HN7
+ 182 61 95 91 93 # CN7 CN7B ON5
+ 183 56 95 74 75 # CN7 CN7 HN7
+ 184 84 97 95 96 # HN7 CN7 ON2
+ 185 76 98 101 102 # CN8B ON2 P
+ 186 115 99 98 97 # ON2 P ON3
+ 187 115 99 98 101 # ON2 P ON3
+ 188 116 99 98 100 # ON3 P ON3
+ 189 115 100 98 97 # ON2 P ON3
+ 190 115 100 98 101 # ON2 P ON3
+ 191 91 101 102 104 # HN8 CN8B ON2
+ 192 91 101 102 103 # HN8 CN8B ON2
+ 193 63 101 102 105 # CN7 CN8B ON2
+ 194 114 101 98 97 # ON2 P ON2
+ 195 74 102 105 106 # CN8B CN7 HN7
+ 196 55 102 105 126 # CN7 CN7 CN8B
+ 197 75 102 105 107 # CN8B CN7 ON6B
+ 198 90 103 102 104 # HN8 CN8B HN8
+ 199 56 105 126 127 # CN7 CN7 HN7
+ 200 57 105 126 128 # CN7 CN7 ON2
+ 201 54 105 126 122 # CN7 CN7 CN7B
+ 202 65 105 107 108 # CN7 ON6B CN7B
+ 203 62 105 102 104 # CN7 CN8B HN8
+ 204 62 105 102 103 # CN7 CN8B HN8
+ 205 89 107 108 109 # HN7 CN7B ON6B
+ 206 72 107 108 122 # CN7B CN7B ON6B
+ 207 102 107 108 110 # NN2 CN7B ON6B
+ 208 85 107 105 106 # HN7 CN7 ON6B
+ 209 58 107 105 126 # CN7 CN7 ON6B
+ 210 68 108 122 123 # CN7B CN7B HN7
+ 211 71 108 122 124 # CN7B CN7B ON5
+ 212 59 108 122 126 # CN7 CN7B CN7B
+ 213 28 108 110 111 # CN3 NN2 CN7B
+ 214 6 108 110 115 # CN1 NN2 CN7B
+ 215 99 110 115 116 # NN2 CN1 ON1C
+ 216 98 110 115 117 # NN2 CN1 NN3
+ 217 26 110 111 113 # CN3 CN3 NN2
+ 218 78 110 111 112 # HN3 CN3 NN2
+ 219 86 110 108 109 # HN7 CN7B NN2
+ 220 69 110 108 122 # CN7B CN7B NN2
+ 221 25 112 111 113 # CN3 CN3 HN3
+ 222 24 113 118 117 # CN3 CN2 NN3
+ 223 25 114 113 111 # CN3 CN3 HN3
+ 224 11 115 117 118 # CN1 NN3 CN2
+ 225 5 115 110 111 # CN1 NN2 CN3
+ 226 112 117 115 116 # NN3 CN1 ON1C
+ 227 19 118 119 121 # CN2 NN1 HN1
+ 228 19 118 119 120 # CN2 NN1 HN1
+ 229 15 118 113 111 # CN2 CN3 CN3
+ 230 16 118 113 114 # CN2 CN3 HN3
+ 231 95 119 118 117 # NN1 CN2 NN3
+ 232 23 119 118 113 # CN3 CN2 NN1
+ 233 77 120 119 121 # HN1 NN1 HN1
+ 234 66 122 126 127 # CN7B CN7 HN7
+ 235 67 122 126 128 # CN7B CN7 ON2
+ 236 73 122 124 125 # CN7B ON5 HN5
+ 237 68 122 108 109 # CN7B CN7B HN7
+ 238 88 124 122 123 # HN7 CN7B ON5
+ 239 64 126 128 129 # CN7 ON2 P
+ 240 60 126 122 123 # CN7 CN7B HN7
+ 241 61 126 122 124 # CN7 CN7B ON5
+ 242 56 126 105 106 # CN7 CN7 HN7
+ 243 84 128 126 127 # HN7 CN7 ON2
+ 244 76 129 132 133 # CN8B ON2 P
+ 245 115 130 129 128 # ON2 P ON3
+ 246 115 130 129 132 # ON2 P ON3
+ 247 116 130 129 131 # ON3 P ON3
+ 248 115 131 129 128 # ON2 P ON3
+ 249 115 131 129 132 # ON2 P ON3
+ 250 91 132 133 135 # HN8 CN8B ON2
+ 251 91 132 133 134 # HN8 CN8B ON2
+ 252 63 132 133 136 # CN7 CN8B ON2
+ 253 114 132 129 128 # ON2 P ON2
+ 254 74 133 136 137 # CN8B CN7 HN7
+ 255 55 133 136 159 # CN7 CN7 CN8B
+ 256 75 133 136 138 # CN8B CN7 ON6B
+ 257 90 134 133 135 # HN8 CN8B HN8
+ 258 56 136 159 160 # CN7 CN7 HN7
+ 259 57 136 159 161 # CN7 CN7 ON2
+ 260 54 136 159 155 # CN7 CN7 CN7B
+ 261 65 136 138 139 # CN7 ON6B CN7B
+ 262 62 136 133 135 # CN7 CN8B HN8
+ 263 62 136 133 134 # CN7 CN8B HN8
+ 264 89 138 139 140 # HN7 CN7B ON6B
+ 265 72 138 139 155 # CN7B CN7B ON6B
+ 266 107 138 139 141 # NN2B CN7B ON6B
+ 267 85 138 136 137 # HN7 CN7 ON6B
+ 268 58 138 136 159 # CN7 CN7 ON6B
+ 269 68 139 155 156 # CN7B CN7B HN7
+ 270 71 139 155 157 # CN7B CN7B ON5
+ 271 59 139 155 159 # CN7 CN7B CN7B
+ 272 29 139 141 142 # CN3 NN2B CN7B
+ 273 13 139 141 144 # CN1T NN2B CN7B
+ 274 104 141 144 145 # NN2B CN1T ON1
+ 275 103 141 144 146 # NN2B CN1T NN2U
+ 276 33 141 142 150 # CN3T CN3 NN2B
+ 277 79 141 142 143 # HN3 CN3 NN2B
+ 278 87 141 139 140 # HN7 CN7B NN2B
+ 279 70 141 139 155 # CN7B CN7B NN2B
+ 280 32 143 142 150 # CN3T CN3 HN3
+ 281 9 144 146 148 # CN1 NN2U CN1T
+ 282 14 144 146 147 # CN1T NN2U HN2
+ 283 12 144 141 142 # CN1T NN2B CN3
+ 284 110 146 148 149 # NN2U CN1 ON1
+ 285 30 146 148 150 # CN3T CN1 NN2U
+ 286 111 146 144 145 # NN2U CN1T ON1
+ 287 10 147 146 148 # CN1 NN2U HN2
+ 288 1 148 150 142 # CN1 CN3T CN3
+ 289 2 148 150 151 # CN1 CN3T CN9
+ 290 34 150 151 154 # CN3T CN9 HN9
+ 291 34 150 151 153 # CN3T CN9 HN9
+ 292 34 150 151 152 # CN3T CN9 HN9
+ 293 31 150 148 149 # CN3T CN1 ON1
+ 294 27 151 150 142 # CN3 CN3T CN9
+ 295 92 152 151 154 # HN9 CN9 HN9
+ 296 92 152 151 153 # HN9 CN9 HN9
+ 297 92 153 151 154 # HN9 CN9 HN9
+ 298 66 155 159 160 # CN7B CN7 HN7
+ 299 67 155 159 161 # CN7B CN7 ON2
+ 300 73 155 157 158 # CN7B ON5 HN5
+ 301 68 155 139 140 # CN7B CN7B HN7
+ 302 88 157 155 156 # HN7 CN7B ON5
+ 303 64 159 161 162 # CN7 ON2 P
+ 304 60 159 155 156 # CN7 CN7B HN7
+ 305 61 159 155 157 # CN7 CN7B ON5
+ 306 56 159 136 137 # CN7 CN7 HN7
+ 307 84 161 159 160 # HN7 CN7 ON2
+ 308 76 162 165 166 # CN8B ON2 P
+ 309 115 163 162 161 # ON2 P ON3
+ 310 115 163 162 165 # ON2 P ON3
+ 311 116 163 162 164 # ON3 P ON3
+ 312 115 164 162 161 # ON2 P ON3
+ 313 115 164 162 165 # ON2 P ON3
+ 314 91 165 166 168 # HN8 CN8B ON2
+ 315 91 165 166 167 # HN8 CN8B ON2
+ 316 63 165 166 169 # CN7 CN8B ON2
+ 317 114 165 162 161 # ON2 P ON2
+ 318 74 166 169 170 # CN8B CN7 HN7
+ 319 55 166 169 192 # CN7 CN7 CN8B
+ 320 75 166 169 171 # CN8B CN7 ON6B
+ 321 90 167 166 168 # HN8 CN8B HN8
+ 322 56 169 192 193 # CN7 CN7 HN7
+ 323 57 169 192 194 # CN7 CN7 ON2
+ 324 54 169 192 188 # CN7 CN7 CN7B
+ 325 65 169 171 172 # CN7 ON6B CN7B
+ 326 62 169 166 168 # CN7 CN8B HN8
+ 327 62 169 166 167 # CN7 CN8B HN8
+ 328 89 171 172 173 # HN7 CN7B ON6B
+ 329 72 171 172 188 # CN7B CN7B ON6B
+ 330 102 171 172 174 # NN2 CN7B ON6B
+ 331 85 171 169 170 # HN7 CN7 ON6B
+ 332 58 171 169 192 # CN7 CN7 ON6B
+ 333 68 172 188 189 # CN7B CN7B HN7
+ 334 71 172 188 190 # CN7B CN7B ON5
+ 335 59 172 188 192 # CN7 CN7B CN7B
+ 336 36 172 174 177 # CN4 NN2 CN7B
+ 337 48 172 174 183 # CN5 NN2 CN7B
+ 338 44 174 183 175 # CN5 CN5 NN2
+ 339 101 174 183 182 # NN2 CN5 NN3A
+ 340 100 174 177 176 # NN2 CN4 NN4
+ 341 80 174 177 178 # HN3 CN4 NN2
+ 342 86 174 172 173 # HN7 CN7B NN2
+ 343 69 174 172 188 # CN7B CN7B NN2
+ 344 43 175 184 179 # CN5 CN2 NN3A
+ 345 40 175 176 177 # CN4 NN4 CN5
+ 346 46 176 175 183 # CN5 CN5 NN4
+ 347 83 178 177 176 # HN3 CN4 NN4
+ 348 113 179 180 182 # NN3A CN4 NN3A
+ 349 82 179 180 181 # HN3 CN4 NN3A
+ 350 21 180 179 184 # CN2 NN3A CN4
+ 351 82 181 180 182 # HN3 CN4 NN3A
+ 352 45 182 183 175 # CN5 CN5 NN3A
+ 353 39 183 182 180 # CN4 NN3A CN5
+ 354 35 183 174 177 # CN4 NN2 CN5
+ 355 19 184 185 187 # CN2 NN1 HN1
+ 356 19 184 185 186 # CN2 NN1 HN1
+ 357 17 184 175 183 # CN2 CN5 CN5
+ 358 18 184 175 176 # CN2 CN5 NN4
+ 359 96 185 184 179 # NN1 CN2 NN3A
+ 360 42 185 184 175 # CN5 CN2 NN1
+ 361 77 186 185 187 # HN1 NN1 HN1
+ 362 66 188 192 193 # CN7B CN7 HN7
+ 363 67 188 192 194 # CN7B CN7 ON2
+ 364 73 188 190 191 # CN7B ON5 HN5
+ 365 68 188 172 173 # CN7B CN7B HN7
+ 366 88 190 188 189 # HN7 CN7B ON5
+ 367 64 192 194 195 # CN7 ON2 P
+ 368 60 192 188 189 # CN7 CN7B HN7
+ 369 61 192 188 190 # CN7 CN7B ON5
+ 370 56 192 169 170 # CN7 CN7 HN7
+ 371 84 194 192 193 # HN7 CN7 ON2
+ 372 76 195 198 199 # CN8B ON2 P
+ 373 115 196 195 194 # ON2 P ON3
+ 374 115 196 195 198 # ON2 P ON3
+ 375 116 196 195 197 # ON3 P ON3
+ 376 115 197 195 194 # ON2 P ON3
+ 377 115 197 195 198 # ON2 P ON3
+ 378 91 198 199 201 # HN8 CN8B ON2
+ 379 91 198 199 200 # HN8 CN8B ON2
+ 380 63 198 199 202 # CN7 CN8B ON2
+ 381 114 198 195 194 # ON2 P ON2
+ 382 74 199 202 203 # CN8B CN7 HN7
+ 383 55 199 202 226 # CN7 CN7 CN8B
+ 384 75 199 202 204 # CN8B CN7 ON6B
+ 385 90 200 199 201 # HN8 CN8B HN8
+ 386 56 202 226 227 # CN7 CN7 HN7
+ 387 57 202 226 228 # CN7 CN7 ON2
+ 388 54 202 226 222 # CN7 CN7 CN7B
+ 389 65 202 204 205 # CN7 ON6B CN7B
+ 390 62 202 199 201 # CN7 CN8B HN8
+ 391 62 202 199 200 # CN7 CN8B HN8
+ 392 89 204 205 206 # HN7 CN7B ON6B
+ 393 72 204 205 222 # CN7B CN7B ON6B
+ 394 107 204 205 207 # NN2B CN7B ON6B
+ 395 85 204 202 203 # HN7 CN7 ON6B
+ 396 58 204 202 226 # CN7 CN7 ON6B
+ 397 68 205 222 223 # CN7B CN7B HN7
+ 398 71 205 222 224 # CN7B CN7B ON5
+ 399 59 205 222 226 # CN7 CN7B CN7B
+ 400 38 205 207 220 # CN4 NN2B CN7B
+ 401 49 205 207 208 # CN5 NN2B CN7B
+ 402 105 207 220 219 # NN2B CN4 NN4
+ 403 81 207 220 221 # HN3 CN4 NN2B
+ 404 52 207 208 218 # CN5G CN5 NN2B
+ 405 106 207 208 212 # NN2B CN5 NN3G
+ 406 87 207 205 206 # HN7 CN7B NN2B
+ 407 70 207 205 222 # CN7B CN7B NN2B
+ 408 22 208 212 213 # CN2 NN3G CN5
+ 409 37 208 207 220 # CN4 NN2B CN5
+ 410 97 209 213 212 # NN1 CN2 NN3G
+ 411 94 209 213 214 # NN1 CN2 NN2G
+ 412 77 210 209 211 # HN1 NN1 HN1
+ 413 53 212 208 218 # CN5G CN5 NN3G
+ 414 7 213 214 216 # CN1 NN2G CN2
+ 415 20 213 214 215 # CN2 NN2G HN2
+ 416 19 213 209 211 # CN2 NN1 HN1
+ 417 19 213 209 210 # CN2 NN1 HN1
+ 418 108 214 216 217 # NN2G CN1 ON1
+ 419 50 214 216 218 # CN5G CN1 NN2G
+ 420 109 214 213 212 # NN2G CN2 NN3G
+ 421 8 215 214 216 # CN1 NN2G HN2
+ 422 3 216 218 208 # CN1 CN5G CN5
+ 423 4 216 218 219 # CN1 CN5G NN4
+ 424 41 218 219 220 # CN4 NN4 CN5G
+ 425 51 218 216 217 # CN5G CN1 ON1
+ 426 47 219 218 208 # CN5 CN5G NN4
+ 427 83 221 220 219 # HN3 CN4 NN4
+ 428 66 222 226 227 # CN7B CN7 HN7
+ 429 67 222 226 228 # CN7B CN7 ON2
+ 430 73 222 224 225 # CN7B ON5 HN5
+ 431 68 222 205 206 # CN7B CN7B HN7
+ 432 88 224 222 223 # HN7 CN7B ON5
+ 433 64 226 228 229 # CN7 ON2 P
+ 434 60 226 222 223 # CN7 CN7B HN7
+ 435 61 226 222 224 # CN7 CN7B ON5
+ 436 56 226 202 203 # CN7 CN7 HN7
+ 437 84 228 226 227 # HN7 CN7 ON2
+ 438 76 229 232 233 # CN8B ON2 P
+ 439 115 230 229 228 # ON2 P ON3
+ 440 115 230 229 232 # ON2 P ON3
+ 441 116 230 229 231 # ON3 P ON3
+ 442 115 231 229 228 # ON2 P ON3
+ 443 115 231 229 232 # ON2 P ON3
+ 444 91 232 233 235 # HN8 CN8B ON2
+ 445 91 232 233 234 # HN8 CN8B ON2
+ 446 63 232 233 236 # CN7 CN8B ON2
+ 447 114 232 229 228 # ON2 P ON2
+ 448 74 233 236 237 # CN8B CN7 HN7
+ 449 55 233 236 259 # CN7 CN7 CN8B
+ 450 75 233 236 238 # CN8B CN7 ON6B
+ 451 90 234 233 235 # HN8 CN8B HN8
+ 452 56 236 259 260 # CN7 CN7 HN7
+ 453 57 236 259 261 # CN7 CN7 ON2
+ 454 54 236 259 255 # CN7 CN7 CN7B
+ 455 65 236 238 239 # CN7 ON6B CN7B
+ 456 62 236 233 235 # CN7 CN8B HN8
+ 457 62 236 233 234 # CN7 CN8B HN8
+ 458 89 238 239 240 # HN7 CN7B ON6B
+ 459 72 238 239 255 # CN7B CN7B ON6B
+ 460 107 238 239 241 # NN2B CN7B ON6B
+ 461 85 238 236 237 # HN7 CN7 ON6B
+ 462 58 238 236 259 # CN7 CN7 ON6B
+ 463 68 239 255 256 # CN7B CN7B HN7
+ 464 71 239 255 257 # CN7B CN7B ON5
+ 465 59 239 255 259 # CN7 CN7B CN7B
+ 466 29 239 241 242 # CN3 NN2B CN7B
+ 467 13 239 241 244 # CN1T NN2B CN7B
+ 468 104 241 244 245 # NN2B CN1T ON1
+ 469 103 241 244 246 # NN2B CN1T NN2U
+ 470 33 241 242 250 # CN3T CN3 NN2B
+ 471 79 241 242 243 # HN3 CN3 NN2B
+ 472 87 241 239 240 # HN7 CN7B NN2B
+ 473 70 241 239 255 # CN7B CN7B NN2B
+ 474 32 243 242 250 # CN3T CN3 HN3
+ 475 9 244 246 248 # CN1 NN2U CN1T
+ 476 14 244 246 247 # CN1T NN2U HN2
+ 477 12 244 241 242 # CN1T NN2B CN3
+ 478 110 246 248 249 # NN2U CN1 ON1
+ 479 30 246 248 250 # CN3T CN1 NN2U
+ 480 111 246 244 245 # NN2U CN1T ON1
+ 481 10 247 246 248 # CN1 NN2U HN2
+ 482 1 248 250 242 # CN1 CN3T CN3
+ 483 2 248 250 251 # CN1 CN3T CN9
+ 484 34 250 251 254 # CN3T CN9 HN9
+ 485 34 250 251 253 # CN3T CN9 HN9
+ 486 34 250 251 252 # CN3T CN9 HN9
+ 487 31 250 248 249 # CN3T CN1 ON1
+ 488 27 251 250 242 # CN3 CN3T CN9
+ 489 92 252 251 254 # HN9 CN9 HN9
+ 490 92 252 251 253 # HN9 CN9 HN9
+ 491 92 253 251 254 # HN9 CN9 HN9
+ 492 66 255 259 260 # CN7B CN7 HN7
+ 493 67 255 259 261 # CN7B CN7 ON2
+ 494 73 255 257 258 # CN7B ON5 HN5
+ 495 68 255 239 240 # CN7B CN7B HN7
+ 496 88 257 255 256 # HN7 CN7B ON5
+ 497 64 259 261 262 # CN7 ON2 P
+ 498 60 259 255 256 # CN7 CN7B HN7
+ 499 61 259 255 257 # CN7 CN7B ON5
+ 500 56 259 236 237 # CN7 CN7 HN7
+ 501 84 261 259 260 # HN7 CN7 ON2
+ 502 76 262 265 266 # CN8B ON2 P
+ 503 115 263 262 261 # ON2 P ON3
+ 504 115 263 262 265 # ON2 P ON3
+ 505 116 263 262 264 # ON3 P ON3
+ 506 115 264 262 261 # ON2 P ON3
+ 507 115 264 262 265 # ON2 P ON3
+ 508 91 265 266 268 # HN8 CN8B ON2
+ 509 91 265 266 267 # HN8 CN8B ON2
+ 510 63 265 266 269 # CN7 CN8B ON2
+ 511 114 265 262 261 # ON2 P ON2
+ 512 74 266 269 270 # CN8B CN7 HN7
+ 513 55 266 269 292 # CN7 CN7 CN8B
+ 514 75 266 269 271 # CN8B CN7 ON6B
+ 515 90 267 266 268 # HN8 CN8B HN8
+ 516 56 269 292 293 # CN7 CN7 HN7
+ 517 57 269 292 294 # CN7 CN7 ON2
+ 518 54 269 292 288 # CN7 CN7 CN7B
+ 519 65 269 271 272 # CN7 ON6B CN7B
+ 520 62 269 266 268 # CN7 CN8B HN8
+ 521 62 269 266 267 # CN7 CN8B HN8
+ 522 89 271 272 273 # HN7 CN7B ON6B
+ 523 72 271 272 288 # CN7B CN7B ON6B
+ 524 107 271 272 274 # NN2B CN7B ON6B
+ 525 85 271 269 270 # HN7 CN7 ON6B
+ 526 58 271 269 292 # CN7 CN7 ON6B
+ 527 68 272 288 289 # CN7B CN7B HN7
+ 528 71 272 288 290 # CN7B CN7B ON5
+ 529 59 272 288 292 # CN7 CN7B CN7B
+ 530 29 272 274 275 # CN3 NN2B CN7B
+ 531 13 272 274 277 # CN1T NN2B CN7B
+ 532 104 274 277 278 # NN2B CN1T ON1
+ 533 103 274 277 279 # NN2B CN1T NN2U
+ 534 33 274 275 283 # CN3T CN3 NN2B
+ 535 79 274 275 276 # HN3 CN3 NN2B
+ 536 87 274 272 273 # HN7 CN7B NN2B
+ 537 70 274 272 288 # CN7B CN7B NN2B
+ 538 32 276 275 283 # CN3T CN3 HN3
+ 539 9 277 279 281 # CN1 NN2U CN1T
+ 540 14 277 279 280 # CN1T NN2U HN2
+ 541 12 277 274 275 # CN1T NN2B CN3
+ 542 110 279 281 282 # NN2U CN1 ON1
+ 543 30 279 281 283 # CN3T CN1 NN2U
+ 544 111 279 277 278 # NN2U CN1T ON1
+ 545 10 280 279 281 # CN1 NN2U HN2
+ 546 1 281 283 275 # CN1 CN3T CN3
+ 547 2 281 283 284 # CN1 CN3T CN9
+ 548 34 283 284 287 # CN3T CN9 HN9
+ 549 34 283 284 286 # CN3T CN9 HN9
+ 550 34 283 284 285 # CN3T CN9 HN9
+ 551 31 283 281 282 # CN3T CN1 ON1
+ 552 27 284 283 275 # CN3 CN3T CN9
+ 553 92 285 284 287 # HN9 CN9 HN9
+ 554 92 285 284 286 # HN9 CN9 HN9
+ 555 92 286 284 287 # HN9 CN9 HN9
+ 556 66 288 292 293 # CN7B CN7 HN7
+ 557 67 288 292 294 # CN7B CN7 ON2
+ 558 73 288 290 291 # CN7B ON5 HN5
+ 559 68 288 272 273 # CN7B CN7B HN7
+ 560 88 290 288 289 # HN7 CN7B ON5
+ 561 64 292 294 295 # CN7 ON2 P
+ 562 60 292 288 289 # CN7 CN7B HN7
+ 563 61 292 288 290 # CN7 CN7B ON5
+ 564 56 292 269 270 # CN7 CN7 HN7
+ 565 84 294 292 293 # HN7 CN7 ON2
+ 566 76 295 298 299 # CN8B ON2 P
+ 567 115 296 295 294 # ON2 P ON3
+ 568 115 296 295 298 # ON2 P ON3
+ 569 116 296 295 297 # ON3 P ON3
+ 570 115 297 295 294 # ON2 P ON3
+ 571 115 297 295 298 # ON2 P ON3
+ 572 91 298 299 301 # HN8 CN8B ON2
+ 573 91 298 299 300 # HN8 CN8B ON2
+ 574 63 298 299 302 # CN7 CN8B ON2
+ 575 114 298 295 294 # ON2 P ON2
+ 576 74 299 302 303 # CN8B CN7 HN7
+ 577 55 299 302 325 # CN7 CN7 CN8B
+ 578 75 299 302 304 # CN8B CN7 ON6B
+ 579 90 300 299 301 # HN8 CN8B HN8
+ 580 56 302 325 326 # CN7 CN7 HN7
+ 581 57 302 325 327 # CN7 CN7 ON2
+ 582 54 302 325 321 # CN7 CN7 CN7B
+ 583 65 302 304 305 # CN7 ON6B CN7B
+ 584 62 302 299 301 # CN7 CN8B HN8
+ 585 62 302 299 300 # CN7 CN8B HN8
+ 586 89 304 305 306 # HN7 CN7B ON6B
+ 587 72 304 305 321 # CN7B CN7B ON6B
+ 588 102 304 305 307 # NN2 CN7B ON6B
+ 589 85 304 302 303 # HN7 CN7 ON6B
+ 590 58 304 302 325 # CN7 CN7 ON6B
+ 591 68 305 321 322 # CN7B CN7B HN7
+ 592 71 305 321 323 # CN7B CN7B ON5
+ 593 59 305 321 325 # CN7 CN7B CN7B
+ 594 36 305 307 310 # CN4 NN2 CN7B
+ 595 48 305 307 316 # CN5 NN2 CN7B
+ 596 44 307 316 308 # CN5 CN5 NN2
+ 597 101 307 316 315 # NN2 CN5 NN3A
+ 598 100 307 310 309 # NN2 CN4 NN4
+ 599 80 307 310 311 # HN3 CN4 NN2
+ 600 86 307 305 306 # HN7 CN7B NN2
+ 601 69 307 305 321 # CN7B CN7B NN2
+ 602 43 308 317 312 # CN5 CN2 NN3A
+ 603 40 308 309 310 # CN4 NN4 CN5
+ 604 46 309 308 316 # CN5 CN5 NN4
+ 605 83 311 310 309 # HN3 CN4 NN4
+ 606 113 312 313 315 # NN3A CN4 NN3A
+ 607 82 312 313 314 # HN3 CN4 NN3A
+ 608 21 313 312 317 # CN2 NN3A CN4
+ 609 82 314 313 315 # HN3 CN4 NN3A
+ 610 45 315 316 308 # CN5 CN5 NN3A
+ 611 39 316 315 313 # CN4 NN3A CN5
+ 612 35 316 307 310 # CN4 NN2 CN5
+ 613 19 317 318 320 # CN2 NN1 HN1
+ 614 19 317 318 319 # CN2 NN1 HN1
+ 615 17 317 308 316 # CN2 CN5 CN5
+ 616 18 317 308 309 # CN2 CN5 NN4
+ 617 96 318 317 312 # NN1 CN2 NN3A
+ 618 42 318 317 308 # CN5 CN2 NN1
+ 619 77 319 318 320 # HN1 NN1 HN1
+ 620 66 321 325 326 # CN7B CN7 HN7
+ 621 67 321 325 327 # CN7B CN7 ON2
+ 622 73 321 323 324 # CN7B ON5 HN5
+ 623 68 321 305 306 # CN7B CN7B HN7
+ 624 88 323 321 322 # HN7 CN7B ON5
+ 625 64 325 327 328 # CN7 ON2 P
+ 626 60 325 321 322 # CN7 CN7B HN7
+ 627 61 325 321 323 # CN7 CN7B ON5
+ 628 56 325 302 303 # CN7 CN7 HN7
+ 629 84 327 325 326 # HN7 CN7 ON2
+ 630 76 328 331 332 # CN8B ON2 P
+ 631 115 329 328 327 # ON2 P ON3
+ 632 115 329 328 331 # ON2 P ON3
+ 633 116 329 328 330 # ON3 P ON3
+ 634 115 330 328 327 # ON2 P ON3
+ 635 115 330 328 331 # ON2 P ON3
+ 636 91 331 332 334 # HN8 CN8B ON2
+ 637 91 331 332 333 # HN8 CN8B ON2
+ 638 63 331 332 335 # CN7 CN8B ON2
+ 639 114 331 328 327 # ON2 P ON2
+ 640 74 332 335 336 # CN8B CN7 HN7
+ 641 55 332 335 358 # CN7 CN7 CN8B
+ 642 75 332 335 337 # CN8B CN7 ON6B
+ 643 90 333 332 334 # HN8 CN8B HN8
+ 644 56 335 358 359 # CN7 CN7 HN7
+ 645 57 335 358 360 # CN7 CN7 ON2
+ 646 54 335 358 354 # CN7 CN7 CN7B
+ 647 65 335 337 338 # CN7 ON6B CN7B
+ 648 62 335 332 334 # CN7 CN8B HN8
+ 649 62 335 332 333 # CN7 CN8B HN8
+ 650 89 337 338 339 # HN7 CN7B ON6B
+ 651 72 337 338 354 # CN7B CN7B ON6B
+ 652 107 337 338 340 # NN2B CN7B ON6B
+ 653 85 337 335 336 # HN7 CN7 ON6B
+ 654 58 337 335 358 # CN7 CN7 ON6B
+ 655 68 338 354 355 # CN7B CN7B HN7
+ 656 71 338 354 356 # CN7B CN7B ON5
+ 657 59 338 354 358 # CN7 CN7B CN7B
+ 658 29 338 340 341 # CN3 NN2B CN7B
+ 659 13 338 340 343 # CN1T NN2B CN7B
+ 660 104 340 343 344 # NN2B CN1T ON1
+ 661 103 340 343 345 # NN2B CN1T NN2U
+ 662 33 340 341 349 # CN3T CN3 NN2B
+ 663 79 340 341 342 # HN3 CN3 NN2B
+ 664 87 340 338 339 # HN7 CN7B NN2B
+ 665 70 340 338 354 # CN7B CN7B NN2B
+ 666 32 342 341 349 # CN3T CN3 HN3
+ 667 9 343 345 347 # CN1 NN2U CN1T
+ 668 14 343 345 346 # CN1T NN2U HN2
+ 669 12 343 340 341 # CN1T NN2B CN3
+ 670 110 345 347 348 # NN2U CN1 ON1
+ 671 30 345 347 349 # CN3T CN1 NN2U
+ 672 111 345 343 344 # NN2U CN1T ON1
+ 673 10 346 345 347 # CN1 NN2U HN2
+ 674 1 347 349 341 # CN1 CN3T CN3
+ 675 2 347 349 350 # CN1 CN3T CN9
+ 676 34 349 350 353 # CN3T CN9 HN9
+ 677 34 349 350 352 # CN3T CN9 HN9
+ 678 34 349 350 351 # CN3T CN9 HN9
+ 679 31 349 347 348 # CN3T CN1 ON1
+ 680 27 350 349 341 # CN3 CN3T CN9
+ 681 92 351 350 353 # HN9 CN9 HN9
+ 682 92 351 350 352 # HN9 CN9 HN9
+ 683 92 352 350 353 # HN9 CN9 HN9
+ 684 66 354 358 359 # CN7B CN7 HN7
+ 685 67 354 358 360 # CN7B CN7 ON2
+ 686 73 354 356 357 # CN7B ON5 HN5
+ 687 68 354 338 339 # CN7B CN7B HN7
+ 688 88 356 354 355 # HN7 CN7B ON5
+ 689 64 358 360 361 # CN7 ON2 P
+ 690 60 358 354 355 # CN7 CN7B HN7
+ 691 61 358 354 356 # CN7 CN7B ON5
+ 692 56 358 335 336 # CN7 CN7 HN7
+ 693 84 360 358 359 # HN7 CN7 ON2
+ 694 76 361 364 365 # CN8B ON2 P
+ 695 115 362 361 360 # ON2 P ON3
+ 696 115 362 361 364 # ON2 P ON3
+ 697 116 362 361 363 # ON3 P ON3
+ 698 115 363 361 360 # ON2 P ON3
+ 699 115 363 361 364 # ON2 P ON3
+ 700 91 364 365 367 # HN8 CN8B ON2
+ 701 91 364 365 366 # HN8 CN8B ON2
+ 702 63 364 365 368 # CN7 CN8B ON2
+ 703 114 364 361 360 # ON2 P ON2
+ 704 74 365 368 369 # CN8B CN7 HN7
+ 705 55 365 368 391 # CN7 CN7 CN8B
+ 706 75 365 368 370 # CN8B CN7 ON6B
+ 707 90 366 365 367 # HN8 CN8B HN8
+ 708 56 368 391 392 # CN7 CN7 HN7
+ 709 57 368 391 393 # CN7 CN7 ON2
+ 710 54 368 391 387 # CN7 CN7 CN7B
+ 711 65 368 370 371 # CN7 ON6B CN7B
+ 712 62 368 365 367 # CN7 CN8B HN8
+ 713 62 368 365 366 # CN7 CN8B HN8
+ 714 89 370 371 372 # HN7 CN7B ON6B
+ 715 72 370 371 387 # CN7B CN7B ON6B
+ 716 102 370 371 373 # NN2 CN7B ON6B
+ 717 85 370 368 369 # HN7 CN7 ON6B
+ 718 58 370 368 391 # CN7 CN7 ON6B
+ 719 68 371 387 388 # CN7B CN7B HN7
+ 720 71 371 387 389 # CN7B CN7B ON5
+ 721 59 371 387 391 # CN7 CN7B CN7B
+ 722 36 371 373 376 # CN4 NN2 CN7B
+ 723 48 371 373 382 # CN5 NN2 CN7B
+ 724 44 373 382 374 # CN5 CN5 NN2
+ 725 101 373 382 381 # NN2 CN5 NN3A
+ 726 100 373 376 375 # NN2 CN4 NN4
+ 727 80 373 376 377 # HN3 CN4 NN2
+ 728 86 373 371 372 # HN7 CN7B NN2
+ 729 69 373 371 387 # CN7B CN7B NN2
+ 730 43 374 383 378 # CN5 CN2 NN3A
+ 731 40 374 375 376 # CN4 NN4 CN5
+ 732 46 375 374 382 # CN5 CN5 NN4
+ 733 83 377 376 375 # HN3 CN4 NN4
+ 734 113 378 379 381 # NN3A CN4 NN3A
+ 735 82 378 379 380 # HN3 CN4 NN3A
+ 736 21 379 378 383 # CN2 NN3A CN4
+ 737 82 380 379 381 # HN3 CN4 NN3A
+ 738 45 381 382 374 # CN5 CN5 NN3A
+ 739 39 382 381 379 # CN4 NN3A CN5
+ 740 35 382 373 376 # CN4 NN2 CN5
+ 741 19 383 384 386 # CN2 NN1 HN1
+ 742 19 383 384 385 # CN2 NN1 HN1
+ 743 17 383 374 382 # CN2 CN5 CN5
+ 744 18 383 374 375 # CN2 CN5 NN4
+ 745 96 384 383 378 # NN1 CN2 NN3A
+ 746 42 384 383 374 # CN5 CN2 NN1
+ 747 77 385 384 386 # HN1 NN1 HN1
+ 748 66 387 391 392 # CN7B CN7 HN7
+ 749 67 387 391 393 # CN7B CN7 ON2
+ 750 73 387 389 390 # CN7B ON5 HN5
+ 751 68 387 371 372 # CN7B CN7B HN7
+ 752 88 389 387 388 # HN7 CN7B ON5
+ 753 64 391 393 394 # CN7 ON2 P
+ 754 60 391 387 388 # CN7 CN7B HN7
+ 755 61 391 387 389 # CN7 CN7B ON5
+ 756 56 391 368 369 # CN7 CN7 HN7
+ 757 84 393 391 392 # HN7 CN7 ON2
+ 758 76 394 397 398 # CN8B ON2 P
+ 759 115 395 394 393 # ON2 P ON3
+ 760 115 395 394 397 # ON2 P ON3
+ 761 116 395 394 396 # ON3 P ON3
+ 762 115 396 394 393 # ON2 P ON3
+ 763 115 396 394 397 # ON2 P ON3
+ 764 91 397 398 400 # HN8 CN8B ON2
+ 765 91 397 398 399 # HN8 CN8B ON2
+ 766 63 397 398 401 # CN7 CN8B ON2
+ 767 114 397 394 393 # ON2 P ON2
+ 768 74 398 401 402 # CN8B CN7 HN7
+ 769 55 398 401 425 # CN7 CN7 CN8B
+ 770 75 398 401 403 # CN8B CN7 ON6B
+ 771 90 399 398 400 # HN8 CN8B HN8
+ 772 56 401 425 426 # CN7 CN7 HN7
+ 773 57 401 425 427 # CN7 CN7 ON2
+ 774 54 401 425 421 # CN7 CN7 CN7B
+ 775 65 401 403 404 # CN7 ON6B CN7B
+ 776 62 401 398 400 # CN7 CN8B HN8
+ 777 62 401 398 399 # CN7 CN8B HN8
+ 778 89 403 404 405 # HN7 CN7B ON6B
+ 779 72 403 404 421 # CN7B CN7B ON6B
+ 780 107 403 404 406 # NN2B CN7B ON6B
+ 781 85 403 401 402 # HN7 CN7 ON6B
+ 782 58 403 401 425 # CN7 CN7 ON6B
+ 783 68 404 421 422 # CN7B CN7B HN7
+ 784 71 404 421 423 # CN7B CN7B ON5
+ 785 59 404 421 425 # CN7 CN7B CN7B
+ 786 38 404 406 419 # CN4 NN2B CN7B
+ 787 49 404 406 407 # CN5 NN2B CN7B
+ 788 105 406 419 418 # NN2B CN4 NN4
+ 789 81 406 419 420 # HN3 CN4 NN2B
+ 790 52 406 407 417 # CN5G CN5 NN2B
+ 791 106 406 407 411 # NN2B CN5 NN3G
+ 792 87 406 404 405 # HN7 CN7B NN2B
+ 793 70 406 404 421 # CN7B CN7B NN2B
+ 794 22 407 411 412 # CN2 NN3G CN5
+ 795 37 407 406 419 # CN4 NN2B CN5
+ 796 97 408 412 411 # NN1 CN2 NN3G
+ 797 94 408 412 413 # NN1 CN2 NN2G
+ 798 77 409 408 410 # HN1 NN1 HN1
+ 799 53 411 407 417 # CN5G CN5 NN3G
+ 800 7 412 413 415 # CN1 NN2G CN2
+ 801 20 412 413 414 # CN2 NN2G HN2
+ 802 19 412 408 410 # CN2 NN1 HN1
+ 803 19 412 408 409 # CN2 NN1 HN1
+ 804 108 413 415 416 # NN2G CN1 ON1
+ 805 50 413 415 417 # CN5G CN1 NN2G
+ 806 109 413 412 411 # NN2G CN2 NN3G
+ 807 8 414 413 415 # CN1 NN2G HN2
+ 808 3 415 417 407 # CN1 CN5G CN5
+ 809 4 415 417 418 # CN1 CN5G NN4
+ 810 41 417 418 419 # CN4 NN4 CN5G
+ 811 51 417 415 416 # CN5G CN1 ON1
+ 812 47 418 417 407 # CN5 CN5G NN4
+ 813 83 420 419 418 # HN3 CN4 NN4
+ 814 66 421 425 426 # CN7B CN7 HN7
+ 815 67 421 425 427 # CN7B CN7 ON2
+ 816 73 421 423 424 # CN7B ON5 HN5
+ 817 68 421 404 405 # CN7B CN7B HN7
+ 818 88 423 421 422 # HN7 CN7B ON5
+ 819 64 425 427 428 # CN7 ON2 P
+ 820 60 425 421 422 # CN7 CN7B HN7
+ 821 61 425 421 423 # CN7 CN7B ON5
+ 822 56 425 401 402 # CN7 CN7 HN7
+ 823 84 427 425 426 # HN7 CN7 ON2
+ 824 76 428 431 432 # CN8B ON2 P
+ 825 115 429 428 427 # ON2 P ON3
+ 826 115 429 428 431 # ON2 P ON3
+ 827 116 429 428 430 # ON3 P ON3
+ 828 115 430 428 427 # ON2 P ON3
+ 829 115 430 428 431 # ON2 P ON3
+ 830 91 431 432 434 # HN8 CN8B ON2
+ 831 91 431 432 433 # HN8 CN8B ON2
+ 832 63 431 432 435 # CN7 CN8B ON2
+ 833 114 431 428 427 # ON2 P ON2
+ 834 74 432 435 436 # CN8B CN7 HN7
+ 835 55 432 435 459 # CN7 CN7 CN8B
+ 836 75 432 435 437 # CN8B CN7 ON6B
+ 837 90 433 432 434 # HN8 CN8B HN8
+ 838 56 435 459 460 # CN7 CN7 HN7
+ 839 57 435 459 461 # CN7 CN7 ON2
+ 840 54 435 459 455 # CN7 CN7 CN7B
+ 841 65 435 437 438 # CN7 ON6B CN7B
+ 842 62 435 432 434 # CN7 CN8B HN8
+ 843 62 435 432 433 # CN7 CN8B HN8
+ 844 89 437 438 439 # HN7 CN7B ON6B
+ 845 72 437 438 455 # CN7B CN7B ON6B
+ 846 107 437 438 440 # NN2B CN7B ON6B
+ 847 85 437 435 436 # HN7 CN7 ON6B
+ 848 58 437 435 459 # CN7 CN7 ON6B
+ 849 68 438 455 456 # CN7B CN7B HN7
+ 850 71 438 455 457 # CN7B CN7B ON5
+ 851 59 438 455 459 # CN7 CN7B CN7B
+ 852 38 438 440 453 # CN4 NN2B CN7B
+ 853 49 438 440 441 # CN5 NN2B CN7B
+ 854 105 440 453 452 # NN2B CN4 NN4
+ 855 81 440 453 454 # HN3 CN4 NN2B
+ 856 52 440 441 451 # CN5G CN5 NN2B
+ 857 106 440 441 445 # NN2B CN5 NN3G
+ 858 87 440 438 439 # HN7 CN7B NN2B
+ 859 70 440 438 455 # CN7B CN7B NN2B
+ 860 22 441 445 446 # CN2 NN3G CN5
+ 861 37 441 440 453 # CN4 NN2B CN5
+ 862 97 442 446 445 # NN1 CN2 NN3G
+ 863 94 442 446 447 # NN1 CN2 NN2G
+ 864 77 443 442 444 # HN1 NN1 HN1
+ 865 53 445 441 451 # CN5G CN5 NN3G
+ 866 7 446 447 449 # CN1 NN2G CN2
+ 867 20 446 447 448 # CN2 NN2G HN2
+ 868 19 446 442 444 # CN2 NN1 HN1
+ 869 19 446 442 443 # CN2 NN1 HN1
+ 870 108 447 449 450 # NN2G CN1 ON1
+ 871 50 447 449 451 # CN5G CN1 NN2G
+ 872 109 447 446 445 # NN2G CN2 NN3G
+ 873 8 448 447 449 # CN1 NN2G HN2
+ 874 3 449 451 441 # CN1 CN5G CN5
+ 875 4 449 451 452 # CN1 CN5G NN4
+ 876 41 451 452 453 # CN4 NN4 CN5G
+ 877 51 451 449 450 # CN5G CN1 ON1
+ 878 47 452 451 441 # CN5 CN5G NN4
+ 879 83 454 453 452 # HN3 CN4 NN4
+ 880 66 455 459 460 # CN7B CN7 HN7
+ 881 67 455 459 461 # CN7B CN7 ON2
+ 882 73 455 457 458 # CN7B ON5 HN5
+ 883 68 455 438 439 # CN7B CN7B HN7
+ 884 88 457 455 456 # HN7 CN7B ON5
+ 885 64 459 461 462 # CN7 ON2 P
+ 886 60 459 455 456 # CN7 CN7B HN7
+ 887 61 459 455 457 # CN7 CN7B ON5
+ 888 56 459 435 436 # CN7 CN7 HN7
+ 889 84 461 459 460 # HN7 CN7 ON2
+ 890 76 462 465 466 # CN8B ON2 P
+ 891 115 463 462 461 # ON2 P ON3
+ 892 115 463 462 465 # ON2 P ON3
+ 893 116 463 462 464 # ON3 P ON3
+ 894 115 464 462 461 # ON2 P ON3
+ 895 115 464 462 465 # ON2 P ON3
+ 896 91 465 466 468 # HN8 CN8B ON2
+ 897 91 465 466 467 # HN8 CN8B ON2
+ 898 63 465 466 469 # CN7 CN8B ON2
+ 899 114 465 462 461 # ON2 P ON2
+ 900 74 466 469 470 # CN8B CN7 HN7
+ 901 55 466 469 492 # CN7 CN7 CN8B
+ 902 75 466 469 471 # CN8B CN7 ON6B
+ 903 90 467 466 468 # HN8 CN8B HN8
+ 904 56 469 492 493 # CN7 CN7 HN7
+ 905 57 469 492 494 # CN7 CN7 ON2
+ 906 54 469 492 488 # CN7 CN7 CN7B
+ 907 65 469 471 472 # CN7 ON6B CN7B
+ 908 62 469 466 468 # CN7 CN8B HN8
+ 909 62 469 466 467 # CN7 CN8B HN8
+ 910 89 471 472 473 # HN7 CN7B ON6B
+ 911 72 471 472 488 # CN7B CN7B ON6B
+ 912 102 471 472 474 # NN2 CN7B ON6B
+ 913 85 471 469 470 # HN7 CN7 ON6B
+ 914 58 471 469 492 # CN7 CN7 ON6B
+ 915 68 472 488 489 # CN7B CN7B HN7
+ 916 71 472 488 490 # CN7B CN7B ON5
+ 917 59 472 488 492 # CN7 CN7B CN7B
+ 918 36 472 474 477 # CN4 NN2 CN7B
+ 919 48 472 474 483 # CN5 NN2 CN7B
+ 920 44 474 483 475 # CN5 CN5 NN2
+ 921 101 474 483 482 # NN2 CN5 NN3A
+ 922 100 474 477 476 # NN2 CN4 NN4
+ 923 80 474 477 478 # HN3 CN4 NN2
+ 924 86 474 472 473 # HN7 CN7B NN2
+ 925 69 474 472 488 # CN7B CN7B NN2
+ 926 43 475 484 479 # CN5 CN2 NN3A
+ 927 40 475 476 477 # CN4 NN4 CN5
+ 928 46 476 475 483 # CN5 CN5 NN4
+ 929 83 478 477 476 # HN3 CN4 NN4
+ 930 113 479 480 482 # NN3A CN4 NN3A
+ 931 82 479 480 481 # HN3 CN4 NN3A
+ 932 21 480 479 484 # CN2 NN3A CN4
+ 933 82 481 480 482 # HN3 CN4 NN3A
+ 934 45 482 483 475 # CN5 CN5 NN3A
+ 935 39 483 482 480 # CN4 NN3A CN5
+ 936 35 483 474 477 # CN4 NN2 CN5
+ 937 19 484 485 487 # CN2 NN1 HN1
+ 938 19 484 485 486 # CN2 NN1 HN1
+ 939 17 484 475 483 # CN2 CN5 CN5
+ 940 18 484 475 476 # CN2 CN5 NN4
+ 941 96 485 484 479 # NN1 CN2 NN3A
+ 942 42 485 484 475 # CN5 CN2 NN1
+ 943 77 486 485 487 # HN1 NN1 HN1
+ 944 66 488 492 493 # CN7B CN7 HN7
+ 945 67 488 492 494 # CN7B CN7 ON2
+ 946 73 488 490 491 # CN7B ON5 HN5
+ 947 68 488 472 473 # CN7B CN7B HN7
+ 948 88 490 488 489 # HN7 CN7B ON5
+ 949 64 492 494 495 # CN7 ON2 P
+ 950 60 492 488 489 # CN7 CN7B HN7
+ 951 61 492 488 490 # CN7 CN7B ON5
+ 952 56 492 469 470 # CN7 CN7 HN7
+ 953 84 494 492 493 # HN7 CN7 ON2
+ 954 76 495 498 499 # CN8B ON2 P
+ 955 115 496 495 494 # ON2 P ON3
+ 956 115 496 495 498 # ON2 P ON3
+ 957 116 496 495 497 # ON3 P ON3
+ 958 115 497 495 494 # ON2 P ON3
+ 959 115 497 495 498 # ON2 P ON3
+ 960 91 498 499 501 # HN8 CN8B ON2
+ 961 91 498 499 500 # HN8 CN8B ON2
+ 962 63 498 499 502 # CN7 CN8B ON2
+ 963 114 498 495 494 # ON2 P ON2
+ 964 74 499 502 503 # CN8B CN7 HN7
+ 965 55 499 502 525 # CN7 CN7 CN8B
+ 966 75 499 502 504 # CN8B CN7 ON6B
+ 967 90 500 499 501 # HN8 CN8B HN8
+ 968 56 502 525 526 # CN7 CN7 HN7
+ 969 57 502 525 527 # CN7 CN7 ON2
+ 970 54 502 525 521 # CN7 CN7 CN7B
+ 971 65 502 504 505 # CN7 ON6B CN7B
+ 972 62 502 499 501 # CN7 CN8B HN8
+ 973 62 502 499 500 # CN7 CN8B HN8
+ 974 89 504 505 506 # HN7 CN7B ON6B
+ 975 72 504 505 521 # CN7B CN7B ON6B
+ 976 107 504 505 507 # NN2B CN7B ON6B
+ 977 85 504 502 503 # HN7 CN7 ON6B
+ 978 58 504 502 525 # CN7 CN7 ON6B
+ 979 68 505 521 522 # CN7B CN7B HN7
+ 980 71 505 521 523 # CN7B CN7B ON5
+ 981 59 505 521 525 # CN7 CN7B CN7B
+ 982 29 505 507 508 # CN3 NN2B CN7B
+ 983 13 505 507 510 # CN1T NN2B CN7B
+ 984 104 507 510 511 # NN2B CN1T ON1
+ 985 103 507 510 512 # NN2B CN1T NN2U
+ 986 33 507 508 516 # CN3T CN3 NN2B
+ 987 79 507 508 509 # HN3 CN3 NN2B
+ 988 87 507 505 506 # HN7 CN7B NN2B
+ 989 70 507 505 521 # CN7B CN7B NN2B
+ 990 32 509 508 516 # CN3T CN3 HN3
+ 991 9 510 512 514 # CN1 NN2U CN1T
+ 992 14 510 512 513 # CN1T NN2U HN2
+ 993 12 510 507 508 # CN1T NN2B CN3
+ 994 110 512 514 515 # NN2U CN1 ON1
+ 995 30 512 514 516 # CN3T CN1 NN2U
+ 996 111 512 510 511 # NN2U CN1T ON1
+ 997 10 513 512 514 # CN1 NN2U HN2
+ 998 1 514 516 508 # CN1 CN3T CN3
+ 999 2 514 516 517 # CN1 CN3T CN9
+ 1000 34 516 517 520 # CN3T CN9 HN9
+ 1001 34 516 517 519 # CN3T CN9 HN9
+ 1002 34 516 517 518 # CN3T CN9 HN9
+ 1003 31 516 514 515 # CN3T CN1 ON1
+ 1004 27 517 516 508 # CN3 CN3T CN9
+ 1005 92 518 517 520 # HN9 CN9 HN9
+ 1006 92 518 517 519 # HN9 CN9 HN9
+ 1007 92 519 517 520 # HN9 CN9 HN9
+ 1008 66 521 525 526 # CN7B CN7 HN7
+ 1009 67 521 525 527 # CN7B CN7 ON2
+ 1010 73 521 523 524 # CN7B ON5 HN5
+ 1011 68 521 505 506 # CN7B CN7B HN7
+ 1012 88 523 521 522 # HN7 CN7B ON5
+ 1013 60 525 521 522 # CN7 CN7B HN7
+ 1014 61 525 521 523 # CN7 CN7B ON5
+ 1015 56 525 502 503 # CN7 CN7 HN7
+ 1016 84 527 525 526 # HN7 CN7 ON2
+ 1017 93 529 528 530 # HT OT HT
+ 1018 93 532 531 533 # HT OT HT
+ 1019 93 536 535 537 # HT OT HT
+ 1020 93 539 538 540 # HT OT HT
+ 1021 93 543 542 544 # HT OT HT
+ 1022 93 546 545 547 # HT OT HT
+ 1023 93 549 548 550 # HT OT HT
+ 1024 93 552 551 553 # HT OT HT
+ 1025 93 555 554 556 # HT OT HT
+ 1026 93 558 557 559 # HT OT HT
+ 1027 93 561 560 562 # HT OT HT
+ 1028 93 564 563 565 # HT OT HT
+ 1029 93 567 566 568 # HT OT HT
+ 1030 93 570 569 571 # HT OT HT
+ 1031 93 573 572 574 # HT OT HT
+ 1032 93 576 575 577 # HT OT HT
+ 1033 93 579 578 580 # HT OT HT
+ 1034 93 582 581 583 # HT OT HT
+ 1035 93 585 584 586 # HT OT HT
+ 1036 93 588 587 589 # HT OT HT
+ 1037 93 591 590 592 # HT OT HT
+ 1038 93 594 593 595 # HT OT HT
+ 1039 93 597 596 598 # HT OT HT
+ 1040 93 600 599 601 # HT OT HT
+ 1041 93 603 602 604 # HT OT HT
+ 1042 93 606 605 607 # HT OT HT
+ 1043 93 609 608 610 # HT OT HT
+ 1044 93 612 611 613 # HT OT HT
+ 1045 93 615 614 616 # HT OT HT
+ 1046 93 618 617 619 # HT OT HT
+ 1047 93 621 620 622 # HT OT HT
+ 1048 93 624 623 625 # HT OT HT
+ 1049 93 627 626 628 # HT OT HT
+ 1050 93 630 629 631 # HT OT HT
+ 1051 93 633 632 634 # HT OT HT
+ 1052 93 636 635 637 # HT OT HT
+ 1053 93 639 638 640 # HT OT HT
+ 1054 93 642 641 643 # HT OT HT
+ 1055 93 645 644 646 # HT OT HT
+ 1056 93 648 647 649 # HT OT HT
+ 1057 93 651 650 652 # HT OT HT
+ 1058 93 654 653 655 # HT OT HT
+ 1059 93 657 656 658 # HT OT HT
+ 1060 93 660 659 661 # HT OT HT
+ 1061 93 663 662 664 # HT OT HT
+ 1062 93 666 665 667 # HT OT HT
+ 1063 93 669 668 670 # HT OT HT
+ 1064 93 672 671 673 # HT OT HT
+ 1065 93 675 674 676 # HT OT HT
+ 1066 93 678 677 679 # HT OT HT
+ 1067 93 681 680 682 # HT OT HT
+ 1068 93 684 683 685 # HT OT HT
+ 1069 93 687 686 688 # HT OT HT
+ 1070 93 690 689 691 # HT OT HT
+ 1071 93 693 692 694 # HT OT HT
+ 1072 93 696 695 697 # HT OT HT
+ 1073 93 699 698 700 # HT OT HT
+ 1074 93 702 701 703 # HT OT HT
+ 1075 93 705 704 706 # HT OT HT
+ 1076 93 708 707 709 # HT OT HT
+ 1077 93 711 710 712 # HT OT HT
+ 1078 93 714 713 715 # HT OT HT
+ 1079 93 717 716 718 # HT OT HT
+ 1080 93 720 719 721 # HT OT HT
+ 1081 93 723 722 724 # HT OT HT
+ 1082 93 726 725 727 # HT OT HT
+ 1083 93 729 728 730 # HT OT HT
+ 1084 93 732 731 733 # HT OT HT
+ 1085 93 735 734 736 # HT OT HT
+ 1086 93 738 737 739 # HT OT HT
+ 1087 93 741 740 742 # HT OT HT
+ 1088 93 744 743 745 # HT OT HT
+ 1089 93 747 746 748 # HT OT HT
+ 1090 93 750 749 751 # HT OT HT
+ 1091 93 753 752 754 # HT OT HT
+ 1092 93 756 755 757 # HT OT HT
+ 1093 93 759 758 760 # HT OT HT
+ 1094 93 762 761 763 # HT OT HT
+ 1095 93 765 764 766 # HT OT HT
+ 1096 93 768 767 769 # HT OT HT
+ 1097 93 771 770 772 # HT OT HT
+ 1098 93 774 773 775 # HT OT HT
+ 1099 93 777 776 778 # HT OT HT
+ 1100 93 780 779 781 # HT OT HT
+ 1101 93 783 782 784 # HT OT HT
+ 1102 93 786 785 787 # HT OT HT
+ 1103 93 789 788 790 # HT OT HT
+ 1104 93 792 791 793 # HT OT HT
+ 1105 93 795 794 796 # HT OT HT
+ 1106 93 798 797 799 # HT OT HT
+ 1107 93 801 800 802 # HT OT HT
+ 1108 93 804 803 805 # HT OT HT
+ 1109 93 807 806 808 # HT OT HT
+ 1110 93 810 809 811 # HT OT HT
+ 1111 93 813 812 814 # HT OT HT
+ 1112 93 816 815 817 # HT OT HT
+ 1113 93 819 818 820 # HT OT HT
+ 1114 93 822 821 823 # HT OT HT
+ 1115 93 826 825 827 # HT OT HT
+ 1116 93 829 828 830 # HT OT HT
+ 1117 93 832 831 833 # HT OT HT
+ 1118 93 835 834 836 # HT OT HT
+ 1119 93 838 837 839 # HT OT HT
+ 1120 93 841 840 842 # HT OT HT
+ 1121 93 844 843 845 # HT OT HT
+ 1122 93 847 846 848 # HT OT HT
+ 1123 93 850 849 851 # HT OT HT
+ 1124 93 853 852 854 # HT OT HT
+ 1125 93 856 855 857 # HT OT HT
+ 1126 93 860 859 861 # HT OT HT
+ 1127 93 863 862 864 # HT OT HT
+ 1128 93 867 866 868 # HT OT HT
+ 1129 93 870 869 871 # HT OT HT
+ 1130 93 873 872 874 # HT OT HT
+ 1131 93 876 875 877 # HT OT HT
+ 1132 93 879 878 880 # HT OT HT
+ 1133 93 882 881 883 # HT OT HT
+ 1134 93 885 884 886 # HT OT HT
+ 1135 93 888 887 889 # HT OT HT
+ 1136 93 891 890 892 # HT OT HT
+ 1137 93 894 893 895 # HT OT HT
+ 1138 93 897 896 898 # HT OT HT
+ 1139 93 900 899 901 # HT OT HT
+ 1140 93 903 902 904 # HT OT HT
+ 1141 93 906 905 907 # HT OT HT
+ 1142 93 909 908 910 # HT OT HT
+ 1143 93 912 911 913 # HT OT HT
+ 1144 93 915 914 916 # HT OT HT
+ 1145 93 918 917 919 # HT OT HT
+ 1146 93 921 920 922 # HT OT HT
+ 1147 93 924 923 925 # HT OT HT
+ 1148 93 927 926 928 # HT OT HT
+ 1149 93 930 929 931 # HT OT HT
+ 1150 93 933 932 934 # HT OT HT
+ 1151 93 936 935 937 # HT OT HT
+ 1152 93 939 938 940 # HT OT HT
+ 1153 93 942 941 943 # HT OT HT
+ 1154 93 945 944 946 # HT OT HT
+ 1155 93 948 947 949 # HT OT HT
+ 1156 93 951 950 952 # HT OT HT
+ 1157 93 954 953 955 # HT OT HT
+ 1158 93 957 956 958 # HT OT HT
+ 1159 93 960 959 961 # HT OT HT
+ 1160 93 963 962 964 # HT OT HT
+ 1161 93 966 965 967 # HT OT HT
+ 1162 93 969 968 970 # HT OT HT
+ 1163 93 972 971 973 # HT OT HT
+ 1164 93 975 974 976 # HT OT HT
+ 1165 93 978 977 979 # HT OT HT
+ 1166 93 981 980 982 # HT OT HT
+ 1167 93 984 983 985 # HT OT HT
+ 1168 93 987 986 988 # HT OT HT
+ 1169 93 990 989 991 # HT OT HT
+ 1170 93 993 992 994 # HT OT HT
+ 1171 93 996 995 997 # HT OT HT
+ 1172 93 999 998 1000 # HT OT HT
+ 1173 93 1002 1001 1003 # HT OT HT
+ 1174 93 1005 1004 1006 # HT OT HT
+ 1175 93 1008 1007 1009 # HT OT HT
+ 1176 93 1012 1011 1013 # HT OT HT
+ 1177 93 1015 1014 1016 # HT OT HT
+ 1178 93 1018 1017 1019 # HT OT HT
+ 1179 93 1021 1020 1022 # HT OT HT
+ 1180 93 1024 1023 1025 # HT OT HT
+ 1181 93 1027 1026 1028 # HT OT HT
+ 1182 93 1030 1029 1031 # HT OT HT
+ 1183 93 1033 1032 1034 # HT OT HT
+ 1184 93 1036 1035 1037 # HT OT HT
+ 1185 93 1039 1038 1040 # HT OT HT
+ 1186 93 1042 1041 1043 # HT OT HT
+ 1187 93 1045 1044 1046 # HT OT HT
+ 1188 93 1048 1047 1049 # HT OT HT
+ 1189 93 1051 1050 1052 # HT OT HT
+ 1190 93 1054 1053 1055 # HT OT HT
+ 1191 93 1057 1056 1058 # HT OT HT
+ 1192 93 1060 1059 1061 # HT OT HT
+ 1193 93 1064 1063 1065 # HT OT HT
+ 1194 93 1067 1066 1068 # HT OT HT
+ 1195 93 1070 1069 1071 # HT OT HT
+ 1196 93 1073 1072 1074 # HT OT HT
+ 1197 93 1076 1075 1077 # HT OT HT
+ 1198 93 1079 1078 1080 # HT OT HT
+ 1199 93 1082 1081 1083 # HT OT HT
+ 1200 93 1085 1084 1086 # HT OT HT
+ 1201 93 1088 1087 1089 # HT OT HT
+ 1202 93 1091 1090 1092 # HT OT HT
+ 1203 93 1094 1093 1095 # HT OT HT
+ 1204 93 1097 1096 1098 # HT OT HT
+ 1205 93 1100 1099 1101 # HT OT HT
+ 1206 93 1103 1102 1104 # HT OT HT
+ 1207 93 1106 1105 1107 # HT OT HT
+ 1208 93 1109 1108 1110 # HT OT HT
+ 1209 93 1112 1111 1113 # HT OT HT
+ 1210 93 1115 1114 1116 # HT OT HT
+ 1211 93 1118 1117 1119 # HT OT HT
+ 1212 93 1121 1120 1122 # HT OT HT
+ 1213 93 1124 1123 1125 # HT OT HT
+ 1214 93 1127 1126 1128 # HT OT HT
+ 1215 93 1130 1129 1131 # HT OT HT
+ 1216 93 1133 1132 1134 # HT OT HT
+ 1217 93 1136 1135 1137 # HT OT HT
+ 1218 93 1139 1138 1140 # HT OT HT
+ 1219 93 1142 1141 1143 # HT OT HT
+ 1220 93 1145 1144 1146 # HT OT HT
+ 1221 93 1148 1147 1149 # HT OT HT
+ 1222 93 1151 1150 1152 # HT OT HT
+ 1223 93 1154 1153 1155 # HT OT HT
+ 1224 93 1157 1156 1158 # HT OT HT
+ 1225 93 1160 1159 1161 # HT OT HT
+ 1226 93 1163 1162 1164 # HT OT HT
+ 1227 93 1166 1165 1167 # HT OT HT
+ 1228 93 1169 1168 1170 # HT OT HT
+ 1229 93 1172 1171 1173 # HT OT HT
+ 1230 93 1175 1174 1176 # HT OT HT
+ 1231 93 1178 1177 1179 # HT OT HT
+ 1232 93 1181 1180 1182 # HT OT HT
+ 1233 93 1184 1183 1185 # HT OT HT
+ 1234 93 1187 1186 1188 # HT OT HT
+ 1235 93 1190 1189 1191 # HT OT HT
+ 1236 93 1193 1192 1194 # HT OT HT
+ 1237 93 1196 1195 1197 # HT OT HT
+ 1238 93 1199 1198 1200 # HT OT HT
+ 1239 93 1202 1201 1203 # HT OT HT
+ 1240 93 1205 1204 1206 # HT OT HT
+ 1241 93 1208 1207 1209 # HT OT HT
+ 1242 93 1211 1210 1212 # HT OT HT
+ 1243 93 1214 1213 1215 # HT OT HT
+ 1244 93 1217 1216 1218 # HT OT HT
+ 1245 93 1220 1219 1221 # HT OT HT
+ 1246 93 1223 1222 1224 # HT OT HT
+ 1247 93 1226 1225 1227 # HT OT HT
+ 1248 93 1229 1228 1230 # HT OT HT
+ 1249 93 1232 1231 1233 # HT OT HT
+ 1250 93 1235 1234 1236 # HT OT HT
+ 1251 93 1238 1237 1239 # HT OT HT
+ 1252 93 1241 1240 1242 # HT OT HT
+ 1253 93 1244 1243 1245 # HT OT HT
+ 1254 93 1247 1246 1248 # HT OT HT
+ 1255 93 1250 1249 1251 # HT OT HT
+ 1256 93 1253 1252 1254 # HT OT HT
+ 1257 93 1256 1255 1257 # HT OT HT
+ 1258 93 1259 1258 1260 # HT OT HT
+ 1259 93 1262 1261 1263 # HT OT HT
+ 1260 93 1266 1265 1267 # HT OT HT
+ 1261 93 1269 1268 1270 # HT OT HT
+ 1262 93 1272 1271 1273 # HT OT HT
+ 1263 93 1275 1274 1276 # HT OT HT
+ 1264 93 1278 1277 1279 # HT OT HT
+ 1265 93 1281 1280 1282 # HT OT HT
+ 1266 93 1284 1283 1285 # HT OT HT
+ 1267 93 1287 1286 1288 # HT OT HT
+ 1268 93 1290 1289 1291 # HT OT HT
+ 1269 93 1293 1292 1294 # HT OT HT
+ 1270 93 1296 1295 1297 # HT OT HT
+ 1271 93 1299 1298 1300 # HT OT HT
+ 1272 93 1302 1301 1303 # HT OT HT
+ 1273 93 1305 1304 1306 # HT OT HT
+ 1274 93 1308 1307 1309 # HT OT HT
+ 1275 93 1311 1310 1312 # HT OT HT
+ 1276 93 1314 1313 1315 # HT OT HT
+ 1277 93 1317 1316 1318 # HT OT HT
+ 1278 93 1320 1319 1321 # HT OT HT
+ 1279 93 1323 1322 1324 # HT OT HT
+ 1280 93 1326 1325 1327 # HT OT HT
+ 1281 93 1329 1328 1330 # HT OT HT
+ 1282 93 1332 1331 1333 # HT OT HT
+ 1283 93 1335 1334 1336 # HT OT HT
+ 1284 93 1338 1337 1339 # HT OT HT
+ 1285 93 1341 1340 1342 # HT OT HT
+ 1286 93 1344 1343 1345 # HT OT HT
+ 1287 93 1347 1346 1348 # HT OT HT
+ 1288 93 1350 1349 1351 # HT OT HT
+ 1289 93 1353 1352 1354 # HT OT HT
+ 1290 93 1356 1355 1357 # HT OT HT
+ 1291 93 1359 1358 1360 # HT OT HT
+ 1292 93 1362 1361 1363 # HT OT HT
+ 1293 93 1365 1364 1366 # HT OT HT
+ 1294 93 1368 1367 1369 # HT OT HT
+ 1295 93 1371 1370 1372 # HT OT HT
+ 1296 93 1374 1373 1375 # HT OT HT
+ 1297 93 1377 1376 1378 # HT OT HT
+ 1298 93 1380 1379 1381 # HT OT HT
+ 1299 93 1383 1382 1384 # HT OT HT
+ 1300 93 1386 1385 1387 # HT OT HT
+ 1301 93 1389 1388 1390 # HT OT HT
+ 1302 93 1392 1391 1393 # HT OT HT
+ 1303 93 1395 1394 1396 # HT OT HT
+ 1304 93 1398 1397 1399 # HT OT HT
+ 1305 93 1401 1400 1402 # HT OT HT
+ 1306 93 1404 1403 1405 # HT OT HT
+ 1307 93 1407 1406 1408 # HT OT HT
+ 1308 93 1410 1409 1411 # HT OT HT
+ 1309 93 1413 1412 1414 # HT OT HT
+ 1310 93 1416 1415 1417 # HT OT HT
+ 1311 93 1419 1418 1420 # HT OT HT
+ 1312 93 1422 1421 1423 # HT OT HT
+ 1313 93 1425 1424 1426 # HT OT HT
+ 1314 93 1428 1427 1429 # HT OT HT
+ 1315 93 1431 1430 1432 # HT OT HT
+ 1316 93 1434 1433 1435 # HT OT HT
+ 1317 93 1437 1436 1438 # HT OT HT
+ 1318 93 1440 1439 1441 # HT OT HT
+ 1319 93 1443 1442 1444 # HT OT HT
+ 1320 93 1446 1445 1447 # HT OT HT
+ 1321 93 1449 1448 1450 # HT OT HT
+ 1322 93 1452 1451 1453 # HT OT HT
+ 1323 93 1455 1454 1456 # HT OT HT
+ 1324 93 1458 1457 1459 # HT OT HT
+ 1325 93 1461 1460 1462 # HT OT HT
+ 1326 93 1464 1463 1465 # HT OT HT
+ 1327 93 1467 1466 1468 # HT OT HT
+ 1328 93 1471 1470 1472 # HT OT HT
+ 1329 93 1474 1473 1475 # HT OT HT
+ 1330 93 1477 1476 1478 # HT OT HT
+ 1331 93 1480 1479 1481 # HT OT HT
+ 1332 93 1483 1482 1484 # HT OT HT
+ 1333 93 1486 1485 1487 # HT OT HT
+ 1334 93 1489 1488 1490 # HT OT HT
+ 1335 93 1492 1491 1493 # HT OT HT
+ 1336 93 1495 1494 1496 # HT OT HT
+ 1337 93 1498 1497 1499 # HT OT HT
+ 1338 93 1501 1500 1502 # HT OT HT
+ 1339 93 1504 1503 1505 # HT OT HT
+ 1340 93 1507 1506 1508 # HT OT HT
+ 1341 93 1510 1509 1511 # HT OT HT
+ 1342 93 1513 1512 1514 # HT OT HT
+ 1343 93 1516 1515 1517 # HT OT HT
+ 1344 93 1519 1518 1520 # HT OT HT
+ 1345 93 1522 1521 1523 # HT OT HT
+ 1346 93 1525 1524 1526 # HT OT HT
+ 1347 93 1528 1527 1529 # HT OT HT
+ 1348 93 1531 1530 1532 # HT OT HT
+ 1349 93 1534 1533 1535 # HT OT HT
+ 1350 93 1537 1536 1538 # HT OT HT
+ 1351 93 1540 1539 1541 # HT OT HT
+ 1352 93 1543 1542 1544 # HT OT HT
+ 1353 93 1546 1545 1547 # HT OT HT
+ 1354 93 1549 1548 1550 # HT OT HT
+ 1355 93 1552 1551 1553 # HT OT HT
+ 1356 93 1555 1554 1556 # HT OT HT
+ 1357 93 1558 1557 1559 # HT OT HT
+ 1358 93 1561 1560 1562 # HT OT HT
+ 1359 93 1564 1563 1565 # HT OT HT
+ 1360 93 1567 1566 1568 # HT OT HT
+ 1361 93 1570 1569 1571 # HT OT HT
+ 1362 93 1573 1572 1574 # HT OT HT
+ 1363 93 1576 1575 1577 # HT OT HT
+ 1364 93 1579 1578 1580 # HT OT HT
+ 1365 93 1582 1581 1583 # HT OT HT
+ 1366 93 1585 1584 1586 # HT OT HT
+ 1367 93 1588 1587 1589 # HT OT HT
+ 1368 93 1591 1590 1592 # HT OT HT
+ 1369 93 1594 1593 1595 # HT OT HT
+ 1370 93 1597 1596 1598 # HT OT HT
+ 1371 93 1600 1599 1601 # HT OT HT
+ 1372 93 1603 1602 1604 # HT OT HT
+ 1373 93 1606 1605 1607 # HT OT HT
+ 1374 93 1609 1608 1610 # HT OT HT
+ 1375 93 1612 1611 1613 # HT OT HT
+ 1376 93 1615 1614 1616 # HT OT HT
+ 1377 93 1618 1617 1619 # HT OT HT
+ 1378 93 1621 1620 1622 # HT OT HT
+ 1379 93 1624 1623 1625 # HT OT HT
+ 1380 93 1627 1626 1628 # HT OT HT
+ 1381 93 1630 1629 1631 # HT OT HT
+ 1382 93 1633 1632 1634 # HT OT HT
+ 1383 93 1636 1635 1637 # HT OT HT
+ 1384 93 1639 1638 1640 # HT OT HT
+ 1385 93 1642 1641 1643 # HT OT HT
+ 1386 93 1645 1644 1646 # HT OT HT
+ 1387 93 1648 1647 1649 # HT OT HT
+ 1388 93 1651 1650 1652 # HT OT HT
+ 1389 93 1654 1653 1655 # HT OT HT
+ 1390 93 1657 1656 1658 # HT OT HT
+ 1391 93 1660 1659 1661 # HT OT HT
+ 1392 93 1663 1662 1664 # HT OT HT
+ 1393 93 1666 1665 1667 # HT OT HT
+ 1394 93 1669 1668 1670 # HT OT HT
+ 1395 93 1672 1671 1673 # HT OT HT
+ 1396 93 1675 1674 1676 # HT OT HT
+ 1397 93 1678 1677 1679 # HT OT HT
+ 1398 93 1681 1680 1682 # HT OT HT
+ 1399 93 1684 1683 1685 # HT OT HT
+ 1400 93 1687 1686 1688 # HT OT HT
+ 1401 93 1690 1689 1691 # HT OT HT
+ 1402 93 1693 1692 1694 # HT OT HT
+ 1403 93 1696 1695 1697 # HT OT HT
+ 1404 93 1699 1698 1700 # HT OT HT
+ 1405 93 1702 1701 1703 # HT OT HT
+ 1406 93 1705 1704 1706 # HT OT HT
+ 1407 93 1708 1707 1709 # HT OT HT
+ 1408 93 1711 1710 1712 # HT OT HT
+ 1409 93 1714 1713 1715 # HT OT HT
+ 1410 93 1717 1716 1718 # HT OT HT
+ 1411 93 1720 1719 1721 # HT OT HT
+ 1412 93 1724 1723 1725 # HT OT HT
+ 1413 93 1727 1726 1728 # HT OT HT
+ 1414 93 1730 1729 1731 # HT OT HT
+ 1415 93 1733 1732 1734 # HT OT HT
+ 1416 93 1736 1735 1737 # HT OT HT
+ 1417 93 1739 1738 1740 # HT OT HT
+ 1418 93 1742 1741 1743 # HT OT HT
+ 1419 93 1745 1744 1746 # HT OT HT
+ 1420 93 1748 1747 1749 # HT OT HT
+ 1421 93 1751 1750 1752 # HT OT HT
+ 1422 93 1754 1753 1755 # HT OT HT
+ 1423 93 1757 1756 1758 # HT OT HT
+ 1424 93 1760 1759 1761 # HT OT HT
+ 1425 93 1763 1762 1764 # HT OT HT
+ 1426 93 1766 1765 1767 # HT OT HT
+ 1427 93 1769 1768 1770 # HT OT HT
+ 1428 93 1772 1771 1773 # HT OT HT
+ 1429 93 1775 1774 1776 # HT OT HT
+ 1430 93 1778 1777 1779 # HT OT HT
+ 1431 93 1781 1780 1782 # HT OT HT
+ 1432 93 1785 1784 1786 # HT OT HT
+ 1433 93 1788 1787 1789 # HT OT HT
+ 1434 93 1791 1790 1792 # HT OT HT
+ 1435 93 1794 1793 1795 # HT OT HT
+ 1436 93 1797 1796 1798 # HT OT HT
+ 1437 93 1800 1799 1801 # HT OT HT
+ 1438 93 1803 1802 1804 # HT OT HT
+ 1439 93 1806 1805 1807 # HT OT HT
+ 1440 93 1809 1808 1810 # HT OT HT
+ 1441 93 1813 1812 1814 # HT OT HT
+ 1442 93 1816 1815 1817 # HT OT HT
+ 1443 93 1819 1818 1820 # HT OT HT
+ 1444 93 1822 1821 1823 # HT OT HT
+ 1445 93 1825 1824 1826 # HT OT HT
+ 1446 93 1828 1827 1829 # HT OT HT
+ 1447 93 1831 1830 1832 # HT OT HT
+ 1448 93 1834 1833 1835 # HT OT HT
+ 1449 93 1837 1836 1838 # HT OT HT
+ 1450 93 1840 1839 1841 # HT OT HT
+ 1451 93 1843 1842 1844 # HT OT HT
+ 1452 93 1847 1846 1848 # HT OT HT
+ 1453 93 1850 1849 1851 # HT OT HT
+ 1454 93 1853 1852 1854 # HT OT HT
+ 1455 93 1856 1855 1857 # HT OT HT
+ 1456 93 1859 1858 1860 # HT OT HT
+ 1457 93 1862 1861 1863 # HT OT HT
+ 1458 93 1865 1864 1866 # HT OT HT
+ 1459 93 1868 1867 1869 # HT OT HT
+ 1460 93 1871 1870 1872 # HT OT HT
+ 1461 93 1874 1873 1875 # HT OT HT
+ 1462 93 1877 1876 1878 # HT OT HT
+ 1463 93 1880 1879 1881 # HT OT HT
+ 1464 93 1883 1882 1884 # HT OT HT
+ 1465 93 1886 1885 1887 # HT OT HT
+ 1466 93 1889 1888 1890 # HT OT HT
+ 1467 93 1892 1891 1893 # HT OT HT
+ 1468 93 1895 1894 1896 # HT OT HT
+ 1469 93 1898 1897 1899 # HT OT HT
+ 1470 93 1901 1900 1902 # HT OT HT
+ 1471 93 1904 1903 1905 # HT OT HT
+ 1472 93 1907 1906 1908 # HT OT HT
+ 1473 93 1910 1909 1911 # HT OT HT
+ 1474 93 1913 1912 1914 # HT OT HT
+ 1475 93 1917 1916 1918 # HT OT HT
+ 1476 93 1920 1919 1921 # HT OT HT
+ 1477 93 1923 1922 1924 # HT OT HT
+ 1478 93 1926 1925 1927 # HT OT HT
+ 1479 93 1929 1928 1930 # HT OT HT
+ 1480 93 1932 1931 1933 # HT OT HT
+ 1481 93 1936 1935 1937 # HT OT HT
+ 1482 93 1939 1938 1940 # HT OT HT
+ 1483 93 1942 1941 1943 # HT OT HT
+ 1484 93 1945 1944 1946 # HT OT HT
+ 1485 93 1948 1947 1949 # HT OT HT
+ 1486 93 1951 1950 1952 # HT OT HT
+ 1487 93 1954 1953 1955 # HT OT HT
+ 1488 93 1957 1956 1958 # HT OT HT
+ 1489 93 1960 1959 1961 # HT OT HT
+ 1490 93 1963 1962 1964 # HT OT HT
+ 1491 93 1967 1966 1968 # HT OT HT
+
+Dihedral Coeffs
+
+ 1 1 2 180 1 # CN1 CN3T CN3 HN3
+ 2 3 2 180 0.5 # CN1 CN3T CN3 NN2B
+ 3 0.46 3 0 1 # CN1 CN3T CN9 HN9
+ 4 0 2 180 1 # CN1 CN5G CN5 NN2B
+ 5 2 2 180 0.5 # CN1 CN5G CN5 NN3G
+ 6 2 2 180 1 # CN1 CN5G NN4 CN4
+ 7 0.6 2 180 0.5 # CN1 NN2 CN3 CN3
+ 8 4.6 2 180 1 # CN1 NN2 CN3 HN3
+ 9 1 3 0 1 # CN1 NN2 CN7B CN7B
+ 10 0 3 0 1 # CN1 NN2 CN7B HN7
+ 11 0 3 0 1 # CN1 NN2 CN7B ON6B
+ 12 4 2 180 1 # CN1 NN2G CN2 NN1
+ 13 0.2 2 180 0.5 # CN1 NN2G CN2 NN3G
+ 14 1.5 2 180 0.5 # CN1 NN2U CN1T NN2B
+ 15 0.9 2 180 1 # CN1 NN2U CN1T ON1
+ 16 6 2 180 0.5 # CN1 NN3 CN2 CN3
+ 17 2 2 180 1 # CN1 NN3 CN2 NN1
+ 18 1.8 2 180 0.5 # CN1T NN2B CN3 CN3T
+ 19 1 2 180 1 # CN1T NN2B CN3 HN3
+ 20 0.2 3 180 1 # CN1T NN2B CN7B CN7B
+ 21 0 3 0 1 # CN1T NN2B CN7B HN7
+ 22 0.7 3 0 1 # CN1T NN2B CN7B ON6B
+ 23 0.8 1 180 0 # CN1T NN2B CN7B ON6B
+ 24 0.9 2 180 0.5 # CN1T NN2U CN1 CN3T
+ 25 0.9 2 180 1 # CN1T NN2U CN1 ON1
+ 26 4.6 2 180 1 # CN2 CN3 CN3 HN3
+ 27 6 2 180 0.5 # CN2 CN3 CN3 NN2
+ 28 7 2 180 1 # CN2 CN5 CN5 NN2
+ 29 2 2 180 0.5 # CN2 CN5 CN5 NN3A
+ 30 2 2 180 1 # CN2 CN5 NN4 CN4
+ 31 0.2 2 180 0.5 # CN2 NN2G CN1 CN5G
+ 32 14 2 180 1 # CN2 NN2G CN1 ON1
+ 33 0.6 2 180 0.5 # CN2 NN3 CN1 NN2
+ 34 1.6 2 180 1 # CN2 NN3 CN1 ON1C
+ 35 8.5 2 180 1 # CN2 NN3A CN4 HN3
+ 36 1.8 2 180 0.5 # CN2 NN3A CN4 NN3A
+ 37 0.2 2 180 0.5 # CN2 NN3G CN5 CN5G
+ 38 2 2 180 1 # CN2 NN3G CN5 NN2B
+ 39 1 2 180 1 # CN3 CN2 NN1 HN1
+ 40 2 2 180 1 # CN3 CN3 CN2 NN1
+ 41 0.6 2 180 0.5 # CN3 CN3 CN2 NN3
+ 42 11 2 180 1 # CN3 CN3 NN2 CN7B
+ 43 1.8 2 180 0.5 # CN3 CN3T CN1 NN2U
+ 44 1 2 180 1 # CN3 CN3T CN1 ON1
+ 45 0.46 3 0 1 # CN3 CN3T CN9 HN9
+ 46 0.6 2 180 0.5 # CN3 NN2 CN1 NN3
+ 47 1.6 2 180 1 # CN3 NN2 CN1 ON1C
+ 48 0 3 180 1 # CN3 NN2 CN7B CN7B
+ 49 0.195 3 0 1 # CN3 NN2 CN7B HN7
+ 50 1 1 0 1 # CN3 NN2 CN7B ON6B
+ 51 1.5 2 180 0.5 # CN3 NN2B CN1T NN2U
+ 52 0.9 2 180 1 # CN3 NN2B CN1T ON1
+ 53 0 3 180 1 # CN3 NN2B CN7B CN7B
+ 54 0.195 3 0 1 # CN3 NN2B CN7B HN7
+ 55 0.9 1 0 1 # CN3 NN2B CN7B ON6B
+ 56 4.8 2 180 1 # CN3T CN1 NN2U HN2
+ 57 11 2 180 1 # CN3T CN3 NN2B CN7B
+ 58 6 2 180 0 # CN4 NN2 CN5 CN5
+ 59 2 2 180 1 # CN4 NN2 CN5 NN3A
+ 60 0 3 180 1 # CN4 NN2 CN7B CN7B
+ 61 0.195 3 0 1 # CN4 NN2 CN7B HN7
+ 62 1.1 1 0 1 # CN4 NN2 CN7B ON6B
+ 63 6 2 180 0 # CN4 NN2B CN5 CN5G
+ 64 2 2 180 1 # CN4 NN2B CN5 NN3G
+ 65 0 3 180 1 # CN4 NN2B CN7B CN7B
+ 66 0.195 3 0 1 # CN4 NN2B CN7B HN7
+ 67 1.4 1 0 1 # CN4 NN2B CN7B ON6B
+ 68 10 2 180 0.5 # CN4 NN3A CN2 CN5
+ 69 4 2 180 1 # CN4 NN3A CN2 NN1
+ 70 1.8 2 180 0.5 # CN4 NN3A CN5 CN5
+ 71 2 2 180 1 # CN4 NN3A CN5 NN2
+ 72 6 2 180 0 # CN4 NN4 CN5 CN5
+ 73 6 2 180 0 # CN4 NN4 CN5G CN5
+ 74 0.5 2 180 1 # CN5 CN2 NN1 HN1
+ 75 4 2 180 1 # CN5 CN5 CN2 NN1
+ 76 1.8 2 180 0.5 # CN5 CN5 CN2 NN3A
+ 77 11 2 180 1 # CN5 CN5 NN2 CN7B
+ 78 0.2 2 180 0.5 # CN5 CN5G CN1 NN2G
+ 79 14 2 180 1 # CN5 CN5G CN1 ON1
+ 80 5.2 2 180 1 # CN5 NN2 CN4 HN3
+ 81 6 2 180 0 # CN5 NN2 CN4 NN4
+ 82 0.3 3 0 1 # CN5 NN2 CN7B CN7B
+ 83 0 3 0 1 # CN5 NN2 CN7B HN7
+ 84 1.1 1 180 1 # CN5 NN2 CN7B ON6B
+ 85 5.6 2 180 1 # CN5 NN2B CN4 HN3
+ 86 6 2 180 0 # CN5 NN2B CN4 NN4
+ 87 0 3 0 1 # CN5 NN2B CN7B CN7B
+ 88 0 3 0 1 # CN5 NN2B CN7B HN7
+ 89 0.2 3 0 1 # CN5 NN2B CN7B ON6B
+ 90 1.1 1 180 0 # CN5 NN2B CN7B ON6B
+ 91 8.5 2 180 1 # CN5 NN3A CN4 HN3
+ 92 2 2 180 0.5 # CN5 NN3A CN4 NN3A
+ 93 4 2 180 1 # CN5 NN3G CN2 NN1
+ 94 2 2 180 0.5 # CN5 NN3G CN2 NN2G
+ 95 5.2 2 180 1 # CN5 NN4 CN4 HN3
+ 96 14 2 180 0 # CN5 NN4 CN4 NN2
+ 97 3.6 2 180 1 # CN5G CN1 NN2G HN2
+ 98 11 2 180 1 # CN5G CN5 NN2B CN7B
+ 99 5.6 2 180 1 # CN5G NN4 CN4 HN3
+ 100 16 2 180 0 # CN5G NN4 CN4 NN2B
+ 101 0 6 0 0 # CN7 CN7 CN7B CN7B
+ 102 0.195 3 0 1 # CN7 CN7 CN7B HN7
+ 103 0 3 0 1 # CN7 CN7 CN7B ON5
+ 104 0.195 3 0 1 # CN7 CN7 CN8B HN8
+ 105 0.2 4 180 1 # CN7 CN7 CN8B ON2
+ 106 0.8 3 180 0 # CN7 CN7 CN8B ON2
+ 107 0.4 2 0 0 # CN7 CN7 CN8B ON2
+ 108 2.5 1 180 0 # CN7 CN7 CN8B ON2
+ 109 0.6 5 0 1 # CN7 CN7 ON2 P
+ 110 0.2 4 0 0 # CN7 CN7 ON2 P
+ 111 0 3 180 0 # CN7 CN7 ON2 P
+ 112 0.4 2 0 0 # CN7 CN7 ON2 P
+ 113 1.9 1 180 0 # CN7 CN7 ON2 P
+ 114 0 6 180 0 # CN7 CN7 ON6B CN7B
+ 115 0.195 3 0 1 # CN7 CN7B CN7B HN7
+ 116 0 3 0 1 # CN7 CN7B CN7B NN2
+ 117 0 3 0 1 # CN7 CN7B CN7B NN2B
+ 118 0.4 6 0 0 # CN7 CN7B CN7B ON6B
+ 119 0.3 3 0 1 # CN7 CN7B ON5 HN5
+ 120 0 1 0 0 # CN7 CN7B ON5 HN5
+ 121 0.2 1 120 1 # CN7 CN8B ON2 P
+ 122 1.2 1 180 1 # CN7 ON2 P ON2
+ 123 0.1 2 180 0 # CN7 ON2 P ON2
+ 124 0.1 3 180 0 # CN7 ON2 P ON2
+ 125 0 6 0 0 # CN7 ON2 P ON2
+ 126 0.1 3 0 1 # CN7 ON2 P ON3
+ 127 0 6 0 0 # CN7 ON6B CN7B CN7B
+ 128 0 3 0 1 # CN7 ON6B CN7B HN7
+ 129 0 3 0 1 # CN7 ON6B CN7B NN2
+ 130 0 3 0 1 # CN7 ON6B CN7B NN2B
+ 131 0.2 4 180 1 # CN7B CN7 CN7 CN8B
+ 132 0.195 3 0 1 # CN7B CN7 CN7 HN7
+ 133 0 3 0 0 # CN7B CN7 CN7 ON6B
+ 134 2.5 1 180 1 # CN7B CN7 ON2 P
+ 135 0.195 3 0 1 # CN7B CN7B CN7 HN7
+ 136 0.6 6 0 1 # CN7B CN7B CN7 ON2
+ 137 0 5 0 0 # CN7B CN7B CN7 ON2
+ 138 1.6 3 180 0 # CN7B CN7B CN7 ON2
+ 139 0 6 180 1 # CN7B CN7B ON5 HN5
+ 140 0.8 3 0 0 # CN7B CN7B ON5 HN5
+ 141 0 2 180 0 # CN7B CN7B ON5 HN5
+ 142 0 1 180 0 # CN7B CN7B ON5 HN5
+ 143 11 2 180 1 # CN7B NN2 CN1 NN3
+ 144 11 2 180 1 # CN7B NN2 CN1 ON1C
+ 145 0.3 2 180 1 # CN7B NN2 CN3 HN3
+ 146 0.3 2 180 1 # CN7B NN2 CN4 HN3
+ 147 11 2 180 1 # CN7B NN2 CN4 NN4
+ 148 1.5 2 180 1 # CN7B NN2 CN5 NN3A
+ 149 11 2 180 1 # CN7B NN2B CN1T NN2U
+ 150 11 2 180 1 # CN7B NN2B CN1T ON1
+ 151 0.3 2 180 1 # CN7B NN2B CN3 HN3
+ 152 0.3 2 180 1 # CN7B NN2B CN4 HN3
+ 153 11 2 180 1 # CN7B NN2B CN4 NN4
+ 154 11 2 180 1 # CN7B NN2B CN5 NN3G
+ 155 2 3 0 1 # CN7B ON6B CN7 CN8B
+ 156 0.195 3 0 1 # CN7B ON6B CN7 HN7
+ 157 0.195 3 0 1 # CN8B CN7 CN7 HN7
+ 158 0.2 4 0 1 # CN8B CN7 CN7 ON2
+ 159 0.8 3 180 0 # CN8B CN7 CN7 ON2
+ 160 1.2 1 180 1 # CN8B ON2 P ON2
+ 161 0.1 2 180 0 # CN8B ON2 P ON2
+ 162 0.1 3 180 0 # CN8B ON2 P ON2
+ 163 0 6 0 0 # CN8B ON2 P ON2
+ 164 0.1 3 0 1 # CN8B ON2 P ON3
+ 165 1 2 180 1 # CN9 CN3T CN1 NN2U
+ 166 1 2 180 1 # CN9 CN3T CN1 ON1
+ 167 1 2 180 1 # CN9 CN3T CN3 HN3
+ 168 5.6 2 180 1 # CN9 CN3T CN3 NN2B
+ 169 1.2 2 180 1 # HN1 NN1 CN2 NN2G
+ 170 1 2 180 1 # HN1 NN1 CN2 NN3
+ 171 0.5 2 180 1 # HN1 NN1 CN2 NN3A
+ 172 1.2 2 180 1 # HN1 NN1 CN2 NN3G
+ 173 0 2 180 1 # HN2 NN2G CN1 ON1
+ 174 0 2 180 1 # HN2 NN2G CN2 NN1
+ 175 3.6 2 180 1 # HN2 NN2G CN2 NN3G
+ 176 0 2 180 1 # HN2 NN2U CN1 ON1
+ 177 3.8 2 180 1 # HN2 NN2U CN1T NN2B
+ 178 0 2 180 1 # HN2 NN2U CN1T ON1
+ 179 2 2 180 1 # HN3 CN3 CN2 NN1
+ 180 3.4 2 180 1 # HN3 CN3 CN2 NN3
+ 181 3 2 180 1 # HN3 CN3 CN3 HN3
+ 182 3.4 2 180 1 # HN3 CN3 CN3 NN2
+ 183 0 3 0 1 # HN5 ON5 CN7B HN7
+ 184 0.195 3 0 1 # HN7 CN7 CN7 HN7
+ 185 0.195 3 0 1 # HN7 CN7 CN7 ON2
+ 186 0.195 3 180 1 # HN7 CN7 CN7 ON6B
+ 187 0.195 3 0 1 # HN7 CN7 CN7B HN7
+ 188 0.195 3 0 1 # HN7 CN7 CN7B ON5
+ 189 0.195 3 0 1 # HN7 CN7 CN8B HN8
+ 190 0.195 3 0 1 # HN7 CN7 CN8B ON2
+ 191 0 3 0 1 # HN7 CN7 ON2 P
+ 192 0.195 3 0 1 # HN7 CN7B CN7 ON2
+ 193 0 3 0 1 # HN7 CN7B CN7B HN7
+ 194 0 3 0 1 # HN7 CN7B CN7B NN2
+ 195 0 3 0 1 # HN7 CN7B CN7B NN2B
+ 196 0 3 0 1 # HN7 CN7B CN7B ON5
+ 197 0.195 3 0 1 # HN7 CN7B CN7B ON6B
+ 198 0.195 1 0 1 # HN8 CN8B CN7 ON6B
+ 199 0 3 0 1 # HN8 CN8B ON2 P
+ 200 0 2 180 1 # NN1 CN2 CN5 NN4
+ 201 14 2 180 0 # NN2 CN5 CN5 NN4
+ 202 0 3 0 1 # NN2 CN7B CN7B ON5
+ 203 10 2 180 0 # NN2B CN5 CN5G NN4
+ 204 0 3 0 1 # NN2B CN7B CN7B ON5
+ 205 2 2 180 1 # NN2G CN1 CN5G NN4
+ 206 2 2 180 1 # NN3A CN2 CN5 NN4
+ 207 7 2 180 1 # NN3A CN5 CN5 NN4
+ 208 10 2 180 1 # NN3G CN5 CN5G NN4
+ 209 0 2 180 1 # NN4 CN5G CN1 ON1
+ 210 0.4 6 0 1 # ON2 CN7 CN7 ON6B
+ 211 0 5 0 0 # ON2 CN7 CN7 ON6B
+ 212 0 4 180 0 # ON2 CN7 CN7 ON6B
+ 213 1.6 3 0 0 # ON2 CN7 CN7 ON6B
+ 214 0 3 0 1 # ON2 CN7 CN7B ON5
+ 215 3.4 1 180 1 # ON2 CN8B CN7 ON6B
+ 216 0 3 0 1 # ON5 CN7B CN7B ON6B
+
+Dihedrals
+
+ 1 121 1 4 5 8 # CN7 CN8B ON2 P
+ 2 199 1 4 5 6 # HN8 CN8B ON2 P
+ 3 199 1 4 5 7 # HN8 CN8B ON2 P
+ 4 164 2 1 4 5 # CN8B ON2 P ON3
+ 5 164 3 1 4 5 # CN8B ON2 P ON3
+ 6 215 4 5 8 10 # ON2 CN8B CN7 ON6B
+ 7 105 4 5 8 31 # CN7 CN7 CN8B ON2
+ 8 106 4 5 8 31 # CN7 CN7 CN8B ON2
+ 9 107 4 5 8 31 # CN7 CN7 CN8B ON2
+ 10 108 4 5 8 31 # CN7 CN7 CN8B ON2
+ 11 190 4 5 8 9 # HN7 CN7 CN8B ON2
+ 12 155 5 8 10 11 # CN7B ON6B CN7 CN8B
+ 13 131 5 8 31 27 # CN7B CN7 CN7 CN8B
+ 14 158 5 8 31 33 # CN8B CN7 CN7 ON2
+ 15 159 5 8 31 33 # CN8B CN7 CN7 ON2
+ 16 157 5 8 31 32 # CN8B CN7 CN7 HN7
+ 17 198 6 5 8 10 # HN8 CN8B CN7 ON6B
+ 18 104 6 5 8 31 # CN7 CN7 CN8B HN8
+ 19 189 6 5 8 9 # HN7 CN7 CN8B HN8
+ 20 198 7 5 8 10 # HN8 CN8B CN7 ON6B
+ 21 104 7 5 8 31 # CN7 CN7 CN8B HN8
+ 22 189 7 5 8 9 # HN7 CN7 CN8B HN8
+ 23 103 8 31 27 29 # CN7 CN7 CN7B ON5
+ 24 102 8 31 27 28 # CN7 CN7 CN7B HN7
+ 25 109 8 31 33 34 # CN7 CN7 ON2 P
+ 26 110 8 31 33 34 # CN7 CN7 ON2 P
+ 27 112 8 31 33 34 # CN7 CN7 ON2 P
+ 28 113 8 31 33 34 # CN7 CN7 ON2 P
+ 29 129 8 10 11 13 # CN7 ON6B CN7B NN2
+ 30 128 8 10 11 12 # CN7 ON6B CN7B HN7
+ 31 156 9 8 10 11 # CN7B ON6B CN7 HN7
+ 32 132 9 8 31 27 # CN7B CN7 CN7 HN7
+ 33 185 9 8 31 33 # HN7 CN7 CN7 ON2
+ 34 184 9 8 31 32 # HN7 CN7 CN7 HN7
+ 35 84 10 11 13 22 # CN5 NN2 CN7B ON6B
+ 36 62 10 11 13 16 # CN4 NN2 CN7B ON6B
+ 37 118 10 11 27 31 # CN7 CN7B CN7B ON6B
+ 38 216 10 11 27 29 # ON5 CN7B CN7B ON6B
+ 39 197 10 11 27 28 # HN7 CN7B CN7B ON6B
+ 40 210 10 8 31 33 # ON2 CN7 CN7 ON6B
+ 41 213 10 8 31 33 # ON2 CN7 CN7 ON6B
+ 42 186 10 8 31 32 # HN7 CN7 CN7 ON6B
+ 43 136 11 27 31 33 # CN7B CN7B CN7 ON2
+ 44 138 11 27 31 33 # CN7B CN7B CN7 ON2
+ 45 135 11 27 31 32 # CN7B CN7B CN7 HN7
+ 46 139 11 27 29 30 # CN7B CN7B ON5 HN5
+ 47 140 11 27 29 30 # CN7B CN7B ON5 HN5
+ 48 148 11 13 22 21 # CN7B NN2 CN5 NN3A
+ 49 77 11 13 22 14 # CN5 CN5 NN2 CN7B
+ 50 146 11 13 16 17 # CN7B NN2 CN4 HN3
+ 51 147 11 13 16 15 # CN7B NN2 CN4 NN4
+ 52 83 12 11 13 22 # CN5 NN2 CN7B HN7
+ 53 61 12 11 13 16 # CN4 NN2 CN7B HN7
+ 54 115 12 11 27 31 # CN7 CN7B CN7B HN7
+ 55 196 12 11 27 29 # HN7 CN7B CN7B ON5
+ 56 193 12 11 27 28 # HN7 CN7B CN7B HN7
+ 57 71 13 22 21 19 # CN4 NN3A CN5 NN2
+ 58 28 13 22 14 23 # CN2 CN5 CN5 NN2
+ 59 201 13 22 14 15 # NN2 CN5 CN5 NN4
+ 60 96 13 16 15 14 # CN5 NN4 CN4 NN2
+ 61 116 13 11 27 31 # CN7 CN7B CN7B NN2
+ 62 202 13 11 27 29 # NN2 CN7B CN7B ON5
+ 63 194 13 11 27 28 # HN7 CN7B CN7B NN2
+ 64 74 14 23 24 25 # CN5 CN2 NN1 HN1
+ 65 74 14 23 24 26 # CN5 CN2 NN1 HN1
+ 66 68 14 23 18 19 # CN4 NN3A CN2 CN5
+ 67 58 14 22 13 16 # CN4 NN2 CN5 CN5
+ 68 70 14 22 21 19 # CN4 NN3A CN5 CN5
+ 69 95 14 15 16 17 # CN5 NN4 CN4 HN3
+ 70 81 15 16 13 22 # CN5 NN2 CN4 NN4
+ 71 200 15 14 23 24 # NN1 CN2 CN5 NN4
+ 72 206 15 14 23 18 # NN3A CN2 CN5 NN4
+ 73 207 15 14 22 21 # NN3A CN5 CN5 NN4
+ 74 30 16 15 14 23 # CN2 CN5 NN4 CN4
+ 75 72 16 15 14 22 # CN4 NN4 CN5 CN5
+ 76 60 16 13 11 27 # CN4 NN2 CN7B CN7B
+ 77 59 16 13 22 21 # CN4 NN2 CN5 NN3A
+ 78 80 17 16 13 22 # CN5 NN2 CN4 HN3
+ 79 171 18 23 24 25 # HN1 NN1 CN2 NN3A
+ 80 171 18 23 24 26 # HN1 NN1 CN2 NN3A
+ 81 76 18 23 14 22 # CN5 CN5 CN2 NN3A
+ 82 92 18 19 21 22 # CN5 NN3A CN4 NN3A
+ 83 69 19 18 23 24 # CN4 NN3A CN2 NN1
+ 84 35 20 19 18 23 # CN2 NN3A CN4 HN3
+ 85 91 20 19 21 22 # CN5 NN3A CN4 HN3
+ 86 29 21 22 14 23 # CN2 CN5 CN5 NN3A
+ 87 36 21 19 18 23 # CN2 NN3A CN4 NN3A
+ 88 75 22 14 23 24 # CN5 CN5 CN2 NN1
+ 89 82 22 13 11 27 # CN5 NN2 CN7B CN7B
+ 90 134 27 31 33 34 # CN7B CN7 ON2 P
+ 91 192 28 27 31 33 # HN7 CN7B CN7 ON2
+ 92 187 28 27 31 32 # HN7 CN7 CN7B HN7
+ 93 183 28 27 29 30 # HN5 ON5 CN7B HN7
+ 94 214 29 27 31 33 # ON2 CN7 CN7B ON5
+ 95 188 29 27 31 32 # HN7 CN7 CN7B ON5
+ 96 119 30 29 27 31 # CN7 CN7B ON5 HN5
+ 97 126 31 33 34 35 # CN7 ON2 P ON3
+ 98 126 31 33 34 36 # CN7 ON2 P ON3
+ 99 122 31 33 34 37 # CN7 ON2 P ON2
+ 100 123 31 33 34 37 # CN7 ON2 P ON2
+ 101 124 31 33 34 37 # CN7 ON2 P ON2
+ 102 191 32 31 33 34 # HN7 CN7 ON2 P
+ 103 160 33 34 37 38 # CN8B ON2 P ON2
+ 104 161 33 34 37 38 # CN8B ON2 P ON2
+ 105 162 33 34 37 38 # CN8B ON2 P ON2
+ 106 121 34 37 38 41 # CN7 CN8B ON2 P
+ 107 199 34 37 38 39 # HN8 CN8B ON2 P
+ 108 199 34 37 38 40 # HN8 CN8B ON2 P
+ 109 164 35 34 37 38 # CN8B ON2 P ON3
+ 110 164 36 34 37 38 # CN8B ON2 P ON3
+ 111 215 37 38 41 43 # ON2 CN8B CN7 ON6B
+ 112 105 37 38 41 64 # CN7 CN7 CN8B ON2
+ 113 106 37 38 41 64 # CN7 CN7 CN8B ON2
+ 114 107 37 38 41 64 # CN7 CN7 CN8B ON2
+ 115 108 37 38 41 64 # CN7 CN7 CN8B ON2
+ 116 190 37 38 41 42 # HN7 CN7 CN8B ON2
+ 117 155 38 41 43 44 # CN7B ON6B CN7 CN8B
+ 118 131 38 41 64 60 # CN7B CN7 CN7 CN8B
+ 119 158 38 41 64 66 # CN8B CN7 CN7 ON2
+ 120 159 38 41 64 66 # CN8B CN7 CN7 ON2
+ 121 157 38 41 64 65 # CN8B CN7 CN7 HN7
+ 122 198 39 38 41 43 # HN8 CN8B CN7 ON6B
+ 123 104 39 38 41 64 # CN7 CN7 CN8B HN8
+ 124 189 39 38 41 42 # HN7 CN7 CN8B HN8
+ 125 198 40 38 41 43 # HN8 CN8B CN7 ON6B
+ 126 104 40 38 41 64 # CN7 CN7 CN8B HN8
+ 127 189 40 38 41 42 # HN7 CN7 CN8B HN8
+ 128 103 41 64 60 62 # CN7 CN7 CN7B ON5
+ 129 102 41 64 60 61 # CN7 CN7 CN7B HN7
+ 130 109 41 64 66 67 # CN7 CN7 ON2 P
+ 131 110 41 64 66 67 # CN7 CN7 ON2 P
+ 132 112 41 64 66 67 # CN7 CN7 ON2 P
+ 133 113 41 64 66 67 # CN7 CN7 ON2 P
+ 134 130 41 43 44 46 # CN7 ON6B CN7B NN2B
+ 135 128 41 43 44 45 # CN7 ON6B CN7B HN7
+ 136 156 42 41 43 44 # CN7B ON6B CN7 HN7
+ 137 132 42 41 64 60 # CN7B CN7 CN7 HN7
+ 138 185 42 41 64 66 # HN7 CN7 CN7 ON2
+ 139 184 42 41 64 65 # HN7 CN7 CN7 HN7
+ 140 22 43 44 46 49 # CN1T NN2B CN7B ON6B
+ 141 23 43 44 46 49 # CN1T NN2B CN7B ON6B
+ 142 55 43 44 46 47 # CN3 NN2B CN7B ON6B
+ 143 118 43 44 60 64 # CN7 CN7B CN7B ON6B
+ 144 216 43 44 60 62 # ON5 CN7B CN7B ON6B
+ 145 197 43 44 60 61 # HN7 CN7B CN7B ON6B
+ 146 210 43 41 64 66 # ON2 CN7 CN7 ON6B
+ 147 213 43 41 64 66 # ON2 CN7 CN7 ON6B
+ 148 186 43 41 64 65 # HN7 CN7 CN7 ON6B
+ 149 136 44 60 64 66 # CN7B CN7B CN7 ON2
+ 150 138 44 60 64 66 # CN7B CN7B CN7 ON2
+ 151 135 44 60 64 65 # CN7B CN7B CN7 HN7
+ 152 139 44 60 62 63 # CN7B CN7B ON5 HN5
+ 153 140 44 60 62 63 # CN7B CN7B ON5 HN5
+ 154 149 44 46 49 51 # CN7B NN2B CN1T NN2U
+ 155 150 44 46 49 50 # CN7B NN2B CN1T ON1
+ 156 151 44 46 47 48 # CN7B NN2B CN3 HN3
+ 157 57 44 46 47 55 # CN3T CN3 NN2B CN7B
+ 158 21 45 44 46 49 # CN1T NN2B CN7B HN7
+ 159 54 45 44 46 47 # CN3 NN2B CN7B HN7
+ 160 115 45 44 60 64 # CN7 CN7B CN7B HN7
+ 161 196 45 44 60 62 # HN7 CN7B CN7B ON5
+ 162 193 45 44 60 61 # HN7 CN7B CN7B HN7
+ 163 177 46 49 51 52 # HN2 NN2U CN1T NN2B
+ 164 14 46 49 51 53 # CN1 NN2U CN1T NN2B
+ 165 2 46 47 55 53 # CN1 CN3T CN3 NN2B
+ 166 168 46 47 55 56 # CN9 CN3T CN3 NN2B
+ 167 117 46 44 60 64 # CN7 CN7B CN7B NN2B
+ 168 204 46 44 60 62 # NN2B CN7B CN7B ON5
+ 169 195 46 44 60 61 # HN7 CN7B CN7B NN2B
+ 170 43 47 55 53 51 # CN3 CN3T CN1 NN2U
+ 171 44 47 55 53 54 # CN3 CN3T CN1 ON1
+ 172 45 47 55 56 57 # CN3 CN3T CN9 HN9
+ 173 45 47 55 56 58 # CN3 CN3T CN9 HN9
+ 174 45 47 55 56 59 # CN3 CN3T CN9 HN9
+ 175 53 47 46 44 60 # CN3 NN2B CN7B CN7B
+ 176 51 47 46 49 51 # CN3 NN2B CN1T NN2U
+ 177 52 47 46 49 50 # CN3 NN2B CN1T ON1
+ 178 19 48 47 46 49 # CN1T NN2B CN3 HN3
+ 179 1 48 47 55 53 # CN1 CN3T CN3 HN3
+ 180 167 48 47 55 56 # CN9 CN3T CN3 HN3
+ 181 24 49 51 53 55 # CN1T NN2U CN1 CN3T
+ 182 25 49 51 53 54 # CN1T NN2U CN1 ON1
+ 183 20 49 46 44 60 # CN1T NN2B CN7B CN7B
+ 184 18 49 46 47 55 # CN1T NN2B CN3 CN3T
+ 185 178 50 49 51 52 # HN2 NN2U CN1T ON1
+ 186 15 50 49 51 53 # CN1 NN2U CN1T ON1
+ 187 165 51 53 55 56 # CN9 CN3T CN1 NN2U
+ 188 56 52 51 53 55 # CN3T CN1 NN2U HN2
+ 189 176 52 51 53 54 # HN2 NN2U CN1 ON1
+ 190 3 53 55 56 57 # CN1 CN3T CN9 HN9
+ 191 3 53 55 56 58 # CN1 CN3T CN9 HN9
+ 192 3 53 55 56 59 # CN1 CN3T CN9 HN9
+ 193 166 54 53 55 56 # CN9 CN3T CN1 ON1
+ 194 134 60 64 66 67 # CN7B CN7 ON2 P
+ 195 192 61 60 64 66 # HN7 CN7B CN7 ON2
+ 196 187 61 60 64 65 # HN7 CN7 CN7B HN7
+ 197 183 61 60 62 63 # HN5 ON5 CN7B HN7
+ 198 214 62 60 64 66 # ON2 CN7 CN7B ON5
+ 199 188 62 60 64 65 # HN7 CN7 CN7B ON5
+ 200 119 63 62 60 64 # CN7 CN7B ON5 HN5
+ 201 126 64 66 67 68 # CN7 ON2 P ON3
+ 202 126 64 66 67 69 # CN7 ON2 P ON3
+ 203 122 64 66 67 70 # CN7 ON2 P ON2
+ 204 123 64 66 67 70 # CN7 ON2 P ON2
+ 205 124 64 66 67 70 # CN7 ON2 P ON2
+ 206 191 65 64 66 67 # HN7 CN7 ON2 P
+ 207 160 66 67 70 71 # CN8B ON2 P ON2
+ 208 161 66 67 70 71 # CN8B ON2 P ON2
+ 209 162 66 67 70 71 # CN8B ON2 P ON2
+ 210 121 67 70 71 74 # CN7 CN8B ON2 P
+ 211 199 67 70 71 72 # HN8 CN8B ON2 P
+ 212 199 67 70 71 73 # HN8 CN8B ON2 P
+ 213 164 68 67 70 71 # CN8B ON2 P ON3
+ 214 164 69 67 70 71 # CN8B ON2 P ON3
+ 215 215 70 71 74 76 # ON2 CN8B CN7 ON6B
+ 216 105 70 71 74 95 # CN7 CN7 CN8B ON2
+ 217 106 70 71 74 95 # CN7 CN7 CN8B ON2
+ 218 107 70 71 74 95 # CN7 CN7 CN8B ON2
+ 219 108 70 71 74 95 # CN7 CN7 CN8B ON2
+ 220 190 70 71 74 75 # HN7 CN7 CN8B ON2
+ 221 155 71 74 76 77 # CN7B ON6B CN7 CN8B
+ 222 131 71 74 95 91 # CN7B CN7 CN7 CN8B
+ 223 158 71 74 95 97 # CN8B CN7 CN7 ON2
+ 224 159 71 74 95 97 # CN8B CN7 CN7 ON2
+ 225 157 71 74 95 96 # CN8B CN7 CN7 HN7
+ 226 198 72 71 74 76 # HN8 CN8B CN7 ON6B
+ 227 104 72 71 74 95 # CN7 CN7 CN8B HN8
+ 228 189 72 71 74 75 # HN7 CN7 CN8B HN8
+ 229 198 73 71 74 76 # HN8 CN8B CN7 ON6B
+ 230 104 73 71 74 95 # CN7 CN7 CN8B HN8
+ 231 189 73 71 74 75 # HN7 CN7 CN8B HN8
+ 232 103 74 95 91 93 # CN7 CN7 CN7B ON5
+ 233 102 74 95 91 92 # CN7 CN7 CN7B HN7
+ 234 109 74 95 97 98 # CN7 CN7 ON2 P
+ 235 110 74 95 97 98 # CN7 CN7 ON2 P
+ 236 112 74 95 97 98 # CN7 CN7 ON2 P
+ 237 113 74 95 97 98 # CN7 CN7 ON2 P
+ 238 129 74 76 77 79 # CN7 ON6B CN7B NN2
+ 239 128 74 76 77 78 # CN7 ON6B CN7B HN7
+ 240 156 75 74 76 77 # CN7B ON6B CN7 HN7
+ 241 132 75 74 95 91 # CN7B CN7 CN7 HN7
+ 242 185 75 74 95 97 # HN7 CN7 CN7 ON2
+ 243 184 75 74 95 96 # HN7 CN7 CN7 HN7
+ 244 11 76 77 79 84 # CN1 NN2 CN7B ON6B
+ 245 50 76 77 79 80 # CN3 NN2 CN7B ON6B
+ 246 118 76 77 91 95 # CN7 CN7B CN7B ON6B
+ 247 216 76 77 91 93 # ON5 CN7B CN7B ON6B
+ 248 197 76 77 91 92 # HN7 CN7B CN7B ON6B
+ 249 210 76 74 95 97 # ON2 CN7 CN7 ON6B
+ 250 213 76 74 95 97 # ON2 CN7 CN7 ON6B
+ 251 186 76 74 95 96 # HN7 CN7 CN7 ON6B
+ 252 136 77 91 95 97 # CN7B CN7B CN7 ON2
+ 253 138 77 91 95 97 # CN7B CN7B CN7 ON2
+ 254 135 77 91 95 96 # CN7B CN7B CN7 HN7
+ 255 139 77 91 93 94 # CN7B CN7B ON5 HN5
+ 256 140 77 91 93 94 # CN7B CN7B ON5 HN5
+ 257 143 77 79 84 86 # CN7B NN2 CN1 NN3
+ 258 144 77 79 84 85 # CN7B NN2 CN1 ON1C
+ 259 145 77 79 80 81 # CN7B NN2 CN3 HN3
+ 260 42 77 79 80 82 # CN3 CN3 NN2 CN7B
+ 261 10 78 77 79 84 # CN1 NN2 CN7B HN7
+ 262 49 78 77 79 80 # CN3 NN2 CN7B HN7
+ 263 115 78 77 91 95 # CN7 CN7B CN7B HN7
+ 264 196 78 77 91 93 # HN7 CN7B CN7B ON5
+ 265 193 78 77 91 92 # HN7 CN7B CN7B HN7
+ 266 33 79 84 86 87 # CN2 NN3 CN1 NN2
+ 267 27 79 80 82 87 # CN2 CN3 CN3 NN2
+ 268 182 79 80 82 83 # HN3 CN3 CN3 NN2
+ 269 116 79 77 91 95 # CN7 CN7B CN7B NN2
+ 270 202 79 77 91 93 # NN2 CN7B CN7B ON5
+ 271 194 79 77 91 92 # HN7 CN7B CN7B NN2
+ 272 40 80 82 87 88 # CN3 CN3 CN2 NN1
+ 273 41 80 82 87 86 # CN3 CN3 CN2 NN3
+ 274 48 80 79 77 91 # CN3 NN2 CN7B CN7B
+ 275 46 80 79 84 86 # CN3 NN2 CN1 NN3
+ 276 47 80 79 84 85 # CN3 NN2 CN1 ON1C
+ 277 8 81 80 79 84 # CN1 NN2 CN3 HN3
+ 278 26 81 80 82 87 # CN2 CN3 CN3 HN3
+ 279 181 81 80 82 83 # HN3 CN3 CN3 HN3
+ 280 39 82 87 88 89 # CN3 CN2 NN1 HN1
+ 281 39 82 87 88 90 # CN3 CN2 NN1 HN1
+ 282 16 82 87 86 84 # CN1 NN3 CN2 CN3
+ 283 7 82 80 79 84 # CN1 NN2 CN3 CN3
+ 284 179 83 82 87 88 # HN3 CN3 CN2 NN1
+ 285 180 83 82 87 86 # HN3 CN3 CN2 NN3
+ 286 17 84 86 87 88 # CN1 NN3 CN2 NN1
+ 287 9 84 79 77 91 # CN1 NN2 CN7B CN7B
+ 288 34 85 84 86 87 # CN2 NN3 CN1 ON1C
+ 289 170 86 87 88 89 # HN1 NN1 CN2 NN3
+ 290 170 86 87 88 90 # HN1 NN1 CN2 NN3
+ 291 134 91 95 97 98 # CN7B CN7 ON2 P
+ 292 192 92 91 95 97 # HN7 CN7B CN7 ON2
+ 293 187 92 91 95 96 # HN7 CN7 CN7B HN7
+ 294 183 92 91 93 94 # HN5 ON5 CN7B HN7
+ 295 214 93 91 95 97 # ON2 CN7 CN7B ON5
+ 296 188 93 91 95 96 # HN7 CN7 CN7B ON5
+ 297 119 94 93 91 95 # CN7 CN7B ON5 HN5
+ 298 126 95 97 98 99 # CN7 ON2 P ON3
+ 299 126 95 97 98 100 # CN7 ON2 P ON3
+ 300 122 95 97 98 101 # CN7 ON2 P ON2
+ 301 123 95 97 98 101 # CN7 ON2 P ON2
+ 302 124 95 97 98 101 # CN7 ON2 P ON2
+ 303 191 96 95 97 98 # HN7 CN7 ON2 P
+ 304 160 97 98 101 102 # CN8B ON2 P ON2
+ 305 161 97 98 101 102 # CN8B ON2 P ON2
+ 306 162 97 98 101 102 # CN8B ON2 P ON2
+ 307 121 98 101 102 105 # CN7 CN8B ON2 P
+ 308 199 98 101 102 103 # HN8 CN8B ON2 P
+ 309 199 98 101 102 104 # HN8 CN8B ON2 P
+ 310 164 99 98 101 102 # CN8B ON2 P ON3
+ 311 164 100 98 101 102 # CN8B ON2 P ON3
+ 312 215 101 102 105 107 # ON2 CN8B CN7 ON6B
+ 313 105 101 102 105 126 # CN7 CN7 CN8B ON2
+ 314 106 101 102 105 126 # CN7 CN7 CN8B ON2
+ 315 107 101 102 105 126 # CN7 CN7 CN8B ON2
+ 316 108 101 102 105 126 # CN7 CN7 CN8B ON2
+ 317 190 101 102 105 106 # HN7 CN7 CN8B ON2
+ 318 155 102 105 107 108 # CN7B ON6B CN7 CN8B
+ 319 131 102 105 126 122 # CN7B CN7 CN7 CN8B
+ 320 158 102 105 126 128 # CN8B CN7 CN7 ON2
+ 321 159 102 105 126 128 # CN8B CN7 CN7 ON2
+ 322 157 102 105 126 127 # CN8B CN7 CN7 HN7
+ 323 198 103 102 105 107 # HN8 CN8B CN7 ON6B
+ 324 104 103 102 105 126 # CN7 CN7 CN8B HN8
+ 325 189 103 102 105 106 # HN7 CN7 CN8B HN8
+ 326 198 104 102 105 107 # HN8 CN8B CN7 ON6B
+ 327 104 104 102 105 126 # CN7 CN7 CN8B HN8
+ 328 189 104 102 105 106 # HN7 CN7 CN8B HN8
+ 329 103 105 126 122 124 # CN7 CN7 CN7B ON5
+ 330 102 105 126 122 123 # CN7 CN7 CN7B HN7
+ 331 109 105 126 128 129 # CN7 CN7 ON2 P
+ 332 110 105 126 128 129 # CN7 CN7 ON2 P
+ 333 112 105 126 128 129 # CN7 CN7 ON2 P
+ 334 113 105 126 128 129 # CN7 CN7 ON2 P
+ 335 129 105 107 108 110 # CN7 ON6B CN7B NN2
+ 336 128 105 107 108 109 # CN7 ON6B CN7B HN7
+ 337 156 106 105 107 108 # CN7B ON6B CN7 HN7
+ 338 132 106 105 126 122 # CN7B CN7 CN7 HN7
+ 339 185 106 105 126 128 # HN7 CN7 CN7 ON2
+ 340 184 106 105 126 127 # HN7 CN7 CN7 HN7
+ 341 11 107 108 110 115 # CN1 NN2 CN7B ON6B
+ 342 50 107 108 110 111 # CN3 NN2 CN7B ON6B
+ 343 118 107 108 122 126 # CN7 CN7B CN7B ON6B
+ 344 216 107 108 122 124 # ON5 CN7B CN7B ON6B
+ 345 197 107 108 122 123 # HN7 CN7B CN7B ON6B
+ 346 210 107 105 126 128 # ON2 CN7 CN7 ON6B
+ 347 213 107 105 126 128 # ON2 CN7 CN7 ON6B
+ 348 186 107 105 126 127 # HN7 CN7 CN7 ON6B
+ 349 136 108 122 126 128 # CN7B CN7B CN7 ON2
+ 350 138 108 122 126 128 # CN7B CN7B CN7 ON2
+ 351 135 108 122 126 127 # CN7B CN7B CN7 HN7
+ 352 139 108 122 124 125 # CN7B CN7B ON5 HN5
+ 353 140 108 122 124 125 # CN7B CN7B ON5 HN5
+ 354 143 108 110 115 117 # CN7B NN2 CN1 NN3
+ 355 144 108 110 115 116 # CN7B NN2 CN1 ON1C
+ 356 145 108 110 111 112 # CN7B NN2 CN3 HN3
+ 357 42 108 110 111 113 # CN3 CN3 NN2 CN7B
+ 358 10 109 108 110 115 # CN1 NN2 CN7B HN7
+ 359 49 109 108 110 111 # CN3 NN2 CN7B HN7
+ 360 115 109 108 122 126 # CN7 CN7B CN7B HN7
+ 361 196 109 108 122 124 # HN7 CN7B CN7B ON5
+ 362 193 109 108 122 123 # HN7 CN7B CN7B HN7
+ 363 33 110 115 117 118 # CN2 NN3 CN1 NN2
+ 364 27 110 111 113 118 # CN2 CN3 CN3 NN2
+ 365 182 110 111 113 114 # HN3 CN3 CN3 NN2
+ 366 116 110 108 122 126 # CN7 CN7B CN7B NN2
+ 367 202 110 108 122 124 # NN2 CN7B CN7B ON5
+ 368 194 110 108 122 123 # HN7 CN7B CN7B NN2
+ 369 40 111 113 118 119 # CN3 CN3 CN2 NN1
+ 370 41 111 113 118 117 # CN3 CN3 CN2 NN3
+ 371 48 111 110 108 122 # CN3 NN2 CN7B CN7B
+ 372 46 111 110 115 117 # CN3 NN2 CN1 NN3
+ 373 47 111 110 115 116 # CN3 NN2 CN1 ON1C
+ 374 8 112 111 110 115 # CN1 NN2 CN3 HN3
+ 375 26 112 111 113 118 # CN2 CN3 CN3 HN3
+ 376 181 112 111 113 114 # HN3 CN3 CN3 HN3
+ 377 39 113 118 119 120 # CN3 CN2 NN1 HN1
+ 378 39 113 118 119 121 # CN3 CN2 NN1 HN1
+ 379 16 113 118 117 115 # CN1 NN3 CN2 CN3
+ 380 7 113 111 110 115 # CN1 NN2 CN3 CN3
+ 381 179 114 113 118 119 # HN3 CN3 CN2 NN1
+ 382 180 114 113 118 117 # HN3 CN3 CN2 NN3
+ 383 17 115 117 118 119 # CN1 NN3 CN2 NN1
+ 384 9 115 110 108 122 # CN1 NN2 CN7B CN7B
+ 385 34 116 115 117 118 # CN2 NN3 CN1 ON1C
+ 386 170 117 118 119 120 # HN1 NN1 CN2 NN3
+ 387 170 117 118 119 121 # HN1 NN1 CN2 NN3
+ 388 134 122 126 128 129 # CN7B CN7 ON2 P
+ 389 192 123 122 126 128 # HN7 CN7B CN7 ON2
+ 390 187 123 122 126 127 # HN7 CN7 CN7B HN7
+ 391 183 123 122 124 125 # HN5 ON5 CN7B HN7
+ 392 214 124 122 126 128 # ON2 CN7 CN7B ON5
+ 393 188 124 122 126 127 # HN7 CN7 CN7B ON5
+ 394 119 125 124 122 126 # CN7 CN7B ON5 HN5
+ 395 126 126 128 129 130 # CN7 ON2 P ON3
+ 396 126 126 128 129 131 # CN7 ON2 P ON3
+ 397 122 126 128 129 132 # CN7 ON2 P ON2
+ 398 123 126 128 129 132 # CN7 ON2 P ON2
+ 399 124 126 128 129 132 # CN7 ON2 P ON2
+ 400 191 127 126 128 129 # HN7 CN7 ON2 P
+ 401 160 128 129 132 133 # CN8B ON2 P ON2
+ 402 161 128 129 132 133 # CN8B ON2 P ON2
+ 403 162 128 129 132 133 # CN8B ON2 P ON2
+ 404 121 129 132 133 136 # CN7 CN8B ON2 P
+ 405 199 129 132 133 134 # HN8 CN8B ON2 P
+ 406 199 129 132 133 135 # HN8 CN8B ON2 P
+ 407 164 130 129 132 133 # CN8B ON2 P ON3
+ 408 164 131 129 132 133 # CN8B ON2 P ON3
+ 409 215 132 133 136 138 # ON2 CN8B CN7 ON6B
+ 410 105 132 133 136 159 # CN7 CN7 CN8B ON2
+ 411 106 132 133 136 159 # CN7 CN7 CN8B ON2
+ 412 107 132 133 136 159 # CN7 CN7 CN8B ON2
+ 413 108 132 133 136 159 # CN7 CN7 CN8B ON2
+ 414 190 132 133 136 137 # HN7 CN7 CN8B ON2
+ 415 155 133 136 138 139 # CN7B ON6B CN7 CN8B
+ 416 131 133 136 159 155 # CN7B CN7 CN7 CN8B
+ 417 158 133 136 159 161 # CN8B CN7 CN7 ON2
+ 418 159 133 136 159 161 # CN8B CN7 CN7 ON2
+ 419 157 133 136 159 160 # CN8B CN7 CN7 HN7
+ 420 198 134 133 136 138 # HN8 CN8B CN7 ON6B
+ 421 104 134 133 136 159 # CN7 CN7 CN8B HN8
+ 422 189 134 133 136 137 # HN7 CN7 CN8B HN8
+ 423 198 135 133 136 138 # HN8 CN8B CN7 ON6B
+ 424 104 135 133 136 159 # CN7 CN7 CN8B HN8
+ 425 189 135 133 136 137 # HN7 CN7 CN8B HN8
+ 426 103 136 159 155 157 # CN7 CN7 CN7B ON5
+ 427 102 136 159 155 156 # CN7 CN7 CN7B HN7
+ 428 109 136 159 161 162 # CN7 CN7 ON2 P
+ 429 110 136 159 161 162 # CN7 CN7 ON2 P
+ 430 112 136 159 161 162 # CN7 CN7 ON2 P
+ 431 113 136 159 161 162 # CN7 CN7 ON2 P
+ 432 130 136 138 139 141 # CN7 ON6B CN7B NN2B
+ 433 128 136 138 139 140 # CN7 ON6B CN7B HN7
+ 434 156 137 136 138 139 # CN7B ON6B CN7 HN7
+ 435 132 137 136 159 155 # CN7B CN7 CN7 HN7
+ 436 185 137 136 159 161 # HN7 CN7 CN7 ON2
+ 437 184 137 136 159 160 # HN7 CN7 CN7 HN7
+ 438 22 138 139 141 144 # CN1T NN2B CN7B ON6B
+ 439 23 138 139 141 144 # CN1T NN2B CN7B ON6B
+ 440 55 138 139 141 142 # CN3 NN2B CN7B ON6B
+ 441 118 138 139 155 159 # CN7 CN7B CN7B ON6B
+ 442 216 138 139 155 157 # ON5 CN7B CN7B ON6B
+ 443 197 138 139 155 156 # HN7 CN7B CN7B ON6B
+ 444 210 138 136 159 161 # ON2 CN7 CN7 ON6B
+ 445 213 138 136 159 161 # ON2 CN7 CN7 ON6B
+ 446 186 138 136 159 160 # HN7 CN7 CN7 ON6B
+ 447 136 139 155 159 161 # CN7B CN7B CN7 ON2
+ 448 138 139 155 159 161 # CN7B CN7B CN7 ON2
+ 449 135 139 155 159 160 # CN7B CN7B CN7 HN7
+ 450 139 139 155 157 158 # CN7B CN7B ON5 HN5
+ 451 140 139 155 157 158 # CN7B CN7B ON5 HN5
+ 452 149 139 141 144 146 # CN7B NN2B CN1T NN2U
+ 453 150 139 141 144 145 # CN7B NN2B CN1T ON1
+ 454 151 139 141 142 143 # CN7B NN2B CN3 HN3
+ 455 57 139 141 142 150 # CN3T CN3 NN2B CN7B
+ 456 21 140 139 141 144 # CN1T NN2B CN7B HN7
+ 457 54 140 139 141 142 # CN3 NN2B CN7B HN7
+ 458 115 140 139 155 159 # CN7 CN7B CN7B HN7
+ 459 196 140 139 155 157 # HN7 CN7B CN7B ON5
+ 460 193 140 139 155 156 # HN7 CN7B CN7B HN7
+ 461 177 141 144 146 147 # HN2 NN2U CN1T NN2B
+ 462 14 141 144 146 148 # CN1 NN2U CN1T NN2B
+ 463 2 141 142 150 148 # CN1 CN3T CN3 NN2B
+ 464 168 141 142 150 151 # CN9 CN3T CN3 NN2B
+ 465 117 141 139 155 159 # CN7 CN7B CN7B NN2B
+ 466 204 141 139 155 157 # NN2B CN7B CN7B ON5
+ 467 195 141 139 155 156 # HN7 CN7B CN7B NN2B
+ 468 43 142 150 148 146 # CN3 CN3T CN1 NN2U
+ 469 44 142 150 148 149 # CN3 CN3T CN1 ON1
+ 470 45 142 150 151 152 # CN3 CN3T CN9 HN9
+ 471 45 142 150 151 153 # CN3 CN3T CN9 HN9
+ 472 45 142 150 151 154 # CN3 CN3T CN9 HN9
+ 473 53 142 141 139 155 # CN3 NN2B CN7B CN7B
+ 474 51 142 141 144 146 # CN3 NN2B CN1T NN2U
+ 475 52 142 141 144 145 # CN3 NN2B CN1T ON1
+ 476 19 143 142 141 144 # CN1T NN2B CN3 HN3
+ 477 1 143 142 150 148 # CN1 CN3T CN3 HN3
+ 478 167 143 142 150 151 # CN9 CN3T CN3 HN3
+ 479 24 144 146 148 150 # CN1T NN2U CN1 CN3T
+ 480 25 144 146 148 149 # CN1T NN2U CN1 ON1
+ 481 20 144 141 139 155 # CN1T NN2B CN7B CN7B
+ 482 18 144 141 142 150 # CN1T NN2B CN3 CN3T
+ 483 178 145 144 146 147 # HN2 NN2U CN1T ON1
+ 484 15 145 144 146 148 # CN1 NN2U CN1T ON1
+ 485 165 146 148 150 151 # CN9 CN3T CN1 NN2U
+ 486 56 147 146 148 150 # CN3T CN1 NN2U HN2
+ 487 176 147 146 148 149 # HN2 NN2U CN1 ON1
+ 488 3 148 150 151 152 # CN1 CN3T CN9 HN9
+ 489 3 148 150 151 153 # CN1 CN3T CN9 HN9
+ 490 3 148 150 151 154 # CN1 CN3T CN9 HN9
+ 491 166 149 148 150 151 # CN9 CN3T CN1 ON1
+ 492 134 155 159 161 162 # CN7B CN7 ON2 P
+ 493 192 156 155 159 161 # HN7 CN7B CN7 ON2
+ 494 187 156 155 159 160 # HN7 CN7 CN7B HN7
+ 495 183 156 155 157 158 # HN5 ON5 CN7B HN7
+ 496 214 157 155 159 161 # ON2 CN7 CN7B ON5
+ 497 188 157 155 159 160 # HN7 CN7 CN7B ON5
+ 498 119 158 157 155 159 # CN7 CN7B ON5 HN5
+ 499 126 159 161 162 163 # CN7 ON2 P ON3
+ 500 126 159 161 162 164 # CN7 ON2 P ON3
+ 501 122 159 161 162 165 # CN7 ON2 P ON2
+ 502 123 159 161 162 165 # CN7 ON2 P ON2
+ 503 124 159 161 162 165 # CN7 ON2 P ON2
+ 504 191 160 159 161 162 # HN7 CN7 ON2 P
+ 505 160 161 162 165 166 # CN8B ON2 P ON2
+ 506 161 161 162 165 166 # CN8B ON2 P ON2
+ 507 162 161 162 165 166 # CN8B ON2 P ON2
+ 508 121 162 165 166 169 # CN7 CN8B ON2 P
+ 509 199 162 165 166 167 # HN8 CN8B ON2 P
+ 510 199 162 165 166 168 # HN8 CN8B ON2 P
+ 511 164 163 162 165 166 # CN8B ON2 P ON3
+ 512 164 164 162 165 166 # CN8B ON2 P ON3
+ 513 215 165 166 169 171 # ON2 CN8B CN7 ON6B
+ 514 105 165 166 169 192 # CN7 CN7 CN8B ON2
+ 515 106 165 166 169 192 # CN7 CN7 CN8B ON2
+ 516 107 165 166 169 192 # CN7 CN7 CN8B ON2
+ 517 108 165 166 169 192 # CN7 CN7 CN8B ON2
+ 518 190 165 166 169 170 # HN7 CN7 CN8B ON2
+ 519 155 166 169 171 172 # CN7B ON6B CN7 CN8B
+ 520 131 166 169 192 188 # CN7B CN7 CN7 CN8B
+ 521 158 166 169 192 194 # CN8B CN7 CN7 ON2
+ 522 159 166 169 192 194 # CN8B CN7 CN7 ON2
+ 523 157 166 169 192 193 # CN8B CN7 CN7 HN7
+ 524 198 167 166 169 171 # HN8 CN8B CN7 ON6B
+ 525 104 167 166 169 192 # CN7 CN7 CN8B HN8
+ 526 189 167 166 169 170 # HN7 CN7 CN8B HN8
+ 527 198 168 166 169 171 # HN8 CN8B CN7 ON6B
+ 528 104 168 166 169 192 # CN7 CN7 CN8B HN8
+ 529 189 168 166 169 170 # HN7 CN7 CN8B HN8
+ 530 103 169 192 188 190 # CN7 CN7 CN7B ON5
+ 531 102 169 192 188 189 # CN7 CN7 CN7B HN7
+ 532 109 169 192 194 195 # CN7 CN7 ON2 P
+ 533 110 169 192 194 195 # CN7 CN7 ON2 P
+ 534 112 169 192 194 195 # CN7 CN7 ON2 P
+ 535 113 169 192 194 195 # CN7 CN7 ON2 P
+ 536 129 169 171 172 174 # CN7 ON6B CN7B NN2
+ 537 128 169 171 172 173 # CN7 ON6B CN7B HN7
+ 538 156 170 169 171 172 # CN7B ON6B CN7 HN7
+ 539 132 170 169 192 188 # CN7B CN7 CN7 HN7
+ 540 185 170 169 192 194 # HN7 CN7 CN7 ON2
+ 541 184 170 169 192 193 # HN7 CN7 CN7 HN7
+ 542 84 171 172 174 183 # CN5 NN2 CN7B ON6B
+ 543 62 171 172 174 177 # CN4 NN2 CN7B ON6B
+ 544 118 171 172 188 192 # CN7 CN7B CN7B ON6B
+ 545 216 171 172 188 190 # ON5 CN7B CN7B ON6B
+ 546 197 171 172 188 189 # HN7 CN7B CN7B ON6B
+ 547 210 171 169 192 194 # ON2 CN7 CN7 ON6B
+ 548 213 171 169 192 194 # ON2 CN7 CN7 ON6B
+ 549 186 171 169 192 193 # HN7 CN7 CN7 ON6B
+ 550 136 172 188 192 194 # CN7B CN7B CN7 ON2
+ 551 138 172 188 192 194 # CN7B CN7B CN7 ON2
+ 552 135 172 188 192 193 # CN7B CN7B CN7 HN7
+ 553 139 172 188 190 191 # CN7B CN7B ON5 HN5
+ 554 140 172 188 190 191 # CN7B CN7B ON5 HN5
+ 555 148 172 174 183 182 # CN7B NN2 CN5 NN3A
+ 556 77 172 174 183 175 # CN5 CN5 NN2 CN7B
+ 557 146 172 174 177 178 # CN7B NN2 CN4 HN3
+ 558 147 172 174 177 176 # CN7B NN2 CN4 NN4
+ 559 83 173 172 174 183 # CN5 NN2 CN7B HN7
+ 560 61 173 172 174 177 # CN4 NN2 CN7B HN7
+ 561 115 173 172 188 192 # CN7 CN7B CN7B HN7
+ 562 196 173 172 188 190 # HN7 CN7B CN7B ON5
+ 563 193 173 172 188 189 # HN7 CN7B CN7B HN7
+ 564 71 174 183 182 180 # CN4 NN3A CN5 NN2
+ 565 28 174 183 175 184 # CN2 CN5 CN5 NN2
+ 566 201 174 183 175 176 # NN2 CN5 CN5 NN4
+ 567 96 174 177 176 175 # CN5 NN4 CN4 NN2
+ 568 116 174 172 188 192 # CN7 CN7B CN7B NN2
+ 569 202 174 172 188 190 # NN2 CN7B CN7B ON5
+ 570 194 174 172 188 189 # HN7 CN7B CN7B NN2
+ 571 74 175 184 185 186 # CN5 CN2 NN1 HN1
+ 572 74 175 184 185 187 # CN5 CN2 NN1 HN1
+ 573 68 175 184 179 180 # CN4 NN3A CN2 CN5
+ 574 58 175 183 174 177 # CN4 NN2 CN5 CN5
+ 575 70 175 183 182 180 # CN4 NN3A CN5 CN5
+ 576 95 175 176 177 178 # CN5 NN4 CN4 HN3
+ 577 81 176 177 174 183 # CN5 NN2 CN4 NN4
+ 578 200 176 175 184 185 # NN1 CN2 CN5 NN4
+ 579 206 176 175 184 179 # NN3A CN2 CN5 NN4
+ 580 207 176 175 183 182 # NN3A CN5 CN5 NN4
+ 581 30 177 176 175 184 # CN2 CN5 NN4 CN4
+ 582 72 177 176 175 183 # CN4 NN4 CN5 CN5
+ 583 60 177 174 172 188 # CN4 NN2 CN7B CN7B
+ 584 59 177 174 183 182 # CN4 NN2 CN5 NN3A
+ 585 80 178 177 174 183 # CN5 NN2 CN4 HN3
+ 586 171 179 184 185 186 # HN1 NN1 CN2 NN3A
+ 587 171 179 184 185 187 # HN1 NN1 CN2 NN3A
+ 588 76 179 184 175 183 # CN5 CN5 CN2 NN3A
+ 589 92 179 180 182 183 # CN5 NN3A CN4 NN3A
+ 590 69 180 179 184 185 # CN4 NN3A CN2 NN1
+ 591 35 181 180 179 184 # CN2 NN3A CN4 HN3
+ 592 91 181 180 182 183 # CN5 NN3A CN4 HN3
+ 593 29 182 183 175 184 # CN2 CN5 CN5 NN3A
+ 594 36 182 180 179 184 # CN2 NN3A CN4 NN3A
+ 595 75 183 175 184 185 # CN5 CN5 CN2 NN1
+ 596 82 183 174 172 188 # CN5 NN2 CN7B CN7B
+ 597 134 188 192 194 195 # CN7B CN7 ON2 P
+ 598 192 189 188 192 194 # HN7 CN7B CN7 ON2
+ 599 187 189 188 192 193 # HN7 CN7 CN7B HN7
+ 600 183 189 188 190 191 # HN5 ON5 CN7B HN7
+ 601 214 190 188 192 194 # ON2 CN7 CN7B ON5
+ 602 188 190 188 192 193 # HN7 CN7 CN7B ON5
+ 603 119 191 190 188 192 # CN7 CN7B ON5 HN5
+ 604 126 192 194 195 196 # CN7 ON2 P ON3
+ 605 126 192 194 195 197 # CN7 ON2 P ON3
+ 606 122 192 194 195 198 # CN7 ON2 P ON2
+ 607 123 192 194 195 198 # CN7 ON2 P ON2
+ 608 124 192 194 195 198 # CN7 ON2 P ON2
+ 609 191 193 192 194 195 # HN7 CN7 ON2 P
+ 610 160 194 195 198 199 # CN8B ON2 P ON2
+ 611 161 194 195 198 199 # CN8B ON2 P ON2
+ 612 162 194 195 198 199 # CN8B ON2 P ON2
+ 613 121 195 198 199 202 # CN7 CN8B ON2 P
+ 614 199 195 198 199 200 # HN8 CN8B ON2 P
+ 615 199 195 198 199 201 # HN8 CN8B ON2 P
+ 616 164 196 195 198 199 # CN8B ON2 P ON3
+ 617 164 197 195 198 199 # CN8B ON2 P ON3
+ 618 215 198 199 202 204 # ON2 CN8B CN7 ON6B
+ 619 105 198 199 202 226 # CN7 CN7 CN8B ON2
+ 620 106 198 199 202 226 # CN7 CN7 CN8B ON2
+ 621 107 198 199 202 226 # CN7 CN7 CN8B ON2
+ 622 108 198 199 202 226 # CN7 CN7 CN8B ON2
+ 623 190 198 199 202 203 # HN7 CN7 CN8B ON2
+ 624 155 199 202 204 205 # CN7B ON6B CN7 CN8B
+ 625 131 199 202 226 222 # CN7B CN7 CN7 CN8B
+ 626 158 199 202 226 228 # CN8B CN7 CN7 ON2
+ 627 159 199 202 226 228 # CN8B CN7 CN7 ON2
+ 628 157 199 202 226 227 # CN8B CN7 CN7 HN7
+ 629 198 200 199 202 204 # HN8 CN8B CN7 ON6B
+ 630 104 200 199 202 226 # CN7 CN7 CN8B HN8
+ 631 189 200 199 202 203 # HN7 CN7 CN8B HN8
+ 632 198 201 199 202 204 # HN8 CN8B CN7 ON6B
+ 633 104 201 199 202 226 # CN7 CN7 CN8B HN8
+ 634 189 201 199 202 203 # HN7 CN7 CN8B HN8
+ 635 103 202 226 222 224 # CN7 CN7 CN7B ON5
+ 636 102 202 226 222 223 # CN7 CN7 CN7B HN7
+ 637 109 202 226 228 229 # CN7 CN7 ON2 P
+ 638 110 202 226 228 229 # CN7 CN7 ON2 P
+ 639 112 202 226 228 229 # CN7 CN7 ON2 P
+ 640 113 202 226 228 229 # CN7 CN7 ON2 P
+ 641 130 202 204 205 207 # CN7 ON6B CN7B NN2B
+ 642 128 202 204 205 206 # CN7 ON6B CN7B HN7
+ 643 156 203 202 204 205 # CN7B ON6B CN7 HN7
+ 644 132 203 202 226 222 # CN7B CN7 CN7 HN7
+ 645 185 203 202 226 228 # HN7 CN7 CN7 ON2
+ 646 184 203 202 226 227 # HN7 CN7 CN7 HN7
+ 647 89 204 205 207 208 # CN5 NN2B CN7B ON6B
+ 648 90 204 205 207 208 # CN5 NN2B CN7B ON6B
+ 649 67 204 205 207 220 # CN4 NN2B CN7B ON6B
+ 650 118 204 205 222 226 # CN7 CN7B CN7B ON6B
+ 651 216 204 205 222 224 # ON5 CN7B CN7B ON6B
+ 652 197 204 205 222 223 # HN7 CN7B CN7B ON6B
+ 653 210 204 202 226 228 # ON2 CN7 CN7 ON6B
+ 654 213 204 202 226 228 # ON2 CN7 CN7 ON6B
+ 655 186 204 202 226 227 # HN7 CN7 CN7 ON6B
+ 656 136 205 222 226 228 # CN7B CN7B CN7 ON2
+ 657 138 205 222 226 228 # CN7B CN7B CN7 ON2
+ 658 135 205 222 226 227 # CN7B CN7B CN7 HN7
+ 659 139 205 222 224 225 # CN7B CN7B ON5 HN5
+ 660 140 205 222 224 225 # CN7B CN7B ON5 HN5
+ 661 154 205 207 208 212 # CN7B NN2B CN5 NN3G
+ 662 98 205 207 208 218 # CN5G CN5 NN2B CN7B
+ 663 152 205 207 220 221 # CN7B NN2B CN4 HN3
+ 664 153 205 207 220 219 # CN7B NN2B CN4 NN4
+ 665 88 206 205 207 208 # CN5 NN2B CN7B HN7
+ 666 66 206 205 207 220 # CN4 NN2B CN7B HN7
+ 667 115 206 205 222 226 # CN7 CN7B CN7B HN7
+ 668 196 206 205 222 224 # HN7 CN7B CN7B ON5
+ 669 193 206 205 222 223 # HN7 CN7B CN7B HN7
+ 670 100 207 220 219 218 # CN5G NN4 CN4 NN2B
+ 671 38 207 208 212 213 # CN2 NN3G CN5 NN2B
+ 672 4 207 208 218 216 # CN1 CN5G CN5 NN2B
+ 673 203 207 208 218 219 # NN2B CN5 CN5G NN4
+ 674 117 207 205 222 226 # CN7 CN7B CN7B NN2B
+ 675 204 207 205 222 224 # NN2B CN7B CN7B ON5
+ 676 195 207 205 222 223 # HN7 CN7B CN7B NN2B
+ 677 78 208 218 216 214 # CN5 CN5G CN1 NN2G
+ 678 79 208 218 216 217 # CN5 CN5G CN1 ON1
+ 679 73 208 218 219 220 # CN4 NN4 CN5G CN5
+ 680 93 208 212 213 209 # CN5 NN3G CN2 NN1
+ 681 94 208 212 213 214 # CN5 NN3G CN2 NN2G
+ 682 87 208 207 205 222 # CN5 NN2B CN7B CN7B
+ 683 85 208 207 220 221 # CN5 NN2B CN4 HN3
+ 684 86 208 207 220 219 # CN5 NN2B CN4 NN4
+ 685 174 209 213 214 215 # HN2 NN2G CN2 NN1
+ 686 12 209 213 214 216 # CN1 NN2G CN2 NN1
+ 687 169 210 209 213 214 # HN1 NN1 CN2 NN2G
+ 688 172 210 209 213 212 # HN1 NN1 CN2 NN3G
+ 689 169 211 209 213 214 # HN1 NN1 CN2 NN2G
+ 690 172 211 209 213 212 # HN1 NN1 CN2 NN3G
+ 691 175 212 213 214 215 # HN2 NN2G CN2 NN3G
+ 692 13 212 213 214 216 # CN1 NN2G CN2 NN3G
+ 693 64 212 208 207 220 # CN4 NN2B CN5 NN3G
+ 694 5 212 208 218 216 # CN1 CN5G CN5 NN3G
+ 695 208 212 208 218 219 # NN3G CN5 CN5G NN4
+ 696 31 213 214 216 218 # CN2 NN2G CN1 CN5G
+ 697 32 213 214 216 217 # CN2 NN2G CN1 ON1
+ 698 37 213 212 208 218 # CN2 NN3G CN5 CN5G
+ 699 205 214 216 218 219 # NN2G CN1 CN5G NN4
+ 700 97 215 214 216 218 # CN5G CN1 NN2G HN2
+ 701 173 215 214 216 217 # HN2 NN2G CN1 ON1
+ 702 6 216 218 219 220 # CN1 CN5G NN4 CN4
+ 703 209 217 216 218 219 # NN4 CN5G CN1 ON1
+ 704 99 218 219 220 221 # CN5G NN4 CN4 HN3
+ 705 63 218 208 207 220 # CN4 NN2B CN5 CN5G
+ 706 65 220 207 205 222 # CN4 NN2B CN7B CN7B
+ 707 134 222 226 228 229 # CN7B CN7 ON2 P
+ 708 192 223 222 226 228 # HN7 CN7B CN7 ON2
+ 709 187 223 222 226 227 # HN7 CN7 CN7B HN7
+ 710 183 223 222 224 225 # HN5 ON5 CN7B HN7
+ 711 214 224 222 226 228 # ON2 CN7 CN7B ON5
+ 712 188 224 222 226 227 # HN7 CN7 CN7B ON5
+ 713 119 225 224 222 226 # CN7 CN7B ON5 HN5
+ 714 126 226 228 229 230 # CN7 ON2 P ON3
+ 715 126 226 228 229 231 # CN7 ON2 P ON3
+ 716 122 226 228 229 232 # CN7 ON2 P ON2
+ 717 123 226 228 229 232 # CN7 ON2 P ON2
+ 718 124 226 228 229 232 # CN7 ON2 P ON2
+ 719 191 227 226 228 229 # HN7 CN7 ON2 P
+ 720 160 228 229 232 233 # CN8B ON2 P ON2
+ 721 161 228 229 232 233 # CN8B ON2 P ON2
+ 722 162 228 229 232 233 # CN8B ON2 P ON2
+ 723 121 229 232 233 236 # CN7 CN8B ON2 P
+ 724 199 229 232 233 234 # HN8 CN8B ON2 P
+ 725 199 229 232 233 235 # HN8 CN8B ON2 P
+ 726 164 230 229 232 233 # CN8B ON2 P ON3
+ 727 164 231 229 232 233 # CN8B ON2 P ON3
+ 728 215 232 233 236 238 # ON2 CN8B CN7 ON6B
+ 729 105 232 233 236 259 # CN7 CN7 CN8B ON2
+ 730 106 232 233 236 259 # CN7 CN7 CN8B ON2
+ 731 107 232 233 236 259 # CN7 CN7 CN8B ON2
+ 732 108 232 233 236 259 # CN7 CN7 CN8B ON2
+ 733 190 232 233 236 237 # HN7 CN7 CN8B ON2
+ 734 155 233 236 238 239 # CN7B ON6B CN7 CN8B
+ 735 131 233 236 259 255 # CN7B CN7 CN7 CN8B
+ 736 158 233 236 259 261 # CN8B CN7 CN7 ON2
+ 737 159 233 236 259 261 # CN8B CN7 CN7 ON2
+ 738 157 233 236 259 260 # CN8B CN7 CN7 HN7
+ 739 198 234 233 236 238 # HN8 CN8B CN7 ON6B
+ 740 104 234 233 236 259 # CN7 CN7 CN8B HN8
+ 741 189 234 233 236 237 # HN7 CN7 CN8B HN8
+ 742 198 235 233 236 238 # HN8 CN8B CN7 ON6B
+ 743 104 235 233 236 259 # CN7 CN7 CN8B HN8
+ 744 189 235 233 236 237 # HN7 CN7 CN8B HN8
+ 745 103 236 259 255 257 # CN7 CN7 CN7B ON5
+ 746 102 236 259 255 256 # CN7 CN7 CN7B HN7
+ 747 109 236 259 261 262 # CN7 CN7 ON2 P
+ 748 110 236 259 261 262 # CN7 CN7 ON2 P
+ 749 112 236 259 261 262 # CN7 CN7 ON2 P
+ 750 113 236 259 261 262 # CN7 CN7 ON2 P
+ 751 130 236 238 239 241 # CN7 ON6B CN7B NN2B
+ 752 128 236 238 239 240 # CN7 ON6B CN7B HN7
+ 753 156 237 236 238 239 # CN7B ON6B CN7 HN7
+ 754 132 237 236 259 255 # CN7B CN7 CN7 HN7
+ 755 185 237 236 259 261 # HN7 CN7 CN7 ON2
+ 756 184 237 236 259 260 # HN7 CN7 CN7 HN7
+ 757 22 238 239 241 244 # CN1T NN2B CN7B ON6B
+ 758 23 238 239 241 244 # CN1T NN2B CN7B ON6B
+ 759 55 238 239 241 242 # CN3 NN2B CN7B ON6B
+ 760 118 238 239 255 259 # CN7 CN7B CN7B ON6B
+ 761 216 238 239 255 257 # ON5 CN7B CN7B ON6B
+ 762 197 238 239 255 256 # HN7 CN7B CN7B ON6B
+ 763 210 238 236 259 261 # ON2 CN7 CN7 ON6B
+ 764 213 238 236 259 261 # ON2 CN7 CN7 ON6B
+ 765 186 238 236 259 260 # HN7 CN7 CN7 ON6B
+ 766 136 239 255 259 261 # CN7B CN7B CN7 ON2
+ 767 138 239 255 259 261 # CN7B CN7B CN7 ON2
+ 768 135 239 255 259 260 # CN7B CN7B CN7 HN7
+ 769 139 239 255 257 258 # CN7B CN7B ON5 HN5
+ 770 140 239 255 257 258 # CN7B CN7B ON5 HN5
+ 771 149 239 241 244 246 # CN7B NN2B CN1T NN2U
+ 772 150 239 241 244 245 # CN7B NN2B CN1T ON1
+ 773 151 239 241 242 243 # CN7B NN2B CN3 HN3
+ 774 57 239 241 242 250 # CN3T CN3 NN2B CN7B
+ 775 21 240 239 241 244 # CN1T NN2B CN7B HN7
+ 776 54 240 239 241 242 # CN3 NN2B CN7B HN7
+ 777 115 240 239 255 259 # CN7 CN7B CN7B HN7
+ 778 196 240 239 255 257 # HN7 CN7B CN7B ON5
+ 779 193 240 239 255 256 # HN7 CN7B CN7B HN7
+ 780 177 241 244 246 247 # HN2 NN2U CN1T NN2B
+ 781 14 241 244 246 248 # CN1 NN2U CN1T NN2B
+ 782 2 241 242 250 248 # CN1 CN3T CN3 NN2B
+ 783 168 241 242 250 251 # CN9 CN3T CN3 NN2B
+ 784 117 241 239 255 259 # CN7 CN7B CN7B NN2B
+ 785 204 241 239 255 257 # NN2B CN7B CN7B ON5
+ 786 195 241 239 255 256 # HN7 CN7B CN7B NN2B
+ 787 43 242 250 248 246 # CN3 CN3T CN1 NN2U
+ 788 44 242 250 248 249 # CN3 CN3T CN1 ON1
+ 789 45 242 250 251 252 # CN3 CN3T CN9 HN9
+ 790 45 242 250 251 253 # CN3 CN3T CN9 HN9
+ 791 45 242 250 251 254 # CN3 CN3T CN9 HN9
+ 792 53 242 241 239 255 # CN3 NN2B CN7B CN7B
+ 793 51 242 241 244 246 # CN3 NN2B CN1T NN2U
+ 794 52 242 241 244 245 # CN3 NN2B CN1T ON1
+ 795 19 243 242 241 244 # CN1T NN2B CN3 HN3
+ 796 1 243 242 250 248 # CN1 CN3T CN3 HN3
+ 797 167 243 242 250 251 # CN9 CN3T CN3 HN3
+ 798 24 244 246 248 250 # CN1T NN2U CN1 CN3T
+ 799 25 244 246 248 249 # CN1T NN2U CN1 ON1
+ 800 20 244 241 239 255 # CN1T NN2B CN7B CN7B
+ 801 18 244 241 242 250 # CN1T NN2B CN3 CN3T
+ 802 178 245 244 246 247 # HN2 NN2U CN1T ON1
+ 803 15 245 244 246 248 # CN1 NN2U CN1T ON1
+ 804 165 246 248 250 251 # CN9 CN3T CN1 NN2U
+ 805 56 247 246 248 250 # CN3T CN1 NN2U HN2
+ 806 176 247 246 248 249 # HN2 NN2U CN1 ON1
+ 807 3 248 250 251 252 # CN1 CN3T CN9 HN9
+ 808 3 248 250 251 253 # CN1 CN3T CN9 HN9
+ 809 3 248 250 251 254 # CN1 CN3T CN9 HN9
+ 810 166 249 248 250 251 # CN9 CN3T CN1 ON1
+ 811 134 255 259 261 262 # CN7B CN7 ON2 P
+ 812 192 256 255 259 261 # HN7 CN7B CN7 ON2
+ 813 187 256 255 259 260 # HN7 CN7 CN7B HN7
+ 814 183 256 255 257 258 # HN5 ON5 CN7B HN7
+ 815 214 257 255 259 261 # ON2 CN7 CN7B ON5
+ 816 188 257 255 259 260 # HN7 CN7 CN7B ON5
+ 817 119 258 257 255 259 # CN7 CN7B ON5 HN5
+ 818 126 259 261 262 263 # CN7 ON2 P ON3
+ 819 126 259 261 262 264 # CN7 ON2 P ON3
+ 820 122 259 261 262 265 # CN7 ON2 P ON2
+ 821 123 259 261 262 265 # CN7 ON2 P ON2
+ 822 124 259 261 262 265 # CN7 ON2 P ON2
+ 823 191 260 259 261 262 # HN7 CN7 ON2 P
+ 824 160 261 262 265 266 # CN8B ON2 P ON2
+ 825 161 261 262 265 266 # CN8B ON2 P ON2
+ 826 162 261 262 265 266 # CN8B ON2 P ON2
+ 827 121 262 265 266 269 # CN7 CN8B ON2 P
+ 828 199 262 265 266 267 # HN8 CN8B ON2 P
+ 829 199 262 265 266 268 # HN8 CN8B ON2 P
+ 830 164 263 262 265 266 # CN8B ON2 P ON3
+ 831 164 264 262 265 266 # CN8B ON2 P ON3
+ 832 215 265 266 269 271 # ON2 CN8B CN7 ON6B
+ 833 105 265 266 269 292 # CN7 CN7 CN8B ON2
+ 834 106 265 266 269 292 # CN7 CN7 CN8B ON2
+ 835 107 265 266 269 292 # CN7 CN7 CN8B ON2
+ 836 108 265 266 269 292 # CN7 CN7 CN8B ON2
+ 837 190 265 266 269 270 # HN7 CN7 CN8B ON2
+ 838 155 266 269 271 272 # CN7B ON6B CN7 CN8B
+ 839 131 266 269 292 288 # CN7B CN7 CN7 CN8B
+ 840 158 266 269 292 294 # CN8B CN7 CN7 ON2
+ 841 159 266 269 292 294 # CN8B CN7 CN7 ON2
+ 842 157 266 269 292 293 # CN8B CN7 CN7 HN7
+ 843 198 267 266 269 271 # HN8 CN8B CN7 ON6B
+ 844 104 267 266 269 292 # CN7 CN7 CN8B HN8
+ 845 189 267 266 269 270 # HN7 CN7 CN8B HN8
+ 846 198 268 266 269 271 # HN8 CN8B CN7 ON6B
+ 847 104 268 266 269 292 # CN7 CN7 CN8B HN8
+ 848 189 268 266 269 270 # HN7 CN7 CN8B HN8
+ 849 103 269 292 288 290 # CN7 CN7 CN7B ON5
+ 850 102 269 292 288 289 # CN7 CN7 CN7B HN7
+ 851 109 269 292 294 295 # CN7 CN7 ON2 P
+ 852 110 269 292 294 295 # CN7 CN7 ON2 P
+ 853 112 269 292 294 295 # CN7 CN7 ON2 P
+ 854 113 269 292 294 295 # CN7 CN7 ON2 P
+ 855 130 269 271 272 274 # CN7 ON6B CN7B NN2B
+ 856 128 269 271 272 273 # CN7 ON6B CN7B HN7
+ 857 156 270 269 271 272 # CN7B ON6B CN7 HN7
+ 858 132 270 269 292 288 # CN7B CN7 CN7 HN7
+ 859 185 270 269 292 294 # HN7 CN7 CN7 ON2
+ 860 184 270 269 292 293 # HN7 CN7 CN7 HN7
+ 861 22 271 272 274 277 # CN1T NN2B CN7B ON6B
+ 862 23 271 272 274 277 # CN1T NN2B CN7B ON6B
+ 863 55 271 272 274 275 # CN3 NN2B CN7B ON6B
+ 864 118 271 272 288 292 # CN7 CN7B CN7B ON6B
+ 865 216 271 272 288 290 # ON5 CN7B CN7B ON6B
+ 866 197 271 272 288 289 # HN7 CN7B CN7B ON6B
+ 867 210 271 269 292 294 # ON2 CN7 CN7 ON6B
+ 868 213 271 269 292 294 # ON2 CN7 CN7 ON6B
+ 869 186 271 269 292 293 # HN7 CN7 CN7 ON6B
+ 870 136 272 288 292 294 # CN7B CN7B CN7 ON2
+ 871 138 272 288 292 294 # CN7B CN7B CN7 ON2
+ 872 135 272 288 292 293 # CN7B CN7B CN7 HN7
+ 873 139 272 288 290 291 # CN7B CN7B ON5 HN5
+ 874 140 272 288 290 291 # CN7B CN7B ON5 HN5
+ 875 149 272 274 277 279 # CN7B NN2B CN1T NN2U
+ 876 150 272 274 277 278 # CN7B NN2B CN1T ON1
+ 877 151 272 274 275 276 # CN7B NN2B CN3 HN3
+ 878 57 272 274 275 283 # CN3T CN3 NN2B CN7B
+ 879 21 273 272 274 277 # CN1T NN2B CN7B HN7
+ 880 54 273 272 274 275 # CN3 NN2B CN7B HN7
+ 881 115 273 272 288 292 # CN7 CN7B CN7B HN7
+ 882 196 273 272 288 290 # HN7 CN7B CN7B ON5
+ 883 193 273 272 288 289 # HN7 CN7B CN7B HN7
+ 884 177 274 277 279 280 # HN2 NN2U CN1T NN2B
+ 885 14 274 277 279 281 # CN1 NN2U CN1T NN2B
+ 886 2 274 275 283 281 # CN1 CN3T CN3 NN2B
+ 887 168 274 275 283 284 # CN9 CN3T CN3 NN2B
+ 888 117 274 272 288 292 # CN7 CN7B CN7B NN2B
+ 889 204 274 272 288 290 # NN2B CN7B CN7B ON5
+ 890 195 274 272 288 289 # HN7 CN7B CN7B NN2B
+ 891 43 275 283 281 279 # CN3 CN3T CN1 NN2U
+ 892 44 275 283 281 282 # CN3 CN3T CN1 ON1
+ 893 45 275 283 284 285 # CN3 CN3T CN9 HN9
+ 894 45 275 283 284 286 # CN3 CN3T CN9 HN9
+ 895 45 275 283 284 287 # CN3 CN3T CN9 HN9
+ 896 53 275 274 272 288 # CN3 NN2B CN7B CN7B
+ 897 51 275 274 277 279 # CN3 NN2B CN1T NN2U
+ 898 52 275 274 277 278 # CN3 NN2B CN1T ON1
+ 899 19 276 275 274 277 # CN1T NN2B CN3 HN3
+ 900 1 276 275 283 281 # CN1 CN3T CN3 HN3
+ 901 167 276 275 283 284 # CN9 CN3T CN3 HN3
+ 902 24 277 279 281 283 # CN1T NN2U CN1 CN3T
+ 903 25 277 279 281 282 # CN1T NN2U CN1 ON1
+ 904 20 277 274 272 288 # CN1T NN2B CN7B CN7B
+ 905 18 277 274 275 283 # CN1T NN2B CN3 CN3T
+ 906 178 278 277 279 280 # HN2 NN2U CN1T ON1
+ 907 15 278 277 279 281 # CN1 NN2U CN1T ON1
+ 908 165 279 281 283 284 # CN9 CN3T CN1 NN2U
+ 909 56 280 279 281 283 # CN3T CN1 NN2U HN2
+ 910 176 280 279 281 282 # HN2 NN2U CN1 ON1
+ 911 3 281 283 284 285 # CN1 CN3T CN9 HN9
+ 912 3 281 283 284 286 # CN1 CN3T CN9 HN9
+ 913 3 281 283 284 287 # CN1 CN3T CN9 HN9
+ 914 166 282 281 283 284 # CN9 CN3T CN1 ON1
+ 915 134 288 292 294 295 # CN7B CN7 ON2 P
+ 916 192 289 288 292 294 # HN7 CN7B CN7 ON2
+ 917 187 289 288 292 293 # HN7 CN7 CN7B HN7
+ 918 183 289 288 290 291 # HN5 ON5 CN7B HN7
+ 919 214 290 288 292 294 # ON2 CN7 CN7B ON5
+ 920 188 290 288 292 293 # HN7 CN7 CN7B ON5
+ 921 119 291 290 288 292 # CN7 CN7B ON5 HN5
+ 922 126 292 294 295 296 # CN7 ON2 P ON3
+ 923 126 292 294 295 297 # CN7 ON2 P ON3
+ 924 122 292 294 295 298 # CN7 ON2 P ON2
+ 925 123 292 294 295 298 # CN7 ON2 P ON2
+ 926 124 292 294 295 298 # CN7 ON2 P ON2
+ 927 191 293 292 294 295 # HN7 CN7 ON2 P
+ 928 160 294 295 298 299 # CN8B ON2 P ON2
+ 929 161 294 295 298 299 # CN8B ON2 P ON2
+ 930 162 294 295 298 299 # CN8B ON2 P ON2
+ 931 121 295 298 299 302 # CN7 CN8B ON2 P
+ 932 199 295 298 299 300 # HN8 CN8B ON2 P
+ 933 199 295 298 299 301 # HN8 CN8B ON2 P
+ 934 164 296 295 298 299 # CN8B ON2 P ON3
+ 935 164 297 295 298 299 # CN8B ON2 P ON3
+ 936 215 298 299 302 304 # ON2 CN8B CN7 ON6B
+ 937 105 298 299 302 325 # CN7 CN7 CN8B ON2
+ 938 106 298 299 302 325 # CN7 CN7 CN8B ON2
+ 939 107 298 299 302 325 # CN7 CN7 CN8B ON2
+ 940 108 298 299 302 325 # CN7 CN7 CN8B ON2
+ 941 190 298 299 302 303 # HN7 CN7 CN8B ON2
+ 942 155 299 302 304 305 # CN7B ON6B CN7 CN8B
+ 943 131 299 302 325 321 # CN7B CN7 CN7 CN8B
+ 944 158 299 302 325 327 # CN8B CN7 CN7 ON2
+ 945 159 299 302 325 327 # CN8B CN7 CN7 ON2
+ 946 157 299 302 325 326 # CN8B CN7 CN7 HN7
+ 947 198 300 299 302 304 # HN8 CN8B CN7 ON6B
+ 948 104 300 299 302 325 # CN7 CN7 CN8B HN8
+ 949 189 300 299 302 303 # HN7 CN7 CN8B HN8
+ 950 198 301 299 302 304 # HN8 CN8B CN7 ON6B
+ 951 104 301 299 302 325 # CN7 CN7 CN8B HN8
+ 952 189 301 299 302 303 # HN7 CN7 CN8B HN8
+ 953 103 302 325 321 323 # CN7 CN7 CN7B ON5
+ 954 102 302 325 321 322 # CN7 CN7 CN7B HN7
+ 955 109 302 325 327 328 # CN7 CN7 ON2 P
+ 956 110 302 325 327 328 # CN7 CN7 ON2 P
+ 957 112 302 325 327 328 # CN7 CN7 ON2 P
+ 958 113 302 325 327 328 # CN7 CN7 ON2 P
+ 959 129 302 304 305 307 # CN7 ON6B CN7B NN2
+ 960 128 302 304 305 306 # CN7 ON6B CN7B HN7
+ 961 156 303 302 304 305 # CN7B ON6B CN7 HN7
+ 962 132 303 302 325 321 # CN7B CN7 CN7 HN7
+ 963 185 303 302 325 327 # HN7 CN7 CN7 ON2
+ 964 184 303 302 325 326 # HN7 CN7 CN7 HN7
+ 965 84 304 305 307 316 # CN5 NN2 CN7B ON6B
+ 966 62 304 305 307 310 # CN4 NN2 CN7B ON6B
+ 967 118 304 305 321 325 # CN7 CN7B CN7B ON6B
+ 968 216 304 305 321 323 # ON5 CN7B CN7B ON6B
+ 969 197 304 305 321 322 # HN7 CN7B CN7B ON6B
+ 970 210 304 302 325 327 # ON2 CN7 CN7 ON6B
+ 971 213 304 302 325 327 # ON2 CN7 CN7 ON6B
+ 972 186 304 302 325 326 # HN7 CN7 CN7 ON6B
+ 973 136 305 321 325 327 # CN7B CN7B CN7 ON2
+ 974 138 305 321 325 327 # CN7B CN7B CN7 ON2
+ 975 135 305 321 325 326 # CN7B CN7B CN7 HN7
+ 976 139 305 321 323 324 # CN7B CN7B ON5 HN5
+ 977 140 305 321 323 324 # CN7B CN7B ON5 HN5
+ 978 148 305 307 316 315 # CN7B NN2 CN5 NN3A
+ 979 77 305 307 316 308 # CN5 CN5 NN2 CN7B
+ 980 146 305 307 310 311 # CN7B NN2 CN4 HN3
+ 981 147 305 307 310 309 # CN7B NN2 CN4 NN4
+ 982 83 306 305 307 316 # CN5 NN2 CN7B HN7
+ 983 61 306 305 307 310 # CN4 NN2 CN7B HN7
+ 984 115 306 305 321 325 # CN7 CN7B CN7B HN7
+ 985 196 306 305 321 323 # HN7 CN7B CN7B ON5
+ 986 193 306 305 321 322 # HN7 CN7B CN7B HN7
+ 987 71 307 316 315 313 # CN4 NN3A CN5 NN2
+ 988 28 307 316 308 317 # CN2 CN5 CN5 NN2
+ 989 201 307 316 308 309 # NN2 CN5 CN5 NN4
+ 990 96 307 310 309 308 # CN5 NN4 CN4 NN2
+ 991 116 307 305 321 325 # CN7 CN7B CN7B NN2
+ 992 202 307 305 321 323 # NN2 CN7B CN7B ON5
+ 993 194 307 305 321 322 # HN7 CN7B CN7B NN2
+ 994 74 308 317 318 319 # CN5 CN2 NN1 HN1
+ 995 74 308 317 318 320 # CN5 CN2 NN1 HN1
+ 996 68 308 317 312 313 # CN4 NN3A CN2 CN5
+ 997 58 308 316 307 310 # CN4 NN2 CN5 CN5
+ 998 70 308 316 315 313 # CN4 NN3A CN5 CN5
+ 999 95 308 309 310 311 # CN5 NN4 CN4 HN3
+ 1000 81 309 310 307 316 # CN5 NN2 CN4 NN4
+ 1001 200 309 308 317 318 # NN1 CN2 CN5 NN4
+ 1002 206 309 308 317 312 # NN3A CN2 CN5 NN4
+ 1003 207 309 308 316 315 # NN3A CN5 CN5 NN4
+ 1004 30 310 309 308 317 # CN2 CN5 NN4 CN4
+ 1005 72 310 309 308 316 # CN4 NN4 CN5 CN5
+ 1006 60 310 307 305 321 # CN4 NN2 CN7B CN7B
+ 1007 59 310 307 316 315 # CN4 NN2 CN5 NN3A
+ 1008 80 311 310 307 316 # CN5 NN2 CN4 HN3
+ 1009 171 312 317 318 319 # HN1 NN1 CN2 NN3A
+ 1010 171 312 317 318 320 # HN1 NN1 CN2 NN3A
+ 1011 76 312 317 308 316 # CN5 CN5 CN2 NN3A
+ 1012 92 312 313 315 316 # CN5 NN3A CN4 NN3A
+ 1013 69 313 312 317 318 # CN4 NN3A CN2 NN1
+ 1014 35 314 313 312 317 # CN2 NN3A CN4 HN3
+ 1015 91 314 313 315 316 # CN5 NN3A CN4 HN3
+ 1016 29 315 316 308 317 # CN2 CN5 CN5 NN3A
+ 1017 36 315 313 312 317 # CN2 NN3A CN4 NN3A
+ 1018 75 316 308 317 318 # CN5 CN5 CN2 NN1
+ 1019 82 316 307 305 321 # CN5 NN2 CN7B CN7B
+ 1020 134 321 325 327 328 # CN7B CN7 ON2 P
+ 1021 192 322 321 325 327 # HN7 CN7B CN7 ON2
+ 1022 187 322 321 325 326 # HN7 CN7 CN7B HN7
+ 1023 183 322 321 323 324 # HN5 ON5 CN7B HN7
+ 1024 214 323 321 325 327 # ON2 CN7 CN7B ON5
+ 1025 188 323 321 325 326 # HN7 CN7 CN7B ON5
+ 1026 119 324 323 321 325 # CN7 CN7B ON5 HN5
+ 1027 126 325 327 328 329 # CN7 ON2 P ON3
+ 1028 126 325 327 328 330 # CN7 ON2 P ON3
+ 1029 122 325 327 328 331 # CN7 ON2 P ON2
+ 1030 123 325 327 328 331 # CN7 ON2 P ON2
+ 1031 124 325 327 328 331 # CN7 ON2 P ON2
+ 1032 191 326 325 327 328 # HN7 CN7 ON2 P
+ 1033 160 327 328 331 332 # CN8B ON2 P ON2
+ 1034 161 327 328 331 332 # CN8B ON2 P ON2
+ 1035 162 327 328 331 332 # CN8B ON2 P ON2
+ 1036 121 328 331 332 335 # CN7 CN8B ON2 P
+ 1037 199 328 331 332 333 # HN8 CN8B ON2 P
+ 1038 199 328 331 332 334 # HN8 CN8B ON2 P
+ 1039 164 329 328 331 332 # CN8B ON2 P ON3
+ 1040 164 330 328 331 332 # CN8B ON2 P ON3
+ 1041 215 331 332 335 337 # ON2 CN8B CN7 ON6B
+ 1042 105 331 332 335 358 # CN7 CN7 CN8B ON2
+ 1043 106 331 332 335 358 # CN7 CN7 CN8B ON2
+ 1044 107 331 332 335 358 # CN7 CN7 CN8B ON2
+ 1045 108 331 332 335 358 # CN7 CN7 CN8B ON2
+ 1046 190 331 332 335 336 # HN7 CN7 CN8B ON2
+ 1047 155 332 335 337 338 # CN7B ON6B CN7 CN8B
+ 1048 131 332 335 358 354 # CN7B CN7 CN7 CN8B
+ 1049 158 332 335 358 360 # CN8B CN7 CN7 ON2
+ 1050 159 332 335 358 360 # CN8B CN7 CN7 ON2
+ 1051 157 332 335 358 359 # CN8B CN7 CN7 HN7
+ 1052 198 333 332 335 337 # HN8 CN8B CN7 ON6B
+ 1053 104 333 332 335 358 # CN7 CN7 CN8B HN8
+ 1054 189 333 332 335 336 # HN7 CN7 CN8B HN8
+ 1055 198 334 332 335 337 # HN8 CN8B CN7 ON6B
+ 1056 104 334 332 335 358 # CN7 CN7 CN8B HN8
+ 1057 189 334 332 335 336 # HN7 CN7 CN8B HN8
+ 1058 103 335 358 354 356 # CN7 CN7 CN7B ON5
+ 1059 102 335 358 354 355 # CN7 CN7 CN7B HN7
+ 1060 109 335 358 360 361 # CN7 CN7 ON2 P
+ 1061 110 335 358 360 361 # CN7 CN7 ON2 P
+ 1062 112 335 358 360 361 # CN7 CN7 ON2 P
+ 1063 113 335 358 360 361 # CN7 CN7 ON2 P
+ 1064 130 335 337 338 340 # CN7 ON6B CN7B NN2B
+ 1065 128 335 337 338 339 # CN7 ON6B CN7B HN7
+ 1066 156 336 335 337 338 # CN7B ON6B CN7 HN7
+ 1067 132 336 335 358 354 # CN7B CN7 CN7 HN7
+ 1068 185 336 335 358 360 # HN7 CN7 CN7 ON2
+ 1069 184 336 335 358 359 # HN7 CN7 CN7 HN7
+ 1070 22 337 338 340 343 # CN1T NN2B CN7B ON6B
+ 1071 23 337 338 340 343 # CN1T NN2B CN7B ON6B
+ 1072 55 337 338 340 341 # CN3 NN2B CN7B ON6B
+ 1073 118 337 338 354 358 # CN7 CN7B CN7B ON6B
+ 1074 216 337 338 354 356 # ON5 CN7B CN7B ON6B
+ 1075 197 337 338 354 355 # HN7 CN7B CN7B ON6B
+ 1076 210 337 335 358 360 # ON2 CN7 CN7 ON6B
+ 1077 213 337 335 358 360 # ON2 CN7 CN7 ON6B
+ 1078 186 337 335 358 359 # HN7 CN7 CN7 ON6B
+ 1079 136 338 354 358 360 # CN7B CN7B CN7 ON2
+ 1080 138 338 354 358 360 # CN7B CN7B CN7 ON2
+ 1081 135 338 354 358 359 # CN7B CN7B CN7 HN7
+ 1082 139 338 354 356 357 # CN7B CN7B ON5 HN5
+ 1083 140 338 354 356 357 # CN7B CN7B ON5 HN5
+ 1084 149 338 340 343 345 # CN7B NN2B CN1T NN2U
+ 1085 150 338 340 343 344 # CN7B NN2B CN1T ON1
+ 1086 151 338 340 341 342 # CN7B NN2B CN3 HN3
+ 1087 57 338 340 341 349 # CN3T CN3 NN2B CN7B
+ 1088 21 339 338 340 343 # CN1T NN2B CN7B HN7
+ 1089 54 339 338 340 341 # CN3 NN2B CN7B HN7
+ 1090 115 339 338 354 358 # CN7 CN7B CN7B HN7
+ 1091 196 339 338 354 356 # HN7 CN7B CN7B ON5
+ 1092 193 339 338 354 355 # HN7 CN7B CN7B HN7
+ 1093 177 340 343 345 346 # HN2 NN2U CN1T NN2B
+ 1094 14 340 343 345 347 # CN1 NN2U CN1T NN2B
+ 1095 2 340 341 349 347 # CN1 CN3T CN3 NN2B
+ 1096 168 340 341 349 350 # CN9 CN3T CN3 NN2B
+ 1097 117 340 338 354 358 # CN7 CN7B CN7B NN2B
+ 1098 204 340 338 354 356 # NN2B CN7B CN7B ON5
+ 1099 195 340 338 354 355 # HN7 CN7B CN7B NN2B
+ 1100 43 341 349 347 345 # CN3 CN3T CN1 NN2U
+ 1101 44 341 349 347 348 # CN3 CN3T CN1 ON1
+ 1102 45 341 349 350 351 # CN3 CN3T CN9 HN9
+ 1103 45 341 349 350 352 # CN3 CN3T CN9 HN9
+ 1104 45 341 349 350 353 # CN3 CN3T CN9 HN9
+ 1105 53 341 340 338 354 # CN3 NN2B CN7B CN7B
+ 1106 51 341 340 343 345 # CN3 NN2B CN1T NN2U
+ 1107 52 341 340 343 344 # CN3 NN2B CN1T ON1
+ 1108 19 342 341 340 343 # CN1T NN2B CN3 HN3
+ 1109 1 342 341 349 347 # CN1 CN3T CN3 HN3
+ 1110 167 342 341 349 350 # CN9 CN3T CN3 HN3
+ 1111 24 343 345 347 349 # CN1T NN2U CN1 CN3T
+ 1112 25 343 345 347 348 # CN1T NN2U CN1 ON1
+ 1113 20 343 340 338 354 # CN1T NN2B CN7B CN7B
+ 1114 18 343 340 341 349 # CN1T NN2B CN3 CN3T
+ 1115 178 344 343 345 346 # HN2 NN2U CN1T ON1
+ 1116 15 344 343 345 347 # CN1 NN2U CN1T ON1
+ 1117 165 345 347 349 350 # CN9 CN3T CN1 NN2U
+ 1118 56 346 345 347 349 # CN3T CN1 NN2U HN2
+ 1119 176 346 345 347 348 # HN2 NN2U CN1 ON1
+ 1120 3 347 349 350 351 # CN1 CN3T CN9 HN9
+ 1121 3 347 349 350 352 # CN1 CN3T CN9 HN9
+ 1122 3 347 349 350 353 # CN1 CN3T CN9 HN9
+ 1123 166 348 347 349 350 # CN9 CN3T CN1 ON1
+ 1124 134 354 358 360 361 # CN7B CN7 ON2 P
+ 1125 192 355 354 358 360 # HN7 CN7B CN7 ON2
+ 1126 187 355 354 358 359 # HN7 CN7 CN7B HN7
+ 1127 183 355 354 356 357 # HN5 ON5 CN7B HN7
+ 1128 214 356 354 358 360 # ON2 CN7 CN7B ON5
+ 1129 188 356 354 358 359 # HN7 CN7 CN7B ON5
+ 1130 119 357 356 354 358 # CN7 CN7B ON5 HN5
+ 1131 126 358 360 361 362 # CN7 ON2 P ON3
+ 1132 126 358 360 361 363 # CN7 ON2 P ON3
+ 1133 122 358 360 361 364 # CN7 ON2 P ON2
+ 1134 123 358 360 361 364 # CN7 ON2 P ON2
+ 1135 124 358 360 361 364 # CN7 ON2 P ON2
+ 1136 191 359 358 360 361 # HN7 CN7 ON2 P
+ 1137 160 360 361 364 365 # CN8B ON2 P ON2
+ 1138 161 360 361 364 365 # CN8B ON2 P ON2
+ 1139 162 360 361 364 365 # CN8B ON2 P ON2
+ 1140 121 361 364 365 368 # CN7 CN8B ON2 P
+ 1141 199 361 364 365 366 # HN8 CN8B ON2 P
+ 1142 199 361 364 365 367 # HN8 CN8B ON2 P
+ 1143 164 362 361 364 365 # CN8B ON2 P ON3
+ 1144 164 363 361 364 365 # CN8B ON2 P ON3
+ 1145 215 364 365 368 370 # ON2 CN8B CN7 ON6B
+ 1146 105 364 365 368 391 # CN7 CN7 CN8B ON2
+ 1147 106 364 365 368 391 # CN7 CN7 CN8B ON2
+ 1148 107 364 365 368 391 # CN7 CN7 CN8B ON2
+ 1149 108 364 365 368 391 # CN7 CN7 CN8B ON2
+ 1150 190 364 365 368 369 # HN7 CN7 CN8B ON2
+ 1151 155 365 368 370 371 # CN7B ON6B CN7 CN8B
+ 1152 131 365 368 391 387 # CN7B CN7 CN7 CN8B
+ 1153 158 365 368 391 393 # CN8B CN7 CN7 ON2
+ 1154 159 365 368 391 393 # CN8B CN7 CN7 ON2
+ 1155 157 365 368 391 392 # CN8B CN7 CN7 HN7
+ 1156 198 366 365 368 370 # HN8 CN8B CN7 ON6B
+ 1157 104 366 365 368 391 # CN7 CN7 CN8B HN8
+ 1158 189 366 365 368 369 # HN7 CN7 CN8B HN8
+ 1159 198 367 365 368 370 # HN8 CN8B CN7 ON6B
+ 1160 104 367 365 368 391 # CN7 CN7 CN8B HN8
+ 1161 189 367 365 368 369 # HN7 CN7 CN8B HN8
+ 1162 103 368 391 387 389 # CN7 CN7 CN7B ON5
+ 1163 102 368 391 387 388 # CN7 CN7 CN7B HN7
+ 1164 109 368 391 393 394 # CN7 CN7 ON2 P
+ 1165 110 368 391 393 394 # CN7 CN7 ON2 P
+ 1166 112 368 391 393 394 # CN7 CN7 ON2 P
+ 1167 113 368 391 393 394 # CN7 CN7 ON2 P
+ 1168 129 368 370 371 373 # CN7 ON6B CN7B NN2
+ 1169 128 368 370 371 372 # CN7 ON6B CN7B HN7
+ 1170 156 369 368 370 371 # CN7B ON6B CN7 HN7
+ 1171 132 369 368 391 387 # CN7B CN7 CN7 HN7
+ 1172 185 369 368 391 393 # HN7 CN7 CN7 ON2
+ 1173 184 369 368 391 392 # HN7 CN7 CN7 HN7
+ 1174 84 370 371 373 382 # CN5 NN2 CN7B ON6B
+ 1175 62 370 371 373 376 # CN4 NN2 CN7B ON6B
+ 1176 118 370 371 387 391 # CN7 CN7B CN7B ON6B
+ 1177 216 370 371 387 389 # ON5 CN7B CN7B ON6B
+ 1178 197 370 371 387 388 # HN7 CN7B CN7B ON6B
+ 1179 210 370 368 391 393 # ON2 CN7 CN7 ON6B
+ 1180 213 370 368 391 393 # ON2 CN7 CN7 ON6B
+ 1181 186 370 368 391 392 # HN7 CN7 CN7 ON6B
+ 1182 136 371 387 391 393 # CN7B CN7B CN7 ON2
+ 1183 138 371 387 391 393 # CN7B CN7B CN7 ON2
+ 1184 135 371 387 391 392 # CN7B CN7B CN7 HN7
+ 1185 139 371 387 389 390 # CN7B CN7B ON5 HN5
+ 1186 140 371 387 389 390 # CN7B CN7B ON5 HN5
+ 1187 148 371 373 382 381 # CN7B NN2 CN5 NN3A
+ 1188 77 371 373 382 374 # CN5 CN5 NN2 CN7B
+ 1189 146 371 373 376 377 # CN7B NN2 CN4 HN3
+ 1190 147 371 373 376 375 # CN7B NN2 CN4 NN4
+ 1191 83 372 371 373 382 # CN5 NN2 CN7B HN7
+ 1192 61 372 371 373 376 # CN4 NN2 CN7B HN7
+ 1193 115 372 371 387 391 # CN7 CN7B CN7B HN7
+ 1194 196 372 371 387 389 # HN7 CN7B CN7B ON5
+ 1195 193 372 371 387 388 # HN7 CN7B CN7B HN7
+ 1196 71 373 382 381 379 # CN4 NN3A CN5 NN2
+ 1197 28 373 382 374 383 # CN2 CN5 CN5 NN2
+ 1198 201 373 382 374 375 # NN2 CN5 CN5 NN4
+ 1199 96 373 376 375 374 # CN5 NN4 CN4 NN2
+ 1200 116 373 371 387 391 # CN7 CN7B CN7B NN2
+ 1201 202 373 371 387 389 # NN2 CN7B CN7B ON5
+ 1202 194 373 371 387 388 # HN7 CN7B CN7B NN2
+ 1203 74 374 383 384 385 # CN5 CN2 NN1 HN1
+ 1204 74 374 383 384 386 # CN5 CN2 NN1 HN1
+ 1205 68 374 383 378 379 # CN4 NN3A CN2 CN5
+ 1206 58 374 382 373 376 # CN4 NN2 CN5 CN5
+ 1207 70 374 382 381 379 # CN4 NN3A CN5 CN5
+ 1208 95 374 375 376 377 # CN5 NN4 CN4 HN3
+ 1209 81 375 376 373 382 # CN5 NN2 CN4 NN4
+ 1210 200 375 374 383 384 # NN1 CN2 CN5 NN4
+ 1211 206 375 374 383 378 # NN3A CN2 CN5 NN4
+ 1212 207 375 374 382 381 # NN3A CN5 CN5 NN4
+ 1213 30 376 375 374 383 # CN2 CN5 NN4 CN4
+ 1214 72 376 375 374 382 # CN4 NN4 CN5 CN5
+ 1215 60 376 373 371 387 # CN4 NN2 CN7B CN7B
+ 1216 59 376 373 382 381 # CN4 NN2 CN5 NN3A
+ 1217 80 377 376 373 382 # CN5 NN2 CN4 HN3
+ 1218 171 378 383 384 385 # HN1 NN1 CN2 NN3A
+ 1219 171 378 383 384 386 # HN1 NN1 CN2 NN3A
+ 1220 76 378 383 374 382 # CN5 CN5 CN2 NN3A
+ 1221 92 378 379 381 382 # CN5 NN3A CN4 NN3A
+ 1222 69 379 378 383 384 # CN4 NN3A CN2 NN1
+ 1223 35 380 379 378 383 # CN2 NN3A CN4 HN3
+ 1224 91 380 379 381 382 # CN5 NN3A CN4 HN3
+ 1225 29 381 382 374 383 # CN2 CN5 CN5 NN3A
+ 1226 36 381 379 378 383 # CN2 NN3A CN4 NN3A
+ 1227 75 382 374 383 384 # CN5 CN5 CN2 NN1
+ 1228 82 382 373 371 387 # CN5 NN2 CN7B CN7B
+ 1229 134 387 391 393 394 # CN7B CN7 ON2 P
+ 1230 192 388 387 391 393 # HN7 CN7B CN7 ON2
+ 1231 187 388 387 391 392 # HN7 CN7 CN7B HN7
+ 1232 183 388 387 389 390 # HN5 ON5 CN7B HN7
+ 1233 214 389 387 391 393 # ON2 CN7 CN7B ON5
+ 1234 188 389 387 391 392 # HN7 CN7 CN7B ON5
+ 1235 119 390 389 387 391 # CN7 CN7B ON5 HN5
+ 1236 126 391 393 394 395 # CN7 ON2 P ON3
+ 1237 126 391 393 394 396 # CN7 ON2 P ON3
+ 1238 122 391 393 394 397 # CN7 ON2 P ON2
+ 1239 123 391 393 394 397 # CN7 ON2 P ON2
+ 1240 124 391 393 394 397 # CN7 ON2 P ON2
+ 1241 191 392 391 393 394 # HN7 CN7 ON2 P
+ 1242 160 393 394 397 398 # CN8B ON2 P ON2
+ 1243 161 393 394 397 398 # CN8B ON2 P ON2
+ 1244 162 393 394 397 398 # CN8B ON2 P ON2
+ 1245 121 394 397 398 401 # CN7 CN8B ON2 P
+ 1246 199 394 397 398 399 # HN8 CN8B ON2 P
+ 1247 199 394 397 398 400 # HN8 CN8B ON2 P
+ 1248 164 395 394 397 398 # CN8B ON2 P ON3
+ 1249 164 396 394 397 398 # CN8B ON2 P ON3
+ 1250 215 397 398 401 403 # ON2 CN8B CN7 ON6B
+ 1251 105 397 398 401 425 # CN7 CN7 CN8B ON2
+ 1252 106 397 398 401 425 # CN7 CN7 CN8B ON2
+ 1253 107 397 398 401 425 # CN7 CN7 CN8B ON2
+ 1254 108 397 398 401 425 # CN7 CN7 CN8B ON2
+ 1255 190 397 398 401 402 # HN7 CN7 CN8B ON2
+ 1256 155 398 401 403 404 # CN7B ON6B CN7 CN8B
+ 1257 131 398 401 425 421 # CN7B CN7 CN7 CN8B
+ 1258 158 398 401 425 427 # CN8B CN7 CN7 ON2
+ 1259 159 398 401 425 427 # CN8B CN7 CN7 ON2
+ 1260 157 398 401 425 426 # CN8B CN7 CN7 HN7
+ 1261 198 399 398 401 403 # HN8 CN8B CN7 ON6B
+ 1262 104 399 398 401 425 # CN7 CN7 CN8B HN8
+ 1263 189 399 398 401 402 # HN7 CN7 CN8B HN8
+ 1264 198 400 398 401 403 # HN8 CN8B CN7 ON6B
+ 1265 104 400 398 401 425 # CN7 CN7 CN8B HN8
+ 1266 189 400 398 401 402 # HN7 CN7 CN8B HN8
+ 1267 103 401 425 421 423 # CN7 CN7 CN7B ON5
+ 1268 102 401 425 421 422 # CN7 CN7 CN7B HN7
+ 1269 109 401 425 427 428 # CN7 CN7 ON2 P
+ 1270 110 401 425 427 428 # CN7 CN7 ON2 P
+ 1271 112 401 425 427 428 # CN7 CN7 ON2 P
+ 1272 113 401 425 427 428 # CN7 CN7 ON2 P
+ 1273 130 401 403 404 406 # CN7 ON6B CN7B NN2B
+ 1274 128 401 403 404 405 # CN7 ON6B CN7B HN7
+ 1275 156 402 401 403 404 # CN7B ON6B CN7 HN7
+ 1276 132 402 401 425 421 # CN7B CN7 CN7 HN7
+ 1277 185 402 401 425 427 # HN7 CN7 CN7 ON2
+ 1278 184 402 401 425 426 # HN7 CN7 CN7 HN7
+ 1279 89 403 404 406 407 # CN5 NN2B CN7B ON6B
+ 1280 90 403 404 406 407 # CN5 NN2B CN7B ON6B
+ 1281 67 403 404 406 419 # CN4 NN2B CN7B ON6B
+ 1282 118 403 404 421 425 # CN7 CN7B CN7B ON6B
+ 1283 216 403 404 421 423 # ON5 CN7B CN7B ON6B
+ 1284 197 403 404 421 422 # HN7 CN7B CN7B ON6B
+ 1285 210 403 401 425 427 # ON2 CN7 CN7 ON6B
+ 1286 213 403 401 425 427 # ON2 CN7 CN7 ON6B
+ 1287 186 403 401 425 426 # HN7 CN7 CN7 ON6B
+ 1288 136 404 421 425 427 # CN7B CN7B CN7 ON2
+ 1289 138 404 421 425 427 # CN7B CN7B CN7 ON2
+ 1290 135 404 421 425 426 # CN7B CN7B CN7 HN7
+ 1291 139 404 421 423 424 # CN7B CN7B ON5 HN5
+ 1292 140 404 421 423 424 # CN7B CN7B ON5 HN5
+ 1293 154 404 406 407 411 # CN7B NN2B CN5 NN3G
+ 1294 98 404 406 407 417 # CN5G CN5 NN2B CN7B
+ 1295 152 404 406 419 420 # CN7B NN2B CN4 HN3
+ 1296 153 404 406 419 418 # CN7B NN2B CN4 NN4
+ 1297 88 405 404 406 407 # CN5 NN2B CN7B HN7
+ 1298 66 405 404 406 419 # CN4 NN2B CN7B HN7
+ 1299 115 405 404 421 425 # CN7 CN7B CN7B HN7
+ 1300 196 405 404 421 423 # HN7 CN7B CN7B ON5
+ 1301 193 405 404 421 422 # HN7 CN7B CN7B HN7
+ 1302 100 406 419 418 417 # CN5G NN4 CN4 NN2B
+ 1303 38 406 407 411 412 # CN2 NN3G CN5 NN2B
+ 1304 4 406 407 417 415 # CN1 CN5G CN5 NN2B
+ 1305 203 406 407 417 418 # NN2B CN5 CN5G NN4
+ 1306 117 406 404 421 425 # CN7 CN7B CN7B NN2B
+ 1307 204 406 404 421 423 # NN2B CN7B CN7B ON5
+ 1308 195 406 404 421 422 # HN7 CN7B CN7B NN2B
+ 1309 78 407 417 415 413 # CN5 CN5G CN1 NN2G
+ 1310 79 407 417 415 416 # CN5 CN5G CN1 ON1
+ 1311 73 407 417 418 419 # CN4 NN4 CN5G CN5
+ 1312 93 407 411 412 408 # CN5 NN3G CN2 NN1
+ 1313 94 407 411 412 413 # CN5 NN3G CN2 NN2G
+ 1314 87 407 406 404 421 # CN5 NN2B CN7B CN7B
+ 1315 85 407 406 419 420 # CN5 NN2B CN4 HN3
+ 1316 86 407 406 419 418 # CN5 NN2B CN4 NN4
+ 1317 174 408 412 413 414 # HN2 NN2G CN2 NN1
+ 1318 12 408 412 413 415 # CN1 NN2G CN2 NN1
+ 1319 169 409 408 412 413 # HN1 NN1 CN2 NN2G
+ 1320 172 409 408 412 411 # HN1 NN1 CN2 NN3G
+ 1321 169 410 408 412 413 # HN1 NN1 CN2 NN2G
+ 1322 172 410 408 412 411 # HN1 NN1 CN2 NN3G
+ 1323 175 411 412 413 414 # HN2 NN2G CN2 NN3G
+ 1324 13 411 412 413 415 # CN1 NN2G CN2 NN3G
+ 1325 64 411 407 406 419 # CN4 NN2B CN5 NN3G
+ 1326 5 411 407 417 415 # CN1 CN5G CN5 NN3G
+ 1327 208 411 407 417 418 # NN3G CN5 CN5G NN4
+ 1328 31 412 413 415 417 # CN2 NN2G CN1 CN5G
+ 1329 32 412 413 415 416 # CN2 NN2G CN1 ON1
+ 1330 37 412 411 407 417 # CN2 NN3G CN5 CN5G
+ 1331 205 413 415 417 418 # NN2G CN1 CN5G NN4
+ 1332 97 414 413 415 417 # CN5G CN1 NN2G HN2
+ 1333 173 414 413 415 416 # HN2 NN2G CN1 ON1
+ 1334 6 415 417 418 419 # CN1 CN5G NN4 CN4
+ 1335 209 416 415 417 418 # NN4 CN5G CN1 ON1
+ 1336 99 417 418 419 420 # CN5G NN4 CN4 HN3
+ 1337 63 417 407 406 419 # CN4 NN2B CN5 CN5G
+ 1338 65 419 406 404 421 # CN4 NN2B CN7B CN7B
+ 1339 134 421 425 427 428 # CN7B CN7 ON2 P
+ 1340 192 422 421 425 427 # HN7 CN7B CN7 ON2
+ 1341 187 422 421 425 426 # HN7 CN7 CN7B HN7
+ 1342 183 422 421 423 424 # HN5 ON5 CN7B HN7
+ 1343 214 423 421 425 427 # ON2 CN7 CN7B ON5
+ 1344 188 423 421 425 426 # HN7 CN7 CN7B ON5
+ 1345 119 424 423 421 425 # CN7 CN7B ON5 HN5
+ 1346 126 425 427 428 429 # CN7 ON2 P ON3
+ 1347 126 425 427 428 430 # CN7 ON2 P ON3
+ 1348 122 425 427 428 431 # CN7 ON2 P ON2
+ 1349 123 425 427 428 431 # CN7 ON2 P ON2
+ 1350 124 425 427 428 431 # CN7 ON2 P ON2
+ 1351 191 426 425 427 428 # HN7 CN7 ON2 P
+ 1352 160 427 428 431 432 # CN8B ON2 P ON2
+ 1353 161 427 428 431 432 # CN8B ON2 P ON2
+ 1354 162 427 428 431 432 # CN8B ON2 P ON2
+ 1355 121 428 431 432 435 # CN7 CN8B ON2 P
+ 1356 199 428 431 432 433 # HN8 CN8B ON2 P
+ 1357 199 428 431 432 434 # HN8 CN8B ON2 P
+ 1358 164 429 428 431 432 # CN8B ON2 P ON3
+ 1359 164 430 428 431 432 # CN8B ON2 P ON3
+ 1360 215 431 432 435 437 # ON2 CN8B CN7 ON6B
+ 1361 105 431 432 435 459 # CN7 CN7 CN8B ON2
+ 1362 106 431 432 435 459 # CN7 CN7 CN8B ON2
+ 1363 107 431 432 435 459 # CN7 CN7 CN8B ON2
+ 1364 108 431 432 435 459 # CN7 CN7 CN8B ON2
+ 1365 190 431 432 435 436 # HN7 CN7 CN8B ON2
+ 1366 155 432 435 437 438 # CN7B ON6B CN7 CN8B
+ 1367 131 432 435 459 455 # CN7B CN7 CN7 CN8B
+ 1368 158 432 435 459 461 # CN8B CN7 CN7 ON2
+ 1369 159 432 435 459 461 # CN8B CN7 CN7 ON2
+ 1370 157 432 435 459 460 # CN8B CN7 CN7 HN7
+ 1371 198 433 432 435 437 # HN8 CN8B CN7 ON6B
+ 1372 104 433 432 435 459 # CN7 CN7 CN8B HN8
+ 1373 189 433 432 435 436 # HN7 CN7 CN8B HN8
+ 1374 198 434 432 435 437 # HN8 CN8B CN7 ON6B
+ 1375 104 434 432 435 459 # CN7 CN7 CN8B HN8
+ 1376 189 434 432 435 436 # HN7 CN7 CN8B HN8
+ 1377 103 435 459 455 457 # CN7 CN7 CN7B ON5
+ 1378 102 435 459 455 456 # CN7 CN7 CN7B HN7
+ 1379 109 435 459 461 462 # CN7 CN7 ON2 P
+ 1380 110 435 459 461 462 # CN7 CN7 ON2 P
+ 1381 112 435 459 461 462 # CN7 CN7 ON2 P
+ 1382 113 435 459 461 462 # CN7 CN7 ON2 P
+ 1383 130 435 437 438 440 # CN7 ON6B CN7B NN2B
+ 1384 128 435 437 438 439 # CN7 ON6B CN7B HN7
+ 1385 156 436 435 437 438 # CN7B ON6B CN7 HN7
+ 1386 132 436 435 459 455 # CN7B CN7 CN7 HN7
+ 1387 185 436 435 459 461 # HN7 CN7 CN7 ON2
+ 1388 184 436 435 459 460 # HN7 CN7 CN7 HN7
+ 1389 89 437 438 440 441 # CN5 NN2B CN7B ON6B
+ 1390 90 437 438 440 441 # CN5 NN2B CN7B ON6B
+ 1391 67 437 438 440 453 # CN4 NN2B CN7B ON6B
+ 1392 118 437 438 455 459 # CN7 CN7B CN7B ON6B
+ 1393 216 437 438 455 457 # ON5 CN7B CN7B ON6B
+ 1394 197 437 438 455 456 # HN7 CN7B CN7B ON6B
+ 1395 210 437 435 459 461 # ON2 CN7 CN7 ON6B
+ 1396 213 437 435 459 461 # ON2 CN7 CN7 ON6B
+ 1397 186 437 435 459 460 # HN7 CN7 CN7 ON6B
+ 1398 136 438 455 459 461 # CN7B CN7B CN7 ON2
+ 1399 138 438 455 459 461 # CN7B CN7B CN7 ON2
+ 1400 135 438 455 459 460 # CN7B CN7B CN7 HN7
+ 1401 139 438 455 457 458 # CN7B CN7B ON5 HN5
+ 1402 140 438 455 457 458 # CN7B CN7B ON5 HN5
+ 1403 154 438 440 441 445 # CN7B NN2B CN5 NN3G
+ 1404 98 438 440 441 451 # CN5G CN5 NN2B CN7B
+ 1405 152 438 440 453 454 # CN7B NN2B CN4 HN3
+ 1406 153 438 440 453 452 # CN7B NN2B CN4 NN4
+ 1407 88 439 438 440 441 # CN5 NN2B CN7B HN7
+ 1408 66 439 438 440 453 # CN4 NN2B CN7B HN7
+ 1409 115 439 438 455 459 # CN7 CN7B CN7B HN7
+ 1410 196 439 438 455 457 # HN7 CN7B CN7B ON5
+ 1411 193 439 438 455 456 # HN7 CN7B CN7B HN7
+ 1412 100 440 453 452 451 # CN5G NN4 CN4 NN2B
+ 1413 38 440 441 445 446 # CN2 NN3G CN5 NN2B
+ 1414 4 440 441 451 449 # CN1 CN5G CN5 NN2B
+ 1415 203 440 441 451 452 # NN2B CN5 CN5G NN4
+ 1416 117 440 438 455 459 # CN7 CN7B CN7B NN2B
+ 1417 204 440 438 455 457 # NN2B CN7B CN7B ON5
+ 1418 195 440 438 455 456 # HN7 CN7B CN7B NN2B
+ 1419 78 441 451 449 447 # CN5 CN5G CN1 NN2G
+ 1420 79 441 451 449 450 # CN5 CN5G CN1 ON1
+ 1421 73 441 451 452 453 # CN4 NN4 CN5G CN5
+ 1422 93 441 445 446 442 # CN5 NN3G CN2 NN1
+ 1423 94 441 445 446 447 # CN5 NN3G CN2 NN2G
+ 1424 87 441 440 438 455 # CN5 NN2B CN7B CN7B
+ 1425 85 441 440 453 454 # CN5 NN2B CN4 HN3
+ 1426 86 441 440 453 452 # CN5 NN2B CN4 NN4
+ 1427 174 442 446 447 448 # HN2 NN2G CN2 NN1
+ 1428 12 442 446 447 449 # CN1 NN2G CN2 NN1
+ 1429 169 443 442 446 447 # HN1 NN1 CN2 NN2G
+ 1430 172 443 442 446 445 # HN1 NN1 CN2 NN3G
+ 1431 169 444 442 446 447 # HN1 NN1 CN2 NN2G
+ 1432 172 444 442 446 445 # HN1 NN1 CN2 NN3G
+ 1433 175 445 446 447 448 # HN2 NN2G CN2 NN3G
+ 1434 13 445 446 447 449 # CN1 NN2G CN2 NN3G
+ 1435 64 445 441 440 453 # CN4 NN2B CN5 NN3G
+ 1436 5 445 441 451 449 # CN1 CN5G CN5 NN3G
+ 1437 208 445 441 451 452 # NN3G CN5 CN5G NN4
+ 1438 31 446 447 449 451 # CN2 NN2G CN1 CN5G
+ 1439 32 446 447 449 450 # CN2 NN2G CN1 ON1
+ 1440 37 446 445 441 451 # CN2 NN3G CN5 CN5G
+ 1441 205 447 449 451 452 # NN2G CN1 CN5G NN4
+ 1442 97 448 447 449 451 # CN5G CN1 NN2G HN2
+ 1443 173 448 447 449 450 # HN2 NN2G CN1 ON1
+ 1444 6 449 451 452 453 # CN1 CN5G NN4 CN4
+ 1445 209 450 449 451 452 # NN4 CN5G CN1 ON1
+ 1446 99 451 452 453 454 # CN5G NN4 CN4 HN3
+ 1447 63 451 441 440 453 # CN4 NN2B CN5 CN5G
+ 1448 65 453 440 438 455 # CN4 NN2B CN7B CN7B
+ 1449 134 455 459 461 462 # CN7B CN7 ON2 P
+ 1450 192 456 455 459 461 # HN7 CN7B CN7 ON2
+ 1451 187 456 455 459 460 # HN7 CN7 CN7B HN7
+ 1452 183 456 455 457 458 # HN5 ON5 CN7B HN7
+ 1453 214 457 455 459 461 # ON2 CN7 CN7B ON5
+ 1454 188 457 455 459 460 # HN7 CN7 CN7B ON5
+ 1455 119 458 457 455 459 # CN7 CN7B ON5 HN5
+ 1456 126 459 461 462 463 # CN7 ON2 P ON3
+ 1457 126 459 461 462 464 # CN7 ON2 P ON3
+ 1458 122 459 461 462 465 # CN7 ON2 P ON2
+ 1459 123 459 461 462 465 # CN7 ON2 P ON2
+ 1460 124 459 461 462 465 # CN7 ON2 P ON2
+ 1461 191 460 459 461 462 # HN7 CN7 ON2 P
+ 1462 160 461 462 465 466 # CN8B ON2 P ON2
+ 1463 161 461 462 465 466 # CN8B ON2 P ON2
+ 1464 162 461 462 465 466 # CN8B ON2 P ON2
+ 1465 121 462 465 466 469 # CN7 CN8B ON2 P
+ 1466 199 462 465 466 467 # HN8 CN8B ON2 P
+ 1467 199 462 465 466 468 # HN8 CN8B ON2 P
+ 1468 164 463 462 465 466 # CN8B ON2 P ON3
+ 1469 164 464 462 465 466 # CN8B ON2 P ON3
+ 1470 215 465 466 469 471 # ON2 CN8B CN7 ON6B
+ 1471 105 465 466 469 492 # CN7 CN7 CN8B ON2
+ 1472 106 465 466 469 492 # CN7 CN7 CN8B ON2
+ 1473 107 465 466 469 492 # CN7 CN7 CN8B ON2
+ 1474 108 465 466 469 492 # CN7 CN7 CN8B ON2
+ 1475 190 465 466 469 470 # HN7 CN7 CN8B ON2
+ 1476 155 466 469 471 472 # CN7B ON6B CN7 CN8B
+ 1477 131 466 469 492 488 # CN7B CN7 CN7 CN8B
+ 1478 158 466 469 492 494 # CN8B CN7 CN7 ON2
+ 1479 159 466 469 492 494 # CN8B CN7 CN7 ON2
+ 1480 157 466 469 492 493 # CN8B CN7 CN7 HN7
+ 1481 198 467 466 469 471 # HN8 CN8B CN7 ON6B
+ 1482 104 467 466 469 492 # CN7 CN7 CN8B HN8
+ 1483 189 467 466 469 470 # HN7 CN7 CN8B HN8
+ 1484 198 468 466 469 471 # HN8 CN8B CN7 ON6B
+ 1485 104 468 466 469 492 # CN7 CN7 CN8B HN8
+ 1486 189 468 466 469 470 # HN7 CN7 CN8B HN8
+ 1487 103 469 492 488 490 # CN7 CN7 CN7B ON5
+ 1488 102 469 492 488 489 # CN7 CN7 CN7B HN7
+ 1489 109 469 492 494 495 # CN7 CN7 ON2 P
+ 1490 110 469 492 494 495 # CN7 CN7 ON2 P
+ 1491 112 469 492 494 495 # CN7 CN7 ON2 P
+ 1492 113 469 492 494 495 # CN7 CN7 ON2 P
+ 1493 129 469 471 472 474 # CN7 ON6B CN7B NN2
+ 1494 128 469 471 472 473 # CN7 ON6B CN7B HN7
+ 1495 156 470 469 471 472 # CN7B ON6B CN7 HN7
+ 1496 132 470 469 492 488 # CN7B CN7 CN7 HN7
+ 1497 185 470 469 492 494 # HN7 CN7 CN7 ON2
+ 1498 184 470 469 492 493 # HN7 CN7 CN7 HN7
+ 1499 84 471 472 474 483 # CN5 NN2 CN7B ON6B
+ 1500 62 471 472 474 477 # CN4 NN2 CN7B ON6B
+ 1501 118 471 472 488 492 # CN7 CN7B CN7B ON6B
+ 1502 216 471 472 488 490 # ON5 CN7B CN7B ON6B
+ 1503 197 471 472 488 489 # HN7 CN7B CN7B ON6B
+ 1504 210 471 469 492 494 # ON2 CN7 CN7 ON6B
+ 1505 213 471 469 492 494 # ON2 CN7 CN7 ON6B
+ 1506 186 471 469 492 493 # HN7 CN7 CN7 ON6B
+ 1507 136 472 488 492 494 # CN7B CN7B CN7 ON2
+ 1508 138 472 488 492 494 # CN7B CN7B CN7 ON2
+ 1509 135 472 488 492 493 # CN7B CN7B CN7 HN7
+ 1510 139 472 488 490 491 # CN7B CN7B ON5 HN5
+ 1511 140 472 488 490 491 # CN7B CN7B ON5 HN5
+ 1512 148 472 474 483 482 # CN7B NN2 CN5 NN3A
+ 1513 77 472 474 483 475 # CN5 CN5 NN2 CN7B
+ 1514 146 472 474 477 478 # CN7B NN2 CN4 HN3
+ 1515 147 472 474 477 476 # CN7B NN2 CN4 NN4
+ 1516 83 473 472 474 483 # CN5 NN2 CN7B HN7
+ 1517 61 473 472 474 477 # CN4 NN2 CN7B HN7
+ 1518 115 473 472 488 492 # CN7 CN7B CN7B HN7
+ 1519 196 473 472 488 490 # HN7 CN7B CN7B ON5
+ 1520 193 473 472 488 489 # HN7 CN7B CN7B HN7
+ 1521 71 474 483 482 480 # CN4 NN3A CN5 NN2
+ 1522 28 474 483 475 484 # CN2 CN5 CN5 NN2
+ 1523 201 474 483 475 476 # NN2 CN5 CN5 NN4
+ 1524 96 474 477 476 475 # CN5 NN4 CN4 NN2
+ 1525 116 474 472 488 492 # CN7 CN7B CN7B NN2
+ 1526 202 474 472 488 490 # NN2 CN7B CN7B ON5
+ 1527 194 474 472 488 489 # HN7 CN7B CN7B NN2
+ 1528 74 475 484 485 486 # CN5 CN2 NN1 HN1
+ 1529 74 475 484 485 487 # CN5 CN2 NN1 HN1
+ 1530 68 475 484 479 480 # CN4 NN3A CN2 CN5
+ 1531 58 475 483 474 477 # CN4 NN2 CN5 CN5
+ 1532 70 475 483 482 480 # CN4 NN3A CN5 CN5
+ 1533 95 475 476 477 478 # CN5 NN4 CN4 HN3
+ 1534 81 476 477 474 483 # CN5 NN2 CN4 NN4
+ 1535 200 476 475 484 485 # NN1 CN2 CN5 NN4
+ 1536 206 476 475 484 479 # NN3A CN2 CN5 NN4
+ 1537 207 476 475 483 482 # NN3A CN5 CN5 NN4
+ 1538 30 477 476 475 484 # CN2 CN5 NN4 CN4
+ 1539 72 477 476 475 483 # CN4 NN4 CN5 CN5
+ 1540 60 477 474 472 488 # CN4 NN2 CN7B CN7B
+ 1541 59 477 474 483 482 # CN4 NN2 CN5 NN3A
+ 1542 80 478 477 474 483 # CN5 NN2 CN4 HN3
+ 1543 171 479 484 485 486 # HN1 NN1 CN2 NN3A
+ 1544 171 479 484 485 487 # HN1 NN1 CN2 NN3A
+ 1545 76 479 484 475 483 # CN5 CN5 CN2 NN3A
+ 1546 92 479 480 482 483 # CN5 NN3A CN4 NN3A
+ 1547 69 480 479 484 485 # CN4 NN3A CN2 NN1
+ 1548 35 481 480 479 484 # CN2 NN3A CN4 HN3
+ 1549 91 481 480 482 483 # CN5 NN3A CN4 HN3
+ 1550 29 482 483 475 484 # CN2 CN5 CN5 NN3A
+ 1551 36 482 480 479 484 # CN2 NN3A CN4 NN3A
+ 1552 75 483 475 484 485 # CN5 CN5 CN2 NN1
+ 1553 82 483 474 472 488 # CN5 NN2 CN7B CN7B
+ 1554 134 488 492 494 495 # CN7B CN7 ON2 P
+ 1555 192 489 488 492 494 # HN7 CN7B CN7 ON2
+ 1556 187 489 488 492 493 # HN7 CN7 CN7B HN7
+ 1557 183 489 488 490 491 # HN5 ON5 CN7B HN7
+ 1558 214 490 488 492 494 # ON2 CN7 CN7B ON5
+ 1559 188 490 488 492 493 # HN7 CN7 CN7B ON5
+ 1560 119 491 490 488 492 # CN7 CN7B ON5 HN5
+ 1561 126 492 494 495 496 # CN7 ON2 P ON3
+ 1562 126 492 494 495 497 # CN7 ON2 P ON3
+ 1563 122 492 494 495 498 # CN7 ON2 P ON2
+ 1564 123 492 494 495 498 # CN7 ON2 P ON2
+ 1565 124 492 494 495 498 # CN7 ON2 P ON2
+ 1566 191 493 492 494 495 # HN7 CN7 ON2 P
+ 1567 160 494 495 498 499 # CN8B ON2 P ON2
+ 1568 161 494 495 498 499 # CN8B ON2 P ON2
+ 1569 162 494 495 498 499 # CN8B ON2 P ON2
+ 1570 121 495 498 499 502 # CN7 CN8B ON2 P
+ 1571 199 495 498 499 500 # HN8 CN8B ON2 P
+ 1572 199 495 498 499 501 # HN8 CN8B ON2 P
+ 1573 164 496 495 498 499 # CN8B ON2 P ON3
+ 1574 164 497 495 498 499 # CN8B ON2 P ON3
+ 1575 215 498 499 502 504 # ON2 CN8B CN7 ON6B
+ 1576 105 498 499 502 525 # CN7 CN7 CN8B ON2
+ 1577 106 498 499 502 525 # CN7 CN7 CN8B ON2
+ 1578 107 498 499 502 525 # CN7 CN7 CN8B ON2
+ 1579 108 498 499 502 525 # CN7 CN7 CN8B ON2
+ 1580 190 498 499 502 503 # HN7 CN7 CN8B ON2
+ 1581 155 499 502 504 505 # CN7B ON6B CN7 CN8B
+ 1582 131 499 502 525 521 # CN7B CN7 CN7 CN8B
+ 1583 158 499 502 525 527 # CN8B CN7 CN7 ON2
+ 1584 159 499 502 525 527 # CN8B CN7 CN7 ON2
+ 1585 157 499 502 525 526 # CN8B CN7 CN7 HN7
+ 1586 198 500 499 502 504 # HN8 CN8B CN7 ON6B
+ 1587 104 500 499 502 525 # CN7 CN7 CN8B HN8
+ 1588 189 500 499 502 503 # HN7 CN7 CN8B HN8
+ 1589 198 501 499 502 504 # HN8 CN8B CN7 ON6B
+ 1590 104 501 499 502 525 # CN7 CN7 CN8B HN8
+ 1591 189 501 499 502 503 # HN7 CN7 CN8B HN8
+ 1592 103 502 525 521 523 # CN7 CN7 CN7B ON5
+ 1593 102 502 525 521 522 # CN7 CN7 CN7B HN7
+ 1594 130 502 504 505 507 # CN7 ON6B CN7B NN2B
+ 1595 128 502 504 505 506 # CN7 ON6B CN7B HN7
+ 1596 156 503 502 504 505 # CN7B ON6B CN7 HN7
+ 1597 132 503 502 525 521 # CN7B CN7 CN7 HN7
+ 1598 185 503 502 525 527 # HN7 CN7 CN7 ON2
+ 1599 184 503 502 525 526 # HN7 CN7 CN7 HN7
+ 1600 22 504 505 507 510 # CN1T NN2B CN7B ON6B
+ 1601 23 504 505 507 510 # CN1T NN2B CN7B ON6B
+ 1602 55 504 505 507 508 # CN3 NN2B CN7B ON6B
+ 1603 118 504 505 521 525 # CN7 CN7B CN7B ON6B
+ 1604 216 504 505 521 523 # ON5 CN7B CN7B ON6B
+ 1605 197 504 505 521 522 # HN7 CN7B CN7B ON6B
+ 1606 210 504 502 525 527 # ON2 CN7 CN7 ON6B
+ 1607 213 504 502 525 527 # ON2 CN7 CN7 ON6B
+ 1608 186 504 502 525 526 # HN7 CN7 CN7 ON6B
+ 1609 136 505 521 525 527 # CN7B CN7B CN7 ON2
+ 1610 138 505 521 525 527 # CN7B CN7B CN7 ON2
+ 1611 135 505 521 525 526 # CN7B CN7B CN7 HN7
+ 1612 139 505 521 523 524 # CN7B CN7B ON5 HN5
+ 1613 140 505 521 523 524 # CN7B CN7B ON5 HN5
+ 1614 149 505 507 510 512 # CN7B NN2B CN1T NN2U
+ 1615 150 505 507 510 511 # CN7B NN2B CN1T ON1
+ 1616 151 505 507 508 509 # CN7B NN2B CN3 HN3
+ 1617 57 505 507 508 516 # CN3T CN3 NN2B CN7B
+ 1618 21 506 505 507 510 # CN1T NN2B CN7B HN7
+ 1619 54 506 505 507 508 # CN3 NN2B CN7B HN7
+ 1620 115 506 505 521 525 # CN7 CN7B CN7B HN7
+ 1621 196 506 505 521 523 # HN7 CN7B CN7B ON5
+ 1622 193 506 505 521 522 # HN7 CN7B CN7B HN7
+ 1623 177 507 510 512 513 # HN2 NN2U CN1T NN2B
+ 1624 14 507 510 512 514 # CN1 NN2U CN1T NN2B
+ 1625 2 507 508 516 514 # CN1 CN3T CN3 NN2B
+ 1626 168 507 508 516 517 # CN9 CN3T CN3 NN2B
+ 1627 117 507 505 521 525 # CN7 CN7B CN7B NN2B
+ 1628 204 507 505 521 523 # NN2B CN7B CN7B ON5
+ 1629 195 507 505 521 522 # HN7 CN7B CN7B NN2B
+ 1630 43 508 516 514 512 # CN3 CN3T CN1 NN2U
+ 1631 44 508 516 514 515 # CN3 CN3T CN1 ON1
+ 1632 45 508 516 517 518 # CN3 CN3T CN9 HN9
+ 1633 45 508 516 517 519 # CN3 CN3T CN9 HN9
+ 1634 45 508 516 517 520 # CN3 CN3T CN9 HN9
+ 1635 53 508 507 505 521 # CN3 NN2B CN7B CN7B
+ 1636 51 508 507 510 512 # CN3 NN2B CN1T NN2U
+ 1637 52 508 507 510 511 # CN3 NN2B CN1T ON1
+ 1638 19 509 508 507 510 # CN1T NN2B CN3 HN3
+ 1639 1 509 508 516 514 # CN1 CN3T CN3 HN3
+ 1640 167 509 508 516 517 # CN9 CN3T CN3 HN3
+ 1641 24 510 512 514 516 # CN1T NN2U CN1 CN3T
+ 1642 25 510 512 514 515 # CN1T NN2U CN1 ON1
+ 1643 20 510 507 505 521 # CN1T NN2B CN7B CN7B
+ 1644 18 510 507 508 516 # CN1T NN2B CN3 CN3T
+ 1645 178 511 510 512 513 # HN2 NN2U CN1T ON1
+ 1646 15 511 510 512 514 # CN1 NN2U CN1T ON1
+ 1647 165 512 514 516 517 # CN9 CN3T CN1 NN2U
+ 1648 56 513 512 514 516 # CN3T CN1 NN2U HN2
+ 1649 176 513 512 514 515 # HN2 NN2U CN1 ON1
+ 1650 3 514 516 517 518 # CN1 CN3T CN9 HN9
+ 1651 3 514 516 517 519 # CN1 CN3T CN9 HN9
+ 1652 3 514 516 517 520 # CN1 CN3T CN9 HN9
+ 1653 166 515 514 516 517 # CN9 CN3T CN1 ON1
+ 1654 192 522 521 525 527 # HN7 CN7B CN7 ON2
+ 1655 187 522 521 525 526 # HN7 CN7 CN7B HN7
+ 1656 183 522 521 523 524 # HN5 ON5 CN7B HN7
+ 1657 214 523 521 525 527 # ON2 CN7 CN7B ON5
+ 1658 188 523 521 525 526 # HN7 CN7 CN7B ON5
+ 1659 119 524 523 521 525 # CN7 CN7B ON5 HN5
+
+Improper Coeffs
+
+ 1 80 0 # CN1 NN2 NN3 ON1C
+ 2 90 0 # CN1 NN2G CN5G ON1
+ 3 90 0 # CN1 NN2U CN3T ON1
+ 4 110 0 # CN1T NN2B NN2U ON1
+ 5 60 0 # CN2 NN3 CN3 NN1
+ 6 40 0 # CN2 NN3A CN5 NN1
+ 7 40 0 # CN2 NN3G NN2G NN1
+ 8 14 0 # CN3T CN1 CN3 CN9
+ 9 4 0 # HN1 CN2 HN1 NN1
+ 10 6 0 # HN1 HN1 CN2 NN1
+
+Impropers
+
+ 1 6 23 18 14 24 # CN2 NN3A CN5 NN1
+ 2 10 24 23 25 26 # HN1 HN1 CN2 NN1
+ 3 4 49 46 51 50 # CN1T NN2B NN2U ON1
+ 4 3 53 51 55 54 # CN1 NN2U CN3T ON1
+ 5 8 55 53 47 56 # CN3T CN1 CN3 CN9
+ 6 1 84 79 86 85 # CN1 NN2 NN3 ON1C
+ 7 5 87 86 82 88 # CN2 NN3 CN3 NN1
+ 8 10 88 87 89 90 # HN1 HN1 CN2 NN1
+ 9 1 115 110 117 116 # CN1 NN2 NN3 ON1C
+ 10 5 118 117 113 119 # CN2 NN3 CN3 NN1
+ 11 10 119 118 120 121 # HN1 HN1 CN2 NN1
+ 12 4 144 141 146 145 # CN1T NN2B NN2U ON1
+ 13 3 148 146 150 149 # CN1 NN2U CN3T ON1
+ 14 8 150 148 142 151 # CN3T CN1 CN3 CN9
+ 15 6 184 179 175 185 # CN2 NN3A CN5 NN1
+ 16 10 185 184 186 187 # HN1 HN1 CN2 NN1
+ 17 9 209 210 213 211 # HN1 CN2 HN1 NN1
+ 18 7 213 212 214 209 # CN2 NN3G NN2G NN1
+ 19 2 216 214 218 217 # CN1 NN2G CN5G ON1
+ 20 4 244 241 246 245 # CN1T NN2B NN2U ON1
+ 21 3 248 246 250 249 # CN1 NN2U CN3T ON1
+ 22 8 250 248 242 251 # CN3T CN1 CN3 CN9
+ 23 4 277 274 279 278 # CN1T NN2B NN2U ON1
+ 24 3 281 279 283 282 # CN1 NN2U CN3T ON1
+ 25 8 283 281 275 284 # CN3T CN1 CN3 CN9
+ 26 6 317 312 308 318 # CN2 NN3A CN5 NN1
+ 27 10 318 317 319 320 # HN1 HN1 CN2 NN1
+ 28 4 343 340 345 344 # CN1T NN2B NN2U ON1
+ 29 3 347 345 349 348 # CN1 NN2U CN3T ON1
+ 30 8 349 347 341 350 # CN3T CN1 CN3 CN9
+ 31 6 383 378 374 384 # CN2 NN3A CN5 NN1
+ 32 10 384 383 385 386 # HN1 HN1 CN2 NN1
+ 33 9 408 409 412 410 # HN1 CN2 HN1 NN1
+ 34 7 412 411 413 408 # CN2 NN3G NN2G NN1
+ 35 2 415 413 417 416 # CN1 NN2G CN5G ON1
+ 36 9 442 443 446 444 # HN1 CN2 HN1 NN1
+ 37 7 446 445 447 442 # CN2 NN3G NN2G NN1
+ 38 2 449 447 451 450 # CN1 NN2G CN5G ON1
+ 39 6 484 479 475 485 # CN2 NN3A CN5 NN1
+ 40 10 485 484 486 487 # HN1 HN1 CN2 NN1
+ 41 4 510 507 512 511 # CN1T NN2B NN2U ON1
+ 42 3 514 512 516 515 # CN1 NN2U CN3T ON1
+ 43 8 516 514 508 517 # CN3T CN1 CN3 CN9
+
diff --git a/tools/ch2lmp/example/1ac7.dump b/tools/ch2lmp/example/1ac7.dump
new file mode 100644
index 0000000000..4e51ee51ad
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7.dump
@@ -0,0 +1,5931 @@
+ITEM: TIMESTEP
+0
+ITEM: NUMBER OF ATOMS
+1968
+ITEM: BOX BOUNDS
+-14.087 10.545
+-1.88253 22.7495
+-5.44214 33.9691
+ITEM: ATOMS
+1 37 0.724504 0.0949789 0.140014 0 0 0
+2 34 0.684719 0.0877526 0.142425 0 0 0
+3 34 0.75414 0.0681034 0.144328 0 0 0
+4 33 0.73303 0.156484 0.128114 0 0 0
+5 19 0.776672 0.168948 0.105354 0 0 0
+6 7 0.761529 0.169394 0.0796001 0 0 0
+7 7 0.808013 0.137363 0.107917 0 0 0
+8 17 0.801193 0.224647 0.112002 0 0 0
+9 6 0.841709 0.226393 0.10099 0 0 0
+10 36 0.768025 0.266991 0.0970063 0 0 0
+11 18 0.75004 0.303975 0.123141 0 0 0
+12 6 0.774033 0.341081 0.121898 0 0 0
+13 22 0.692067 0.317575 0.119183 0 0 0
+14 15 0.615053 0.362111 0.113372 0 0 0
+15 29 0.601534 0.306979 0.112053 0 0 0
+16 14 0.648506 0.284407 0.115656 0 0 0
+17 4 0.652971 0.240359 0.115884 0 0 0
+18 27 0.610466 0.457231 0.113448 0 0 0
+19 14 0.664176 0.458327 0.117711 0 0 0
+20 4 0.68277 0.498315 0.119563 0 0 0
+21 27 0.697385 0.416024 0.120121 0 0 0
+22 15 0.670022 0.368809 0.117736 0 0 0
+23 11 0.583996 0.40961 0.111114 0 0 0
+24 21 0.530408 0.409488 0.106724 0 0 0
+25 2 0.509946 0.444929 0.105253 0 0 0
+26 2 0.51019 0.373924 0.104872 0 0 0
+27 18 0.760514 0.276084 0.156532 0 0 0
+28 6 0.774439 0.305761 0.175106 0 0 0
+29 35 0.778377 0.31721 0.179216 0 0 0
+30 5 0.723773 0.254974 0.165032 0 0 0
+31 17 0.804725 0.235974 0.149935 0 0 0
+32 6 0.797052 0.198746 0.164195 0 0 0
+33 33 0.856527 0.258222 0.158968 0 0 0
+34 37 0.870858 0.271538 0.197916 0 0 0
+35 34 0.93074 0.27032 0.202281 0 0 0
+36 34 0.836391 0.237273 0.220245 0 0 0
+37 33 0.850438 0.333408 0.200352 0 0 0
+38 19 0.867286 0.372666 0.175639 0 0 0
+39 7 0.848124 0.363613 0.151585 0 0 0
+40 7 0.911618 0.370068 0.172873 0 0 0
+41 17 0.850925 0.430396 0.185001 0 0 0
+42 6 0.876623 0.458814 0.171224 0 0 0
+43 36 0.794616 0.44091 0.176324 0 0 0
+44 18 0.765467 0.458651 0.206188 0 0 0
+45 6 0.761286 0.5027 0.205402 0 0 0
+46 23 0.710863 0.433643 0.207787 0 0 0
+47 12 0.70449 0.378553 0.210451 0 0 0
+48 4 0.739972 0.353057 0.213749 0 0 0
+49 10 0.666775 0.467745 0.204717 0 0 0
+50 31 0.671687 0.517315 0.202839 0 0 0
+51 24 0.616515 0.442981 0.204209 0 0 0
+52 3 0.584402 0.467177 0.201748 0 0 0
+53 9 0.606447 0.387931 0.206518 0 0 0
+54 31 0.559638 0.370474 0.205605 0 0 0
+55 13 0.65492 0.355371 0.209817 0 0 0
+56 20 0.65017 0.293785 0.211923 0 0 0
+57 8 0.621143 0.282864 0.231409 0 0 0
+58 8 0.689753 0.276409 0.218012 0 0 0
+59 8 0.636408 0.277952 0.187818 0 0 0
+60 18 0.8003 0.443346 0.236154 0 0 0
+61 6 0.797783 0.47489 0.255565 0 0 0
+62 35 0.794779 0.486217 0.260031 0 0 0
+63 5 0.788039 0.403601 0.246075 0 0 0
+64 17 0.857096 0.440464 0.22296 0 0 0
+65 6 0.878531 0.406565 0.234708 0 0 0
+66 33 0.88527 0.490358 0.229329 0 0 0
+67 37 0.895866 0.510697 0.26749 0 0 0
+68 34 0.948643 0.539765 0.268759 0 0 0
+69 34 0.886001 0.464903 0.291189 0 0 0
+70 33 0.847515 0.554177 0.271373 0 0 0
+71 19 0.844713 0.600296 0.249222 0 0 0
+72 7 0.837162 0.586655 0.223569 0 0 0
+73 7 0.883931 0.62165 0.250236 0 0 0
+74 17 0.79896 0.639351 0.258331 0 0 0
+75 6 0.803669 0.676416 0.243563 0 0 0
+76 36 0.746143 0.615967 0.250998 0 0 0
+77 18 0.712569 0.617956 0.281116 0 0 0
+78 6 0.685206 0.652586 0.279289 0 0 0
+79 22 0.680375 0.567575 0.284998 0 0 0
+80 12 0.705139 0.518492 0.289185 0 0 0
+81 4 0.749106 0.516503 0.291138 0 0 0
+82 12 0.675787 0.472658 0.291468 0 0 0
+83 4 0.695274 0.433237 0.294488 0 0 0
+84 9 0.624431 0.572 0.283247 0 0 0
+85 32 0.602874 0.616698 0.279873 0 0 0
+86 26 0.594552 0.525922 0.285582 0 0 0
+87 11 0.618179 0.477448 0.289515 0 0 0
+88 21 0.587285 0.433197 0.291443 0 0 0
+89 2 0.60462 0.396334 0.29431 0 0 0
+90 2 0.546484 0.436485 0.290098 0 0 0
+91 18 0.750811 0.626603 0.310524 0 0 0
+92 6 0.731852 0.653479 0.329249 0 0 0
+93 35 0.723449 0.66172 0.333461 0 0 0
+94 5 0.76226 0.587549 0.321688 0 0 0
+95 17 0.799894 0.653763 0.295934 0 0 0
+96 6 0.836513 0.63728 0.307707 0 0 0
+97 33 0.797417 0.71133 0.300679 0 0 0
+98 37 0.796727 0.73715 0.338079 0 0 0
+99 34 0.822669 0.791551 0.336887 0 0 0
+100 34 0.816823 0.696187 0.362666 0 0 0
+101 33 0.732461 0.744742 0.343179 0 0 0
+102 19 0.700065 0.76703 0.316334 0 0 0
+103 7 0.698238 0.738368 0.295604 0 0 0
+104 7 0.719348 0.804826 0.307631 0 0 0
+105 17 0.641807 0.778316 0.327093 0 0 0
+106 6 0.625528 0.811038 0.311513 0 0 0
+107 36 0.607949 0.730574 0.322805 0 0 0
+108 18 0.581317 0.717988 0.354547 0 0 0
+109 6 0.539786 0.733091 0.353709 0 0 0
+110 22 0.580627 0.658716 0.360915 0 0 0
+111 12 0.62772 0.630338 0.36561 0 0 0
+112 4 0.666369 0.65149 0.365204 0 0 0
+113 12 0.626745 0.576303 0.370735 0 0 0
+114 4 0.664136 0.553365 0.374414 0 0 0
+115 9 0.53057 0.633099 0.361372 0 0 0
+116 32 0.488673 0.659366 0.357211 0 0 0
+117 26 0.529311 0.578617 0.366523 0 0 0
+118 11 0.575065 0.550118 0.37109 0 0 0
+119 21 0.572304 0.496529 0.375886 0 0 0
+120 2 0.606609 0.47485 0.379184 0 0 0
+121 2 0.535969 0.47757 0.376241 0 0 0
+122 18 0.612171 0.748112 0.381722 0 0 0
+123 6 0.583793 0.763458 0.400701 0 0 0
+124 35 0.57271 0.766584 0.405344 0 0 0
+125 5 0.642984 0.721764 0.393064 0 0 0
+126 17 0.638803 0.79488 0.364265 0 0 0
+127 6 0.679725 0.800564 0.374313 0 0 0
+128 33 0.607665 0.843394 0.368604 0 0 0
+129 37 0.598165 0.867915 0.405877 0 0 0
+130 34 0.594673 0.927959 0.403416 0 0 0
+131 34 0.63791 0.843069 0.429551 0 0 0
+132 33 0.538811 0.844003 0.413844 0 0 0
+133 19 0.493626 0.858862 0.392861 0 0 0
+134 7 0.503126 0.849849 0.366675 0 0 0
+135 7 0.486603 0.902666 0.395753 0 0 0
+136 17 0.441986 0.827764 0.401488 0 0 0
+137 6 0.410564 0.838604 0.383244 0 0 0
+138 36 0.450552 0.769466 0.400092 0 0 0
+139 18 0.433461 0.745189 0.431758 0 0 0
+140 6 0.392904 0.7283 0.428586 0 0 0
+141 23 0.471135 0.701465 0.442364 0 0 0
+142 12 0.525089 0.711533 0.44754 0 0 0
+143 4 0.539826 0.753105 0.446297 0 0 0
+144 10 0.450106 0.649541 0.445003 0 0 0
+145 31 0.401551 0.63996 0.441121 0 0 0
+146 24 0.486887 0.608943 0.452793 0 0 0
+147 3 0.472475 0.570985 0.454543 0 0 0
+148 9 0.541775 0.615561 0.458147 0 0 0
+149 31 0.570599 0.5761 0.464718 0 0 0
+150 13 0.560166 0.671098 0.455051 0 0 0
+151 20 0.62025 0.684049 0.459542 0 0 0
+152 8 0.634824 0.666308 0.483012 0 0 0
+153 8 0.626015 0.727894 0.460151 0 0 0
+154 8 0.642984 0.667079 0.438584 0 0 0
+155 18 0.431228 0.790698 0.457258 0 0 0
+156 6 0.397085 0.784243 0.474639 0 0 0
+157 35 0.385962 0.779656 0.478521 0 0 0
+158 5 0.469958 0.793419 0.470884 0 0 0
+159 17 0.422053 0.841445 0.43701 0 0 0
+160 6 0.446208 0.874573 0.447566 0 0 0
+161 33 0.365785 0.855857 0.436503 0 0 0
+162 37 0.340817 0.895237 0.464947 0 0 0
+163 34 0.300585 0.931897 0.448758 0 0 0
+164 34 0.38584 0.918905 0.485144 0 0 0
+165 33 0.309192 0.851595 0.487859 0 0 0
+166 19 0.265752 0.820132 0.473827 0 0 0
+167 7 0.27915 0.801091 0.45056 0 0 0
+168 7 0.231447 0.847413 0.468473 0 0 0
+169 17 0.247727 0.774825 0.497425 0 0 0
+170 6 0.207576 0.760819 0.489838 0 0 0
+171 36 0.28528 0.729396 0.49608 0 0 0
+172 18 0.302899 0.716649 0.530055 0 0 0
+173 6 0.277932 0.683521 0.539773 0 0 0
+174 22 0.360548 0.700044 0.531349 0 0 0
+175 15 0.434679 0.650962 0.537489 0 0 0
+176 29 0.452176 0.704875 0.535485 0 0 0
+177 14 0.406666 0.73033 0.531932 0 0 0
+178 4 0.405448 0.774297 0.529395 0 0 0
+179 27 0.432202 0.556207 0.54231 0 0 0
+180 14 0.378289 0.558805 0.539392 0 0 0
+181 4 0.356488 0.520441 0.539925 0 0 0
+182 27 0.348247 0.602935 0.535637 0 0 0
+183 15 0.379101 0.647917 0.534876 0 0 0
+184 11 0.462244 0.601717 0.541524 0 0 0
+185 21 0.515914 0.598307 0.545203 0 0 0
+186 2 0.533696 0.561607 0.548045 0 0 0
+187 2 0.538771 0.632328 0.545203 0 0 0
+188 18 0.292181 0.766624 0.551013 0 0 0
+189 6 0.281139 0.755013 0.576818 0 0 0
+190 35 0.277323 0.748071 0.583872 0 0 0
+191 5 0.327745 0.793337 0.550683 0 0 0
+192 17 0.245454 0.794474 0.534115 0 0 0
+193 6 0.251056 0.838441 0.535079 0 0 0
+194 33 0.19495 0.779494 0.549669 0 0 0
+195 37 0.172297 0.811444 0.582299 0 0 0
+196 34 0.116029 0.829956 0.575169 0 0 0
+197 34 0.213503 0.851838 0.59326 0 0 0
+198 33 0.170105 0.76293 0.609651 0 0 0
+199 19 0.158737 0.708123 0.5994 0 0 0
+200 7 0.176275 0.700856 0.574687 0 0 0
+201 7 0.114364 0.702683 0.5977 0 0 0
+202 17 0.183745 0.665983 0.623353 0 0 0
+203 6 0.164908 0.626766 0.618532 0 0 0
+204 36 0.241719 0.661233 0.617314 0 0 0
+205 18 0.271071 0.670692 0.648574 0 0 0
+206 6 0.284346 0.631962 0.658977 0 0 0
+207 23 0.318854 0.705687 0.642916 0 0 0
+208 15 0.372524 0.689773 0.643601 0 0 0
+209 21 0.469998 0.588645 0.653827 0 0 0
+210 2 0.510961 0.586534 0.653141 0 0 0
+211 2 0.447954 0.554868 0.658368 0 0 0
+212 28 0.390914 0.638864 0.649488 0 0 0
+213 11 0.445112 0.635981 0.648574 0 0 0
+214 25 0.478321 0.679989 0.642358 0 0 0
+215 3 0.518918 0.674427 0.64218 0 0 0
+216 9 0.460499 0.732603 0.636217 0 0 0
+217 31 0.493464 0.769019 0.630838 0 0 0
+218 16 0.402931 0.736054 0.637131 0 0 0
+219 29 0.368992 0.780955 0.632386 0 0 0
+220 14 0.321493 0.759641 0.636167 0 0 0
+221 4 0.284833 0.784162 0.634187 0 0 0
+222 18 0.231569 0.696837 0.672806 0 0 0
+223 6 0.23843 0.681288 0.698484 0 0 0
+224 35 0.242937 0.674468 0.705284 0 0 0
+225 5 0.235507 0.741129 0.671816 0 0 0
+226 17 0.176316 0.680436 0.660982 0 0 0
+227 6 0.148507 0.714578 0.664001 0 0 0
+228 33 0.157235 0.63452 0.67986 0 0 0
+229 37 0.146842 0.639148 0.719975 0 0 0
+230 34 0.09845 0.606183 0.728957 0 0 0
+231 34 0.14875 0.697243 0.729947 0 0 0
+232 33 0.20035 0.609268 0.734083 0 0 0
+233 19 0.202258 0.551214 0.736595 0 0 0
+234 7 0.187521 0.533635 0.7132 0 0 0
+235 7 0.17591 0.538466 0.757655 0 0 0
+236 17 0.259825 0.529819 0.741746 0 0 0
+237 6 0.262992 0.489749 0.730251 0 0 0
+238 36 0.299286 0.565382 0.725938 0 0 0
+239 18 0.339721 0.581256 0.750525 0 0 0
+240 6 0.375975 0.555842 0.747049 0 0 0
+241 23 0.354823 0.639107 0.746744 0 0 0
+242 12 0.317798 0.679908 0.752047 0 0 0
+243 4 0.276145 0.669718 0.758796 0 0 0
+244 10 0.407965 0.650312 0.737838 0 0 0
+245 31 0.441499 0.614221 0.732916 0 0 0
+246 24 0.421241 0.704591 0.734692 0 0 0
+247 3 0.45993 0.71332 0.728196 0 0 0
+248 9 0.386611 0.74803 0.739614 0 0 0
+249 31 0.402891 0.79488 0.736138 0 0 0
+250 13 0.331967 0.732603 0.74885 0 0 0
+251 20 0.289664 0.776733 0.755219 0 0 0
+252 8 0.249107 0.759398 0.753164 0 0 0
+253 8 0.294455 0.808967 0.736493 0 0 0
+254 8 0.295307 0.793459 0.780592 0 0 0
+255 18 0.31516 0.569889 0.784931 0 0 0
+256 6 0.346541 0.556167 0.802566 0 0 0
+257 35 0.358396 0.551498 0.805839 0 0 0
+258 5 0.294455 0.606223 0.794345 0 0 0
+259 17 0.274481 0.525637 0.779324 0 0 0
+260 6 0.238714 0.532945 0.795004 0 0 0
+261 33 0.297459 0.473551 0.786936 0 0 0
+262 37 0.307568 0.455201 0.825554 0 0 0
+263 34 0.312439 0.395157 0.826848 0 0 0
+264 34 0.267214 0.482685 0.847654 0 0 0
+265 33 0.366312 0.481589 0.8321 0 0 0
+266 19 0.41438 0.457434 0.818069 0 0 0
+267 7 0.403378 0.421505 0.80386 0 0 0
+268 7 0.441499 0.446107 0.839103 0 0 0
+269 17 0.44361 0.49527 0.793507 0 0 0
+270 6 0.427006 0.489709 0.768134 0 0 0
+271 36 0.437033 0.55162 0.803454 0 0 0
+272 18 0.48981 0.576344 0.807996 0 0 0
+273 6 0.499269 0.601392 0.785997 0 0 0
+274 23 0.491515 0.61004 0.8389 0 0 0
+275 12 0.478483 0.588645 0.869881 0 0 0
+276 4 0.466263 0.54622 0.871632 0 0 0
+277 10 0.507186 0.663547 0.835323 0 0 0
+278 31 0.518959 0.683196 0.80764 0 0 0
+279 24 0.508972 0.693833 0.864832 0 0 0
+280 3 0.520502 0.733009 0.86265 0 0 0
+281 9 0.496549 0.675402 0.897082 0 0 0
+282 31 0.499594 0.705931 0.921669 0 0 0
+283 13 0.480554 0.618971 0.8983 0 0 0
+284 20 0.465817 0.593354 0.9323 0 0 0
+285 8 0.432243 0.615642 0.943693 0 0 0
+286 8 0.500893 0.594775 0.949148 0 0 0
+287 8 0.453881 0.551214 0.928316 0 0 0
+288 18 0.530042 0.530428 0.810279 0 0 0
+289 6 0.567676 0.541714 0.797186 0 0 0
+290 35 0.577176 0.548088 0.792645 0 0 0
+291 5 0.53739 0.520116 0.836972 0 0 0
+292 17 0.504222 0.483538 0.792518 0 0 0
+293 6 0.512951 0.446026 0.806194 0 0 0
+294 33 0.523141 0.479843 0.75839 0 0 0
+295 37 0.55911 0.429137 0.746846 0 0 0
+296 34 0.594267 0.412451 0.775594 0 0 0
+297 34 0.58424 0.441195 0.713454 0 0 0
+298 33 0.512342 0.38448 0.741948 0 0 0
+299 19 0.525333 0.328496 0.746566 0 0 0
+300 7 0.511043 0.31652 0.770976 0 0 0
+301 7 0.569544 0.323705 0.745475 0 0 0
+302 17 0.497361 0.291714 0.720863 0 0 0
+303 6 0.487983 0.252822 0.732611 0 0 0
+304 36 0.447751 0.316438 0.708532 0 0 0
+305 18 0.457657 0.336291 0.674886 0 0 0
+306 6 0.433664 0.312703 0.657277 0 0 0
+307 22 0.440159 0.393249 0.672349 0 0 0
+308 15 0.389697 0.467177 0.673592 0 0 0
+309 29 0.443366 0.484796 0.675724 0 0 0
+310 14 0.469389 0.439327 0.675089 0 0 0
+311 4 0.512342 0.437784 0.67986 0 0 0
+312 27 0.294658 0.464863 0.670801 0 0 0
+313 14 0.297621 0.410868 0.669152 0 0 0
+314 4 0.259176 0.389148 0.667427 0 0 0
+315 27 0.342319 0.380623 0.669457 0 0 0
+316 15 0.387301 0.41164 0.671715 0 0 0
+317 11 0.340168 0.494824 0.673009 0 0 0
+318 21 0.336514 0.548737 0.673694 0 0 0
+319 2 0.370494 0.571594 0.674683 0 0 0
+320 2 0.299692 0.566722 0.673389 0 0 0
+321 18 0.51697 0.326628 0.666665 0 0 0
+322 6 0.520948 0.312379 0.640404 0 0 0
+323 35 0.518959 0.308075 0.632538 0 0 0
+324 5 0.540922 0.363085 0.671258 0 0 0
+325 17 0.534467 0.283027 0.690517 0 0 0
+326 6 0.576892 0.288873 0.69757 0 0 0
+327 33 0.526591 0.230453 0.676003 0 0 0
+328 37 0.559719 0.21259 0.642789 0 0 0
+329 34 0.575836 0.154779 0.646164 0 0 0
+330 34 0.601697 0.254162 0.63538 0 0 0
+331 33 0.512098 0.217259 0.615183 0 0 0
+332 19 0.463828 0.185593 0.619319 0 0 0
+333 7 0.452379 0.185227 0.645809 0 0 0
+334 7 0.472394 0.143899 0.610895 0 0 0
+335 17 0.415557 0.208165 0.599806 0 0 0
+336 6 0.37841 0.192007 0.610844 0 0 0
+337 36 0.413527 0.267072 0.601354 0 0 0
+338 18 0.40829 0.28867 0.567379 0 0 0
+339 6 0.365663 0.297236 0.562304 0 0 0
+340 23 0.440403 0.338929 0.562939 0 0 0
+341 12 0.495534 0.339092 0.567354 0 0 0
+342 4 0.516198 0.301336 0.573697 0 0 0
+343 10 0.412431 0.385617 0.554464 0 0 0
+344 31 0.362943 0.386063 0.550531 0 0 0
+345 24 0.443326 0.43206 0.550836 0 0 0
+346 3 0.423474 0.46604 0.544112 0 0 0
+347 9 0.498985 0.435876 0.554972 0 0 0
+348 31 0.522369 0.47964 0.55147 0 0 0
+349 13 0.524764 0.385048 0.563751 0 0 0
+350 20 0.586026 0.383343 0.569181 0 0 0
+351 8 0.604539 0.419272 0.558016 0 0 0
+352 8 0.602631 0.347089 0.557407 0 0 0
+353 8 0.594673 0.38245 0.596051 0 0 0
+354 18 0.427209 0.244337 0.543858 0 0 0
+355 6 0.40281 0.244824 0.520591 0 0 0
+356 35 0.393513 0.247423 0.514653 0 0 0
+357 5 0.470607 0.24929 0.538453 0 0 0
+358 17 0.417912 0.19221 0.562558 0 0 0
+359 6 0.452014 0.164766 0.558245 0 0 0
+360 33 0.368302 0.16708 0.552231 0 0 0
+361 37 0.359939 0.147553 0.51379 0 0 0
+362 34 0.323238 0.0997288 0.51341 0 0 0
+363 34 0.413771 0.14394 0.497019 0 0 0
+364 33 0.327907 0.199152 0.499023 0 0 0
+365 19 0.28459 0.223186 0.51818 0 0 0
+366 7 0.301113 0.242876 0.540433 0 0 0
+367 7 0.256496 0.19083 0.52597 0 0 0
+368 17 0.254263 0.266422 0.498237 0 0 0
+369 6 0.213422 0.270726 0.508487 0 0 0
+370 36 0.28187 0.318306 0.500419 0 0 0
+371 18 0.296241 0.336575 0.466723 0 0 0
+372 6 0.267823 0.368038 0.458781 0 0 0
+373 22 0.351981 0.358538 0.465835 0 0 0
+374 15 0.421972 0.414238 0.463627 0 0 0
+375 29 0.443732 0.362354 0.468448 0 0 0
+376 14 0.400333 0.33284 0.469387 0 0 0
+377 4 0.402566 0.289035 0.47266 0 0 0
+378 27 0.411903 0.507937 0.455812 0 0 0
+379 14 0.358477 0.500589 0.454645 0 0 0
+380 4 0.333956 0.536802 0.451118 0 0 0
+381 27 0.331845 0.453983 0.457461 0 0 0
+382 15 0.366191 0.412086 0.461953 0 0 0
+383 11 0.445599 0.465715 0.460303 0 0 0
+384 21 0.499026 0.474484 0.461673 0 0 0
+385 2 0.524724 0.443103 0.465251 0 0 0
+386 2 0.513884 0.512646 0.459009 0 0 0
+387 18 0.290354 0.288142 0.443709 0 0 0
+388 6 0.273872 0.301052 0.419249 0 0 0
+389 35 0.268716 0.308156 0.412703 0 0 0
+390 5 0.329653 0.267681 0.440867 0 0 0
+391 17 0.250812 0.25132 0.460861 0 0 0
+392 6 0.263114 0.209099 0.457335 0 0 0
+393 33 0.197143 0.259683 0.447946 0 0 0
+394 37 0.183421 0.247707 0.408795 0 0 0
+395 34 0.126787 0.22753 0.406232 0 0 0
+396 34 0.228159 0.215107 0.393799 0 0 0
+397 33 0.186141 0.308319 0.393698 0 0 0
+398 19 0.155287 0.351312 0.408922 0 0 0
+399 7 0.169374 0.357807 0.434625 0 0 0
+400 7 0.112294 0.339173 0.409328 0 0 0
+401 17 0.16162 0.405185 0.390273 0 0 0
+402 6 0.131172 0.433684 0.399534 0 0 0
+403 36 0.215208 0.428082 0.395829 0 0 0
+404 18 0.242774 0.434293 0.363605 0 0 0
+405 6 0.242125 0.47692 0.356171 0 0 0
+406 23 0.299529 0.415577 0.365762 0 0 0
+407 15 0.345039 0.447731 0.366066 0 0 0
+408 21 0.404474 0.575613 0.360966 0 0 0
+409 2 0.442636 0.590675 0.361854 0 0 0
+410 2 0.372727 0.600865 0.357541 0 0 0
+411 28 0.34577 0.502375 0.363098 0 0 0
+412 11 0.396111 0.522349 0.36429 0 0 0
+413 25 0.441743 0.490602 0.368299 0 0 0
+414 3 0.477915 0.508627 0.369593 0 0 0
+415 9 0.442108 0.434537 0.371344 0 0 0
+416 31 0.485385 0.410178 0.374795 0 0 0
+417 16 0.388844 0.412939 0.369999 0 0 0
+418 29 0.371306 0.359106 0.372029 0 0 0
+419 14 0.319422 0.364628 0.369289 0 0 0
+420 4 0.292669 0.329511 0.369365 0 0 0
+421 18 0.210946 0.401571 0.338181 0 0 0
+422 6 0.210053 0.422682 0.313797 0 0 0
+423 35 0.211473 0.431898 0.307504 0 0 0
+424 5 0.228443 0.360771 0.335897 0 0 0
+425 17 0.154759 0.397877 0.352187 0 0 0
+426 6 0.137545 0.35797 0.346808 0 0 0
+427 33 0.121225 0.439733 0.338181 0 0 0
+428 37 0.109493 0.441925 0.298116 0 0 0
+429 34 0.0513569 0.455038 0.292559 0 0 0
+430 34 0.132958 0.392762 0.281928 0 0 0
+431 33 0.145706 0.493809 0.287865 0 0 0
+432 19 0.139332 0.544393 0.3055 0 0 0
+433 7 0.147614 0.538426 0.332167 0 0 0
+434 7 0.0971509 0.558156 0.302227 0 0 0
+435 17 0.178305 0.588198 0.293067 0 0 0
+436 6 0.165842 0.627172 0.303571 0 0 0
+437 36 0.23368 0.577034 0.303622 0 0 0
+438 18 0.268797 0.576019 0.274189 0 0 0
+439 6 0.290598 0.614424 0.272388 0 0 0
+440 23 0.308177 0.530996 0.276092 0 0 0
+441 15 0.363633 0.535543 0.277716 0 0 0
+442 21 0.479661 0.615723 0.279391 0 0 0
+443 2 0.520096 0.609146 0.280659 0 0 0
+444 2 0.465167 0.654007 0.278173 0 0 0
+445 28 0.392011 0.582433 0.277614 0 0 0
+446 11 0.445437 0.573867 0.279391 0 0 0
+447 25 0.468537 0.522998 0.281167 0 0 0
+448 3 0.50885 0.520035 0.282638 0 0 0
+449 9 0.44024 0.474281 0.281268 0 0 0
+450 31 0.464843 0.430964 0.282968 0 0 0
+451 16 0.383526 0.482969 0.279365 0 0 0
+452 29 0.341101 0.445417 0.278756 0 0 0
+453 14 0.299408 0.476799 0.276828 0 0 0
+454 4 0.258567 0.460316 0.27528 0 0 0
+455 18 0.232097 0.569929 0.243842 0 0 0
+456 6 0.247889 0.593882 0.222656 0 0 0
+457 35 0.255238 0.602367 0.217758 0 0 0
+458 5 0.228118 0.526855 0.237195 0 0 0
+459 17 0.178143 0.591974 0.254499 0 0 0
+460 6 0.145706 0.566641 0.244147 0 0 0
+461 33 0.171688 0.646983 0.243513 0 0 0
+462 37 0.17112 0.661761 0.203828 0 0 0
+463 34 0.136815 0.7106 0.198602 0 0 0
+464 34 0.159468 0.611785 0.184037 0 0 0
+465 33 0.233762 0.678162 0.198576 0 0 0
+466 19 0.256983 0.722129 0.217556 0 0 0
+467 7 0.26015 0.710559 0.243969 0 0 0
+468 7 0.230108 0.757571 0.21517 0 0 0
+469 17 0.314023 0.736826 0.205731 0 0 0
+470 6 0.325309 0.775962 0.21649 0 0 0
+471 36 0.353321 0.69639 0.216439 0 0 0
+472 18 0.38178 0.675564 0.187082 0 0 0
+473 6 0.421647 0.694685 0.185382 0 0 0
+474 22 0.388438 0.616251 0.188884 0 0 0
+475 15 0.423271 0.534244 0.192766 0 0 0
+476 29 0.367409 0.526896 0.188934 0 0 0
+477 14 0.350682 0.576384 0.186854 0 0 0
+478 4 0.307974 0.585803 0.183276 0 0 0
+479 27 0.516198 0.519182 0.199616 0 0 0
+480 14 0.523628 0.57269 0.199287 0 0 0
+481 4 0.5652 0.586818 0.20223 0 0 0
+482 27 0.485953 0.610689 0.195937 0 0 0
+483 15 0.436262 0.588563 0.192791 0 0 0
+484 11 0.466345 0.49799 0.196419 0 0 0
+485 21 0.460052 0.444199 0.196749 0 0 0
+486 2 0.492774 0.419718 0.199413 0 0 0
+487 2 0.422621 0.427919 0.19439 0 0 0
+488 18 0.348449 0.691438 0.156634 0 0 0
+489 6 0.375244 0.701993 0.135498 0 0 0
+490 35 0.386124 0.704794 0.130626 0 0 0
+491 5 0.3206 0.658391 0.149961 0 0 0
+492 17 0.316824 0.740276 0.167189 0 0 0
+493 6 0.275983 0.738287 0.156507 0 0 0
+494 33 0.343578 0.788831 0.156405 0 0 0
+495 37 0.352753 0.800523 0.116747 0 0 0
+496 34 0.35121 0.860039 0.110886 0 0 0
+497 34 0.316418 0.764594 0.0967779 0 0 0
+498 33 0.414299 0.779656 0.112687 0 0 0
+499 19 0.456682 0.803405 0.132732 0 0 0
+500 7 0.450146 0.793662 0.159146 0 0 0
+501 7 0.455221 0.847697 0.129281 0 0 0
+502 17 0.512951 0.782335 0.123522 0 0 0
+503 6 0.543277 0.806978 0.136437 0 0 0
+504 36 0.519893 0.726108 0.133772 0 0 0
+505 18 0.53804 0.694361 0.1051 0 0 0
+506 6 0.581885 0.688839 0.106674 0 0 0
+507 23 0.511286 0.640609 0.104288 0 0 0
+508 12 0.456317 0.635941 0.0998227 0 0 0
+509 4 0.431756 0.672438 0.0975137 0 0 0
+510 10 0.544048 0.595303 0.10779 0 0 0
+511 31 0.593415 0.598875 0.111774 0 0 0
+512 24 0.517985 0.545652 0.106471 0 0 0
+513 3 0.541044 0.512524 0.109312 0 0 0
+514 9 0.462894 0.537451 0.101954 0 0 0
+515 31 0.444016 0.491292 0.100888 0 0 0
+516 13 0.431959 0.587021 0.0985794 0 0 0
+517 20 0.370656 0.583935 0.0934286 0 0 0
+518 8 0.351778 0.620717 0.103172 0 0 0
+519 8 0.35462 0.548737 0.106699 0 0 0
+520 8 0.361765 0.58016 0.066685 0 0 0
+521 18 0.524805 0.727448 0.0738657 0 0 0
+522 6 0.55708 0.722413 0.0549371 0 0 0
+523 35 0.568447 0.719084 0.050852 0 0 0
+524 5 0.485141 0.715471 0.0637417 0 0 0
+525 17 0.522897 0.78538 0.0854106 0 0 0
+526 6 0.488957 0.806166 0.0731045 0 0 0
+527 33 0.572751 0.812784 0.0780777 0 0 0
+528 30 0.05 0.05 0.03125 0 0 0
+529 1 0.0807303 0.0737854 0.03125 0 0 0
+530 1 0.0192697 0.0737854 0.03125 0 0 0
+531 30 0.15 0.15 0.03125 0 0 0
+532 1 0.18073 0.173785 0.03125 0 0 0
+533 1 0.11927 0.173785 0.03125 0 0 0
+534 38 0.15 0.05 0.09375 0 0 0
+535 30 0.05 0.15 0.09375 0 0 0
+536 1 0.0807303 0.173785 0.09375 0 0 0
+537 1 0.0192697 0.173785 0.09375 0 0 0
+538 30 0.05 0.05 0.15625 0 0 0
+539 1 0.0807303 0.0737854 0.15625 0 0 0
+540 1 0.0192697 0.0737854 0.15625 0 0 0
+541 38 0.15 0.15 0.15625 0 0 0
+542 30 0.15 0.05 0.21875 0 0 0
+543 1 0.18073 0.0737854 0.21875 0 0 0
+544 1 0.11927 0.0737854 0.21875 0 0 0
+545 30 0.05 0.15 0.21875 0 0 0
+546 1 0.0807303 0.173785 0.21875 0 0 0
+547 1 0.0192697 0.173785 0.21875 0 0 0
+548 30 0.05 0.05 0.28125 0 0 0
+549 1 0.0807303 0.0737854 0.28125 0 0 0
+550 1 0.0192697 0.0737854 0.28125 0 0 0
+551 30 0.15 0.15 0.28125 0 0 0
+552 1 0.18073 0.173785 0.28125 0 0 0
+553 1 0.11927 0.173785 0.28125 0 0 0
+554 30 0.15 0.05 0.34375 0 0 0
+555 1 0.18073 0.0737854 0.34375 0 0 0
+556 1 0.11927 0.0737854 0.34375 0 0 0
+557 30 0.05 0.15 0.34375 0 0 0
+558 1 0.0807303 0.173785 0.34375 0 0 0
+559 1 0.0192697 0.173785 0.34375 0 0 0
+560 30 0.05 0.05 0.40625 0 0 0
+561 1 0.0807303 0.0737854 0.40625 0 0 0
+562 1 0.0192697 0.0737854 0.40625 0 0 0
+563 30 0.15 0.05 0.46875 0 0 0
+564 1 0.18073 0.0737854 0.46875 0 0 0
+565 1 0.11927 0.0737854 0.46875 0 0 0
+566 30 0.05 0.15 0.46875 0 0 0
+567 1 0.0807303 0.173785 0.46875 0 0 0
+568 1 0.0192697 0.173785 0.46875 0 0 0
+569 30 0.05 0.05 0.53125 0 0 0
+570 1 0.0807303 0.0737854 0.53125 0 0 0
+571 1 0.0192697 0.0737854 0.53125 0 0 0
+572 30 0.15 0.15 0.53125 0 0 0
+573 1 0.18073 0.173785 0.53125 0 0 0
+574 1 0.11927 0.173785 0.53125 0 0 0
+575 30 0.15 0.05 0.59375 0 0 0
+576 1 0.18073 0.0737854 0.59375 0 0 0
+577 1 0.11927 0.0737854 0.59375 0 0 0
+578 30 0.05 0.15 0.59375 0 0 0
+579 1 0.0807303 0.173785 0.59375 0 0 0
+580 1 0.0192697 0.173785 0.59375 0 0 0
+581 30 0.05 0.05 0.65625 0 0 0
+582 1 0.0807303 0.0737854 0.65625 0 0 0
+583 1 0.0192697 0.0737854 0.65625 0 0 0
+584 30 0.15 0.15 0.65625 0 0 0
+585 1 0.18073 0.173785 0.65625 0 0 0
+586 1 0.11927 0.173785 0.65625 0 0 0
+587 30 0.15 0.05 0.71875 0 0 0
+588 1 0.18073 0.0737854 0.71875 0 0 0
+589 1 0.11927 0.0737854 0.71875 0 0 0
+590 30 0.05 0.15 0.71875 0 0 0
+591 1 0.0807303 0.173785 0.71875 0 0 0
+592 1 0.0192697 0.173785 0.71875 0 0 0
+593 30 0.05 0.05 0.78125 0 0 0
+594 1 0.0807303 0.0737854 0.78125 0 0 0
+595 1 0.0192697 0.0737854 0.78125 0 0 0
+596 30 0.15 0.15 0.78125 0 0 0
+597 1 0.18073 0.173785 0.78125 0 0 0
+598 1 0.11927 0.173785 0.78125 0 0 0
+599 30 0.15 0.05 0.84375 0 0 0
+600 1 0.18073 0.0737854 0.84375 0 0 0
+601 1 0.11927 0.0737854 0.84375 0 0 0
+602 30 0.05 0.15 0.84375 0 0 0
+603 1 0.0807303 0.173785 0.84375 0 0 0
+604 1 0.0192697 0.173785 0.84375 0 0 0
+605 30 0.05 0.05 0.90625 0 0 0
+606 1 0.0807303 0.0737854 0.90625 0 0 0
+607 1 0.0192697 0.0737854 0.90625 0 0 0
+608 30 0.15 0.15 0.90625 0 0 0
+609 1 0.18073 0.173785 0.90625 0 0 0
+610 1 0.11927 0.173785 0.90625 0 0 0
+611 30 0.15 0.05 0.96875 0 0 0
+612 1 0.18073 0.0737854 0.96875 0 0 0
+613 1 0.11927 0.0737854 0.96875 0 0 0
+614 30 0.05 0.15 0.96875 0 0 0
+615 1 0.0807303 0.173785 0.96875 0 0 0
+616 1 0.0192697 0.173785 0.96875 0 0 0
+617 30 0.05 0.25 0.03125 0 0 0
+618 1 0.0807303 0.273785 0.03125 0 0 0
+619 1 0.0192697 0.273785 0.03125 0 0 0
+620 30 0.15 0.35 0.03125 0 0 0
+621 1 0.18073 0.373785 0.03125 0 0 0
+622 1 0.11927 0.373785 0.03125 0 0 0
+623 30 0.15 0.25 0.09375 0 0 0
+624 1 0.18073 0.273785 0.09375 0 0 0
+625 1 0.11927 0.273785 0.09375 0 0 0
+626 30 0.05 0.35 0.09375 0 0 0
+627 1 0.0807303 0.373785 0.09375 0 0 0
+628 1 0.0192697 0.373785 0.09375 0 0 0
+629 30 0.05 0.25 0.15625 0 0 0
+630 1 0.0807303 0.273785 0.15625 0 0 0
+631 1 0.0192697 0.273785 0.15625 0 0 0
+632 30 0.15 0.35 0.15625 0 0 0
+633 1 0.18073 0.373785 0.15625 0 0 0
+634 1 0.11927 0.373785 0.15625 0 0 0
+635 30 0.15 0.25 0.21875 0 0 0
+636 1 0.18073 0.273785 0.21875 0 0 0
+637 1 0.11927 0.273785 0.21875 0 0 0
+638 30 0.05 0.35 0.21875 0 0 0
+639 1 0.0807303 0.373785 0.21875 0 0 0
+640 1 0.0192697 0.373785 0.21875 0 0 0
+641 30 0.05 0.25 0.28125 0 0 0
+642 1 0.0807303 0.273785 0.28125 0 0 0
+643 1 0.0192697 0.273785 0.28125 0 0 0
+644 30 0.05 0.35 0.46875 0 0 0
+645 1 0.0807303 0.373785 0.46875 0 0 0
+646 1 0.0192697 0.373785 0.46875 0 0 0
+647 30 0.05 0.25 0.53125 0 0 0
+648 1 0.0807303 0.273785 0.53125 0 0 0
+649 1 0.0192697 0.273785 0.53125 0 0 0
+650 30 0.15 0.25 0.59375 0 0 0
+651 1 0.18073 0.273785 0.59375 0 0 0
+652 1 0.11927 0.273785 0.59375 0 0 0
+653 30 0.05 0.35 0.59375 0 0 0
+654 1 0.0807303 0.373785 0.59375 0 0 0
+655 1 0.0192697 0.373785 0.59375 0 0 0
+656 30 0.05 0.25 0.65625 0 0 0
+657 1 0.0807303 0.273785 0.65625 0 0 0
+658 1 0.0192697 0.273785 0.65625 0 0 0
+659 30 0.15 0.35 0.65625 0 0 0
+660 1 0.18073 0.373785 0.65625 0 0 0
+661 1 0.11927 0.373785 0.65625 0 0 0
+662 30 0.15 0.25 0.71875 0 0 0
+663 1 0.18073 0.273785 0.71875 0 0 0
+664 1 0.11927 0.273785 0.71875 0 0 0
+665 30 0.05 0.35 0.71875 0 0 0
+666 1 0.0807303 0.373785 0.71875 0 0 0
+667 1 0.0192697 0.373785 0.71875 0 0 0
+668 30 0.05 0.25 0.78125 0 0 0
+669 1 0.0807303 0.273785 0.78125 0 0 0
+670 1 0.0192697 0.273785 0.78125 0 0 0
+671 30 0.15 0.35 0.78125 0 0 0
+672 1 0.18073 0.373785 0.78125 0 0 0
+673 1 0.11927 0.373785 0.78125 0 0 0
+674 30 0.15 0.25 0.84375 0 0 0
+675 1 0.18073 0.273785 0.84375 0 0 0
+676 1 0.11927 0.273785 0.84375 0 0 0
+677 30 0.05 0.35 0.84375 0 0 0
+678 1 0.0807303 0.373785 0.84375 0 0 0
+679 1 0.0192697 0.373785 0.84375 0 0 0
+680 30 0.05 0.25 0.90625 0 0 0
+681 1 0.0807303 0.273785 0.90625 0 0 0
+682 1 0.0192697 0.273785 0.90625 0 0 0
+683 30 0.15 0.35 0.90625 0 0 0
+684 1 0.18073 0.373785 0.90625 0 0 0
+685 1 0.11927 0.373785 0.90625 0 0 0
+686 30 0.15 0.25 0.96875 0 0 0
+687 1 0.18073 0.273785 0.96875 0 0 0
+688 1 0.11927 0.273785 0.96875 0 0 0
+689 30 0.05 0.35 0.96875 0 0 0
+690 1 0.0807303 0.373785 0.96875 0 0 0
+691 1 0.0192697 0.373785 0.96875 0 0 0
+692 30 0.05 0.45 0.03125 0 0 0
+693 1 0.0807303 0.473785 0.03125 0 0 0
+694 1 0.0192697 0.473785 0.03125 0 0 0
+695 30 0.15 0.55 0.03125 0 0 0
+696 1 0.18073 0.573785 0.03125 0 0 0
+697 1 0.11927 0.573785 0.03125 0 0 0
+698 30 0.15 0.45 0.09375 0 0 0
+699 1 0.18073 0.473785 0.09375 0 0 0
+700 1 0.11927 0.473785 0.09375 0 0 0
+701 30 0.05 0.55 0.09375 0 0 0
+702 1 0.0807303 0.573785 0.09375 0 0 0
+703 1 0.0192697 0.573785 0.09375 0 0 0
+704 30 0.05 0.45 0.15625 0 0 0
+705 1 0.0807303 0.473785 0.15625 0 0 0
+706 1 0.0192697 0.473785 0.15625 0 0 0
+707 30 0.15 0.55 0.40625 0 0 0
+708 1 0.18073 0.573785 0.40625 0 0 0
+709 1 0.11927 0.573785 0.40625 0 0 0
+710 30 0.05 0.55 0.46875 0 0 0
+711 1 0.0807303 0.573785 0.46875 0 0 0
+712 1 0.0192697 0.573785 0.46875 0 0 0
+713 30 0.05 0.45 0.53125 0 0 0
+714 1 0.0807303 0.473785 0.53125 0 0 0
+715 1 0.0192697 0.473785 0.53125 0 0 0
+716 30 0.15 0.55 0.53125 0 0 0
+717 1 0.18073 0.573785 0.53125 0 0 0
+718 1 0.11927 0.573785 0.53125 0 0 0
+719 30 0.15 0.45 0.59375 0 0 0
+720 1 0.18073 0.473785 0.59375 0 0 0
+721 1 0.11927 0.473785 0.59375 0 0 0
+722 30 0.05 0.55 0.59375 0 0 0
+723 1 0.0807303 0.573785 0.59375 0 0 0
+724 1 0.0192697 0.573785 0.59375 0 0 0
+725 30 0.05 0.45 0.65625 0 0 0
+726 1 0.0807303 0.473785 0.65625 0 0 0
+727 1 0.0192697 0.473785 0.65625 0 0 0
+728 30 0.05 0.45 0.78125 0 0 0
+729 1 0.0807303 0.473785 0.78125 0 0 0
+730 1 0.0192697 0.473785 0.78125 0 0 0
+731 30 0.15 0.45 0.84375 0 0 0
+732 1 0.18073 0.473785 0.84375 0 0 0
+733 1 0.11927 0.473785 0.84375 0 0 0
+734 30 0.05 0.55 0.84375 0 0 0
+735 1 0.0807303 0.573785 0.84375 0 0 0
+736 1 0.0192697 0.573785 0.84375 0 0 0
+737 30 0.05 0.45 0.90625 0 0 0
+738 1 0.0807303 0.473785 0.90625 0 0 0
+739 1 0.0192697 0.473785 0.90625 0 0 0
+740 30 0.15 0.55 0.90625 0 0 0
+741 1 0.18073 0.573785 0.90625 0 0 0
+742 1 0.11927 0.573785 0.90625 0 0 0
+743 30 0.15 0.45 0.96875 0 0 0
+744 1 0.18073 0.473785 0.96875 0 0 0
+745 1 0.11927 0.473785 0.96875 0 0 0
+746 30 0.05 0.55 0.96875 0 0 0
+747 1 0.0807303 0.573785 0.96875 0 0 0
+748 1 0.0192697 0.573785 0.96875 0 0 0
+749 30 0.05 0.65 0.03125 0 0 0
+750 1 0.0807303 0.673785 0.03125 0 0 0
+751 1 0.0192697 0.673785 0.03125 0 0 0
+752 30 0.15 0.75 0.03125 0 0 0
+753 1 0.18073 0.773785 0.03125 0 0 0
+754 1 0.11927 0.773785 0.03125 0 0 0
+755 30 0.15 0.65 0.09375 0 0 0
+756 1 0.18073 0.673785 0.09375 0 0 0
+757 1 0.11927 0.673785 0.09375 0 0 0
+758 30 0.05 0.75 0.09375 0 0 0
+759 1 0.0807303 0.773785 0.09375 0 0 0
+760 1 0.0192697 0.773785 0.09375 0 0 0
+761 30 0.05 0.75 0.34375 0 0 0
+762 1 0.0807303 0.773785 0.34375 0 0 0
+763 1 0.0192697 0.773785 0.34375 0 0 0
+764 30 0.05 0.65 0.40625 0 0 0
+765 1 0.0807303 0.673785 0.40625 0 0 0
+766 1 0.0192697 0.673785 0.40625 0 0 0
+767 30 0.15 0.75 0.40625 0 0 0
+768 1 0.18073 0.773785 0.40625 0 0 0
+769 1 0.11927 0.773785 0.40625 0 0 0
+770 30 0.15 0.65 0.46875 0 0 0
+771 1 0.18073 0.673785 0.46875 0 0 0
+772 1 0.11927 0.673785 0.46875 0 0 0
+773 30 0.05 0.75 0.46875 0 0 0
+774 1 0.0807303 0.773785 0.46875 0 0 0
+775 1 0.0192697 0.773785 0.46875 0 0 0
+776 30 0.05 0.65 0.53125 0 0 0
+777 1 0.0807303 0.673785 0.53125 0 0 0
+778 1 0.0192697 0.673785 0.53125 0 0 0
+779 30 0.15 0.65 0.84375 0 0 0
+780 1 0.18073 0.673785 0.84375 0 0 0
+781 1 0.11927 0.673785 0.84375 0 0 0
+782 30 0.05 0.75 0.84375 0 0 0
+783 1 0.0807303 0.773785 0.84375 0 0 0
+784 1 0.0192697 0.773785 0.84375 0 0 0
+785 30 0.05 0.65 0.90625 0 0 0
+786 1 0.0807303 0.673785 0.90625 0 0 0
+787 1 0.0192697 0.673785 0.90625 0 0 0
+788 30 0.15 0.75 0.90625 0 0 0
+789 1 0.18073 0.773785 0.90625 0 0 0
+790 1 0.11927 0.773785 0.90625 0 0 0
+791 30 0.15 0.65 0.96875 0 0 0
+792 1 0.18073 0.673785 0.96875 0 0 0
+793 1 0.11927 0.673785 0.96875 0 0 0
+794 30 0.05 0.75 0.96875 0 0 0
+795 1 0.0807303 0.773785 0.96875 0 0 0
+796 1 0.0192697 0.773785 0.96875 0 0 0
+797 30 0.05 0.85 0.03125 0 0 0
+798 1 0.0807303 0.873785 0.03125 0 0 0
+799 1 0.0192697 0.873785 0.03125 0 0 0
+800 30 0.15 0.95 0.03125 0 0 0
+801 1 0.18073 0.973785 0.03125 0 0 0
+802 1 0.11927 0.973785 0.03125 0 0 0
+803 30 0.15 0.85 0.09375 0 0 0
+804 1 0.18073 0.873785 0.09375 0 0 0
+805 1 0.11927 0.873785 0.09375 0 0 0
+806 30 0.05 0.95 0.09375 0 0 0
+807 1 0.0807303 0.973785 0.09375 0 0 0
+808 1 0.0192697 0.973785 0.09375 0 0 0
+809 30 0.05 0.85 0.15625 0 0 0
+810 1 0.0807303 0.873785 0.15625 0 0 0
+811 1 0.0192697 0.873785 0.15625 0 0 0
+812 30 0.15 0.95 0.15625 0 0 0
+813 1 0.18073 0.973785 0.15625 0 0 0
+814 1 0.11927 0.973785 0.15625 0 0 0
+815 30 0.15 0.85 0.21875 0 0 0
+816 1 0.18073 0.873785 0.21875 0 0 0
+817 1 0.11927 0.873785 0.21875 0 0 0
+818 30 0.05 0.95 0.21875 0 0 0
+819 1 0.0807303 0.973785 0.21875 0 0 0
+820 1 0.0192697 0.973785 0.21875 0 0 0
+821 30 0.05 0.85 0.28125 0 0 0
+822 1 0.0807303 0.873785 0.28125 0 0 0
+823 1 0.0192697 0.873785 0.28125 0 0 0
+824 38 0.15 0.95 0.28125 0 0 0
+825 30 0.15 0.85 0.34375 0 0 0
+826 1 0.18073 0.873785 0.34375 0 0 0
+827 1 0.11927 0.873785 0.34375 0 0 0
+828 30 0.05 0.95 0.34375 0 0 0
+829 1 0.0807303 0.973785 0.34375 0 0 0
+830 1 0.0192697 0.973785 0.34375 0 0 0
+831 30 0.05 0.85 0.40625 0 0 0
+832 1 0.0807303 0.873785 0.40625 0 0 0
+833 1 0.0192697 0.873785 0.40625 0 0 0
+834 30 0.15 0.95 0.40625 0 0 0
+835 1 0.18073 0.973785 0.40625 0 0 0
+836 1 0.11927 0.973785 0.40625 0 0 0
+837 30 0.05 0.95 0.46875 0 0 0
+838 1 0.0807303 0.973785 0.46875 0 0 0
+839 1 0.0192697 0.973785 0.46875 0 0 0
+840 30 0.15 0.95 0.53125 0 0 0
+841 1 0.18073 0.973785 0.53125 0 0 0
+842 1 0.11927 0.973785 0.53125 0 0 0
+843 30 0.05 0.95 0.59375 0 0 0
+844 1 0.0807303 0.973785 0.59375 0 0 0
+845 1 0.0192697 0.973785 0.59375 0 0 0
+846 30 0.05 0.85 0.65625 0 0 0
+847 1 0.0807303 0.873785 0.65625 0 0 0
+848 1 0.0192697 0.873785 0.65625 0 0 0
+849 30 0.15 0.95 0.65625 0 0 0
+850 1 0.18073 0.973785 0.65625 0 0 0
+851 1 0.11927 0.973785 0.65625 0 0 0
+852 30 0.15 0.85 0.71875 0 0 0
+853 1 0.18073 0.873785 0.71875 0 0 0
+854 1 0.11927 0.873785 0.71875 0 0 0
+855 30 0.05 0.95 0.71875 0 0 0
+856 1 0.0807303 0.973785 0.71875 0 0 0
+857 1 0.0192697 0.973785 0.71875 0 0 0
+858 38 0.05 0.85 0.78125 0 0 0
+859 30 0.15 0.95 0.78125 0 0 0
+860 1 0.18073 0.973785 0.78125 0 0 0
+861 1 0.11927 0.973785 0.78125 0 0 0
+862 30 0.15 0.85 0.84375 0 0 0
+863 1 0.18073 0.873785 0.84375 0 0 0
+864 1 0.11927 0.873785 0.84375 0 0 0
+865 38 0.05 0.95 0.84375 0 0 0
+866 30 0.05 0.85 0.90625 0 0 0
+867 1 0.0807303 0.873785 0.90625 0 0 0
+868 1 0.0192697 0.873785 0.90625 0 0 0
+869 30 0.15 0.95 0.90625 0 0 0
+870 1 0.18073 0.973785 0.90625 0 0 0
+871 1 0.11927 0.973785 0.90625 0 0 0
+872 30 0.15 0.85 0.96875 0 0 0
+873 1 0.18073 0.873785 0.96875 0 0 0
+874 1 0.11927 0.873785 0.96875 0 0 0
+875 30 0.05 0.95 0.96875 0 0 0
+876 1 0.0807303 0.973785 0.96875 0 0 0
+877 1 0.0192697 0.973785 0.96875 0 0 0
+878 30 0.25 0.05 0.03125 0 0 0
+879 1 0.28073 0.0737854 0.03125 0 0 0
+880 1 0.21927 0.0737854 0.03125 0 0 0
+881 30 0.35 0.15 0.03125 0 0 0
+882 1 0.38073 0.173785 0.03125 0 0 0
+883 1 0.31927 0.173785 0.03125 0 0 0
+884 30 0.35 0.05 0.09375 0 0 0
+885 1 0.38073 0.0737854 0.09375 0 0 0
+886 1 0.31927 0.0737854 0.09375 0 0 0
+887 30 0.25 0.15 0.09375 0 0 0
+888 1 0.28073 0.173785 0.09375 0 0 0
+889 1 0.21927 0.173785 0.09375 0 0 0
+890 30 0.25 0.05 0.15625 0 0 0
+891 1 0.28073 0.0737854 0.15625 0 0 0
+892 1 0.21927 0.0737854 0.15625 0 0 0
+893 30 0.35 0.15 0.15625 0 0 0
+894 1 0.38073 0.173785 0.15625 0 0 0
+895 1 0.31927 0.173785 0.15625 0 0 0
+896 30 0.35 0.05 0.21875 0 0 0
+897 1 0.38073 0.0737854 0.21875 0 0 0
+898 1 0.31927 0.0737854 0.21875 0 0 0
+899 30 0.25 0.15 0.21875 0 0 0
+900 1 0.28073 0.173785 0.21875 0 0 0
+901 1 0.21927 0.173785 0.21875 0 0 0
+902 30 0.25 0.05 0.28125 0 0 0
+903 1 0.28073 0.0737854 0.28125 0 0 0
+904 1 0.21927 0.0737854 0.28125 0 0 0
+905 30 0.35 0.15 0.28125 0 0 0
+906 1 0.38073 0.173785 0.28125 0 0 0
+907 1 0.31927 0.173785 0.28125 0 0 0
+908 30 0.35 0.05 0.34375 0 0 0
+909 1 0.38073 0.0737854 0.34375 0 0 0
+910 1 0.31927 0.0737854 0.34375 0 0 0
+911 30 0.25 0.05 0.40625 0 0 0
+912 1 0.28073 0.0737854 0.40625 0 0 0
+913 1 0.21927 0.0737854 0.40625 0 0 0
+914 30 0.35 0.15 0.40625 0 0 0
+915 1 0.38073 0.173785 0.40625 0 0 0
+916 1 0.31927 0.173785 0.40625 0 0 0
+917 30 0.35 0.05 0.59375 0 0 0
+918 1 0.38073 0.0737854 0.59375 0 0 0
+919 1 0.31927 0.0737854 0.59375 0 0 0
+920 30 0.25 0.15 0.59375 0 0 0
+921 1 0.28073 0.173785 0.59375 0 0 0
+922 1 0.21927 0.173785 0.59375 0 0 0
+923 30 0.25 0.05 0.65625 0 0 0
+924 1 0.28073 0.0737854 0.65625 0 0 0
+925 1 0.21927 0.0737854 0.65625 0 0 0
+926 30 0.35 0.05 0.71875 0 0 0
+927 1 0.38073 0.0737854 0.71875 0 0 0
+928 1 0.31927 0.0737854 0.71875 0 0 0
+929 30 0.25 0.15 0.71875 0 0 0
+930 1 0.28073 0.173785 0.71875 0 0 0
+931 1 0.21927 0.173785 0.71875 0 0 0
+932 30 0.25 0.05 0.78125 0 0 0
+933 1 0.28073 0.0737854 0.78125 0 0 0
+934 1 0.21927 0.0737854 0.78125 0 0 0
+935 30 0.35 0.15 0.78125 0 0 0
+936 1 0.38073 0.173785 0.78125 0 0 0
+937 1 0.31927 0.173785 0.78125 0 0 0
+938 30 0.35 0.05 0.84375 0 0 0
+939 1 0.38073 0.0737854 0.84375 0 0 0
+940 1 0.31927 0.0737854 0.84375 0 0 0
+941 30 0.25 0.15 0.84375 0 0 0
+942 1 0.28073 0.173785 0.84375 0 0 0
+943 1 0.21927 0.173785 0.84375 0 0 0
+944 30 0.25 0.05 0.90625 0 0 0
+945 1 0.28073 0.0737854 0.90625 0 0 0
+946 1 0.21927 0.0737854 0.90625 0 0 0
+947 30 0.35 0.15 0.90625 0 0 0
+948 1 0.38073 0.173785 0.90625 0 0 0
+949 1 0.31927 0.173785 0.90625 0 0 0
+950 30 0.35 0.05 0.96875 0 0 0
+951 1 0.38073 0.0737854 0.96875 0 0 0
+952 1 0.31927 0.0737854 0.96875 0 0 0
+953 30 0.25 0.15 0.96875 0 0 0
+954 1 0.28073 0.173785 0.96875 0 0 0
+955 1 0.21927 0.173785 0.96875 0 0 0
+956 30 0.25 0.25 0.03125 0 0 0
+957 1 0.28073 0.273785 0.03125 0 0 0
+958 1 0.21927 0.273785 0.03125 0 0 0
+959 30 0.35 0.35 0.03125 0 0 0
+960 1 0.38073 0.373785 0.03125 0 0 0
+961 1 0.31927 0.373785 0.03125 0 0 0
+962 30 0.35 0.25 0.09375 0 0 0
+963 1 0.38073 0.273785 0.09375 0 0 0
+964 1 0.31927 0.273785 0.09375 0 0 0
+965 30 0.25 0.35 0.09375 0 0 0
+966 1 0.28073 0.373785 0.09375 0 0 0
+967 1 0.21927 0.373785 0.09375 0 0 0
+968 30 0.25 0.25 0.15625 0 0 0
+969 1 0.28073 0.273785 0.15625 0 0 0
+970 1 0.21927 0.273785 0.15625 0 0 0
+971 30 0.35 0.35 0.15625 0 0 0
+972 1 0.38073 0.373785 0.15625 0 0 0
+973 1 0.31927 0.373785 0.15625 0 0 0
+974 30 0.35 0.25 0.21875 0 0 0
+975 1 0.38073 0.273785 0.21875 0 0 0
+976 1 0.31927 0.273785 0.21875 0 0 0
+977 30 0.25 0.35 0.21875 0 0 0
+978 1 0.28073 0.373785 0.21875 0 0 0
+979 1 0.21927 0.373785 0.21875 0 0 0
+980 30 0.25 0.25 0.28125 0 0 0
+981 1 0.28073 0.273785 0.28125 0 0 0
+982 1 0.21927 0.273785 0.28125 0 0 0
+983 30 0.25 0.35 0.59375 0 0 0
+984 1 0.28073 0.373785 0.59375 0 0 0
+985 1 0.21927 0.373785 0.59375 0 0 0
+986 30 0.25 0.25 0.65625 0 0 0
+987 1 0.28073 0.273785 0.65625 0 0 0
+988 1 0.21927 0.273785 0.65625 0 0 0
+989 30 0.25 0.25 0.78125 0 0 0
+990 1 0.28073 0.273785 0.78125 0 0 0
+991 1 0.21927 0.273785 0.78125 0 0 0
+992 30 0.35 0.25 0.84375 0 0 0
+993 1 0.38073 0.273785 0.84375 0 0 0
+994 1 0.31927 0.273785 0.84375 0 0 0
+995 30 0.25 0.25 0.90625 0 0 0
+996 1 0.28073 0.273785 0.90625 0 0 0
+997 1 0.21927 0.273785 0.90625 0 0 0
+998 30 0.35 0.35 0.90625 0 0 0
+999 1 0.38073 0.373785 0.90625 0 0 0
+1000 1 0.31927 0.373785 0.90625 0 0 0
+1001 30 0.35 0.25 0.96875 0 0 0
+1002 1 0.38073 0.273785 0.96875 0 0 0
+1003 1 0.31927 0.273785 0.96875 0 0 0
+1004 30 0.25 0.35 0.96875 0 0 0
+1005 1 0.28073 0.373785 0.96875 0 0 0
+1006 1 0.21927 0.373785 0.96875 0 0 0
+1007 30 0.25 0.45 0.03125 0 0 0
+1008 1 0.28073 0.473785 0.03125 0 0 0
+1009 1 0.21927 0.473785 0.03125 0 0 0
+1010 38 0.25 0.45 0.15625 0 0 0
+1011 30 0.25 0.45 0.53125 0 0 0
+1012 1 0.28073 0.473785 0.53125 0 0 0
+1013 1 0.21927 0.473785 0.53125 0 0 0
+1014 30 0.35 0.45 0.96875 0 0 0
+1015 1 0.38073 0.473785 0.96875 0 0 0
+1016 1 0.31927 0.473785 0.96875 0 0 0
+1017 30 0.25 0.55 0.96875 0 0 0
+1018 1 0.28073 0.573785 0.96875 0 0 0
+1019 1 0.21927 0.573785 0.96875 0 0 0
+1020 30 0.25 0.65 0.03125 0 0 0
+1021 1 0.28073 0.673785 0.03125 0 0 0
+1022 1 0.21927 0.673785 0.03125 0 0 0
+1023 30 0.25 0.75 0.34375 0 0 0
+1024 1 0.28073 0.773785 0.34375 0 0 0
+1025 1 0.21927 0.773785 0.34375 0 0 0
+1026 30 0.25 0.65 0.40625 0 0 0
+1027 1 0.28073 0.673785 0.40625 0 0 0
+1028 1 0.21927 0.673785 0.40625 0 0 0
+1029 30 0.25 0.75 0.84375 0 0 0
+1030 1 0.28073 0.773785 0.84375 0 0 0
+1031 1 0.21927 0.773785 0.84375 0 0 0
+1032 30 0.25 0.65 0.90625 0 0 0
+1033 1 0.28073 0.673785 0.90625 0 0 0
+1034 1 0.21927 0.673785 0.90625 0 0 0
+1035 30 0.35 0.75 0.90625 0 0 0
+1036 1 0.38073 0.773785 0.90625 0 0 0
+1037 1 0.31927 0.773785 0.90625 0 0 0
+1038 30 0.25 0.75 0.96875 0 0 0
+1039 1 0.28073 0.773785 0.96875 0 0 0
+1040 1 0.21927 0.773785 0.96875 0 0 0
+1041 30 0.25 0.85 0.03125 0 0 0
+1042 1 0.28073 0.873785 0.03125 0 0 0
+1043 1 0.21927 0.873785 0.03125 0 0 0
+1044 30 0.35 0.95 0.03125 0 0 0
+1045 1 0.38073 0.973785 0.03125 0 0 0
+1046 1 0.31927 0.973785 0.03125 0 0 0
+1047 30 0.25 0.95 0.09375 0 0 0
+1048 1 0.28073 0.973785 0.09375 0 0 0
+1049 1 0.21927 0.973785 0.09375 0 0 0
+1050 30 0.25 0.95 0.21875 0 0 0
+1051 1 0.28073 0.973785 0.21875 0 0 0
+1052 1 0.21927 0.973785 0.21875 0 0 0
+1053 30 0.25 0.85 0.28125 0 0 0
+1054 1 0.28073 0.873785 0.28125 0 0 0
+1055 1 0.21927 0.873785 0.28125 0 0 0
+1056 30 0.35 0.95 0.28125 0 0 0
+1057 1 0.38073 0.973785 0.28125 0 0 0
+1058 1 0.31927 0.973785 0.28125 0 0 0
+1059 30 0.25 0.95 0.34375 0 0 0
+1060 1 0.28073 0.973785 0.34375 0 0 0
+1061 1 0.21927 0.973785 0.34375 0 0 0
+1062 38 0.35 0.95 0.65625 0 0 0
+1063 30 0.25 0.95 0.71875 0 0 0
+1064 1 0.28073 0.973785 0.71875 0 0 0
+1065 1 0.21927 0.973785 0.71875 0 0 0
+1066 30 0.35 0.95 0.78125 0 0 0
+1067 1 0.38073 0.973785 0.78125 0 0 0
+1068 1 0.31927 0.973785 0.78125 0 0 0
+1069 30 0.35 0.85 0.84375 0 0 0
+1070 1 0.38073 0.873785 0.84375 0 0 0
+1071 1 0.31927 0.873785 0.84375 0 0 0
+1072 30 0.25 0.95 0.84375 0 0 0
+1073 1 0.28073 0.973785 0.84375 0 0 0
+1074 1 0.21927 0.973785 0.84375 0 0 0
+1075 30 0.25 0.85 0.90625 0 0 0
+1076 1 0.28073 0.873785 0.90625 0 0 0
+1077 1 0.21927 0.873785 0.90625 0 0 0
+1078 30 0.35 0.95 0.90625 0 0 0
+1079 1 0.38073 0.973785 0.90625 0 0 0
+1080 1 0.31927 0.973785 0.90625 0 0 0
+1081 30 0.35 0.85 0.96875 0 0 0
+1082 1 0.38073 0.873785 0.96875 0 0 0
+1083 1 0.31927 0.873785 0.96875 0 0 0
+1084 30 0.25 0.95 0.96875 0 0 0
+1085 1 0.28073 0.973785 0.96875 0 0 0
+1086 1 0.21927 0.973785 0.96875 0 0 0
+1087 30 0.45 0.05 0.03125 0 0 0
+1088 1 0.48073 0.0737854 0.03125 0 0 0
+1089 1 0.41927 0.0737854 0.03125 0 0 0
+1090 30 0.55 0.15 0.03125 0 0 0
+1091 1 0.58073 0.173785 0.03125 0 0 0
+1092 1 0.51927 0.173785 0.03125 0 0 0
+1093 30 0.55 0.05 0.09375 0 0 0
+1094 1 0.58073 0.0737854 0.09375 0 0 0
+1095 1 0.51927 0.0737854 0.09375 0 0 0
+1096 30 0.45 0.15 0.09375 0 0 0
+1097 1 0.48073 0.173785 0.09375 0 0 0
+1098 1 0.41927 0.173785 0.09375 0 0 0
+1099 30 0.45 0.05 0.15625 0 0 0
+1100 1 0.48073 0.0737854 0.15625 0 0 0
+1101 1 0.41927 0.0737854 0.15625 0 0 0
+1102 30 0.55 0.15 0.15625 0 0 0
+1103 1 0.58073 0.173785 0.15625 0 0 0
+1104 1 0.51927 0.173785 0.15625 0 0 0
+1105 30 0.55 0.05 0.21875 0 0 0
+1106 1 0.58073 0.0737854 0.21875 0 0 0
+1107 1 0.51927 0.0737854 0.21875 0 0 0
+1108 30 0.45 0.15 0.21875 0 0 0
+1109 1 0.48073 0.173785 0.21875 0 0 0
+1110 1 0.41927 0.173785 0.21875 0 0 0
+1111 30 0.45 0.05 0.28125 0 0 0
+1112 1 0.48073 0.0737854 0.28125 0 0 0
+1113 1 0.41927 0.0737854 0.28125 0 0 0
+1114 30 0.55 0.15 0.28125 0 0 0
+1115 1 0.58073 0.173785 0.28125 0 0 0
+1116 1 0.51927 0.173785 0.28125 0 0 0
+1117 30 0.55 0.05 0.34375 0 0 0
+1118 1 0.58073 0.0737854 0.34375 0 0 0
+1119 1 0.51927 0.0737854 0.34375 0 0 0
+1120 30 0.45 0.15 0.34375 0 0 0
+1121 1 0.48073 0.173785 0.34375 0 0 0
+1122 1 0.41927 0.173785 0.34375 0 0 0
+1123 30 0.45 0.05 0.40625 0 0 0
+1124 1 0.48073 0.0737854 0.40625 0 0 0
+1125 1 0.41927 0.0737854 0.40625 0 0 0
+1126 30 0.55 0.15 0.40625 0 0 0
+1127 1 0.58073 0.173785 0.40625 0 0 0
+1128 1 0.51927 0.173785 0.40625 0 0 0
+1129 30 0.55 0.05 0.46875 0 0 0
+1130 1 0.58073 0.0737854 0.46875 0 0 0
+1131 1 0.51927 0.0737854 0.46875 0 0 0
+1132 30 0.55 0.05 0.59375 0 0 0
+1133 1 0.58073 0.0737854 0.59375 0 0 0
+1134 1 0.51927 0.0737854 0.59375 0 0 0
+1135 30 0.45 0.05 0.65625 0 0 0
+1136 1 0.48073 0.0737854 0.65625 0 0 0
+1137 1 0.41927 0.0737854 0.65625 0 0 0
+1138 30 0.55 0.05 0.71875 0 0 0
+1139 1 0.58073 0.0737854 0.71875 0 0 0
+1140 1 0.51927 0.0737854 0.71875 0 0 0
+1141 30 0.45 0.15 0.71875 0 0 0
+1142 1 0.48073 0.173785 0.71875 0 0 0
+1143 1 0.41927 0.173785 0.71875 0 0 0
+1144 30 0.45 0.05 0.78125 0 0 0
+1145 1 0.48073 0.0737854 0.78125 0 0 0
+1146 1 0.41927 0.0737854 0.78125 0 0 0
+1147 30 0.55 0.15 0.78125 0 0 0
+1148 1 0.58073 0.173785 0.78125 0 0 0
+1149 1 0.51927 0.173785 0.78125 0 0 0
+1150 30 0.55 0.05 0.84375 0 0 0
+1151 1 0.58073 0.0737854 0.84375 0 0 0
+1152 1 0.51927 0.0737854 0.84375 0 0 0
+1153 30 0.45 0.15 0.84375 0 0 0
+1154 1 0.48073 0.173785 0.84375 0 0 0
+1155 1 0.41927 0.173785 0.84375 0 0 0
+1156 30 0.45 0.05 0.90625 0 0 0
+1157 1 0.48073 0.0737854 0.90625 0 0 0
+1158 1 0.41927 0.0737854 0.90625 0 0 0
+1159 30 0.55 0.15 0.90625 0 0 0
+1160 1 0.58073 0.173785 0.90625 0 0 0
+1161 1 0.51927 0.173785 0.90625 0 0 0
+1162 30 0.55 0.05 0.96875 0 0 0
+1163 1 0.58073 0.0737854 0.96875 0 0 0
+1164 1 0.51927 0.0737854 0.96875 0 0 0
+1165 30 0.45 0.15 0.96875 0 0 0
+1166 1 0.48073 0.173785 0.96875 0 0 0
+1167 1 0.41927 0.173785 0.96875 0 0 0
+1168 30 0.45 0.25 0.03125 0 0 0
+1169 1 0.48073 0.273785 0.03125 0 0 0
+1170 1 0.41927 0.273785 0.03125 0 0 0
+1171 30 0.55 0.35 0.03125 0 0 0
+1172 1 0.58073 0.373785 0.03125 0 0 0
+1173 1 0.51927 0.373785 0.03125 0 0 0
+1174 30 0.45 0.25 0.15625 0 0 0
+1175 1 0.48073 0.273785 0.15625 0 0 0
+1176 1 0.41927 0.273785 0.15625 0 0 0
+1177 30 0.45 0.25 0.28125 0 0 0
+1178 1 0.48073 0.273785 0.28125 0 0 0
+1179 1 0.41927 0.273785 0.28125 0 0 0
+1180 30 0.55 0.25 0.34375 0 0 0
+1181 1 0.58073 0.273785 0.34375 0 0 0
+1182 1 0.51927 0.273785 0.34375 0 0 0
+1183 30 0.45 0.25 0.40625 0 0 0
+1184 1 0.48073 0.273785 0.40625 0 0 0
+1185 1 0.41927 0.273785 0.40625 0 0 0
+1186 30 0.55 0.25 0.46875 0 0 0
+1187 1 0.58073 0.273785 0.46875 0 0 0
+1188 1 0.51927 0.273785 0.46875 0 0 0
+1189 30 0.55 0.25 0.84375 0 0 0
+1190 1 0.58073 0.273785 0.84375 0 0 0
+1191 1 0.51927 0.273785 0.84375 0 0 0
+1192 30 0.45 0.25 0.90625 0 0 0
+1193 1 0.48073 0.273785 0.90625 0 0 0
+1194 1 0.41927 0.273785 0.90625 0 0 0
+1195 30 0.55 0.35 0.90625 0 0 0
+1196 1 0.58073 0.373785 0.90625 0 0 0
+1197 1 0.51927 0.373785 0.90625 0 0 0
+1198 30 0.55 0.25 0.96875 0 0 0
+1199 1 0.58073 0.273785 0.96875 0 0 0
+1200 1 0.51927 0.273785 0.96875 0 0 0
+1201 30 0.45 0.35 0.96875 0 0 0
+1202 1 0.48073 0.373785 0.96875 0 0 0
+1203 1 0.41927 0.373785 0.96875 0 0 0
+1204 30 0.55 0.45 0.96875 0 0 0
+1205 1 0.58073 0.473785 0.96875 0 0 0
+1206 1 0.51927 0.473785 0.96875 0 0 0
+1207 30 0.55 0.95 0.03125 0 0 0
+1208 1 0.58073 0.973785 0.03125 0 0 0
+1209 1 0.51927 0.973785 0.03125 0 0 0
+1210 30 0.45 0.95 0.09375 0 0 0
+1211 1 0.48073 0.973785 0.09375 0 0 0
+1212 1 0.41927 0.973785 0.09375 0 0 0
+1213 30 0.55 0.95 0.15625 0 0 0
+1214 1 0.58073 0.973785 0.15625 0 0 0
+1215 1 0.51927 0.973785 0.15625 0 0 0
+1216 30 0.55 0.85 0.21875 0 0 0
+1217 1 0.58073 0.873785 0.21875 0 0 0
+1218 1 0.51927 0.873785 0.21875 0 0 0
+1219 30 0.45 0.95 0.21875 0 0 0
+1220 1 0.48073 0.973785 0.21875 0 0 0
+1221 1 0.41927 0.973785 0.21875 0 0 0
+1222 30 0.45 0.85 0.28125 0 0 0
+1223 1 0.48073 0.873785 0.28125 0 0 0
+1224 1 0.41927 0.873785 0.28125 0 0 0
+1225 30 0.55 0.95 0.28125 0 0 0
+1226 1 0.58073 0.973785 0.28125 0 0 0
+1227 1 0.51927 0.973785 0.28125 0 0 0
+1228 30 0.55 0.95 0.53125 0 0 0
+1229 1 0.58073 0.973785 0.53125 0 0 0
+1230 1 0.51927 0.973785 0.53125 0 0 0
+1231 30 0.45 0.95 0.59375 0 0 0
+1232 1 0.48073 0.973785 0.59375 0 0 0
+1233 1 0.41927 0.973785 0.59375 0 0 0
+1234 30 0.55 0.95 0.65625 0 0 0
+1235 1 0.58073 0.973785 0.65625 0 0 0
+1236 1 0.51927 0.973785 0.65625 0 0 0
+1237 30 0.55 0.85 0.71875 0 0 0
+1238 1 0.58073 0.873785 0.71875 0 0 0
+1239 1 0.51927 0.873785 0.71875 0 0 0
+1240 30 0.45 0.95 0.71875 0 0 0
+1241 1 0.48073 0.973785 0.71875 0 0 0
+1242 1 0.41927 0.973785 0.71875 0 0 0
+1243 30 0.55 0.95 0.78125 0 0 0
+1244 1 0.58073 0.973785 0.78125 0 0 0
+1245 1 0.51927 0.973785 0.78125 0 0 0
+1246 30 0.55 0.85 0.84375 0 0 0
+1247 1 0.58073 0.873785 0.84375 0 0 0
+1248 1 0.51927 0.873785 0.84375 0 0 0
+1249 30 0.45 0.95 0.84375 0 0 0
+1250 1 0.48073 0.973785 0.84375 0 0 0
+1251 1 0.41927 0.973785 0.84375 0 0 0
+1252 30 0.45 0.85 0.90625 0 0 0
+1253 1 0.48073 0.873785 0.90625 0 0 0
+1254 1 0.41927 0.873785 0.90625 0 0 0
+1255 30 0.55 0.95 0.90625 0 0 0
+1256 1 0.58073 0.973785 0.90625 0 0 0
+1257 1 0.51927 0.973785 0.90625 0 0 0
+1258 30 0.55 0.85 0.96875 0 0 0
+1259 1 0.58073 0.873785 0.96875 0 0 0
+1260 1 0.51927 0.873785 0.96875 0 0 0
+1261 30 0.45 0.95 0.96875 0 0 0
+1262 1 0.48073 0.973785 0.96875 0 0 0
+1263 1 0.41927 0.973785 0.96875 0 0 0
+1264 38 0.65 0.05 0.03125 0 0 0
+1265 30 0.65 0.15 0.21875 0 0 0
+1266 1 0.68073 0.173785 0.21875 0 0 0
+1267 1 0.61927 0.173785 0.21875 0 0 0
+1268 30 0.65 0.05 0.28125 0 0 0
+1269 1 0.68073 0.0737854 0.28125 0 0 0
+1270 1 0.61927 0.0737854 0.28125 0 0 0
+1271 30 0.75 0.15 0.28125 0 0 0
+1272 1 0.78073 0.173785 0.28125 0 0 0
+1273 1 0.71927 0.173785 0.28125 0 0 0
+1274 30 0.75 0.05 0.34375 0 0 0
+1275 1 0.78073 0.0737854 0.34375 0 0 0
+1276 1 0.71927 0.0737854 0.34375 0 0 0
+1277 30 0.65 0.15 0.34375 0 0 0
+1278 1 0.68073 0.173785 0.34375 0 0 0
+1279 1 0.61927 0.173785 0.34375 0 0 0
+1280 30 0.65 0.05 0.40625 0 0 0
+1281 1 0.68073 0.0737854 0.40625 0 0 0
+1282 1 0.61927 0.0737854 0.40625 0 0 0
+1283 30 0.75 0.15 0.40625 0 0 0
+1284 1 0.78073 0.173785 0.40625 0 0 0
+1285 1 0.71927 0.173785 0.40625 0 0 0
+1286 30 0.75 0.05 0.46875 0 0 0
+1287 1 0.78073 0.0737854 0.46875 0 0 0
+1288 1 0.71927 0.0737854 0.46875 0 0 0
+1289 30 0.65 0.15 0.46875 0 0 0
+1290 1 0.68073 0.173785 0.46875 0 0 0
+1291 1 0.61927 0.173785 0.46875 0 0 0
+1292 30 0.65 0.05 0.53125 0 0 0
+1293 1 0.68073 0.0737854 0.53125 0 0 0
+1294 1 0.61927 0.0737854 0.53125 0 0 0
+1295 30 0.75 0.15 0.53125 0 0 0
+1296 1 0.78073 0.173785 0.53125 0 0 0
+1297 1 0.71927 0.173785 0.53125 0 0 0
+1298 30 0.75 0.05 0.59375 0 0 0
+1299 1 0.78073 0.0737854 0.59375 0 0 0
+1300 1 0.71927 0.0737854 0.59375 0 0 0
+1301 30 0.65 0.05 0.65625 0 0 0
+1302 1 0.68073 0.0737854 0.65625 0 0 0
+1303 1 0.61927 0.0737854 0.65625 0 0 0
+1304 30 0.75 0.15 0.65625 0 0 0
+1305 1 0.78073 0.173785 0.65625 0 0 0
+1306 1 0.71927 0.173785 0.65625 0 0 0
+1307 30 0.75 0.05 0.71875 0 0 0
+1308 1 0.78073 0.0737854 0.71875 0 0 0
+1309 1 0.71927 0.0737854 0.71875 0 0 0
+1310 30 0.65 0.15 0.71875 0 0 0
+1311 1 0.68073 0.173785 0.71875 0 0 0
+1312 1 0.61927 0.173785 0.71875 0 0 0
+1313 30 0.65 0.05 0.78125 0 0 0
+1314 1 0.68073 0.0737854 0.78125 0 0 0
+1315 1 0.61927 0.0737854 0.78125 0 0 0
+1316 30 0.75 0.15 0.78125 0 0 0
+1317 1 0.78073 0.173785 0.78125 0 0 0
+1318 1 0.71927 0.173785 0.78125 0 0 0
+1319 30 0.75 0.05 0.84375 0 0 0
+1320 1 0.78073 0.0737854 0.84375 0 0 0
+1321 1 0.71927 0.0737854 0.84375 0 0 0
+1322 30 0.65 0.15 0.84375 0 0 0
+1323 1 0.68073 0.173785 0.84375 0 0 0
+1324 1 0.61927 0.173785 0.84375 0 0 0
+1325 30 0.65 0.05 0.90625 0 0 0
+1326 1 0.68073 0.0737854 0.90625 0 0 0
+1327 1 0.61927 0.0737854 0.90625 0 0 0
+1328 30 0.75 0.15 0.90625 0 0 0
+1329 1 0.78073 0.173785 0.90625 0 0 0
+1330 1 0.71927 0.173785 0.90625 0 0 0
+1331 30 0.75 0.05 0.96875 0 0 0
+1332 1 0.78073 0.0737854 0.96875 0 0 0
+1333 1 0.71927 0.0737854 0.96875 0 0 0
+1334 30 0.65 0.15 0.96875 0 0 0
+1335 1 0.68073 0.173785 0.96875 0 0 0
+1336 1 0.61927 0.173785 0.96875 0 0 0
+1337 30 0.65 0.25 0.03125 0 0 0
+1338 1 0.68073 0.273785 0.03125 0 0 0
+1339 1 0.61927 0.273785 0.03125 0 0 0
+1340 30 0.75 0.35 0.03125 0 0 0
+1341 1 0.78073 0.373785 0.03125 0 0 0
+1342 1 0.71927 0.373785 0.03125 0 0 0
+1343 30 0.75 0.25 0.34375 0 0 0
+1344 1 0.78073 0.273785 0.34375 0 0 0
+1345 1 0.71927 0.273785 0.34375 0 0 0
+1346 30 0.65 0.35 0.34375 0 0 0
+1347 1 0.68073 0.373785 0.34375 0 0 0
+1348 1 0.61927 0.373785 0.34375 0 0 0
+1349 30 0.65 0.25 0.40625 0 0 0
+1350 1 0.68073 0.273785 0.40625 0 0 0
+1351 1 0.61927 0.273785 0.40625 0 0 0
+1352 30 0.75 0.35 0.40625 0 0 0
+1353 1 0.78073 0.373785 0.40625 0 0 0
+1354 1 0.71927 0.373785 0.40625 0 0 0
+1355 30 0.75 0.25 0.46875 0 0 0
+1356 1 0.78073 0.273785 0.46875 0 0 0
+1357 1 0.71927 0.273785 0.46875 0 0 0
+1358 30 0.65 0.35 0.46875 0 0 0
+1359 1 0.68073 0.373785 0.46875 0 0 0
+1360 1 0.61927 0.373785 0.46875 0 0 0
+1361 30 0.65 0.25 0.53125 0 0 0
+1362 1 0.68073 0.273785 0.53125 0 0 0
+1363 1 0.61927 0.273785 0.53125 0 0 0
+1364 30 0.75 0.35 0.53125 0 0 0
+1365 1 0.78073 0.373785 0.53125 0 0 0
+1366 1 0.71927 0.373785 0.53125 0 0 0
+1367 30 0.75 0.25 0.59375 0 0 0
+1368 1 0.78073 0.273785 0.59375 0 0 0
+1369 1 0.71927 0.273785 0.59375 0 0 0
+1370 30 0.75 0.35 0.65625 0 0 0
+1371 1 0.78073 0.373785 0.65625 0 0 0
+1372 1 0.71927 0.373785 0.65625 0 0 0
+1373 30 0.75 0.25 0.71875 0 0 0
+1374 1 0.78073 0.273785 0.71875 0 0 0
+1375 1 0.71927 0.273785 0.71875 0 0 0
+1376 30 0.65 0.25 0.78125 0 0 0
+1377 1 0.68073 0.273785 0.78125 0 0 0
+1378 1 0.61927 0.273785 0.78125 0 0 0
+1379 30 0.75 0.35 0.78125 0 0 0
+1380 1 0.78073 0.373785 0.78125 0 0 0
+1381 1 0.71927 0.373785 0.78125 0 0 0
+1382 30 0.75 0.25 0.84375 0 0 0
+1383 1 0.78073 0.273785 0.84375 0 0 0
+1384 1 0.71927 0.273785 0.84375 0 0 0
+1385 30 0.65 0.35 0.84375 0 0 0
+1386 1 0.68073 0.373785 0.84375 0 0 0
+1387 1 0.61927 0.373785 0.84375 0 0 0
+1388 30 0.65 0.25 0.90625 0 0 0
+1389 1 0.68073 0.273785 0.90625 0 0 0
+1390 1 0.61927 0.273785 0.90625 0 0 0
+1391 30 0.75 0.35 0.90625 0 0 0
+1392 1 0.78073 0.373785 0.90625 0 0 0
+1393 1 0.71927 0.373785 0.90625 0 0 0
+1394 30 0.75 0.25 0.96875 0 0 0
+1395 1 0.78073 0.273785 0.96875 0 0 0
+1396 1 0.71927 0.273785 0.96875 0 0 0
+1397 30 0.65 0.35 0.96875 0 0 0
+1398 1 0.68073 0.373785 0.96875 0 0 0
+1399 1 0.61927 0.373785 0.96875 0 0 0
+1400 30 0.65 0.45 0.03125 0 0 0
+1401 1 0.68073 0.473785 0.03125 0 0 0
+1402 1 0.61927 0.473785 0.03125 0 0 0
+1403 30 0.75 0.55 0.03125 0 0 0
+1404 1 0.78073 0.573785 0.03125 0 0 0
+1405 1 0.71927 0.573785 0.03125 0 0 0
+1406 30 0.75 0.45 0.46875 0 0 0
+1407 1 0.78073 0.473785 0.46875 0 0 0
+1408 1 0.71927 0.473785 0.46875 0 0 0
+1409 30 0.75 0.55 0.53125 0 0 0
+1410 1 0.78073 0.573785 0.53125 0 0 0
+1411 1 0.71927 0.573785 0.53125 0 0 0
+1412 30 0.75 0.45 0.59375 0 0 0
+1413 1 0.78073 0.473785 0.59375 0 0 0
+1414 1 0.71927 0.473785 0.59375 0 0 0
+1415 30 0.65 0.55 0.59375 0 0 0
+1416 1 0.68073 0.573785 0.59375 0 0 0
+1417 1 0.61927 0.573785 0.59375 0 0 0
+1418 30 0.75 0.55 0.65625 0 0 0
+1419 1 0.78073 0.573785 0.65625 0 0 0
+1420 1 0.71927 0.573785 0.65625 0 0 0
+1421 30 0.75 0.45 0.71875 0 0 0
+1422 1 0.78073 0.473785 0.71875 0 0 0
+1423 1 0.71927 0.473785 0.71875 0 0 0
+1424 30 0.65 0.55 0.71875 0 0 0
+1425 1 0.68073 0.573785 0.71875 0 0 0
+1426 1 0.61927 0.573785 0.71875 0 0 0
+1427 30 0.75 0.55 0.78125 0 0 0
+1428 1 0.78073 0.573785 0.78125 0 0 0
+1429 1 0.71927 0.573785 0.78125 0 0 0
+1430 30 0.75 0.45 0.84375 0 0 0
+1431 1 0.78073 0.473785 0.84375 0 0 0
+1432 1 0.71927 0.473785 0.84375 0 0 0
+1433 30 0.65 0.45 0.90625 0 0 0
+1434 1 0.68073 0.473785 0.90625 0 0 0
+1435 1 0.61927 0.473785 0.90625 0 0 0
+1436 30 0.75 0.55 0.90625 0 0 0
+1437 1 0.78073 0.573785 0.90625 0 0 0
+1438 1 0.71927 0.573785 0.90625 0 0 0
+1439 30 0.75 0.45 0.96875 0 0 0
+1440 1 0.78073 0.473785 0.96875 0 0 0
+1441 1 0.71927 0.473785 0.96875 0 0 0
+1442 30 0.65 0.55 0.96875 0 0 0
+1443 1 0.68073 0.573785 0.96875 0 0 0
+1444 1 0.61927 0.573785 0.96875 0 0 0
+1445 30 0.75 0.75 0.03125 0 0 0
+1446 1 0.78073 0.773785 0.03125 0 0 0
+1447 1 0.71927 0.773785 0.03125 0 0 0
+1448 30 0.75 0.65 0.09375 0 0 0
+1449 1 0.78073 0.673785 0.09375 0 0 0
+1450 1 0.71927 0.673785 0.09375 0 0 0
+1451 30 0.75 0.75 0.15625 0 0 0
+1452 1 0.78073 0.773785 0.15625 0 0 0
+1453 1 0.71927 0.773785 0.15625 0 0 0
+1454 30 0.65 0.75 0.21875 0 0 0
+1455 1 0.68073 0.773785 0.21875 0 0 0
+1456 1 0.61927 0.773785 0.21875 0 0 0
+1457 30 0.75 0.75 0.53125 0 0 0
+1458 1 0.78073 0.773785 0.53125 0 0 0
+1459 1 0.71927 0.773785 0.53125 0 0 0
+1460 30 0.75 0.65 0.59375 0 0 0
+1461 1 0.78073 0.673785 0.59375 0 0 0
+1462 1 0.71927 0.673785 0.59375 0 0 0
+1463 30 0.65 0.75 0.59375 0 0 0
+1464 1 0.68073 0.773785 0.59375 0 0 0
+1465 1 0.61927 0.773785 0.59375 0 0 0
+1466 30 0.65 0.65 0.65625 0 0 0
+1467 1 0.68073 0.673785 0.65625 0 0 0
+1468 1 0.61927 0.673785 0.65625 0 0 0
+1469 38 0.75 0.75 0.65625 0 0 0
+1470 30 0.75 0.65 0.71875 0 0 0
+1471 1 0.78073 0.673785 0.71875 0 0 0
+1472 1 0.71927 0.673785 0.71875 0 0 0
+1473 30 0.65 0.75 0.71875 0 0 0
+1474 1 0.68073 0.773785 0.71875 0 0 0
+1475 1 0.61927 0.773785 0.71875 0 0 0
+1476 30 0.75 0.75 0.78125 0 0 0
+1477 1 0.78073 0.773785 0.78125 0 0 0
+1478 1 0.71927 0.773785 0.78125 0 0 0
+1479 30 0.75 0.65 0.84375 0 0 0
+1480 1 0.78073 0.673785 0.84375 0 0 0
+1481 1 0.71927 0.673785 0.84375 0 0 0
+1482 30 0.65 0.75 0.84375 0 0 0
+1483 1 0.68073 0.773785 0.84375 0 0 0
+1484 1 0.61927 0.773785 0.84375 0 0 0
+1485 30 0.65 0.65 0.90625 0 0 0
+1486 1 0.68073 0.673785 0.90625 0 0 0
+1487 1 0.61927 0.673785 0.90625 0 0 0
+1488 30 0.75 0.75 0.90625 0 0 0
+1489 1 0.78073 0.773785 0.90625 0 0 0
+1490 1 0.71927 0.773785 0.90625 0 0 0
+1491 30 0.75 0.65 0.96875 0 0 0
+1492 1 0.78073 0.673785 0.96875 0 0 0
+1493 1 0.71927 0.673785 0.96875 0 0 0
+1494 30 0.65 0.75 0.96875 0 0 0
+1495 1 0.68073 0.773785 0.96875 0 0 0
+1496 1 0.61927 0.773785 0.96875 0 0 0
+1497 30 0.75 0.95 0.03125 0 0 0
+1498 1 0.78073 0.973785 0.03125 0 0 0
+1499 1 0.71927 0.973785 0.03125 0 0 0
+1500 30 0.75 0.85 0.09375 0 0 0
+1501 1 0.78073 0.873785 0.09375 0 0 0
+1502 1 0.71927 0.873785 0.09375 0 0 0
+1503 30 0.65 0.95 0.09375 0 0 0
+1504 1 0.68073 0.973785 0.09375 0 0 0
+1505 1 0.61927 0.973785 0.09375 0 0 0
+1506 30 0.65 0.85 0.15625 0 0 0
+1507 1 0.68073 0.873785 0.15625 0 0 0
+1508 1 0.61927 0.873785 0.15625 0 0 0
+1509 30 0.75 0.95 0.15625 0 0 0
+1510 1 0.78073 0.973785 0.15625 0 0 0
+1511 1 0.71927 0.973785 0.15625 0 0 0
+1512 30 0.75 0.85 0.21875 0 0 0
+1513 1 0.78073 0.873785 0.21875 0 0 0
+1514 1 0.71927 0.873785 0.21875 0 0 0
+1515 30 0.65 0.95 0.21875 0 0 0
+1516 1 0.68073 0.973785 0.21875 0 0 0
+1517 1 0.61927 0.973785 0.21875 0 0 0
+1518 30 0.75 0.95 0.28125 0 0 0
+1519 1 0.78073 0.973785 0.28125 0 0 0
+1520 1 0.71927 0.973785 0.28125 0 0 0
+1521 30 0.75 0.95 0.40625 0 0 0
+1522 1 0.78073 0.973785 0.40625 0 0 0
+1523 1 0.71927 0.973785 0.40625 0 0 0
+1524 30 0.75 0.85 0.46875 0 0 0
+1525 1 0.78073 0.873785 0.46875 0 0 0
+1526 1 0.71927 0.873785 0.46875 0 0 0
+1527 30 0.65 0.85 0.53125 0 0 0
+1528 1 0.68073 0.873785 0.53125 0 0 0
+1529 1 0.61927 0.873785 0.53125 0 0 0
+1530 30 0.75 0.95 0.53125 0 0 0
+1531 1 0.78073 0.973785 0.53125 0 0 0
+1532 1 0.71927 0.973785 0.53125 0 0 0
+1533 30 0.75 0.85 0.59375 0 0 0
+1534 1 0.78073 0.873785 0.59375 0 0 0
+1535 1 0.71927 0.873785 0.59375 0 0 0
+1536 30 0.65 0.95 0.59375 0 0 0
+1537 1 0.68073 0.973785 0.59375 0 0 0
+1538 1 0.61927 0.973785 0.59375 0 0 0
+1539 30 0.65 0.85 0.65625 0 0 0
+1540 1 0.68073 0.873785 0.65625 0 0 0
+1541 1 0.61927 0.873785 0.65625 0 0 0
+1542 30 0.75 0.95 0.65625 0 0 0
+1543 1 0.78073 0.973785 0.65625 0 0 0
+1544 1 0.71927 0.973785 0.65625 0 0 0
+1545 30 0.75 0.85 0.71875 0 0 0
+1546 1 0.78073 0.873785 0.71875 0 0 0
+1547 1 0.71927 0.873785 0.71875 0 0 0
+1548 30 0.65 0.95 0.71875 0 0 0
+1549 1 0.68073 0.973785 0.71875 0 0 0
+1550 1 0.61927 0.973785 0.71875 0 0 0
+1551 30 0.65 0.85 0.78125 0 0 0
+1552 1 0.68073 0.873785 0.78125 0 0 0
+1553 1 0.61927 0.873785 0.78125 0 0 0
+1554 30 0.75 0.95 0.78125 0 0 0
+1555 1 0.78073 0.973785 0.78125 0 0 0
+1556 1 0.71927 0.973785 0.78125 0 0 0
+1557 30 0.75 0.85 0.84375 0 0 0
+1558 1 0.78073 0.873785 0.84375 0 0 0
+1559 1 0.71927 0.873785 0.84375 0 0 0
+1560 30 0.65 0.95 0.84375 0 0 0
+1561 1 0.68073 0.973785 0.84375 0 0 0
+1562 1 0.61927 0.973785 0.84375 0 0 0
+1563 30 0.65 0.85 0.90625 0 0 0
+1564 1 0.68073 0.873785 0.90625 0 0 0
+1565 1 0.61927 0.873785 0.90625 0 0 0
+1566 30 0.75 0.95 0.90625 0 0 0
+1567 1 0.78073 0.973785 0.90625 0 0 0
+1568 1 0.71927 0.973785 0.90625 0 0 0
+1569 30 0.75 0.85 0.96875 0 0 0
+1570 1 0.78073 0.873785 0.96875 0 0 0
+1571 1 0.71927 0.873785 0.96875 0 0 0
+1572 30 0.65 0.95 0.96875 0 0 0
+1573 1 0.68073 0.973785 0.96875 0 0 0
+1574 1 0.61927 0.973785 0.96875 0 0 0
+1575 30 0.85 0.05 0.03125 0 0 0
+1576 1 0.88073 0.0737854 0.03125 0 0 0
+1577 1 0.81927 0.0737854 0.03125 0 0 0
+1578 30 0.95 0.15 0.03125 0 0 0
+1579 1 0.98073 0.173785 0.03125 0 0 0
+1580 1 0.91927 0.173785 0.03125 0 0 0
+1581 30 0.95 0.05 0.09375 0 0 0
+1582 1 0.98073 0.0737854 0.09375 0 0 0
+1583 1 0.91927 0.0737854 0.09375 0 0 0
+1584 30 0.95 0.15 0.15625 0 0 0
+1585 1 0.98073 0.173785 0.15625 0 0 0
+1586 1 0.91927 0.173785 0.15625 0 0 0
+1587 30 0.95 0.05 0.21875 0 0 0
+1588 1 0.98073 0.0737854 0.21875 0 0 0
+1589 1 0.91927 0.0737854 0.21875 0 0 0
+1590 30 0.85 0.05 0.28125 0 0 0
+1591 1 0.88073 0.0737854 0.28125 0 0 0
+1592 1 0.81927 0.0737854 0.28125 0 0 0
+1593 30 0.95 0.15 0.28125 0 0 0
+1594 1 0.98073 0.173785 0.28125 0 0 0
+1595 1 0.91927 0.173785 0.28125 0 0 0
+1596 30 0.95 0.05 0.34375 0 0 0
+1597 1 0.98073 0.0737854 0.34375 0 0 0
+1598 1 0.91927 0.0737854 0.34375 0 0 0
+1599 30 0.85 0.15 0.34375 0 0 0
+1600 1 0.88073 0.173785 0.34375 0 0 0
+1601 1 0.81927 0.173785 0.34375 0 0 0
+1602 30 0.85 0.05 0.40625 0 0 0
+1603 1 0.88073 0.0737854 0.40625 0 0 0
+1604 1 0.81927 0.0737854 0.40625 0 0 0
+1605 30 0.95 0.15 0.40625 0 0 0
+1606 1 0.98073 0.173785 0.40625 0 0 0
+1607 1 0.91927 0.173785 0.40625 0 0 0
+1608 30 0.95 0.05 0.46875 0 0 0
+1609 1 0.98073 0.0737854 0.46875 0 0 0
+1610 1 0.91927 0.0737854 0.46875 0 0 0
+1611 30 0.85 0.15 0.46875 0 0 0
+1612 1 0.88073 0.173785 0.46875 0 0 0
+1613 1 0.81927 0.173785 0.46875 0 0 0
+1614 30 0.85 0.05 0.53125 0 0 0
+1615 1 0.88073 0.0737854 0.53125 0 0 0
+1616 1 0.81927 0.0737854 0.53125 0 0 0
+1617 30 0.95 0.15 0.53125 0 0 0
+1618 1 0.98073 0.173785 0.53125 0 0 0
+1619 1 0.91927 0.173785 0.53125 0 0 0
+1620 30 0.95 0.05 0.59375 0 0 0
+1621 1 0.98073 0.0737854 0.59375 0 0 0
+1622 1 0.91927 0.0737854 0.59375 0 0 0
+1623 30 0.85 0.15 0.59375 0 0 0
+1624 1 0.88073 0.173785 0.59375 0 0 0
+1625 1 0.81927 0.173785 0.59375 0 0 0
+1626 30 0.85 0.05 0.65625 0 0 0
+1627 1 0.88073 0.0737854 0.65625 0 0 0
+1628 1 0.81927 0.0737854 0.65625 0 0 0
+1629 30 0.95 0.15 0.65625 0 0 0
+1630 1 0.98073 0.173785 0.65625 0 0 0
+1631 1 0.91927 0.173785 0.65625 0 0 0
+1632 30 0.95 0.05 0.71875 0 0 0
+1633 1 0.98073 0.0737854 0.71875 0 0 0
+1634 1 0.91927 0.0737854 0.71875 0 0 0
+1635 30 0.85 0.15 0.71875 0 0 0
+1636 1 0.88073 0.173785 0.71875 0 0 0
+1637 1 0.81927 0.173785 0.71875 0 0 0
+1638 30 0.85 0.05 0.78125 0 0 0
+1639 1 0.88073 0.0737854 0.78125 0 0 0
+1640 1 0.81927 0.0737854 0.78125 0 0 0
+1641 30 0.95 0.15 0.78125 0 0 0
+1642 1 0.98073 0.173785 0.78125 0 0 0
+1643 1 0.91927 0.173785 0.78125 0 0 0
+1644 30 0.95 0.05 0.84375 0 0 0
+1645 1 0.98073 0.0737854 0.84375 0 0 0
+1646 1 0.91927 0.0737854 0.84375 0 0 0
+1647 30 0.85 0.15 0.84375 0 0 0
+1648 1 0.88073 0.173785 0.84375 0 0 0
+1649 1 0.81927 0.173785 0.84375 0 0 0
+1650 30 0.85 0.05 0.90625 0 0 0
+1651 1 0.88073 0.0737854 0.90625 0 0 0
+1652 1 0.81927 0.0737854 0.90625 0 0 0
+1653 30 0.95 0.15 0.90625 0 0 0
+1654 1 0.98073 0.173785 0.90625 0 0 0
+1655 1 0.91927 0.173785 0.90625 0 0 0
+1656 30 0.95 0.05 0.96875 0 0 0
+1657 1 0.98073 0.0737854 0.96875 0 0 0
+1658 1 0.91927 0.0737854 0.96875 0 0 0
+1659 30 0.85 0.15 0.96875 0 0 0
+1660 1 0.88073 0.173785 0.96875 0 0 0
+1661 1 0.81927 0.173785 0.96875 0 0 0
+1662 30 0.95 0.35 0.03125 0 0 0
+1663 1 0.98073 0.373785 0.03125 0 0 0
+1664 1 0.91927 0.373785 0.03125 0 0 0
+1665 30 0.95 0.35 0.28125 0 0 0
+1666 1 0.98073 0.373785 0.28125 0 0 0
+1667 1 0.91927 0.373785 0.28125 0 0 0
+1668 30 0.95 0.25 0.34375 0 0 0
+1669 1 0.98073 0.273785 0.34375 0 0 0
+1670 1 0.91927 0.273785 0.34375 0 0 0
+1671 30 0.85 0.35 0.34375 0 0 0
+1672 1 0.88073 0.373785 0.34375 0 0 0
+1673 1 0.81927 0.373785 0.34375 0 0 0
+1674 30 0.85 0.25 0.40625 0 0 0
+1675 1 0.88073 0.273785 0.40625 0 0 0
+1676 1 0.81927 0.273785 0.40625 0 0 0
+1677 30 0.95 0.35 0.40625 0 0 0
+1678 1 0.98073 0.373785 0.40625 0 0 0
+1679 1 0.91927 0.373785 0.40625 0 0 0
+1680 30 0.95 0.25 0.46875 0 0 0
+1681 1 0.98073 0.273785 0.46875 0 0 0
+1682 1 0.91927 0.273785 0.46875 0 0 0
+1683 30 0.85 0.35 0.46875 0 0 0
+1684 1 0.88073 0.373785 0.46875 0 0 0
+1685 1 0.81927 0.373785 0.46875 0 0 0
+1686 30 0.85 0.25 0.53125 0 0 0
+1687 1 0.88073 0.273785 0.53125 0 0 0
+1688 1 0.81927 0.273785 0.53125 0 0 0
+1689 30 0.95 0.35 0.53125 0 0 0
+1690 1 0.98073 0.373785 0.53125 0 0 0
+1691 1 0.91927 0.373785 0.53125 0 0 0
+1692 30 0.95 0.25 0.59375 0 0 0
+1693 1 0.98073 0.273785 0.59375 0 0 0
+1694 1 0.91927 0.273785 0.59375 0 0 0
+1695 30 0.85 0.35 0.59375 0 0 0
+1696 1 0.88073 0.373785 0.59375 0 0 0
+1697 1 0.81927 0.373785 0.59375 0 0 0
+1698 30 0.85 0.25 0.65625 0 0 0
+1699 1 0.88073 0.273785 0.65625 0 0 0
+1700 1 0.81927 0.273785 0.65625 0 0 0
+1701 30 0.95 0.35 0.65625 0 0 0
+1702 1 0.98073 0.373785 0.65625 0 0 0
+1703 1 0.91927 0.373785 0.65625 0 0 0
+1704 30 0.95 0.25 0.71875 0 0 0
+1705 1 0.98073 0.273785 0.71875 0 0 0
+1706 1 0.91927 0.273785 0.71875 0 0 0
+1707 30 0.85 0.35 0.71875 0 0 0
+1708 1 0.88073 0.373785 0.71875 0 0 0
+1709 1 0.81927 0.373785 0.71875 0 0 0
+1710 30 0.85 0.25 0.78125 0 0 0
+1711 1 0.88073 0.273785 0.78125 0 0 0
+1712 1 0.81927 0.273785 0.78125 0 0 0
+1713 30 0.95 0.35 0.78125 0 0 0
+1714 1 0.98073 0.373785 0.78125 0 0 0
+1715 1 0.91927 0.373785 0.78125 0 0 0
+1716 30 0.95 0.25 0.84375 0 0 0
+1717 1 0.98073 0.273785 0.84375 0 0 0
+1718 1 0.91927 0.273785 0.84375 0 0 0
+1719 30 0.85 0.35 0.84375 0 0 0
+1720 1 0.88073 0.373785 0.84375 0 0 0
+1721 1 0.81927 0.373785 0.84375 0 0 0
+1722 38 0.85 0.25 0.90625 0 0 0
+1723 30 0.95 0.35 0.90625 0 0 0
+1724 1 0.98073 0.373785 0.90625 0 0 0
+1725 1 0.91927 0.373785 0.90625 0 0 0
+1726 30 0.95 0.25 0.96875 0 0 0
+1727 1 0.98073 0.273785 0.96875 0 0 0
+1728 1 0.91927 0.273785 0.96875 0 0 0
+1729 30 0.85 0.35 0.96875 0 0 0
+1730 1 0.88073 0.373785 0.96875 0 0 0
+1731 1 0.81927 0.373785 0.96875 0 0 0
+1732 30 0.85 0.45 0.03125 0 0 0
+1733 1 0.88073 0.473785 0.03125 0 0 0
+1734 1 0.81927 0.473785 0.03125 0 0 0
+1735 30 0.95 0.55 0.03125 0 0 0
+1736 1 0.98073 0.573785 0.03125 0 0 0
+1737 1 0.91927 0.573785 0.03125 0 0 0
+1738 30 0.95 0.45 0.09375 0 0 0
+1739 1 0.98073 0.473785 0.09375 0 0 0
+1740 1 0.91927 0.473785 0.09375 0 0 0
+1741 30 0.85 0.55 0.09375 0 0 0
+1742 1 0.88073 0.573785 0.09375 0 0 0
+1743 1 0.81927 0.573785 0.09375 0 0 0
+1744 30 0.95 0.55 0.15625 0 0 0
+1745 1 0.98073 0.573785 0.15625 0 0 0
+1746 1 0.91927 0.573785 0.15625 0 0 0
+1747 30 0.85 0.45 0.40625 0 0 0
+1748 1 0.88073 0.473785 0.40625 0 0 0
+1749 1 0.81927 0.473785 0.40625 0 0 0
+1750 30 0.95 0.55 0.40625 0 0 0
+1751 1 0.98073 0.573785 0.40625 0 0 0
+1752 1 0.91927 0.573785 0.40625 0 0 0
+1753 30 0.95 0.45 0.46875 0 0 0
+1754 1 0.98073 0.473785 0.46875 0 0 0
+1755 1 0.91927 0.473785 0.46875 0 0 0
+1756 30 0.85 0.55 0.46875 0 0 0
+1757 1 0.88073 0.573785 0.46875 0 0 0
+1758 1 0.81927 0.573785 0.46875 0 0 0
+1759 30 0.85 0.45 0.53125 0 0 0
+1760 1 0.88073 0.473785 0.53125 0 0 0
+1761 1 0.81927 0.473785 0.53125 0 0 0
+1762 30 0.95 0.55 0.53125 0 0 0
+1763 1 0.98073 0.573785 0.53125 0 0 0
+1764 1 0.91927 0.573785 0.53125 0 0 0
+1765 30 0.95 0.45 0.59375 0 0 0
+1766 1 0.98073 0.473785 0.59375 0 0 0
+1767 1 0.91927 0.473785 0.59375 0 0 0
+1768 30 0.85 0.55 0.59375 0 0 0
+1769 1 0.88073 0.573785 0.59375 0 0 0
+1770 1 0.81927 0.573785 0.59375 0 0 0
+1771 30 0.85 0.45 0.65625 0 0 0
+1772 1 0.88073 0.473785 0.65625 0 0 0
+1773 1 0.81927 0.473785 0.65625 0 0 0
+1774 30 0.95 0.55 0.65625 0 0 0
+1775 1 0.98073 0.573785 0.65625 0 0 0
+1776 1 0.91927 0.573785 0.65625 0 0 0
+1777 30 0.95 0.45 0.71875 0 0 0
+1778 1 0.98073 0.473785 0.71875 0 0 0
+1779 1 0.91927 0.473785 0.71875 0 0 0
+1780 30 0.85 0.55 0.71875 0 0 0
+1781 1 0.88073 0.573785 0.71875 0 0 0
+1782 1 0.81927 0.573785 0.71875 0 0 0
+1783 38 0.85 0.45 0.78125 0 0 0
+1784 30 0.95 0.55 0.78125 0 0 0
+1785 1 0.98073 0.573785 0.78125 0 0 0
+1786 1 0.91927 0.573785 0.78125 0 0 0
+1787 30 0.95 0.45 0.84375 0 0 0
+1788 1 0.98073 0.473785 0.84375 0 0 0
+1789 1 0.91927 0.473785 0.84375 0 0 0
+1790 30 0.85 0.55 0.84375 0 0 0
+1791 1 0.88073 0.573785 0.84375 0 0 0
+1792 1 0.81927 0.573785 0.84375 0 0 0
+1793 30 0.85 0.45 0.90625 0 0 0
+1794 1 0.88073 0.473785 0.90625 0 0 0
+1795 1 0.81927 0.473785 0.90625 0 0 0
+1796 30 0.95 0.55 0.90625 0 0 0
+1797 1 0.98073 0.573785 0.90625 0 0 0
+1798 1 0.91927 0.573785 0.90625 0 0 0
+1799 30 0.95 0.45 0.96875 0 0 0
+1800 1 0.98073 0.473785 0.96875 0 0 0
+1801 1 0.91927 0.473785 0.96875 0 0 0
+1802 30 0.85 0.55 0.96875 0 0 0
+1803 1 0.88073 0.573785 0.96875 0 0 0
+1804 1 0.81927 0.573785 0.96875 0 0 0
+1805 30 0.85 0.65 0.03125 0 0 0
+1806 1 0.88073 0.673785 0.03125 0 0 0
+1807 1 0.81927 0.673785 0.03125 0 0 0
+1808 30 0.95 0.75 0.03125 0 0 0
+1809 1 0.98073 0.773785 0.03125 0 0 0
+1810 1 0.91927 0.773785 0.03125 0 0 0
+1811 38 0.95 0.65 0.09375 0 0 0
+1812 30 0.85 0.75 0.09375 0 0 0
+1813 1 0.88073 0.773785 0.09375 0 0 0
+1814 1 0.81927 0.773785 0.09375 0 0 0
+1815 30 0.85 0.65 0.15625 0 0 0
+1816 1 0.88073 0.673785 0.15625 0 0 0
+1817 1 0.81927 0.673785 0.15625 0 0 0
+1818 30 0.95 0.75 0.15625 0 0 0
+1819 1 0.98073 0.773785 0.15625 0 0 0
+1820 1 0.91927 0.773785 0.15625 0 0 0
+1821 30 0.95 0.75 0.28125 0 0 0
+1822 1 0.98073 0.773785 0.28125 0 0 0
+1823 1 0.91927 0.773785 0.28125 0 0 0
+1824 30 0.95 0.65 0.34375 0 0 0
+1825 1 0.98073 0.673785 0.34375 0 0 0
+1826 1 0.91927 0.673785 0.34375 0 0 0
+1827 30 0.95 0.75 0.40625 0 0 0
+1828 1 0.98073 0.773785 0.40625 0 0 0
+1829 1 0.91927 0.773785 0.40625 0 0 0
+1830 30 0.95 0.65 0.46875 0 0 0
+1831 1 0.98073 0.673785 0.46875 0 0 0
+1832 1 0.91927 0.673785 0.46875 0 0 0
+1833 30 0.85 0.75 0.46875 0 0 0
+1834 1 0.88073 0.773785 0.46875 0 0 0
+1835 1 0.81927 0.773785 0.46875 0 0 0
+1836 30 0.85 0.65 0.53125 0 0 0
+1837 1 0.88073 0.673785 0.53125 0 0 0
+1838 1 0.81927 0.673785 0.53125 0 0 0
+1839 30 0.95 0.75 0.53125 0 0 0
+1840 1 0.98073 0.773785 0.53125 0 0 0
+1841 1 0.91927 0.773785 0.53125 0 0 0
+1842 30 0.95 0.65 0.59375 0 0 0
+1843 1 0.98073 0.673785 0.59375 0 0 0
+1844 1 0.91927 0.673785 0.59375 0 0 0
+1845 38 0.85 0.75 0.59375 0 0 0
+1846 30 0.85 0.65 0.65625 0 0 0
+1847 1 0.88073 0.673785 0.65625 0 0 0
+1848 1 0.81927 0.673785 0.65625 0 0 0
+1849 30 0.95 0.75 0.65625 0 0 0
+1850 1 0.98073 0.773785 0.65625 0 0 0
+1851 1 0.91927 0.773785 0.65625 0 0 0
+1852 30 0.95 0.65 0.71875 0 0 0
+1853 1 0.98073 0.673785 0.71875 0 0 0
+1854 1 0.91927 0.673785 0.71875 0 0 0
+1855 30 0.85 0.75 0.71875 0 0 0
+1856 1 0.88073 0.773785 0.71875 0 0 0
+1857 1 0.81927 0.773785 0.71875 0 0 0
+1858 30 0.85 0.65 0.78125 0 0 0
+1859 1 0.88073 0.673785 0.78125 0 0 0
+1860 1 0.81927 0.673785 0.78125 0 0 0
+1861 30 0.95 0.75 0.78125 0 0 0
+1862 1 0.98073 0.773785 0.78125 0 0 0
+1863 1 0.91927 0.773785 0.78125 0 0 0
+1864 30 0.95 0.65 0.84375 0 0 0
+1865 1 0.98073 0.673785 0.84375 0 0 0
+1866 1 0.91927 0.673785 0.84375 0 0 0
+1867 30 0.85 0.75 0.84375 0 0 0
+1868 1 0.88073 0.773785 0.84375 0 0 0
+1869 1 0.81927 0.773785 0.84375 0 0 0
+1870 30 0.85 0.65 0.90625 0 0 0
+1871 1 0.88073 0.673785 0.90625 0 0 0
+1872 1 0.81927 0.673785 0.90625 0 0 0
+1873 30 0.95 0.75 0.90625 0 0 0
+1874 1 0.98073 0.773785 0.90625 0 0 0
+1875 1 0.91927 0.773785 0.90625 0 0 0
+1876 30 0.95 0.65 0.96875 0 0 0
+1877 1 0.98073 0.673785 0.96875 0 0 0
+1878 1 0.91927 0.673785 0.96875 0 0 0
+1879 30 0.85 0.75 0.96875 0 0 0
+1880 1 0.88073 0.773785 0.96875 0 0 0
+1881 1 0.81927 0.773785 0.96875 0 0 0
+1882 30 0.85 0.85 0.03125 0 0 0
+1883 1 0.88073 0.873785 0.03125 0 0 0
+1884 1 0.81927 0.873785 0.03125 0 0 0
+1885 30 0.95 0.95 0.03125 0 0 0
+1886 1 0.98073 0.973785 0.03125 0 0 0
+1887 1 0.91927 0.973785 0.03125 0 0 0
+1888 30 0.95 0.85 0.09375 0 0 0
+1889 1 0.98073 0.873785 0.09375 0 0 0
+1890 1 0.91927 0.873785 0.09375 0 0 0
+1891 30 0.85 0.95 0.09375 0 0 0
+1892 1 0.88073 0.973785 0.09375 0 0 0
+1893 1 0.81927 0.973785 0.09375 0 0 0
+1894 30 0.85 0.85 0.15625 0 0 0
+1895 1 0.88073 0.873785 0.15625 0 0 0
+1896 1 0.81927 0.873785 0.15625 0 0 0
+1897 30 0.95 0.95 0.15625 0 0 0
+1898 1 0.98073 0.973785 0.15625 0 0 0
+1899 1 0.91927 0.973785 0.15625 0 0 0
+1900 30 0.95 0.85 0.21875 0 0 0
+1901 1 0.98073 0.873785 0.21875 0 0 0
+1902 1 0.91927 0.873785 0.21875 0 0 0
+1903 30 0.85 0.95 0.21875 0 0 0
+1904 1 0.88073 0.973785 0.21875 0 0 0
+1905 1 0.81927 0.973785 0.21875 0 0 0
+1906 30 0.95 0.95 0.28125 0 0 0
+1907 1 0.98073 0.973785 0.28125 0 0 0
+1908 1 0.91927 0.973785 0.28125 0 0 0
+1909 30 0.95 0.85 0.34375 0 0 0
+1910 1 0.98073 0.873785 0.34375 0 0 0
+1911 1 0.91927 0.873785 0.34375 0 0 0
+1912 30 0.85 0.95 0.34375 0 0 0
+1913 1 0.88073 0.973785 0.34375 0 0 0
+1914 1 0.81927 0.973785 0.34375 0 0 0
+1915 38 0.85 0.85 0.40625 0 0 0
+1916 30 0.95 0.95 0.40625 0 0 0
+1917 1 0.98073 0.973785 0.40625 0 0 0
+1918 1 0.91927 0.973785 0.40625 0 0 0
+1919 30 0.95 0.85 0.46875 0 0 0
+1920 1 0.98073 0.873785 0.46875 0 0 0
+1921 1 0.91927 0.873785 0.46875 0 0 0
+1922 30 0.85 0.95 0.46875 0 0 0
+1923 1 0.88073 0.973785 0.46875 0 0 0
+1924 1 0.81927 0.973785 0.46875 0 0 0
+1925 30 0.85 0.85 0.53125 0 0 0
+1926 1 0.88073 0.873785 0.53125 0 0 0
+1927 1 0.81927 0.873785 0.53125 0 0 0
+1928 30 0.95 0.95 0.53125 0 0 0
+1929 1 0.98073 0.973785 0.53125 0 0 0
+1930 1 0.91927 0.973785 0.53125 0 0 0
+1931 30 0.95 0.85 0.59375 0 0 0
+1932 1 0.98073 0.873785 0.59375 0 0 0
+1933 1 0.91927 0.873785 0.59375 0 0 0
+1934 38 0.85 0.95 0.59375 0 0 0
+1935 30 0.85 0.85 0.65625 0 0 0
+1936 1 0.88073 0.873785 0.65625 0 0 0
+1937 1 0.81927 0.873785 0.65625 0 0 0
+1938 30 0.95 0.95 0.65625 0 0 0
+1939 1 0.98073 0.973785 0.65625 0 0 0
+1940 1 0.91927 0.973785 0.65625 0 0 0
+1941 30 0.95 0.85 0.71875 0 0 0
+1942 1 0.98073 0.873785 0.71875 0 0 0
+1943 1 0.91927 0.873785 0.71875 0 0 0
+1944 30 0.85 0.95 0.71875 0 0 0
+1945 1 0.88073 0.973785 0.71875 0 0 0
+1946 1 0.81927 0.973785 0.71875 0 0 0
+1947 30 0.85 0.85 0.78125 0 0 0
+1948 1 0.88073 0.873785 0.78125 0 0 0
+1949 1 0.81927 0.873785 0.78125 0 0 0
+1950 30 0.95 0.95 0.78125 0 0 0
+1951 1 0.98073 0.973785 0.78125 0 0 0
+1952 1 0.91927 0.973785 0.78125 0 0 0
+1953 30 0.95 0.85 0.84375 0 0 0
+1954 1 0.98073 0.873785 0.84375 0 0 0
+1955 1 0.91927 0.873785 0.84375 0 0 0
+1956 30 0.85 0.95 0.84375 0 0 0
+1957 1 0.88073 0.973785 0.84375 0 0 0
+1958 1 0.81927 0.973785 0.84375 0 0 0
+1959 30 0.85 0.85 0.90625 0 0 0
+1960 1 0.88073 0.873785 0.90625 0 0 0
+1961 1 0.81927 0.873785 0.90625 0 0 0
+1962 30 0.95 0.95 0.90625 0 0 0
+1963 1 0.98073 0.973785 0.90625 0 0 0
+1964 1 0.91927 0.973785 0.90625 0 0 0
+1965 38 0.95 0.85 0.96875 0 0 0
+1966 30 0.85 0.95 0.96875 0 0 0
+1967 1 0.88073 0.973785 0.96875 0 0 0
+1968 1 0.81927 0.973785 0.96875 0 0 0
+ITEM: TIMESTEP
+10
+ITEM: NUMBER OF ATOMS
+1968
+ITEM: BOX BOUNDS
+-14.087 10.545
+-1.88253 22.7495
+-5.44214 33.9691
+ITEM: ATOMS
+1 37 0.724895 0.0980423 0.139628 0 0 0
+2 34 0.678181 0.086169 0.142677 0 0 0
+3 34 0.759409 0.0637863 0.144815 0 0 0
+4 33 0.73331 0.156405 0.128052 0 0 0
+5 19 0.776633 0.168808 0.105298 0 0 0
+6 7 0.761201 0.168643 0.0788097 0 0 0
+7 7 0.810297 0.138939 0.107166 0 0 0
+8 17 0.801232 0.224541 0.112064 0 0 0
+9 6 0.842428 0.227277 0.100715 0 0 0
+10 36 0.767903 0.267049 0.0970748 0 0 0
+11 18 0.749969 0.30385 0.123043 0 0 0
+12 6 0.773625 0.341917 0.119877 0 0 0
+13 22 0.691983 0.317796 0.11916 0 0 0
+14 15 0.615044 0.362053 0.113402 0 0 0
+15 29 0.601469 0.307281 0.112045 0 0 0
+16 14 0.648608 0.283717 0.11566 0 0 0
+17 4 0.654287 0.239833 0.115898 0 0 0
+18 27 0.610161 0.457422 0.113337 0 0 0
+19 14 0.664162 0.458358 0.117804 0 0 0
+20 4 0.682875 0.49832 0.119878 0 0 0
+21 27 0.697305 0.415783 0.119997 0 0 0
+22 15 0.670455 0.368938 0.117794 0 0 0
+23 11 0.584159 0.409659 0.111184 0 0 0
+24 21 0.530185 0.409422 0.106625 0 0 0
+25 2 0.510201 0.444747 0.10603 0 0 0
+26 2 0.510506 0.373978 0.105281 0 0 0
+27 18 0.766485 0.283013 0.158724 0 0 0
+28 6 0.793094 0.297915 0.137955 0 0 0
+29 35 0.764376 0.309162 0.176218 0 0 0
+30 5 0.733772 0.306853 0.19123 0 0 0
+31 17 0.804966 0.236234 0.150168 0 0 0
+32 6 0.797328 0.198351 0.164704 0 0 0
+33 33 0.858462 0.256682 0.158938 0 0 0
+34 37 0.871391 0.271552 0.198095 0 0 0
+35 34 0.930733 0.270008 0.202152 0 0 0
+36 34 0.836507 0.237133 0.220188 0 0 0
+37 33 0.855097 0.334255 0.201819 0 0 0
+38 19 0.867627 0.372715 0.175591 0 0 0
+39 7 0.849235 0.363919 0.150445 0 0 0
+40 7 0.912444 0.371729 0.172477 0 0 0
+41 17 0.851077 0.430363 0.185058 0 0 0
+42 6 0.876548 0.459924 0.17092 0 0 0
+43 36 0.794439 0.440917 0.176432 0 0 0
+44 18 0.765566 0.458599 0.206096 0 0 0
+45 6 0.760643 0.503178 0.203107 0 0 0
+46 23 0.710816 0.433598 0.207739 0 0 0
+47 12 0.703672 0.379088 0.210474 0 0 0
+48 4 0.740243 0.357862 0.218629 0 0 0
+49 10 0.66675 0.468047 0.204739 0 0 0
+50 31 0.671558 0.517162 0.202784 0 0 0
+51 24 0.616506 0.442818 0.20421 0 0 0
+52 3 0.58522 0.469118 0.202153 0 0 0
+53 9 0.606674 0.388188 0.206522 0 0 0
+54 31 0.559606 0.370403 0.205562 0 0 0
+55 13 0.655018 0.354838 0.209903 0 0 0
+56 20 0.650154 0.294154 0.211919 0 0 0
+57 8 0.62067 0.28231 0.231927 0 0 0
+58 8 0.689845 0.275389 0.218378 0 0 0
+59 8 0.636055 0.277257 0.187312 0 0 0
+60 18 0.801271 0.453145 0.238525 0 0 0
+61 6 0.806373 0.47938 0.215817 0 0 0
+62 35 0.789618 0.472652 0.258283 0 0 0
+63 5 0.77073 0.450978 0.274729 0 0 0
+64 17 0.857169 0.440829 0.223181 0 0 0
+65 6 0.879258 0.406454 0.235118 0 0 0
+66 33 0.887588 0.490371 0.22908 0 0 0
+67 37 0.896806 0.511191 0.267579 0 0 0
+68 34 0.948545 0.539588 0.268683 0 0 0
+69 34 0.886207 0.464667 0.291252 0 0 0
+70 33 0.848835 0.555614 0.271787 0 0 0
+71 19 0.844836 0.600197 0.249151 0 0 0
+72 7 0.83756 0.586436 0.222693 0 0 0
+73 7 0.883738 0.622983 0.249988 0 0 0
+74 17 0.799107 0.639353 0.258362 0 0 0
+75 6 0.803098 0.677151 0.243184 0 0 0
+76 36 0.746 0.615872 0.25113 0 0 0
+77 18 0.71276 0.617868 0.280995 0 0 0
+78 6 0.684717 0.652599 0.276957 0 0 0
+79 22 0.680404 0.5678 0.284968 0 0 0
+80 12 0.704565 0.518526 0.289329 0 0 0
+81 4 0.74744 0.523792 0.29533 0 0 0
+82 12 0.675765 0.472683 0.291508 0 0 0
+83 4 0.695057 0.43315 0.294516 0 0 0
+84 9 0.624395 0.571782 0.283223 0 0 0
+85 32 0.602694 0.6166 0.279854 0 0 0
+86 26 0.594308 0.525761 0.28562 0 0 0
+87 11 0.618238 0.477654 0.289437 0 0 0
+88 21 0.587295 0.433042 0.291491 0 0 0
+89 2 0.604057 0.39626 0.293852 0 0 0
+90 2 0.546982 0.437222 0.290013 0 0 0
+91 18 0.746343 0.635635 0.312569 0 0 0
+92 6 0.737326 0.658049 0.288764 0 0 0
+93 35 0.726217 0.646649 0.332237 0 0 0
+94 5 0.723908 0.619277 0.349516 0 0 0
+95 17 0.799822 0.654053 0.296152 0 0 0
+96 6 0.83729 0.637005 0.307675 0 0 0
+97 33 0.799251 0.712563 0.300478 0 0 0
+98 37 0.797121 0.737774 0.337984 0 0 0
+99 34 0.82284 0.791553 0.337102 0 0 0
+100 34 0.817044 0.696399 0.362792 0 0 0
+101 33 0.733076 0.747793 0.34372 0 0 0
+102 19 0.700156 0.767141 0.316256 0 0 0
+103 7 0.698323 0.738834 0.294339 0 0 0
+104 7 0.718215 0.805738 0.307015 0 0 0
+105 17 0.641915 0.778488 0.32709 0 0 0
+106 6 0.624495 0.811267 0.311077 0 0 0
+107 36 0.60788 0.730438 0.322987 0 0 0
+108 18 0.581518 0.717997 0.354402 0 0 0
+109 6 0.539241 0.733032 0.351541 0 0 0
+110 22 0.58055 0.658913 0.360897 0 0 0
+111 12 0.62736 0.629989 0.365696 0 0 0
+112 4 0.663228 0.655667 0.367895 0 0 0
+113 12 0.626728 0.576372 0.370752 0 0 0
+114 4 0.663959 0.553182 0.37441 0 0 0
+115 9 0.530724 0.632901 0.361369 0 0 0
+116 32 0.488559 0.659219 0.357203 0 0 0
+117 26 0.529219 0.578332 0.366566 0 0 0
+118 11 0.575081 0.550373 0.371037 0 0 0
+119 21 0.572365 0.496437 0.375893 0 0 0
+120 2 0.606468 0.475124 0.379367 0 0 0
+121 2 0.536324 0.477765 0.376344 0 0 0
+122 18 0.604314 0.753437 0.383627 0 0 0
+123 6 0.581061 0.766782 0.360957 0 0 0
+124 35 0.582465 0.755387 0.403842 0 0 0
+125 5 0.595717 0.732937 0.421949 0 0 0
+126 17 0.638539 0.795105 0.364477 0 0 0
+127 6 0.679914 0.801747 0.374905 0 0 0
+128 33 0.608585 0.845318 0.368269 0 0 0
+129 37 0.59816 0.868917 0.405806 0 0 0
+130 34 0.594866 0.92787 0.40349 0 0 0
+131 34 0.638144 0.843291 0.429685 0 0 0
+132 33 0.537859 0.846687 0.414341 0 0 0
+133 19 0.493752 0.858967 0.392802 0 0 0
+134 7 0.503121 0.8501 0.365789 0 0 0
+135 7 0.485553 0.903145 0.395254 0 0 0
+136 17 0.442086 0.827837 0.401477 0 0 0
+137 6 0.409921 0.838415 0.382854 0 0 0
+138 36 0.450426 0.769271 0.400265 0 0 0
+139 18 0.433582 0.745267 0.431684 0 0 0
+140 6 0.393219 0.727067 0.426311 0 0 0
+141 23 0.471078 0.701315 0.442335 0 0 0
+142 12 0.524589 0.710564 0.447967 0 0 0
+143 4 0.533558 0.753575 0.45126 0 0 0
+144 10 0.449959 0.649555 0.44499 0 0 0
+145 31 0.401633 0.639841 0.441129 0 0 0
+146 24 0.486997 0.609025 0.452827 0 0 0
+147 3 0.469264 0.572133 0.454331 0 0 0
+148 9 0.541568 0.615823 0.458052 0 0 0
+149 31 0.570637 0.576042 0.464719 0 0 0
+150 13 0.560586 0.671328 0.455176 0 0 0
+151 20 0.61991 0.683899 0.45955 0 0 0
+152 8 0.635512 0.6663 0.483604 0 0 0
+153 8 0.626902 0.72844 0.460326 0 0 0
+154 8 0.643832 0.667055 0.438095 0 0 0
+155 18 0.419709 0.78952 0.459032 0 0 0
+156 6 0.402736 0.780895 0.433477 0 0 0
+157 35 0.398231 0.780274 0.47815 0 0 0
+158 5 0.419616 0.770957 0.497664 0 0 0
+159 17 0.421777 0.841569 0.437208 0 0 0
+160 6 0.447965 0.87463 0.447197 0 0 0
+161 33 0.365022 0.858137 0.435951 0 0 0
+162 37 0.340827 0.89516 0.4649 0 0 0
+163 34 0.300603 0.931845 0.448813 0 0 0
+164 34 0.385722 0.918919 0.485186 0 0 0
+165 33 0.309153 0.851914 0.487929 0 0 0
+166 19 0.265873 0.820178 0.473703 0 0 0
+167 7 0.278899 0.800948 0.449538 0 0 0
+168 7 0.230883 0.847319 0.468346 0 0 0
+169 17 0.247742 0.775022 0.497408 0 0 0
+170 6 0.207076 0.760109 0.489546 0 0 0
+171 36 0.285271 0.729258 0.49625 0 0 0
+172 18 0.302971 0.71657 0.52994 0 0 0
+173 6 0.280022 0.67971 0.537569 0 0 0
+174 22 0.360617 0.699827 0.531475 0 0 0
+175 15 0.434686 0.651136 0.53741 0 0 0
+176 29 0.452259 0.704349 0.535579 0 0 0
+177 14 0.406692 0.730709 0.532328 0 0 0
+178 4 0.40474 0.774899 0.531516 0 0 0
+179 27 0.432225 0.555786 0.54238 0 0 0
+180 14 0.378432 0.559031 0.539325 0 0 0
+181 4 0.356392 0.520668 0.539864 0 0 0
+182 27 0.348151 0.602852 0.535708 0 0 0
+183 15 0.378688 0.647981 0.534779 0 0 0
+184 11 0.462143 0.601784 0.54149 0 0 0
+185 21 0.516207 0.598357 0.545293 0 0 0
+186 2 0.531658 0.56097 0.547425 0 0 0
+187 2 0.537964 0.632606 0.544449 0 0 0
+188 18 0.284641 0.760739 0.556671 0 0 0
+189 6 0.26435 0.734991 0.53731 0 0 0
+190 35 0.286314 0.754418 0.579113 0 0 0
+191 5 0.318354 0.765665 0.591067 0 0 0
+192 17 0.24522 0.794513 0.534413 0 0 0
+193 6 0.251465 0.839177 0.534831 0 0 0
+194 33 0.192729 0.780907 0.549279 0 0 0
+195 37 0.172374 0.811447 0.582219 0 0 0
+196 34 0.115965 0.829789 0.575256 0 0 0
+197 34 0.21336 0.851812 0.593382 0 0 0
+198 33 0.169969 0.763111 0.609715 0 0 0
+199 19 0.1588 0.708192 0.599362 0 0 0
+200 7 0.175848 0.697503 0.574133 0 0 0
+201 7 0.11414 0.702375 0.597836 0 0 0
+202 17 0.183642 0.666171 0.623364 0 0 0
+203 6 0.165349 0.62575 0.618291 0 0 0
+204 36 0.241746 0.661064 0.617531 0 0 0
+205 18 0.271004 0.670889 0.6484 0 0 0
+206 6 0.2864 0.630793 0.657008 0 0 0
+207 23 0.319295 0.70551 0.643037 0 0 0
+208 15 0.372609 0.689586 0.643572 0 0 0
+209 21 0.470121 0.589025 0.653738 0 0 0
+210 2 0.510525 0.585111 0.653363 0 0 0
+211 2 0.448715 0.555433 0.658642 0 0 0
+212 28 0.391195 0.639121 0.649485 0 0 0
+213 11 0.444932 0.635874 0.648542 0 0 0
+214 25 0.478193 0.679881 0.642398 0 0 0
+215 3 0.518852 0.674653 0.64185 0 0 0
+216 9 0.460372 0.732541 0.63616 0 0 0
+217 31 0.493586 0.769017 0.63088 0 0 0
+218 16 0.402872 0.736237 0.637104 0 0 0
+219 29 0.369365 0.780674 0.632524 0 0 0
+220 14 0.321312 0.760272 0.636943 0 0 0
+221 4 0.284113 0.78384 0.634223 0 0 0
+222 18 0.232323 0.688862 0.677655 0 0 0
+223 6 0.234219 0.651458 0.661946 0 0 0
+224 35 0.245746 0.686209 0.700615 0 0 0
+225 5 0.259833 0.719229 0.710098 0 0 0
+226 17 0.176283 0.680284 0.661233 0 0 0
+227 6 0.148151 0.715353 0.663493 0 0 0
+228 33 0.154873 0.633794 0.679781 0 0 0
+229 37 0.146284 0.638781 0.720049 0 0 0
+230 34 0.0982489 0.606202 0.729032 0 0 0
+231 34 0.148168 0.697204 0.730144 0 0 0
+232 33 0.19924 0.608385 0.734697 0 0 0
+233 19 0.202128 0.551281 0.736538 0 0 0
+234 7 0.187182 0.53295 0.712534 0 0 0
+235 7 0.175737 0.537383 0.757684 0 0 0
+236 17 0.259704 0.52996 0.741805 0 0 0
+237 6 0.263626 0.489089 0.730137 0 0 0
+238 36 0.298602 0.565907 0.727381 0 0 0
+239 18 0.339595 0.581319 0.750517 0 0 0
+240 6 0.375899 0.556365 0.744465 0 0 0
+241 23 0.35487 0.639083 0.74677 0 0 0
+242 12 0.318429 0.680181 0.75216 0 0 0
+243 4 0.276967 0.66813 0.758217 0 0 0
+244 10 0.408028 0.650258 0.737791 0 0 0
+245 31 0.441556 0.614349 0.732882 0 0 0
+246 24 0.421098 0.704547 0.734715 0 0 0
+247 3 0.459816 0.713409 0.728352 0 0 0
+248 9 0.386557 0.747811 0.739635 0 0 0
+249 31 0.402894 0.79485 0.736145 0 0 0
+250 13 0.331445 0.732831 0.748862 0 0 0
+251 20 0.289963 0.776489 0.755195 0 0 0
+252 8 0.24817 0.759862 0.7531 0 0 0
+253 8 0.294066 0.809702 0.736296 0 0 0
+254 8 0.295272 0.794058 0.780945 0 0 0
+255 18 0.32369 0.562234 0.787165 0 0 0
+256 6 0.329514 0.54108 0.762535 0 0 0
+257 35 0.342757 0.56574 0.803774 0 0 0
+258 5 0.348804 0.598595 0.816319 0 0 0
+259 17 0.274707 0.525436 0.77956 0 0 0
+260 6 0.237887 0.533862 0.794967 0 0 0
+261 33 0.295928 0.471434 0.787092 0 0 0
+262 37 0.307593 0.4552 0.825486 0 0 0
+263 34 0.312294 0.395019 0.826964 0 0 0
+264 34 0.267089 0.482379 0.847696 0 0 0
+265 33 0.366735 0.477213 0.833877 0 0 0
+266 19 0.414252 0.457194 0.818068 0 0 0
+267 7 0.405565 0.419747 0.803322 0 0 0
+268 7 0.442055 0.446021 0.839138 0 0 0
+269 17 0.44409 0.494964 0.793461 0 0 0
+270 6 0.426262 0.490722 0.767703 0 0 0
+271 36 0.444433 0.551551 0.803416 0 0 0
+272 18 0.489939 0.576293 0.808003 0 0 0
+273 6 0.495427 0.602851 0.785478 0 0 0
+274 23 0.491568 0.609991 0.838909 0 0 0
+275 12 0.47857 0.589141 0.869961 0 0 0
+276 4 0.4654 0.546896 0.870149 0 0 0
+277 10 0.50713 0.66375 0.835257 0 0 0
+278 31 0.519011 0.683228 0.807689 0 0 0
+279 24 0.509007 0.693666 0.864862 0 0 0
+280 3 0.519472 0.733113 0.862387 0 0 0
+281 9 0.49645 0.675405 0.896942 0 0 0
+282 31 0.499658 0.70583 0.921648 0 0 0
+283 13 0.480405 0.618558 0.89854 0 0 0
+284 20 0.465925 0.593528 0.932104 0 0 0
+285 8 0.431785 0.615989 0.944033 0 0 0
+286 8 0.50116 0.595012 0.949678 0 0 0
+287 8 0.45329 0.550553 0.928805 0 0 0
+288 18 0.53668 0.533554 0.804469 0 0 0
+289 6 0.505769 0.548742 0.786266 0 0 0
+290 35 0.573386 0.545422 0.799592 0 0 0
+291 5 0.594584 0.552157 0.819595 0 0 0
+292 17 0.504494 0.483398 0.792396 0 0 0
+293 6 0.511965 0.445862 0.807313 0 0 0
+294 33 0.522692 0.47753 0.757497 0 0 0
+295 37 0.558911 0.429374 0.746787 0 0 0
+296 34 0.594387 0.412269 0.775651 0 0 0
+297 34 0.584298 0.440924 0.713567 0 0 0
+298 33 0.512636 0.384715 0.74205 0 0 0
+299 19 0.525458 0.32859 0.746586 0 0 0
+300 7 0.510857 0.316433 0.772152 0 0 0
+301 7 0.569819 0.320594 0.745594 0 0 0
+302 17 0.497356 0.291851 0.720958 0 0 0
+303 6 0.48771 0.251951 0.732638 0 0 0
+304 36 0.447801 0.31617 0.708404 0 0 0
+305 18 0.457319 0.336384 0.674841 0 0 0
+306 6 0.428984 0.313781 0.658064 0 0 0
+307 22 0.439956 0.393366 0.672438 0 0 0
+308 15 0.389801 0.467292 0.673533 0 0 0
+309 29 0.442963 0.484526 0.675676 0 0 0
+310 14 0.470064 0.439396 0.675222 0 0 0
+311 4 0.513889 0.437527 0.678869 0 0 0
+312 27 0.29421 0.464693 0.670768 0 0 0
+313 14 0.297936 0.411122 0.669132 0 0 0
+314 4 0.259553 0.389311 0.667234 0 0 0
+315 27 0.342234 0.380438 0.669508 0 0 0
+316 15 0.387321 0.411255 0.671683 0 0 0
+317 11 0.340226 0.494822 0.672928 0 0 0
+318 21 0.337499 0.547962 0.672109 0 0 0
+319 2 0.368757 0.573596 0.674445 0 0 0
+320 2 0.301448 0.566208 0.674576 0 0 0
+321 18 0.515053 0.320046 0.661261 0 0 0
+322 6 0.478922 0.296374 0.669375 0 0 0
+323 35 0.521294 0.319703 0.636988 0 0 0
+324 5 0.540211 0.350289 0.627601 0 0 0
+325 17 0.534485 0.282889 0.69026 0 0 0
+326 6 0.577574 0.289187 0.697604 0 0 0
+327 33 0.527561 0.228481 0.676816 0 0 0
+328 37 0.559927 0.211839 0.642721 0 0 0
+329 34 0.575953 0.154694 0.646268 0 0 0
+330 34 0.602276 0.253618 0.635497 0 0 0
+331 33 0.512405 0.216361 0.615049 0 0 0
+332 19 0.463938 0.185555 0.619401 0 0 0
+333 7 0.450916 0.184493 0.646382 0 0 0
+334 7 0.471618 0.143231 0.610923 0 0 0
+335 17 0.415641 0.208198 0.599805 0 0 0
+336 6 0.377319 0.192166 0.610787 0 0 0
+337 36 0.413425 0.267186 0.601222 0 0 0
+338 18 0.408362 0.288641 0.567498 0 0 0
+339 6 0.364674 0.298691 0.564387 0 0 0
+340 23 0.44037 0.338927 0.562961 0 0 0
+341 12 0.495461 0.339573 0.567236 0 0 0
+342 4 0.51425 0.301035 0.574081 0 0 0
+343 10 0.412272 0.385695 0.554437 0 0 0
+344 31 0.363042 0.38618 0.550571 0 0 0
+345 24 0.443421 0.431896 0.550857 0 0 0
+346 3 0.424316 0.466567 0.544177 0 0 0
+347 9 0.498735 0.435731 0.555008 0 0 0
+348 31 0.522498 0.479548 0.551484 0 0 0
+349 13 0.525302 0.384812 0.56372 0 0 0
+350 20 0.585646 0.383419 0.569153 0 0 0
+351 8 0.605644 0.419638 0.557928 0 0 0
+352 8 0.603494 0.346611 0.557278 0 0 0
+353 8 0.595243 0.382434 0.596691 0 0 0
+354 18 0.417579 0.243693 0.540174 0 0 0
+355 6 0.387415 0.246776 0.561044 0 0 0
+356 35 0.407607 0.252137 0.517714 0 0 0
+357 5 0.435921 0.263025 0.502421 0 0 0
+358 17 0.417742 0.192108 0.562292 0 0 0
+359 6 0.45281 0.164554 0.558083 0 0 0
+360 33 0.367883 0.165033 0.552701 0 0 0
+361 37 0.359562 0.146717 0.513687 0 0 0
+362 34 0.323297 0.0999125 0.513497 0 0 0
+363 34 0.413782 0.143812 0.497072 0 0 0
+364 33 0.32566 0.197298 0.498397 0 0 0
+365 19 0.284516 0.223087 0.518244 0 0 0
+366 7 0.30061 0.24293 0.541475 0 0 0
+367 7 0.255358 0.191088 0.526155 0 0 0
+368 17 0.254252 0.266261 0.498233 0 0 0
+369 6 0.212726 0.271636 0.50871 0 0 0
+370 36 0.281947 0.318361 0.500266 0 0 0
+371 18 0.296321 0.336577 0.466853 0 0 0
+372 6 0.268425 0.370625 0.4607 0 0 0
+373 22 0.352028 0.358768 0.465824 0 0 0
+374 15 0.421961 0.414133 0.463626 0 0 0
+375 29 0.443853 0.362702 0.468377 0 0 0
+376 14 0.400293 0.332467 0.469389 0 0 0
+377 4 0.401627 0.28824 0.46979 0 0 0
+378 27 0.412205 0.508228 0.455803 0 0 0
+379 14 0.358444 0.500586 0.454605 0 0 0
+380 4 0.333812 0.536857 0.45086 0 0 0
+381 27 0.331929 0.453879 0.457517 0 0 0
+382 15 0.365742 0.412074 0.461974 0 0 0
+383 11 0.445475 0.465689 0.460322 0 0 0
+384 21 0.499221 0.474464 0.461632 0 0 0
+385 2 0.524442 0.443254 0.465483 0 0 0
+386 2 0.513659 0.512243 0.459426 0 0 0
+387 18 0.283131 0.292614 0.439687 0 0 0
+388 6 0.256438 0.31621 0.456975 0 0 0
+389 35 0.281481 0.304207 0.416502 0 0 0
+390 5 0.313709 0.297218 0.403519 0 0 0
+391 17 0.250558 0.251377 0.460582 0 0 0
+392 6 0.262677 0.208313 0.456995 0 0 0
+393 33 0.195369 0.258109 0.448292 0 0 0
+394 37 0.182667 0.247377 0.408808 0 0 0
+395 34 0.126775 0.227359 0.406165 0 0 0
+396 34 0.227913 0.214793 0.393689 0 0 0
+397 33 0.184157 0.308017 0.393077 0 0 0
+398 19 0.155277 0.351189 0.408992 0 0 0
+399 7 0.169178 0.357986 0.435471 0 0 0
+400 7 0.111516 0.340298 0.409537 0 0 0
+401 17 0.161553 0.405115 0.390303 0 0 0
+402 6 0.131238 0.434892 0.399754 0 0 0
+403 36 0.215357 0.428014 0.395674 0 0 0
+404 18 0.242792 0.434267 0.363717 0 0 0
+405 6 0.244723 0.478605 0.358687 0 0 0
+406 23 0.299808 0.415815 0.365817 0 0 0
+407 15 0.345007 0.448012 0.366084 0 0 0
+408 21 0.404586 0.575339 0.360982 0 0 0
+409 2 0.44121 0.592802 0.361832 0 0 0
+410 2 0.373086 0.600426 0.357759 0 0 0
+411 28 0.345993 0.502172 0.363075 0 0 0
+412 11 0.39586 0.522688 0.364337 0 0 0
+413 25 0.441654 0.490585 0.368272 0 0 0
+414 3 0.47719 0.510947 0.369499 0 0 0
+415 9 0.441955 0.434732 0.371371 0 0 0
+416 31 0.485516 0.410069 0.374783 0 0 0
+417 16 0.388852 0.412748 0.37 0 0 0
+418 29 0.371652 0.359365 0.371956 0 0 0
+419 14 0.319189 0.36445 0.369072 0 0 0
+420 4 0.291736 0.330368 0.364973 0 0 0
+421 18 0.208622 0.410544 0.333787 0 0 0
+422 6 0.202157 0.442964 0.352964 0 0 0
+423 35 0.218192 0.420789 0.311294 0 0 0
+424 5 0.241658 0.395279 0.300157 0 0 0
+425 17 0.154643 0.398098 0.351898 0 0 0
+426 6 0.137137 0.35728 0.346984 0 0 0
+427 33 0.118756 0.439475 0.338345 0 0 0
+428 37 0.108402 0.442378 0.298138 0 0 0
+429 34 0.0514523 0.454655 0.292444 0 0 0
+430 34 0.132251 0.392341 0.281522 0 0 0
+431 33 0.145177 0.493957 0.2875 0 0 0
+432 19 0.139272 0.544222 0.305569 0 0 0
+433 7 0.147149 0.538869 0.333123 0 0 0
+434 7 0.0970349 0.559308 0.302583 0 0 0
+435 17 0.178138 0.588207 0.293084 0 0 0
+436 6 0.166213 0.628029 0.304023 0 0 0
+437 36 0.233867 0.576902 0.303439 0 0 0
+438 18 0.268705 0.575952 0.274338 0 0 0
+439 6 0.292206 0.614442 0.274826 0 0 0
+440 23 0.308542 0.531068 0.276109 0 0 0
+441 15 0.363722 0.535799 0.277787 0 0 0
+442 21 0.479688 0.615431 0.279368 0 0 0
+443 2 0.520063 0.611793 0.280734 0 0 0
+444 2 0.465409 0.65341 0.278517 0 0 0
+445 28 0.392088 0.582089 0.277507 0 0 0
+446 11 0.445443 0.574318 0.279472 0 0 0
+447 25 0.46849 0.523019 0.281158 0 0 0
+448 3 0.509403 0.521646 0.282625 0 0 0
+449 9 0.440272 0.474574 0.281342 0 0 0
+450 31 0.464893 0.430773 0.282933 0 0 0
+451 16 0.383449 0.482798 0.279363 0 0 0
+452 29 0.341508 0.445438 0.278568 0 0 0
+453 14 0.299093 0.476843 0.276831 0 0 0
+454 4 0.257653 0.463567 0.271806 0 0 0
+455 18 0.235353 0.579608 0.240736 0 0 0
+456 6 0.238973 0.606937 0.263047 0 0 0
+457 35 0.254864 0.587343 0.220682 0 0 0
+458 5 0.264258 0.555101 0.208322 0 0 0
+459 17 0.178204 0.592231 0.254237 0 0 0
+460 6 0.144773 0.566409 0.244356 0 0 0
+461 33 0.16967 0.647896 0.243487 0 0 0
+462 37 0.170541 0.662464 0.203875 0 0 0
+463 34 0.136752 0.710406 0.19843 0 0 0
+464 34 0.159326 0.611668 0.183838 0 0 0
+465 33 0.232779 0.680941 0.197565 0 0 0
+466 19 0.256848 0.722123 0.217632 0 0 0
+467 7 0.25952 0.710796 0.244867 0 0 0
+468 7 0.23094 0.758917 0.215716 0 0 0
+469 17 0.313892 0.73692 0.205743 0 0 0
+470 6 0.326115 0.776434 0.216986 0 0 0
+471 36 0.353433 0.696152 0.216255 0 0 0
+472 18 0.381726 0.67557 0.18723 0 0 0
+473 6 0.423089 0.693511 0.187997 0 0 0
+474 22 0.38865 0.616132 0.18888 0 0 0
+475 15 0.423149 0.534376 0.192828 0 0 0
+476 29 0.367629 0.526456 0.18876 0 0 0
+477 14 0.350443 0.576665 0.186858 0 0 0
+478 4 0.309049 0.587766 0.179967 0 0 0
+479 27 0.516553 0.518695 0.199566 0 0 0
+480 14 0.523652 0.572851 0.199353 0 0 0
+481 4 0.565144 0.587475 0.20233 0 0 0
+482 27 0.485801 0.610469 0.195822 0 0 0
+483 15 0.436356 0.589121 0.192895 0 0 0
+484 11 0.466393 0.498143 0.196475 0 0 0
+485 21 0.460029 0.443906 0.196596 0 0 0
+486 2 0.493287 0.421417 0.200363 0 0 0
+487 2 0.422462 0.428553 0.195914 0 0 0
+488 18 0.356717 0.697467 0.153542 0 0 0
+489 6 0.375542 0.717476 0.1759 0 0 0
+490 35 0.377231 0.692437 0.133602 0 0 0
+491 5 0.3659 0.66195 0.120181 0 0 0
+492 17 0.317031 0.740457 0.166919 0 0 0
+493 6 0.275133 0.738571 0.156548 0 0 0
+494 33 0.342389 0.790867 0.156423 0 0 0
+495 37 0.352647 0.801556 0.116698 0 0 0
+496 34 0.350994 0.860042 0.110796 0 0 0
+497 34 0.316197 0.76473 0.096611 0 0 0
+498 33 0.415125 0.782317 0.111791 0 0 0
+499 19 0.456566 0.803492 0.13281 0 0 0
+500 7 0.449836 0.794143 0.160065 0 0 0
+501 7 0.456597 0.848338 0.129802 0 0 0
+502 17 0.51288 0.782476 0.12353 0 0 0
+503 6 0.544073 0.806898 0.137006 0 0 0
+504 36 0.519922 0.725824 0.133579 0 0 0
+505 18 0.537884 0.694492 0.105237 0 0 0
+506 6 0.582225 0.689036 0.109113 0 0 0
+507 23 0.511339 0.640471 0.1042 0 0 0
+508 12 0.456732 0.635293 0.0997716 0 0 0
+509 4 0.43643 0.673776 0.0947308 0 0 0
+510 10 0.544187 0.59543 0.107947 0 0 0
+511 31 0.593361 0.598693 0.111697 0 0 0
+512 24 0.517813 0.54563 0.10639 0 0 0
+513 3 0.543683 0.514456 0.110354 0 0 0
+514 9 0.463084 0.537877 0.102009 0 0 0
+515 31 0.443992 0.491159 0.100851 0 0 0
+516 13 0.431386 0.587097 0.0986217 0 0 0
+517 20 0.371082 0.583805 0.0934063 0 0 0
+518 8 0.350113 0.620749 0.102881 0 0 0
+519 8 0.353668 0.548463 0.107129 0 0 0
+520 8 0.361178 0.580401 0.0659868 0 0 0
+521 18 0.536163 0.728378 0.0713116 0 0 0
+522 6 0.557253 0.734971 0.095887 0 0 0
+523 35 0.556779 0.71662 0.0516867 0 0 0
+524 5 0.535239 0.695284 0.0363802 0 0 0
+525 17 0.522918 0.785334 0.085289 0 0 0
+526 6 0.488544 0.806901 0.072983 0 0 0
+527 33 0.57303 0.815214 0.0781446 0 0 0
+528 30 0.0500655 0.0500517 0.0313036 0 0 0
+529 1 0.080333 0.0743592 0.0301995 0 0 0
+530 1 0.0189057 0.0732714 0.0312648 0 0 0
+531 30 0.149956 0.149978 0.0313586 0 0 0
+532 1 0.180951 0.173388 0.0306401 0 0 0
+533 1 0.119495 0.174087 0.0307384 0 0 0
+534 38 0.150115 0.0498951 0.0936976 0 0 0
+535 30 0.0501788 0.150036 0.0937635 0 0 0
+536 1 0.079918 0.17503 0.0931468 0 0 0
+537 1 0.018529 0.172573 0.0941844 0 0 0
+538 30 0.0500193 0.0500234 0.156038 0 0 0
+539 1 0.0796688 0.0748774 0.158316 0 0 0
+540 1 0.0182737 0.0723007 0.157574 0 0 0
+541 38 0.150012 0.150311 0.156393 0 0 0
+542 30 0.149949 0.0500437 0.218517 0 0 0
+543 1 0.180974 0.0730625 0.221148 0 0 0
+544 1 0.119518 0.0738126 0.221246 0 0 0
+545 30 0.0501368 0.150086 0.218525 0 0 0
+546 1 0.0799177 0.174748 0.220945 0 0 0
+547 1 0.0185159 0.172555 0.219974 0 0 0
+548 30 0.0500743 0.0500238 0.281121 0 0 0
+549 1 0.0803511 0.0742932 0.282432 0 0 0
+550 1 0.0189019 0.0731605 0.282215 0 0 0
+551 30 0.149992 0.150022 0.281078 0 0 0
+552 1 0.180713 0.173686 0.282655 0 0 0
+553 1 0.119253 0.173695 0.282452 0 0 0
+554 30 0.149925 0.0499784 0.343578 0 0 0
+555 1 0.18092 0.073318 0.34493 0 0 0
+556 1 0.119464 0.0740391 0.344718 0 0 0
+557 30 0.0500009 0.150005 0.343646 0 0 0
+558 1 0.0806448 0.1738 0.345024 0 0 0
+559 1 0.0191945 0.173667 0.344324 0 0 0
+560 30 0.0499451 0.0500063 0.406191 0 0 0
+561 1 0.0808459 0.0735474 0.406831 0 0 0
+562 1 0.0193888 0.0740083 0.406541 0 0 0
+563 30 0.149833 0.0500256 0.468697 0 0 0
+564 1 0.181425 0.07263 0.469342 0 0 0
+565 1 0.120008 0.0749262 0.46916 0 0 0
+566 30 0.049949 0.15001 0.46878 0 0 0
+567 1 0.080961 0.173407 0.468178 0 0 0
+568 1 0.0195077 0.174161 0.468539 0 0 0
+569 30 0.0498913 0.0500234 0.531321 0 0 0
+570 1 0.0813747 0.0727828 0.53073 0 0 0
+571 1 0.0199463 0.0747652 0.530628 0 0 0
+572 30 0.149847 0.150014 0.531314 0 0 0
+573 1 0.181193 0.172956 0.530648 0 0 0
+574 1 0.119754 0.174586 0.530776 0 0 0
+575 30 0.149895 0.0500548 0.593903 0 0 0
+576 1 0.181223 0.0729191 0.592392 0 0 0
+577 1 0.119785 0.0745383 0.592642 0 0 0
+578 30 0.0499378 0.150011 0.593858 0 0 0
+579 1 0.0810721 0.173214 0.592899 0 0 0
+580 1 0.0196207 0.174275 0.592927 0 0 0
+581 30 0.0499099 0.0500179 0.656396 0 0 0
+582 1 0.0812164 0.0729428 0.655079 0 0 0
+583 1 0.0197757 0.0744836 0.655235 0 0 0
+584 30 0.149969 0.150019 0.656389 0 0 0
+585 1 0.180957 0.173383 0.655146 0 0 0
+586 1 0.1195 0.174066 0.655221 0 0 0
+587 30 0.149932 0.0500192 0.718902 0 0 0
+588 1 0.18107 0.0731885 0.717706 0 0 0
+589 1 0.119619 0.0742407 0.717567 0 0 0
+590 30 0.0499632 0.15 0.718873 0 0 0
+591 1 0.0809578 0.173379 0.717815 0 0 0
+592 1 0.0195011 0.174068 0.717809 0 0 0
+593 30 0.0499527 0.0499486 0.781428 0 0 0
+594 1 0.0810267 0.0731911 0.780134 0 0 0
+595 1 0.0195727 0.0740891 0.780119 0 0 0
+596 30 0.149951 0.149999 0.781341 0 0 0
+597 1 0.180989 0.173353 0.780613 0 0 0
+598 1 0.119534 0.174149 0.780531 0 0 0
+599 30 0.149855 0.0499906 0.843807 0 0 0
+600 1 0.181436 0.0726203 0.843322 0 0 0
+601 1 0.120017 0.0748726 0.84329 0 0 0
+602 30 0.0499636 0.149982 0.843815 0 0 0
+603 1 0.081065 0.173265 0.843285 0 0 0
+604 1 0.0196123 0.174226 0.843153 0 0 0
+605 30 0.0499594 0.0499438 0.906195 0 0 0
+606 1 0.0810427 0.0732639 0.906386 0 0 0
+607 1 0.019589 0.0741845 0.906418 0 0 0
+608 30 0.149942 0.149999 0.906272 0 0 0
+609 1 0.181071 0.173258 0.906061 0 0 0
+610 1 0.119619 0.174299 0.906084 0 0 0
+611 30 0.149918 0.0500181 0.968781 0 0 0
+612 1 0.181198 0.0730694 0.968438 0 0 0
+613 1 0.119755 0.0745147 0.968526 0 0 0
+614 30 0.049977 0.150005 0.968744 0 0 0
+615 1 0.0809762 0.173439 0.968702 0 0 0
+616 1 0.0195213 0.174138 0.968993 0 0 0
+617 30 0.0499898 0.249998 0.0312107 0 0 0
+618 1 0.0806864 0.273823 0.0314692 0 0 0
+619 1 0.0192296 0.27372 0.031891 0 0 0
+620 30 0.150015 0.349998 0.0312616 0 0 0
+621 1 0.180544 0.374036 0.0309689 0 0 0
+622 1 0.119088 0.373527 0.0313064 0 0 0
+623 30 0.149985 0.249928 0.0937812 0 0 0
+624 1 0.180593 0.27387 0.0936106 0 0 0
+625 1 0.119134 0.273556 0.0938439 0 0 0
+626 30 0.0501017 0.349994 0.0936645 0 0 0
+627 1 0.0800716 0.374713 0.0942558 0 0 0
+628 1 0.0186457 0.372755 0.0946664 0 0 0
+629 30 0.0501155 0.24996 0.156098 0 0 0
+630 1 0.0799831 0.274747 0.157291 0 0 0
+631 1 0.0185699 0.272486 0.157818 0 0 0
+632 30 0.14997 0.349916 0.156154 0 0 0
+633 1 0.179865 0.374709 0.156958 0 0 0
+634 1 0.118441 0.37259 0.157013 0 0 0
+635 30 0.150002 0.24997 0.218549 0 0 0
+636 1 0.180422 0.274007 0.220192 0 0 0
+637 1 0.118966 0.273228 0.220076 0 0 0
+638 30 0.050159 0.349996 0.218582 0 0 0
+639 1 0.0798599 0.374812 0.220759 0 0 0
+640 1 0.0184648 0.372391 0.219835 0 0 0
+641 30 0.0500295 0.25002 0.281178 0 0 0
+642 1 0.0802756 0.274381 0.282009 0 0 0
+643 1 0.0188365 0.273194 0.281318 0 0 0
+644 30 0.0498913 0.350013 0.468815 0 0 0
+645 1 0.0811013 0.373157 0.468426 0 0 0
+646 1 0.0196535 0.374412 0.468395 0 0 0
+647 30 0.0499544 0.249998 0.53135 0 0 0
+648 1 0.0808742 0.273475 0.530284 0 0 0
+649 1 0.0194164 0.273988 0.530458 0 0 0
+650 30 0.149981 0.250022 0.593845 0 0 0
+651 1 0.180989 0.273394 0.592886 0 0 0
+652 1 0.119533 0.274134 0.593039 0 0 0
+653 30 0.0499864 0.350007 0.593879 0 0 0
+654 1 0.0809001 0.37346 0.592567 0 0 0
+655 1 0.019442 0.373959 0.592725 0 0 0
+656 30 0.0499709 0.250006 0.656368 0 0 0
+657 1 0.0809185 0.273444 0.655291 0 0 0
+658 1 0.0194606 0.274012 0.655301 0 0 0
+659 30 0.14996 0.350011 0.656397 0 0 0
+660 1 0.180742 0.373628 0.655023 0 0 0
+661 1 0.119281 0.373765 0.65505 0 0 0
+662 30 0.149957 0.249988 0.718855 0 0 0
+663 1 0.180837 0.273534 0.717949 0 0 0
+664 1 0.119378 0.273923 0.717952 0 0 0
+665 30 0.0499535 0.349993 0.718852 0 0 0
+666 1 0.0809325 0.373417 0.718034 0 0 0
+667 1 0.0194759 0.374048 0.717844 0 0 0
+668 30 0.0499709 0.249999 0.781335 0 0 0
+669 1 0.0809971 0.273373 0.780682 0 0 0
+670 1 0.0195416 0.274135 0.780551 0 0 0
+671 30 0.149983 0.349996 0.781263 0 0 0
+672 1 0.180937 0.373488 0.781348 0 0 0
+673 1 0.119479 0.374071 0.781244 0 0 0
+674 30 0.149951 0.250003 0.843796 0 0 0
+675 1 0.180861 0.273544 0.843385 0 0 0
+676 1 0.119403 0.274013 0.843403 0 0 0
+677 30 0.049956 0.350006 0.843773 0 0 0
+678 1 0.0811885 0.373126 0.843595 0 0 0
+679 1 0.0197422 0.374443 0.843684 0 0 0
+680 30 0.0499405 0.250014 0.906258 0 0 0
+681 1 0.0811807 0.273125 0.906154 0 0 0
+682 1 0.019735 0.274462 0.90627 0 0 0
+683 30 0.149974 0.350002 0.906292 0 0 0
+684 1 0.180756 0.373697 0.905634 0 0 0
+685 1 0.119298 0.373852 0.905978 0 0 0
+686 30 0.149971 0.250003 0.968764 0 0 0
+687 1 0.180874 0.273561 0.968614 0 0 0
+688 1 0.119415 0.274013 0.968734 0 0 0
+689 30 0.0499819 0.349996 0.968715 0 0 0
+690 1 0.0808232 0.373636 0.968859 0 0 0
+691 1 0.0193652 0.373916 0.969168 0 0 0
+692 30 0.0500432 0.449987 0.0312029 0 0 0
+693 1 0.0805333 0.474077 0.0314357 0 0 0
+694 1 0.0190772 0.473452 0.0316952 0 0 0
+695 30 0.150036 0.549994 0.0312334 0 0 0
+696 1 0.180792 0.573742 0.031504 0 0 0
+697 1 0.119331 0.573808 0.031531 0 0 0
+698 30 0.150131 0.450043 0.0938059 0 0 0
+699 1 0.179762 0.475137 0.0928299 0 0 0
+700 1 0.11838 0.472447 0.0938187 0 0 0
+701 30 0.05015 0.549941 0.0936269 0 0 0
+702 1 0.0808814 0.573652 0.0947872 0 0 0
+703 1 0.0194208 0.573649 0.0948358 0 0 0
+704 30 0.0501549 0.45003 0.156088 0 0 0
+705 1 0.0796441 0.475216 0.157639 0 0 0
+706 1 0.0182641 0.472075 0.157756 0 0 0
+707 30 0.149965 0.550029 0.406299 0 0 0
+708 1 0.18097 0.573448 0.405945 0 0 0
+709 1 0.119514 0.574155 0.405759 0 0 0
+710 30 0.0498835 0.550007 0.468909 0 0 0
+711 1 0.0813496 0.572706 0.467543 0 0 0
+712 1 0.0199197 0.574647 0.467487 0 0 0
+713 30 0.0499097 0.450013 0.531379 0 0 0
+714 1 0.0811876 0.472975 0.530047 0 0 0
+715 1 0.019745 0.47444 0.530204 0 0 0
+716 30 0.149965 0.550012 0.531438 0 0 0
+717 1 0.180952 0.573333 0.529907 0 0 0
+718 1 0.119496 0.573977 0.529738 0 0 0
+719 30 0.149949 0.449991 0.593925 0 0 0
+720 1 0.180971 0.4733 0.592612 0 0 0
+721 1 0.119516 0.474035 0.592422 0 0 0
+722 30 0.0499501 0.549987 0.593872 0 0 0
+723 1 0.0810325 0.573261 0.592919 0 0 0
+724 1 0.019579 0.574164 0.592759 0 0 0
+725 30 0.0499669 0.450003 0.656375 0 0 0
+726 1 0.0808979 0.473478 0.655428 0 0 0
+727 1 0.01944 0.473981 0.655242 0 0 0
+728 30 0.0499237 0.450011 0.781278 0 0 0
+729 1 0.081192 0.47308 0.780995 0 0 0
+730 1 0.0197477 0.474492 0.781022 0 0 0
+731 30 0.149893 0.449984 0.84374 0 0 0
+732 1 0.181661 0.472359 0.844049 0 0 0
+733 1 0.120263 0.475124 0.843914 0 0 0
+734 30 0.049942 0.549981 0.84376 0 0 0
+735 1 0.0812277 0.573028 0.84355 0 0 0
+736 1 0.0197852 0.574489 0.843732 0 0 0
+737 30 0.0499624 0.449992 0.906248 0 0 0
+738 1 0.0810853 0.47326 0.906118 0 0 0
+739 1 0.0196347 0.474288 0.906371 0 0 0
+740 30 0.149891 0.549994 0.906315 0 0 0
+741 1 0.181339 0.572787 0.905532 0 0 0
+742 1 0.119912 0.57471 0.905903 0 0 0
+743 30 0.150017 0.45 0.96879 0 0 0
+744 1 0.180702 0.473825 0.968205 0 0 0
+745 1 0.119244 0.473726 0.96853 0 0 0
+746 30 0.0499823 0.549985 0.968751 0 0 0
+747 1 0.0809468 0.573465 0.968692 0 0 0
+748 1 0.0194893 0.574074 0.968752 0 0 0
+749 30 0.0498957 0.650018 0.0312363 0 0 0
+750 1 0.0814688 0.672654 0.0318218 0 0 0
+751 1 0.0200591 0.674915 0.0311548 0 0 0
+752 30 0.149933 0.749984 0.031115 0 0 0
+753 1 0.181467 0.772591 0.0324577 0 0 0
+754 1 0.120043 0.774722 0.0324689 0 0 0
+755 30 0.149897 0.650005 0.0935549 0 0 0
+756 1 0.181264 0.672801 0.0951551 0 0 0
+757 1 0.119826 0.674442 0.0953951 0 0 0
+758 30 0.0499023 0.749983 0.0934904 0 0 0
+759 1 0.0813341 0.772543 0.0957591 0 0 0
+760 1 0.0199015 0.774396 0.0958313 0 0 0
+761 30 0.0499392 0.749996 0.343839 0 0 0
+762 1 0.0809089 0.773449 0.343231 0 0 0
+763 1 0.019452 0.774059 0.343053 0 0 0
+764 30 0.0499747 0.650004 0.406397 0 0 0
+765 1 0.080909 0.673443 0.405188 0 0 0
+766 1 0.0194512 0.673952 0.405013 0 0 0
+767 30 0.149955 0.75 0.406352 0 0 0
+768 1 0.180959 0.773405 0.405725 0 0 0
+769 1 0.119503 0.774104 0.405508 0 0 0
+770 30 0.14989 0.650015 0.468874 0 0 0
+771 1 0.181258 0.672915 0.468036 0 0 0
+772 1 0.119821 0.674562 0.467716 0 0 0
+773 30 0.0499381 0.750006 0.468855 0 0 0
+774 1 0.0811155 0.773183 0.468271 0 0 0
+775 1 0.0196693 0.774322 0.467842 0 0 0
+776 30 0.0499412 0.65002 0.531403 0 0 0
+777 1 0.0811885 0.673047 0.530242 0 0 0
+778 1 0.019744 0.674366 0.529937 0 0 0
+779 30 0.149874 0.649981 0.843826 0 0 0
+780 1 0.181482 0.672568 0.84323 0 0 0
+781 1 0.120065 0.674889 0.843178 0 0 0
+782 30 0.0499418 0.749957 0.843746 0 0 0
+783 1 0.0811717 0.773075 0.844118 0 0 0
+784 1 0.0197251 0.774381 0.844205 0 0 0
+785 30 0.0499524 0.649967 0.906267 0 0 0
+786 1 0.0811369 0.673153 0.906121 0 0 0
+787 1 0.0196878 0.674341 0.906102 0 0 0
+788 30 0.149918 0.749987 0.906239 0 0 0
+789 1 0.181501 0.772626 0.906392 0 0 0
+790 1 0.120082 0.774883 0.906474 0 0 0
+791 30 0.149959 0.649983 0.968742 0 0 0
+792 1 0.181232 0.673048 0.968873 0 0 0
+793 1 0.119788 0.674472 0.968933 0 0 0
+794 30 0.0500222 0.749923 0.96869 0 0 0
+795 1 0.0815127 0.772669 0.969333 0 0 0
+796 1 0.020085 0.774678 0.969325 0 0 0
+797 30 0.0498331 0.850035 0.0310324 0 0 0
+798 1 0.0816469 0.872238 0.0324252 0 0 0
+799 1 0.0202642 0.874982 0.0333201 0 0 0
+800 30 0.149888 0.950016 0.0312967 0 0 0
+801 1 0.181401 0.972705 0.0303694 0 0 0
+802 1 0.119975 0.974777 0.0303678 0 0 0
+803 30 0.149856 0.849954 0.0935493 0 0 0
+804 1 0.181618 0.872197 0.0951478 0 0 0
+805 1 0.120219 0.874935 0.0952795 0 0 0
+806 30 0.0498633 0.949933 0.0936145 0 0 0
+807 1 0.0806171 0.97364 0.0945631 0 0 0
+808 1 0.0191573 0.97368 0.0947546 0 0 0
+809 30 0.049872 0.850005 0.156029 0 0 0
+810 1 0.0812242 0.872807 0.157704 0 0 0
+811 1 0.0197854 0.87442 0.157881 0 0 0
+812 30 0.149862 0.950042 0.15604 0 0 0
+813 1 0.181434 0.972433 0.158202 0 0 0
+814 1 0.120013 0.974638 0.158391 0 0 0
+815 30 0.150004 0.850039 0.218811 0 0 0
+816 1 0.180957 0.87348 0.217823 0 0 0
+817 1 0.1195 0.874081 0.218022 0 0 0
+818 30 0.050073 0.950067 0.218698 0 0 0
+819 1 0.0801877 0.974624 0.218922 0 0 0
+820 1 0.0187582 0.973029 0.219629 0 0 0
+821 30 0.049842 0.849943 0.281247 0 0 0
+822 1 0.0805559 0.873747 0.281451 0 0 0
+823 1 0.0190953 0.873705 0.281455 0 0 0
+824 38 0.150091 0.949955 0.281329 0 0 0
+825 30 0.14998 0.850029 0.34362 0 0 0
+826 1 0.181027 0.873193 0.34556 0 0 0
+827 1 0.119574 0.874069 0.345345 0 0 0
+828 30 0.050072 0.950058 0.34361 0 0 0
+829 1 0.0802901 0.974308 0.345472 0 0 0
+830 1 0.018864 0.973179 0.344397 0 0 0
+831 30 0.0499636 0.850013 0.406263 0 0 0
+832 1 0.0811411 0.873202 0.406621 0 0 0
+833 1 0.0196974 0.874385 0.406107 0 0 0
+834 30 0.149865 0.949997 0.406085 0 0 0
+835 1 0.181544 0.972348 0.40774 0 0 0
+836 1 0.120141 0.974943 0.407381 0 0 0
+837 30 0.0498386 0.949999 0.468724 0 0 0
+838 1 0.0815799 0.972413 0.469002 0 0 0
+839 1 0.0201801 0.975108 0.468713 0 0 0
+840 30 0.149936 0.950011 0.531281 0 0 0
+841 1 0.181149 0.973144 0.530732 0 0 0
+842 1 0.119702 0.974416 0.530897 0 0 0
+843 30 0.0497472 0.950062 0.593918 0 0 0
+844 1 0.0819961 0.971625 0.592506 0 0 0
+845 1 0.0206748 0.975759 0.592587 0 0 0
+846 30 0.0498047 0.850028 0.656463 0 0 0
+847 1 0.0818452 0.871731 0.654256 0 0 0
+848 1 0.0205001 0.875405 0.654773 0 0 0
+849 30 0.149883 0.950059 0.656498 0 0 0
+850 1 0.181189 0.972837 0.654404 0 0 0
+851 1 0.119748 0.974376 0.654464 0 0 0
+852 30 0.149874 0.850116 0.719006 0 0 0
+853 1 0.181641 0.872316 0.717227 0 0 0
+854 1 0.120259 0.874843 0.716103 0 0 0
+855 30 0.0499045 0.95001 0.719014 0 0 0
+856 1 0.0812737 0.972701 0.716925 0 0 0
+857 1 0.0198382 0.974437 0.717093 0 0 0
+858 38 0.0502375 0.849854 0.780994 0 0 0
+859 30 0.149695 0.950086 0.781471 0 0 0
+860 1 0.18217 0.971307 0.780055 0 0 0
+861 1 0.1209 0.975908 0.779117 0 0 0
+862 30 0.149904 0.849982 0.843774 0 0 0
+863 1 0.182217 0.87155 0.843216 0 0 0
+864 1 0.120921 0.875866 0.843999 0 0 0
+865 38 0.0501231 0.95032 0.843739 0 0 0
+866 30 0.049855 0.850072 0.906156 0 0 0
+867 1 0.0815889 0.872363 0.907709 0 0 0
+868 1 0.0202034 0.875156 0.906963 0 0 0
+869 30 0.149793 0.950055 0.906155 0 0 0
+870 1 0.181902 0.971935 0.906521 0 0 0
+871 1 0.120565 0.97559 0.907368 0 0 0
+872 30 0.149869 0.850011 0.968662 0 0 0
+873 1 0.181672 0.872313 0.969374 0 0 0
+874 1 0.120278 0.875165 0.96949 0 0 0
+875 30 0.0498924 0.950004 0.968663 0 0 0
+876 1 0.0812551 0.972933 0.969196 0 0 0
+877 1 0.0198174 0.974587 0.969374 0 0 0
+878 30 0.249808 0.0500708 0.0313181 0 0 0
+879 1 0.281787 0.0721462 0.0311063 0 0 0
+880 1 0.220437 0.0754389 0.0300908 0 0 0
+881 30 0.349948 0.150021 0.03124 0 0 0
+882 1 0.381001 0.173382 0.0313404 0 0 0
+883 1 0.319547 0.174226 0.0311889 0 0 0
+884 30 0.349907 0.0500575 0.0936459 0 0 0
+885 1 0.381412 0.0727669 0.0944961 0 0 0
+886 1 0.319986 0.07483 0.0943167 0 0 0
+887 30 0.24977 0.15005 0.093801 0 0 0
+888 1 0.281807 0.172044 0.0937307 0 0 0
+889 1 0.220459 0.175524 0.0929062 0 0 0
+890 30 0.24981 0.0500424 0.156075 0 0 0
+891 1 0.28237 0.0711742 0.157224 0 0 0
+892 1 0.22112 0.0760457 0.15813 0 0 0
+893 30 0.349907 0.150045 0.156162 0 0 0
+894 1 0.381292 0.172927 0.156911 0 0 0
+895 1 0.319856 0.174649 0.156971 0 0 0
+896 30 0.349919 0.0500285 0.218682 0 0 0
+897 1 0.381294 0.0729289 0.219392 0 0 0
+898 1 0.319857 0.0746143 0.219544 0 0 0
+899 30 0.249825 0.150076 0.21853 0 0 0
+900 1 0.28157 0.172359 0.220035 0 0 0
+901 1 0.22018 0.174898 0.220962 0 0 0
+902 30 0.249853 0.0500221 0.281133 0 0 0
+903 1 0.281453 0.0725877 0.282091 0 0 0
+904 1 0.220035 0.074879 0.282238 0 0 0
+905 30 0.349928 0.150027 0.281131 0 0 0
+906 1 0.381034 0.173267 0.282096 0 0 0
+907 1 0.319582 0.174229 0.282299 0 0 0
+908 30 0.349887 0.0500191 0.34357 0 0 0
+909 1 0.381442 0.0725794 0.345028 0 0 0
+910 1 0.32002 0.0747459 0.345177 0 0 0
+911 30 0.249854 0.0500744 0.406067 0 0 0
+912 1 0.281547 0.0724246 0.407618 0 0 0
+913 1 0.220142 0.0750237 0.407436 0 0 0
+914 30 0.349942 0.150023 0.4061 0 0 0
+915 1 0.38072 0.17364 0.407503 0 0 0
+916 1 0.319265 0.173833 0.407009 0 0 0
+917 30 0.350062 0.0500341 0.59409 0 0 0
+918 1 0.380269 0.0740461 0.591223 0 0 0
+919 1 0.318824 0.0726649 0.591149 0 0 0
+920 30 0.249979 0.150021 0.593931 0 0 0
+921 1 0.280833 0.173488 0.592234 0 0 0
+922 1 0.219381 0.173909 0.592809 0 0 0
+923 30 0.250017 0.0500154 0.65644 0 0 0
+924 1 0.280466 0.0740234 0.654835 0 0 0
+925 1 0.21901 0.0732977 0.65484 0 0 0
+926 30 0.349988 0.049984 0.718744 0 0 0
+927 1 0.380776 0.0736944 0.718658 0 0 0
+928 1 0.319315 0.073842 0.718553 0 0 0
+929 30 0.249989 0.150001 0.718864 0 0 0
+930 1 0.280603 0.173871 0.717764 0 0 0
+931 1 0.219143 0.173574 0.717795 0 0 0
+932 30 0.249932 0.050022 0.781326 0 0 0
+933 1 0.281081 0.0732393 0.780784 0 0 0
+934 1 0.219631 0.0743222 0.780565 0 0 0
+935 30 0.34997 0.150009 0.781278 0 0 0
+936 1 0.380629 0.173882 0.781039 0 0 0
+937 1 0.319169 0.1737 0.781051 0 0 0
+938 30 0.349961 0.0500136 0.843788 0 0 0
+939 1 0.380928 0.0734865 0.843515 0 0 0
+940 1 0.31947 0.0740992 0.843455 0 0 0
+941 30 0.249958 0.150005 0.843791 0 0 0
+942 1 0.280936 0.173461 0.843471 0 0 0
+943 1 0.219479 0.174102 0.843394 0 0 0
+944 30 0.249915 0.0500113 0.906264 0 0 0
+945 1 0.281207 0.0730513 0.906127 0 0 0
+946 1 0.219764 0.0745261 0.906115 0 0 0
+947 30 0.349978 0.150012 0.906263 0 0 0
+948 1 0.380825 0.173646 0.906181 0 0 0
+949 1 0.319365 0.173946 0.906119 0 0 0
+950 30 0.34995 0.0500206 0.968727 0 0 0
+951 1 0.381003 0.0733824 0.968906 0 0 0
+952 1 0.319548 0.0742234 0.968792 0 0 0
+953 30 0.24994 0.150012 0.968776 0 0 0
+954 1 0.281036 0.173315 0.968594 0 0 0
+955 1 0.219583 0.174268 0.968512 0 0 0
+956 30 0.249954 0.249999 0.0312816 0 0 0
+957 1 0.280872 0.273536 0.0310071 0 0 0
+958 1 0.219413 0.274023 0.030992 0 0 0
+959 30 0.349982 0.350008 0.0312965 0 0 0
+960 1 0.38061 0.373921 0.0310194 0 0 0
+961 1 0.319152 0.373644 0.0306888 0 0 0
+962 30 0.34994 0.249986 0.0937303 0 0 0
+963 1 0.380863 0.273518 0.0939189 0 0 0
+964 1 0.319405 0.274021 0.0937749 0 0 0
+965 30 0.249978 0.350004 0.0938593 0 0 0
+966 1 0.280561 0.373885 0.0925318 0 0 0
+967 1 0.219102 0.373505 0.0925431 0 0 0
+968 30 0.2499 0.249957 0.156156 0 0 0
+969 1 0.281032 0.273179 0.156962 0 0 0
+970 1 0.219581 0.274224 0.157024 0 0 0
+971 30 0.350069 0.349959 0.156163 0 0 0
+972 1 0.381031 0.373424 0.156735 0 0 0
+973 1 0.319575 0.374003 0.157076 0 0 0
+974 30 0.34995 0.250014 0.218638 0 0 0
+975 1 0.38081 0.273582 0.219591 0 0 0
+976 1 0.319351 0.273901 0.219755 0 0 0
+977 30 0.250019 0.350066 0.218439 0 0 0
+978 1 0.280519 0.373564 0.221729 0 0 0
+979 1 0.219063 0.372875 0.22195 0 0 0
+980 30 0.249972 0.250016 0.281058 0 0 0
+981 1 0.280693 0.273677 0.282653 0 0 0
+982 1 0.219232 0.273641 0.282716 0 0 0
+983 30 0.249869 0.350008 0.593979 0 0 0
+984 1 0.281242 0.372693 0.591881 0 0 0
+985 1 0.219805 0.374396 0.591867 0 0 0
+986 30 0.249953 0.250022 0.656417 0 0 0
+987 1 0.280951 0.273326 0.654863 0 0 0
+988 1 0.219494 0.274026 0.654868 0 0 0
+989 30 0.249994 0.250027 0.781317 0 0 0
+990 1 0.280699 0.273825 0.780721 0 0 0
+991 1 0.219238 0.273763 0.780765 0 0 0
+992 30 0.35 0.250035 0.843781 0 0 0
+993 1 0.380676 0.273882 0.843378 0 0 0
+994 1 0.319215 0.273742 0.843398 0 0 0
+995 30 0.249977 0.250015 0.906259 0 0 0
+996 1 0.28084 0.273628 0.906167 0 0 0
+997 1 0.21938 0.273972 0.906233 0 0 0
+998 30 0.350009 0.349991 0.906348 0 0 0
+999 1 0.380575 0.373939 0.905406 0 0 0
+1000 1 0.319117 0.373492 0.905177 0 0 0
+1001 30 0.349985 0.250008 0.968767 0 0 0
+1002 1 0.380774 0.273716 0.968611 0 0 0
+1003 1 0.319313 0.273867 0.968565 0 0 0
+1004 30 0.249993 0.350016 0.968765 0 0 0
+1005 1 0.280696 0.373835 0.968606 0 0 0
+1006 1 0.219236 0.373767 0.968689 0 0 0
+1007 30 0.250007 0.450018 0.0313329 0 0 0
+1008 1 0.280496 0.47409 0.0306922 0 0 0
+1009 1 0.219039 0.473464 0.030608 0 0 0
+1010 38 0.249979 0.450345 0.156366 0 0 0
+1011 30 0.249918 0.450047 0.531419 0 0 0
+1012 1 0.280772 0.473558 0.529968 0 0 0
+1013 1 0.219312 0.473866 0.529885 0 0 0
+1014 30 0.350005 0.450008 0.968818 0 0 0
+1015 1 0.38041 0.474193 0.968318 0 0 0
+1016 1 0.318957 0.473344 0.968024 0 0 0
+1017 30 0.250016 0.549979 0.968838 0 0 0
+1018 1 0.280562 0.573976 0.968174 0 0 0
+1019 1 0.219104 0.57351 0.968272 0 0 0
+1020 30 0.249952 0.649991 0.0311893 0 0 0
+1021 1 0.280931 0.673429 0.0318322 0 0 0
+1022 1 0.219474 0.674082 0.0317699 0 0 0
+1023 30 0.249985 0.750003 0.34381 0 0 0
+1024 1 0.280836 0.773623 0.343416 0 0 0
+1025 1 0.219376 0.773928 0.343239 0 0 0
+1026 30 0.24994 0.649994 0.40632 0 0 0
+1027 1 0.280929 0.673431 0.405882 0 0 0
+1028 1 0.219475 0.674078 0.405447 0 0 0
+1029 30 0.249898 0.750009 0.843793 0 0 0
+1030 1 0.281501 0.772617 0.843545 0 0 0
+1031 1 0.220085 0.774925 0.843375 0 0 0
+1032 30 0.249942 0.650009 0.906323 0 0 0
+1033 1 0.28117 0.673123 0.905828 0 0 0
+1034 1 0.219723 0.67443 0.905885 0 0 0
+1035 30 0.349944 0.74998 0.906247 0 0 0
+1036 1 0.381173 0.773106 0.906393 0 0 0
+1037 1 0.319726 0.774413 0.9063 0 0 0
+1038 30 0.249893 0.749991 0.968692 0 0 0
+1039 1 0.281458 0.772632 0.969371 0 0 0
+1040 1 0.220037 0.774842 0.969343 0 0 0
+1041 30 0.249845 0.849984 0.0310658 0 0 0
+1042 1 0.281689 0.872086 0.0327863 0 0 0
+1043 1 0.220307 0.875143 0.0324105 0 0 0
+1044 30 0.349875 0.950023 0.0310893 0 0 0
+1045 1 0.381389 0.972672 0.0323319 0 0 0
+1046 1 0.319965 0.974776 0.0321373 0 0 0
+1047 30 0.249867 0.949951 0.0936094 0 0 0
+1048 1 0.28215 0.971497 0.0948052 0 0 0
+1049 1 0.220836 0.975733 0.0946174 0 0 0
+1050 30 0.249789 0.950054 0.218783 0 0 0
+1051 1 0.281921 0.971909 0.218865 0 0 0
+1052 1 0.22058 0.97568 0.218478 0 0 0
+1053 30 0.250081 0.849939 0.281226 0 0 0
+1054 1 0.281313 0.873055 0.281574 0 0 0
+1055 1 0.219866 0.87437 0.281553 0 0 0
+1056 30 0.349933 0.950005 0.281157 0 0 0
+1057 1 0.38132 0.97286 0.282159 0 0 0
+1058 1 0.319884 0.974598 0.282109 0 0 0
+1059 30 0.249786 0.950061 0.343495 0 0 0
+1060 1 0.281898 0.971712 0.345485 0 0 0
+1061 1 0.220552 0.975314 0.346128 0 0 0
+1062 38 0.350001 0.949885 0.65613 0 0 0
+1063 30 0.249962 0.950043 0.718799 0 0 0
+1064 1 0.280805 0.973681 0.718936 0 0 0
+1065 1 0.21937 0.973956 0.717836 0 0 0
+1066 30 0.349948 0.950035 0.78131 0 0 0
+1067 1 0.381019 0.973363 0.780891 0 0 0
+1068 1 0.319565 0.974248 0.780786 0 0 0
+1069 30 0.349884 0.850004 0.843823 0 0 0
+1070 1 0.38131 0.872833 0.843107 0 0 0
+1071 1 0.319877 0.874667 0.843066 0 0 0
+1072 30 0.249871 0.950016 0.843833 0 0 0
+1073 1 0.281571 0.972469 0.843197 0 0 0
+1074 1 0.220165 0.975046 0.843169 0 0 0
+1075 30 0.249895 0.850001 0.906229 0 0 0
+1076 1 0.28154 0.872554 0.906371 0 0 0
+1077 1 0.220127 0.874977 0.906492 0 0 0
+1078 30 0.349938 0.950007 0.906246 0 0 0
+1079 1 0.381102 0.973222 0.906266 0 0 0
+1080 1 0.319651 0.974354 0.906243 0 0 0
+1081 30 0.349893 0.849993 0.968638 0 0 0
+1082 1 0.381289 0.872835 0.969657 0 0 0
+1083 1 0.319853 0.874595 0.969604 0 0 0
+1084 30 0.249889 0.95001 0.968706 0 0 0
+1085 1 0.281433 0.972699 0.969062 0 0 0
+1086 1 0.22001 0.974855 0.968903 0 0 0
+1087 30 0.450034 0.0500495 0.0311722 0 0 0
+1088 1 0.480464 0.0741979 0.0317794 0 0 0
+1089 1 0.419009 0.0734314 0.031733 0 0 0
+1090 30 0.550122 0.150017 0.0312193 0 0 0
+1091 1 0.580261 0.174541 0.0315194 0 0 0
+1092 1 0.51882 0.173044 0.0313378 0 0 0
+1093 30 0.550156 0.0500829 0.0935308 0 0 0
+1094 1 0.579716 0.0749527 0.0961693 0 0 0
+1095 1 0.518343 0.0722796 0.0949734 0 0 0
+1096 30 0.44999 0.150012 0.0936788 0 0 0
+1097 1 0.480679 0.173829 0.0942976 0 0 0
+1098 1 0.419219 0.173731 0.0941864 0 0 0
+1099 30 0.450067 0.0500447 0.156158 0 0 0
+1100 1 0.480648 0.0739796 0.157052 0 0 0
+1101 1 0.419188 0.0736023 0.156957 0 0 0
+1102 30 0.549927 0.150023 0.156164 0 0 0
+1103 1 0.58085 0.17354 0.156733 0 0 0
+1104 1 0.519392 0.174036 0.156808 0 0 0
+1105 30 0.550042 0.0499973 0.218648 0 0 0
+1106 1 0.580594 0.0739793 0.219423 0 0 0
+1107 1 0.519135 0.0735133 0.2195 0 0 0
+1108 30 0.449961 0.15001 0.218651 0 0 0
+1109 1 0.48072 0.173718 0.219519 0 0 0
+1110 1 0.419259 0.173789 0.219563 0 0 0
+1111 30 0.449968 0.0500056 0.281097 0 0 0
+1112 1 0.48093 0.0733919 0.282434 0 0 0
+1113 1 0.419472 0.074004 0.282372 0 0 0
+1114 30 0.549984 0.150023 0.281101 0 0 0
+1115 1 0.58058 0.173882 0.282462 0 0 0
+1116 1 0.51912 0.173531 0.28249 0 0 0
+1117 30 0.549997 0.0500391 0.343593 0 0 0
+1118 1 0.580666 0.0738214 0.344826 0 0 0
+1119 1 0.519206 0.0736564 0.344877 0 0 0
+1120 30 0.450001 0.150025 0.343623 0 0 0
+1121 1 0.480827 0.173624 0.344699 0 0 0
+1122 1 0.419367 0.173859 0.3448 0 0 0
+1123 30 0.449971 0.0500154 0.406195 0 0 0
+1124 1 0.48083 0.0736277 0.406536 0 0 0
+1125 1 0.419374 0.0739397 0.406967 0 0 0
+1126 30 0.550024 0.150028 0.406194 0 0 0
+1127 1 0.580521 0.1741 0.40667 0 0 0
+1128 1 0.519065 0.173483 0.406953 0 0 0
+1129 30 0.550052 0.0500442 0.468922 0 0 0
+1130 1 0.580349 0.0742693 0.467478 0 0 0
+1131 1 0.5189 0.0732118 0.467851 0 0 0
+1132 30 0.55005 0.0500248 0.593857 0 0 0
+1133 1 0.580455 0.0742087 0.593314 0 0 0
+1134 1 0.519007 0.0733357 0.592768 0 0 0
+1135 30 0.449986 0.0500145 0.656339 0 0 0
+1136 1 0.480905 0.0735302 0.65567 0 0 0
+1137 1 0.419446 0.0740105 0.655546 0 0 0
+1138 30 0.550038 0.0500208 0.718819 0 0 0
+1139 1 0.580558 0.0740454 0.718065 0 0 0
+1140 1 0.5191 0.0735147 0.718205 0 0 0
+1141 30 0.449984 0.15002 0.718891 0 0 0
+1142 1 0.480831 0.173427 0.716853 0 0 0
+1143 1 0.419382 0.173869 0.717518 0 0 0
+1144 30 0.450004 0.0500144 0.781292 0 0 0
+1145 1 0.480699 0.0738366 0.780873 0 0 0
+1146 1 0.419238 0.0737467 0.780936 0 0 0
+1147 30 0.550042 0.150001 0.781293 0 0 0
+1148 1 0.580725 0.173841 0.780935 0 0 0
+1149 1 0.519264 0.173719 0.780969 0 0 0
+1150 30 0.550044 0.0500113 0.843791 0 0 0
+1151 1 0.580465 0.0741825 0.843396 0 0 0
+1152 1 0.519009 0.0733933 0.843478 0 0 0
+1153 30 0.450006 0.150015 0.843745 0 0 0
+1154 1 0.480665 0.173891 0.843867 0 0 0
+1155 1 0.419205 0.173708 0.843868 0 0 0
+1156 30 0.45001 0.0500166 0.906259 0 0 0
+1157 1 0.480646 0.0739224 0.906126 0 0 0
+1158 1 0.419185 0.07368 0.906188 0 0 0
+1159 30 0.550044 0.150012 0.906272 0 0 0
+1160 1 0.580465 0.17419 0.906078 0 0 0
+1161 1 0.519009 0.173398 0.906171 0 0 0
+1162 30 0.550148 0.0500694 0.968812 0 0 0
+1163 1 0.579803 0.0751277 0.967774 0 0 0
+1164 1 0.518414 0.072496 0.968629 0 0 0
+1165 30 0.450022 0.150017 0.968745 0 0 0
+1166 1 0.480614 0.17398 0.968769 0 0 0
+1167 1 0.419155 0.173624 0.96876 0 0 0
+1168 30 0.450014 0.250007 0.031259 0 0 0
+1169 1 0.480758 0.273776 0.0312423 0 0 0
+1170 1 0.419298 0.273807 0.0310103 0 0 0
+1171 30 0.549992 0.350001 0.0311759 0 0 0
+1172 1 0.581103 0.37326 0.031849 0 0 0
+1173 1 0.519652 0.374269 0.0316792 0 0 0
+1174 30 0.450003 0.250019 0.156174 0 0 0
+1175 1 0.480778 0.273723 0.156829 0 0 0
+1176 1 0.419318 0.273833 0.156902 0 0 0
+1177 30 0.45 0.250042 0.281125 0 0 0
+1178 1 0.48071 0.273807 0.28206 0 0 0
+1179 1 0.419253 0.27371 0.282458 0 0 0
+1180 30 0.550036 0.250037 0.34366 0 0 0
+1181 1 0.580613 0.273998 0.344294 0 0 0
+1182 1 0.519154 0.273589 0.344482 0 0 0
+1183 30 0.449984 0.250053 0.406168 0 0 0
+1184 1 0.480623 0.273933 0.406811 0 0 0
+1185 1 0.419168 0.273726 0.406324 0 0 0
+1186 30 0.55009 0.250046 0.468731 0 0 0
+1187 1 0.580405 0.274357 0.468918 0 0 0
+1188 1 0.518953 0.273296 0.468869 0 0 0
+1189 30 0.550026 0.250011 0.843768 0 0 0
+1190 1 0.580756 0.273793 0.843552 0 0 0
+1191 1 0.519296 0.273794 0.843516 0 0 0
+1192 30 0.450007 0.250011 0.906236 0 0 0
+1193 1 0.480651 0.273905 0.906441 0 0 0
+1194 1 0.419191 0.273684 0.906338 0 0 0
+1195 30 0.550018 0.349991 0.90625 0 0 0
+1196 1 0.58083 0.37367 0.906346 0 0 0
+1197 1 0.519371 0.373882 0.906123 0 0 0
+1198 30 0.550028 0.25 0.968733 0 0 0
+1199 1 0.580642 0.273932 0.968994 0 0 0
+1200 1 0.519182 0.273635 0.968849 0 0 0
+1201 30 0.449999 0.350013 0.96876 0 0 0
+1202 1 0.480738 0.373787 0.968768 0 0 0
+1203 1 0.419278 0.373809 0.968555 0 0 0
+1204 30 0.549977 0.450008 0.968714 0 0 0
+1205 1 0.581084 0.473289 0.969121 0 0 0
+1206 1 0.519632 0.474279 0.968982 0 0 0
+1207 30 0.549974 0.949981 0.031091 0 0 0
+1208 1 0.579887 0.97471 0.0323073 0 0 0
+1209 1 0.518461 0.972636 0.0323122 0 0 0
+1210 30 0.450044 0.950018 0.093623 0 0 0
+1211 1 0.480521 0.974054 0.0947938 0 0 0
+1212 1 0.419064 0.973395 0.0948497 0 0 0
+1213 30 0.550095 0.950013 0.156172 0 0 0
+1214 1 0.579989 0.97479 0.157166 0 0 0
+1215 1 0.518566 0.972698 0.156912 0 0 0
+1216 30 0.550071 0.84999 0.218665 0 0 0
+1217 1 0.58035 0.874303 0.219586 0 0 0
+1218 1 0.518901 0.873173 0.219313 0 0 0
+1219 30 0.45004 0.950004 0.218713 0 0 0
+1220 1 0.480705 0.973857 0.219252 0 0 0
+1221 1 0.419246 0.973703 0.219004 0 0 0
+1222 30 0.44997 0.850004 0.281219 0 0 0
+1223 1 0.481006 0.873379 0.281643 0 0 0
+1224 1 0.419551 0.874184 0.28145 0 0 0
+1225 30 0.549955 0.950012 0.281084 0 0 0
+1226 1 0.580802 0.973499 0.282728 0 0 0
+1227 1 0.519343 0.97383 0.282567 0 0 0
+1228 30 0.550164 0.949988 0.531442 0 0 0
+1229 1 0.579984 0.974727 0.529584 0 0 0
+1230 1 0.518568 0.972405 0.529542 0 0 0
+1231 30 0.449935 0.950068 0.593971 0 0 0
+1232 1 0.480957 0.973347 0.592464 0 0 0
+1233 1 0.419521 0.973915 0.591445 0 0 0
+1234 30 0.550138 0.950028 0.656368 0 0 0
+1235 1 0.580189 0.97462 0.655424 0 0 0
+1236 1 0.518753 0.972885 0.655353 0 0 0
+1237 30 0.550129 0.849979 0.718778 0 0 0
+1238 1 0.579974 0.874864 0.718524 0 0 0
+1239 1 0.518554 0.872626 0.718486 0 0 0
+1240 30 0.450005 0.950051 0.718728 0 0 0
+1241 1 0.480887 0.973637 0.718525 0 0 0
+1242 1 0.41944 0.974032 0.719287 0 0 0
+1243 30 0.550126 0.950023 0.781295 0 0 0
+1244 1 0.58016 0.974673 0.780887 0 0 0
+1245 1 0.518725 0.972905 0.78088 0 0 0
+1246 30 0.550089 0.849971 0.84379 0 0 0
+1247 1 0.580228 0.874495 0.84347 0 0 0
+1248 1 0.518786 0.872987 0.843352 0 0 0
+1249 30 0.450005 0.950007 0.843817 0 0 0
+1250 1 0.480689 0.973839 0.843315 0 0 0
+1251 1 0.419228 0.973717 0.843284 0 0 0
+1252 30 0.449941 0.84999 0.906218 0 0 0
+1253 1 0.480903 0.87347 0.906463 0 0 0
+1254 1 0.419445 0.874074 0.906407 0 0 0
+1255 30 0.550057 0.950016 0.906261 0 0 0
+1256 1 0.580334 0.974372 0.906 0 0 0
+1257 1 0.518884 0.973219 0.90616 0 0 0
+1258 30 0.5501 0.84998 0.968646 0 0 0
+1259 1 0.580158 0.874563 0.969587 0 0 0
+1260 1 0.518721 0.87285 0.969613 0 0 0
+1261 30 0.449994 0.950008 0.968656 0 0 0
+1262 1 0.480656 0.973861 0.969274 0 0 0
+1263 1 0.419196 0.973677 0.969368 0 0 0
+1264 38 0.649804 0.0500049 0.0312994 0 0 0
+1265 30 0.649981 0.150001 0.218699 0 0 0
+1266 1 0.680895 0.173533 0.219202 0 0 0
+1267 1 0.619436 0.17401 0.219214 0 0 0
+1268 30 0.650062 0.0500047 0.281093 0 0 0
+1269 1 0.680411 0.074207 0.282229 0 0 0
+1270 1 0.618959 0.0732081 0.282385 0 0 0
+1271 30 0.750053 0.149996 0.28119 0 0 0
+1272 1 0.780681 0.173912 0.281367 0 0 0
+1273 1 0.719227 0.173629 0.281924 0 0 0
+1274 30 0.750146 0.0500255 0.343698 0 0 0
+1275 1 0.780075 0.074802 0.344127 0 0 0
+1276 1 0.718649 0.0727655 0.344293 0 0 0
+1277 30 0.650041 0.150043 0.343636 0 0 0
+1278 1 0.680556 0.17405 0.344649 0 0 0
+1279 1 0.619098 0.17348 0.344781 0 0 0
+1280 30 0.65019 0.0500461 0.406277 0 0 0
+1281 1 0.679919 0.0750701 0.406091 0 0 0
+1282 1 0.61851 0.0725508 0.406189 0 0 0
+1283 30 0.750058 0.150012 0.406248 0 0 0
+1284 1 0.780495 0.174172 0.406287 0 0 0
+1285 1 0.719039 0.173419 0.40636 0 0 0
+1286 30 0.750161 0.0500094 0.468874 0 0 0
+1287 1 0.780005 0.0748544 0.467951 0 0 0
+1288 1 0.718586 0.072603 0.467865 0 0 0
+1289 30 0.65005 0.150014 0.4688 0 0 0
+1290 1 0.680389 0.174292 0.468493 0 0 0
+1291 1 0.618937 0.173294 0.468592 0 0 0
+1292 30 0.650121 0.050012 0.531454 0 0 0
+1293 1 0.680239 0.0744182 0.529763 0 0 0
+1294 1 0.618799 0.072843 0.529712 0 0 0
+1295 30 0.750033 0.149991 0.531328 0 0 0
+1296 1 0.78051 0.174081 0.53073 0 0 0
+1297 1 0.719053 0.173438 0.53084 0 0 0
+1298 30 0.750139 0.0499777 0.593855 0 0 0
+1299 1 0.780258 0.074491 0.592952 0 0 0
+1300 1 0.718817 0.0729342 0.592974 0 0 0
+1301 30 0.650054 0.0500597 0.656315 0 0 0
+1302 1 0.680441 0.0742709 0.655837 0 0 0
+1303 1 0.618989 0.0733723 0.655542 0 0 0
+1304 30 0.750046 0.149986 0.656355 0 0 0
+1305 1 0.780495 0.174079 0.655365 0 0 0
+1306 1 0.719039 0.173335 0.655187 0 0 0
+1307 30 0.75006 0.0499974 0.71881 0 0 0
+1308 1 0.780379 0.0742854 0.718192 0 0 0
+1309 1 0.718927 0.0732301 0.718162 0 0 0
+1310 30 0.650063 0.149991 0.718879 0 0 0
+1311 1 0.680562 0.174019 0.717879 0 0 0
+1312 1 0.619108 0.173374 0.717457 0 0 0
+1313 30 0.650061 0.0500048 0.781311 0 0 0
+1314 1 0.680375 0.0742993 0.780699 0 0 0
+1315 1 0.618923 0.0732374 0.780756 0 0 0
+1316 30 0.750041 0.150007 0.781354 0 0 0
+1317 1 0.780463 0.174123 0.780277 0 0 0
+1318 1 0.719008 0.173353 0.780468 0 0 0
+1319 30 0.750057 0.049997 0.843817 0 0 0
+1320 1 0.780317 0.0743508 0.843094 0 0 0
+1321 1 0.718868 0.0731566 0.843201 0 0 0
+1322 30 0.650044 0.150012 0.843808 0 0 0
+1323 1 0.680384 0.174273 0.843186 0 0 0
+1324 1 0.618932 0.173287 0.843392 0 0 0
+1325 30 0.650059 0.0500206 0.906323 0 0 0
+1326 1 0.680288 0.0744181 0.905678 0 0 0
+1327 1 0.618841 0.0731428 0.905738 0 0 0
+1328 30 0.74996 0.149942 0.906284 0 0 0
+1329 1 0.78007 0.174505 0.906092 0 0 0
+1330 1 0.71863 0.172928 0.906042 0 0 0
+1331 30 0.749962 0.0500592 0.96885 0 0 0
+1332 1 0.780867 0.0736048 0.968376 0 0 0
+1333 1 0.719425 0.073991 0.967478 0 0 0
+1334 30 0.65007 0.149973 0.968786 0 0 0
+1335 1 0.680271 0.174425 0.968974 0 0 0
+1336 1 0.618826 0.173079 0.968727 0 0 0
+1337 30 0.649964 0.249999 0.0311642 0 0 0
+1338 1 0.680957 0.273395 0.032086 0 0 0
+1339 1 0.619502 0.274099 0.0318815 0 0 0
+1340 30 0.74993 0.350038 0.0310805 0 0 0
+1341 1 0.780957 0.373311 0.0325876 0 0 0
+1342 1 0.719503 0.374127 0.0323321 0 0 0
+1343 30 0.750001 0.25001 0.343699 0 0 0
+1344 1 0.780891 0.273583 0.34399 0 0 0
+1345 1 0.719432 0.273991 0.34418 0 0 0
+1346 30 0.649961 0.35001 0.343718 0 0 0
+1347 1 0.680787 0.373672 0.343791 0 0 0
+1348 1 0.619331 0.373909 0.344248 0 0 0
+1349 30 0.650045 0.249997 0.406211 0 0 0
+1350 1 0.680735 0.273829 0.406514 0 0 0
+1351 1 0.619275 0.273723 0.406596 0 0 0
+1352 30 0.750002 0.35 0.406215 0 0 0
+1353 1 0.781062 0.373348 0.406481 0 0 0
+1354 1 0.719608 0.374204 0.406653 0 0 0
+1355 30 0.750024 0.25 0.468767 0 0 0
+1356 1 0.780698 0.273857 0.468597 0 0 0
+1357 1 0.719237 0.273712 0.468703 0 0 0
+1358 30 0.650012 0.350008 0.468738 0 0 0
+1359 1 0.68082 0.373692 0.468867 0 0 0
+1360 1 0.61936 0.373892 0.468894 0 0 0
+1361 30 0.650114 0.249976 0.531255 0 0 0
+1362 1 0.680475 0.274229 0.531079 0 0 0
+1363 1 0.619022 0.273286 0.531201 0 0 0
+1364 30 0.750013 0.349995 0.531262 0 0 0
+1365 1 0.780881 0.373601 0.531073 0 0 0
+1366 1 0.719423 0.37396 0.531348 0 0 0
+1367 30 0.750116 0.249978 0.5938 0 0 0
+1368 1 0.7803 0.274439 0.593285 0 0 0
+1369 1 0.718859 0.273065 0.593696 0 0 0
+1370 30 0.750106 0.350008 0.656363 0 0 0
+1371 1 0.780339 0.374359 0.655271 0 0 0
+1372 1 0.718893 0.37312 0.655553 0 0 0
+1373 30 0.750031 0.249996 0.718897 0 0 0
+1374 1 0.780626 0.27385 0.717501 0 0 0
+1375 1 0.719167 0.273493 0.717447 0 0 0
+1376 30 0.650018 0.250026 0.781316 0 0 0
+1377 1 0.680695 0.27386 0.780692 0 0 0
+1378 1 0.619234 0.273727 0.780796 0 0 0
+1379 30 0.749958 0.349937 0.781368 0 0 0
+1380 1 0.780011 0.374516 0.780325 0 0 0
+1381 1 0.718575 0.372781 0.780224 0 0 0
+1382 30 0.750123 0.250048 0.843885 0 0 0
+1383 1 0.779922 0.274876 0.8424 0 0 0
+1384 1 0.718514 0.27262 0.843126 0 0 0
+1385 30 0.650053 0.349987 0.843836 0 0 0
+1386 1 0.680483 0.374139 0.843285 0 0 0
+1387 1 0.61904 0.373311 0.842546 0 0 0
+1388 30 0.650065 0.250015 0.906252 0 0 0
+1389 1 0.68029 0.274438 0.90632 0 0 0
+1390 1 0.618843 0.273153 0.906254 0 0 0
+1391 30 0.750094 0.349991 0.906202 0 0 0
+1392 1 0.780288 0.374436 0.906785 0 0 0
+1393 1 0.718844 0.373082 0.906559 0 0 0
+1394 30 0.750138 0.250048 0.968559 0 0 0
+1395 1 0.779935 0.274734 0.970806 0 0 0
+1396 1 0.718533 0.272569 0.969808 0 0 0
+1397 30 0.650016 0.350003 0.968684 0 0 0
+1398 1 0.680721 0.373794 0.969397 0 0 0
+1399 1 0.619261 0.373743 0.969178 0 0 0
+1400 30 0.649988 0.449984 0.0311092 0 0 0
+1401 1 0.681043 0.47326 0.0323446 0 0 0
+1402 1 0.619588 0.474106 0.0323743 0 0 0
+1403 30 0.749999 0.549996 0.0310867 0 0 0
+1404 1 0.78068 0.573751 0.0324081 0 0 0
+1405 1 0.71922 0.573597 0.0325838 0 0 0
+1406 30 0.749966 0.449995 0.468733 0 0 0
+1407 1 0.781063 0.473299 0.468786 0 0 0
+1408 1 0.719611 0.474253 0.46901 0 0 0
+1409 30 0.750076 0.549995 0.531305 0 0 0
+1410 1 0.780533 0.574102 0.53057 0 0 0
+1411 1 0.719077 0.573411 0.530734 0 0 0
+1412 30 0.750053 0.449996 0.593794 0 0 0
+1413 1 0.780434 0.47421 0.59325 0 0 0
+1414 1 0.718981 0.473329 0.593513 0 0 0
+1415 30 0.650093 0.549983 0.593762 0 0 0
+1416 1 0.680338 0.57438 0.593536 0 0 0
+1417 1 0.61889 0.573144 0.593646 0 0 0
+1418 30 0.750128 0.549957 0.656295 0 0 0
+1419 1 0.780045 0.574751 0.655942 0 0 0
+1420 1 0.718619 0.572697 0.656061 0 0 0
+1421 30 0.750203 0.45004 0.718926 0 0 0
+1422 1 0.779352 0.475558 0.717024 0 0 0
+1423 1 0.718025 0.471765 0.71791 0 0 0
+1424 30 0.650205 0.550011 0.71877 0 0 0
+1425 1 0.679847 0.575138 0.71856 0 0 0
+1426 1 0.61845 0.572408 0.718899 0 0 0
+1427 30 0.750209 0.549973 0.781286 0 0 0
+1428 1 0.779809 0.57515 0.78116 0 0 0
+1429 1 0.718414 0.572314 0.781119 0 0 0
+1430 30 0.750153 0.450021 0.843714 0 0 0
+1431 1 0.77996 0.474916 0.844565 0 0 0
+1432 1 0.71857 0.472655 0.843387 0 0 0
+1433 30 0.650025 0.450002 0.906227 0 0 0
+1434 1 0.680794 0.473731 0.906594 0 0 0
+1435 1 0.619335 0.473838 0.906329 0 0 0
+1436 30 0.750007 0.549991 0.906227 0 0 0
+1437 1 0.780542 0.574024 0.906434 0 0 0
+1438 1 0.719084 0.573525 0.906229 0 0 0
+1439 30 0.750007 0.449998 0.968654 0 0 0
+1440 1 0.780693 0.473802 0.969508 0 0 0
+1441 1 0.719232 0.473696 0.969404 0 0 0
+1442 30 0.649975 0.550001 0.968712 0 0 0
+1443 1 0.680948 0.573466 0.968999 0 0 0
+1444 1 0.619491 0.574098 0.968947 0 0 0
+1445 30 0.750164 0.749987 0.0310984 0 0 0
+1446 1 0.779761 0.775066 0.0325153 0 0 0
+1447 1 0.718367 0.772199 0.0325898 0 0 0
+1448 30 0.750117 0.650018 0.0935466 0 0 0
+1449 1 0.780032 0.674658 0.0953237 0 0 0
+1450 1 0.718606 0.6726 0.0952193 0 0 0
+1451 30 0.750134 0.750009 0.156058 0 0 0
+1452 1 0.779923 0.774792 0.157882 0 0 0
+1453 1 0.71851 0.772482 0.157449 0 0 0
+1454 30 0.650013 0.749999 0.218687 0 0 0
+1455 1 0.680526 0.774038 0.219358 0 0 0
+1456 1 0.619069 0.773493 0.21915 0 0 0
+1457 30 0.75018 0.750098 0.531587 0 0 0
+1458 1 0.779528 0.774996 0.528224 0 0 0
+1459 1 0.718166 0.771733 0.529 0 0 0
+1460 30 0.749946 0.649991 0.593981 0 0 0
+1461 1 0.780044 0.674208 0.591351 0 0 0
+1462 1 0.718604 0.672614 0.591481 0 0 0
+1463 30 0.650246 0.750063 0.593969 0 0 0
+1464 1 0.67912 0.775789 0.591583 0 0 0
+1465 1 0.617837 0.771389 0.592573 0 0 0
+1466 30 0.650022 0.649974 0.656254 0 0 0
+1467 1 0.679929 0.674786 0.656226 0 0 0
+1468 1 0.618504 0.672705 0.656234 0 0 0
+1469 38 0.74968 0.750205 0.656307 0 0 0
+1470 30 0.750063 0.650033 0.718591 0 0 0
+1471 1 0.780219 0.674347 0.720522 0 0 0
+1472 1 0.718776 0.672871 0.720535 0 0 0
+1473 30 0.650213 0.75006 0.718606 0 0 0
+1474 1 0.679346 0.77565 0.720207 0 0 0
+1475 1 0.618023 0.771803 0.719286 0 0 0
+1476 30 0.750135 0.750015 0.781188 0 0 0
+1477 1 0.779894 0.774994 0.78163 0 0 0
+1478 1 0.718482 0.772546 0.781667 0 0 0
+1479 30 0.750103 0.649991 0.843762 0 0 0
+1480 1 0.780083 0.674715 0.843665 0 0 0
+1481 1 0.718653 0.672813 0.843532 0 0 0
+1482 30 0.650091 0.750006 0.843798 0 0 0
+1483 1 0.680162 0.774616 0.843543 0 0 0
+1484 1 0.618725 0.772935 0.84336 0 0 0
+1485 30 0.650061 0.649977 0.906266 0 0 0
+1486 1 0.680454 0.674192 0.906228 0 0 0
+1487 1 0.619 0.673329 0.906309 0 0 0
+1488 30 0.750073 0.749985 0.906242 0 0 0
+1489 1 0.77999 0.774786 0.906225 0 0 0
+1490 1 0.718564 0.772728 0.906346 0 0 0
+1491 30 0.750016 0.649984 0.968678 0 0 0
+1492 1 0.780312 0.6743 0.969308 0 0 0
+1493 1 0.718862 0.67318 0.969436 0 0 0
+1494 30 0.650106 0.749972 0.968652 0 0 0
+1495 1 0.679956 0.774831 0.969308 0 0 0
+1496 1 0.618537 0.772597 0.96943 0 0 0
+1497 30 0.750246 0.949942 0.0311727 0 0 0
+1498 1 0.780273 0.974594 0.0317105 0 0 0
+1499 1 0.718838 0.972808 0.0317201 0 0 0
+1500 30 0.75017 0.849979 0.0935897 0 0 0
+1501 1 0.779715 0.875109 0.0950732 0 0 0
+1502 1 0.718326 0.872159 0.0948631 0 0 0
+1503 30 0.650161 0.950076 0.0935368 0 0 0
+1504 1 0.679695 0.975008 0.0960528 0 0 0
+1505 1 0.618308 0.972039 0.0957989 0 0 0
+1506 30 0.650119 0.849984 0.156188 0 0 0
+1507 1 0.680029 0.874754 0.157067 0 0 0
+1508 1 0.618607 0.872712 0.156624 0 0 0
+1509 30 0.750069 0.950031 0.15609 0 0 0
+1510 1 0.780223 0.974441 0.157479 0 0 0
+1511 1 0.71878 0.972966 0.157512 0 0 0
+1512 30 0.749988 0.850005 0.218573 0 0 0
+1513 1 0.78053 0.873866 0.220331 0 0 0
+1514 1 0.719072 0.873414 0.220144 0 0 0
+1515 30 0.650033 0.950012 0.218563 0 0 0
+1516 1 0.68024 0.974301 0.220293 0 0 0
+1517 1 0.618794 0.972985 0.220154 0 0 0
+1518 30 0.750032 0.950047 0.281073 0 0 0
+1519 1 0.780405 0.974156 0.282645 0 0 0
+1520 1 0.718953 0.973204 0.282836 0 0 0
+1521 30 0.750201 0.949994 0.40637 0 0 0
+1522 1 0.779488 0.97549 0.405414 0 0 0
+1523 1 0.718132 0.971902 0.405548 0 0 0
+1524 30 0.75028 0.850028 0.468946 0 0 0
+1525 1 0.779098 0.876027 0.467759 0 0 0
+1526 1 0.717862 0.871123 0.466594 0 0 0
+1527 30 0.650149 0.850017 0.531462 0 0 0
+1528 1 0.679692 0.875085 0.529592 0 0 0
+1529 1 0.618303 0.872143 0.529881 0 0 0
+1530 30 0.750186 0.950057 0.531511 0 0 0
+1531 1 0.779605 0.975106 0.528918 0 0 0
+1532 1 0.718233 0.971939 0.52951 0 0 0
+1533 30 0.750062 0.849882 0.593941 0 0 0
+1534 1 0.779471 0.875176 0.592486 0 0 0
+1535 1 0.7181 0.871867 0.592513 0 0 0
+1536 30 0.650215 0.950013 0.593877 0 0 0
+1537 1 0.67956 0.975427 0.592777 0 0 0
+1538 1 0.618197 0.971963 0.592769 0 0 0
+1539 30 0.650243 0.849992 0.656303 0 0 0
+1540 1 0.679298 0.875789 0.655897 0 0 0
+1541 1 0.61798 0.871625 0.655611 0 0 0
+1542 30 0.750174 0.950016 0.656219 0 0 0
+1543 1 0.779678 0.975286 0.656852 0 0 0
+1544 1 0.718307 0.972253 0.656026 0 0 0
+1545 30 0.750092 0.849956 0.71866 0 0 0
+1546 1 0.780078 0.87466 0.719187 0 0 0
+1547 1 0.718646 0.872777 0.71907 0 0 0
+1548 30 0.650112 0.949999 0.718788 0 0 0
+1549 1 0.680081 0.97473 0.718443 0 0 0
+1550 1 0.618651 0.972799 0.718332 0 0 0
+1551 30 0.650162 0.850015 0.781251 0 0 0
+1552 1 0.679796 0.875154 0.781227 0 0 0
+1553 1 0.618397 0.872398 0.781111 0 0 0
+1554 30 0.750081 0.950001 0.781283 0 0 0
+1555 1 0.780196 0.974551 0.78088 0 0 0
+1556 1 0.718755 0.97299 0.780932 0 0 0
+1557 30 0.750096 0.85 0.843769 0 0 0
+1558 1 0.78001 0.874801 0.843527 0 0 0
+1559 1 0.718584 0.872739 0.84359 0 0 0
+1560 30 0.650084 0.950005 0.843787 0 0 0
+1561 1 0.680187 0.974572 0.843409 0 0 0
+1562 1 0.618747 0.972978 0.843417 0 0 0
+1563 30 0.650149 0.849995 0.906238 0 0 0
+1564 1 0.679883 0.875014 0.906246 0 0 0
+1565 1 0.618474 0.872507 0.906324 0 0 0
+1566 30 0.750091 0.950002 0.906279 0 0 0
+1567 1 0.780142 0.974636 0.905995 0 0 0
+1568 1 0.718706 0.972908 0.9059 0 0 0
+1569 30 0.750122 0.84999 0.968682 0 0 0
+1570 1 0.779835 0.875018 0.969241 0 0 0
+1571 1 0.718428 0.872457 0.969269 0 0 0
+1572 30 0.650096 0.950012 0.968806 0 0 0
+1573 1 0.680093 0.974652 0.967693 0 0 0
+1574 1 0.618661 0.972805 0.967836 0 0 0
+1575 30 0.850016 0.0500137 0.0311888 0 0 0
+1576 1 0.880937 0.0735383 0.0316686 0 0 0
+1577 1 0.819479 0.0740304 0.0317264 0 0 0
+1578 30 0.950014 0.15002 0.0311967 0 0 0
+1579 1 0.980829 0.173691 0.0314904 0 0 0
+1580 1 0.919372 0.173893 0.031885 0 0 0
+1581 30 0.950047 0.0500175 0.0936284 0 0 0
+1582 1 0.980484 0.0741323 0.0945456 0 0 0
+1583 1 0.919031 0.0733418 0.094891 0 0 0
+1584 30 0.950107 0.150086 0.156085 0 0 0
+1585 1 0.980186 0.174564 0.157637 0 0 0
+1586 1 0.918748 0.172902 0.15763 0 0 0
+1587 30 0.950053 0.0500312 0.218615 0 0 0
+1588 1 0.98046 0.0741436 0.219881 0 0 0
+1589 1 0.919006 0.0733392 0.219676 0 0 0
+1590 30 0.850042 0.0500389 0.281132 0 0 0
+1591 1 0.880472 0.0741489 0.282182 0 0 0
+1592 1 0.819016 0.0733812 0.282146 0 0 0
+1593 30 0.950044 0.150026 0.281162 0 0 0
+1594 1 0.980631 0.173955 0.282025 0 0 0
+1595 1 0.919175 0.173621 0.281608 0 0 0
+1596 30 0.950037 0.0500146 0.343703 0 0 0
+1597 1 0.980526 0.074092 0.344265 0 0 0
+1598 1 0.919069 0.0734806 0.344102 0 0 0
+1599 30 0.850035 0.150022 0.343686 0 0 0
+1600 1 0.88063 0.173961 0.34431 0 0 0
+1601 1 0.81917 0.17361 0.344322 0 0 0
+1602 30 0.850057 0.0499893 0.406288 0 0 0
+1603 1 0.88042 0.0742394 0.406087 0 0 0
+1604 1 0.818967 0.0732982 0.40601 0 0 0
+1605 30 0.949983 0.149999 0.406238 0 0 0
+1606 1 0.980787 0.173688 0.406414 0 0 0
+1607 1 0.919327 0.173879 0.406306 0 0 0
+1608 30 0.949951 0.049999 0.468806 0 0 0
+1609 1 0.980979 0.0733885 0.468461 0 0 0
+1610 1 0.919524 0.0741543 0.468243 0 0 0
+1611 30 0.850019 0.149998 0.468803 0 0 0
+1612 1 0.880677 0.173868 0.468389 0 0 0
+1613 1 0.819216 0.17368 0.468387 0 0 0
+1614 30 0.850005 0.0499525 0.531423 0 0 0
+1615 1 0.880703 0.0737019 0.530229 0 0 0
+1616 1 0.819243 0.0736071 0.530131 0 0 0
+1617 30 0.94996 0.149999 0.531331 0 0 0
+1618 1 0.98095 0.173418 0.530634 0 0 0
+1619 1 0.919493 0.174094 0.530623 0 0 0
+1620 30 0.949865 0.049993 0.593859 0 0 0
+1621 1 0.981353 0.072714 0.592893 0 0 0
+1622 1 0.919925 0.0747206 0.592929 0 0 0
+1623 30 0.849998 0.14998 0.593843 0 0 0
+1624 1 0.880677 0.173795 0.593008 0 0 0
+1625 1 0.819216 0.173665 0.593051 0 0 0
+1626 30 0.850001 0.0499464 0.65627 0 0 0
+1627 1 0.880711 0.0737441 0.655765 0 0 0
+1628 1 0.819251 0.0736959 0.655842 0 0 0
+1629 30 0.949965 0.149995 0.656358 0 0 0
+1630 1 0.980903 0.173455 0.655355 0 0 0
+1631 1 0.919445 0.174001 0.655401 0 0 0
+1632 30 0.949981 0.0499974 0.718865 0 0 0
+1633 1 0.980856 0.0735259 0.717738 0 0 0
+1634 1 0.919398 0.0739266 0.717952 0 0 0
+1635 30 0.850013 0.149995 0.718857 0 0 0
+1636 1 0.880652 0.173841 0.717828 0 0 0
+1637 1 0.819192 0.173608 0.717845 0 0 0
+1638 30 0.850051 0.0499982 0.781339 0 0 0
+1639 1 0.880451 0.0741595 0.780423 0 0 0
+1640 1 0.818997 0.0733232 0.780533 0 0 0
+1641 30 0.949998 0.149994 0.78137 0 0 0
+1642 1 0.980831 0.173588 0.780344 0 0 0
+1643 1 0.919372 0.173842 0.780219 0 0 0
+1644 30 0.950083 0.0499698 0.84382 0 0 0
+1645 1 0.980471 0.0741696 0.843189 0 0 0
+1646 1 0.919017 0.0732863 0.843095 0 0 0
+1647 30 0.850029 0.150031 0.843948 0 0 0
+1648 1 0.880588 0.173795 0.841829 0 0 0
+1649 1 0.819129 0.173352 0.841832 0 0 0
+1650 30 0.850057 0.0499629 0.906273 0 0 0
+1651 1 0.880443 0.074185 0.906118 0 0 0
+1652 1 0.81899 0.0733012 0.905982 0 0 0
+1653 30 0.950076 0.149928 0.906258 0 0 0
+1654 1 0.981195 0.173202 0.906189 0 0 0
+1655 1 0.919743 0.174218 0.906189 0 0 0
+1656 30 0.95002 0.049982 0.968703 0 0 0
+1657 1 0.980731 0.0737862 0.969056 0 0 0
+1658 1 0.91927 0.073732 0.969132 0 0 0
+1659 30 0.849991 0.150046 0.968609 0 0 0
+1660 1 0.880743 0.173655 0.970256 0 0 0
+1661 1 0.819283 0.173706 0.970301 0 0 0
+1662 30 0.950059 0.349994 0.0311 0 0 0
+1663 1 0.980469 0.374121 0.0322185 0 0 0
+1664 1 0.919017 0.373256 0.0325583 0 0 0
+1665 30 0.950071 0.35009 0.281251 0 0 0
+1666 1 0.980681 0.374018 0.281732 0 0 0
+1667 1 0.919223 0.373721 0.281443 0 0 0
+1668 30 0.949975 0.24999 0.343719 0 0 0
+1669 1 0.980783 0.273666 0.344126 0 0 0
+1670 1 0.919325 0.27388 0.343749 0 0 0
+1671 30 0.849964 0.350007 0.343799 0 0 0
+1672 1 0.881201 0.373098 0.343136 0 0 0
+1673 1 0.819756 0.374442 0.343345 0 0 0
+1674 30 0.850003 0.250003 0.406248 0 0 0
+1675 1 0.880894 0.273579 0.406226 0 0 0
+1676 1 0.819435 0.273997 0.406286 0 0 0
+1677 30 0.949897 0.350013 0.406261 0 0 0
+1678 1 0.981105 0.373166 0.406072 0 0 0
+1679 1 0.919658 0.374418 0.406124 0 0 0
+1680 30 0.949987 0.249998 0.468803 0 0 0
+1681 1 0.980967 0.273437 0.468186 0 0 0
+1682 1 0.91951 0.274096 0.468343 0 0 0
+1683 30 0.849979 0.350003 0.468785 0 0 0
+1684 1 0.880976 0.37343 0.468378 0 0 0
+1685 1 0.819521 0.374133 0.468556 0 0 0
+1686 30 0.850006 0.249995 0.531311 0 0 0
+1687 1 0.880751 0.273743 0.53072 0 0 0
+1688 1 0.81929 0.273788 0.530852 0 0 0
+1689 30 0.949978 0.350001 0.531337 0 0 0
+1690 1 0.980975 0.373398 0.530491 0 0 0
+1691 1 0.919519 0.374104 0.530607 0 0 0
+1692 30 0.949981 0.250001 0.59385 0 0 0
+1693 1 0.980845 0.273566 0.59292 0 0 0
+1694 1 0.919386 0.273918 0.592972 0 0 0
+1695 30 0.850007 0.349999 0.593836 0 0 0
+1696 1 0.880658 0.373848 0.592989 0 0 0
+1697 1 0.819199 0.373658 0.593158 0 0 0
+1698 30 0.850009 0.249998 0.656369 0 0 0
+1699 1 0.8806 0.273896 0.655265 0 0 0
+1700 1 0.81914 0.273538 0.65527 0 0 0
+1701 30 0.949986 0.350009 0.656385 0 0 0
+1702 1 0.980836 0.373563 0.655197 0 0 0
+1703 1 0.919376 0.373862 0.655109 0 0 0
+1704 30 0.949989 0.249995 0.718877 0 0 0
+1705 1 0.980853 0.27354 0.717778 0 0 0
+1706 1 0.919394 0.273872 0.717632 0 0 0
+1707 30 0.85001 0.35005 0.719004 0 0 0
+1708 1 0.880562 0.373705 0.71642 0 0 0
+1709 1 0.819103 0.373237 0.716409 0 0 0
+1710 30 0.850009 0.249982 0.781398 0 0 0
+1711 1 0.88067 0.273773 0.780152 0 0 0
+1712 1 0.81921 0.273592 0.780134 0 0 0
+1713 30 0.950047 0.349937 0.781336 0 0 0
+1714 1 0.981296 0.373015 0.780712 0 0 0
+1715 1 0.919851 0.374365 0.780557 0 0 0
+1716 30 0.949892 0.250038 0.843882 0 0 0
+1717 1 0.981428 0.272715 0.843169 0 0 0
+1718 1 0.920014 0.274776 0.842431 0 0 0
+1719 30 0.850006 0.349969 0.843714 0 0 0
+1720 1 0.880681 0.37377 0.844727 0 0 0
+1721 1 0.819221 0.373633 0.844672 0 0 0
+1722 38 0.849982 0.250255 0.906266 0 0 0
+1723 30 0.949913 0.349988 0.906205 0 0 0
+1724 1 0.981159 0.373088 0.906531 0 0 0
+1725 1 0.919714 0.374427 0.906774 0 0 0
+1726 30 0.949878 0.250054 0.968599 0 0 0
+1727 1 0.981368 0.272777 0.969519 0 0 0
+1728 1 0.919959 0.27465 0.97057 0 0 0
+1729 30 0.850011 0.34995 0.968553 0 0 0
+1730 1 0.880671 0.373719 0.969951 0 0 0
+1731 1 0.819211 0.373532 0.970001 0 0 0
+1732 30 0.849996 0.449993 0.0310799 0 0 0
+1733 1 0.880636 0.473804 0.0323688 0 0 0
+1734 1 0.819178 0.473536 0.0326173 0 0 0
+1735 30 0.950029 0.549998 0.0312754 0 0 0
+1736 1 0.980555 0.57402 0.0305791 0 0 0
+1737 1 0.919097 0.573506 0.0307639 0 0 0
+1738 30 0.950091 0.449981 0.093583 0 0 0
+1739 1 0.980193 0.474452 0.0950042 0 0 0
+1740 1 0.918755 0.472813 0.0952137 0 0 0
+1741 30 0.850004 0.549969 0.0935324 0 0 0
+1742 1 0.879875 0.574634 0.0954505 0 0 0
+1743 1 0.818454 0.572442 0.095478 0 0 0
+1744 30 0.950102 0.550084 0.155881 0 0 0
+1745 1 0.980097 0.574082 0.159549 0 0 0
+1746 1 0.918666 0.572214 0.159422 0 0 0
+1747 30 0.849964 0.449995 0.406311 0 0 0
+1748 1 0.881327 0.472907 0.405543 0 0 0
+1749 1 0.81989 0.47459 0.405766 0 0 0
+1750 30 0.949889 0.550003 0.406426 0 0 0
+1751 1 0.981404 0.572598 0.404852 0 0 0
+1752 1 0.919979 0.574658 0.404705 0 0 0
+1753 30 0.949969 0.450002 0.468842 0 0 0
+1754 1 0.981103 0.473199 0.467823 0 0 0
+1755 1 0.919653 0.474274 0.467981 0 0 0
+1756 30 0.849963 0.549996 0.468844 0 0 0
+1757 1 0.881154 0.573119 0.467845 0 0 0
+1758 1 0.819705 0.574338 0.467941 0 0 0
+1759 30 0.849985 0.449992 0.531318 0 0 0
+1760 1 0.880833 0.473593 0.53055 0 0 0
+1761 1 0.819374 0.473916 0.530785 0 0 0
+1762 30 0.949962 0.549997 0.531387 0 0 0
+1763 1 0.981085 0.573172 0.53008 0 0 0
+1764 1 0.919633 0.574201 0.530081 0 0 0
+1765 30 0.949982 0.449994 0.593864 0 0 0
+1766 1 0.980905 0.473466 0.592799 0 0 0
+1767 1 0.919447 0.47398 0.592896 0 0 0
+1768 30 0.850013 0.549952 0.59385 0 0 0
+1769 1 0.88073 0.573706 0.592899 0 0 0
+1770 1 0.819269 0.573673 0.592915 0 0 0
+1771 30 0.850025 0.45 0.656391 0 0 0
+1772 1 0.880521 0.474008 0.655197 0 0 0
+1773 1 0.819064 0.473419 0.655297 0 0 0
+1774 30 0.949971 0.549966 0.656312 0 0 0
+1775 1 0.980963 0.573406 0.656064 0 0 0
+1776 1 0.919507 0.574082 0.655893 0 0 0
+1777 30 0.949876 0.450048 0.71893 0 0 0
+1778 1 0.981309 0.472826 0.717813 0 0 0
+1779 1 0.919887 0.474565 0.716981 0 0 0
+1780 30 0.850038 0.549932 0.718854 0 0 0
+1781 1 0.880624 0.573883 0.718257 0 0 0
+1782 1 0.819165 0.573521 0.71841 0 0 0
+1783 38 0.849943 0.450269 0.781192 0 0 0
+1784 30 0.949902 0.549958 0.781312 0 0 0
+1785 1 0.981149 0.573023 0.780484 0 0 0
+1786 1 0.919707 0.574408 0.780845 0 0 0
+1787 30 0.949871 0.450034 0.84367 0 0 0
+1788 1 0.981456 0.472666 0.843988 0 0 0
+1789 1 0.920049 0.474884 0.844796 0 0 0
+1790 30 0.850011 0.549937 0.843692 0 0 0
+1791 1 0.880554 0.573958 0.843948 0 0 0
+1792 1 0.819095 0.573477 0.843944 0 0 0
+1793 30 0.850003 0.449989 0.90616 0 0 0
+1794 1 0.880693 0.473798 0.906878 0 0 0
+1795 1 0.819232 0.473693 0.906885 0 0 0
+1796 30 0.949973 0.549978 0.906226 0 0 0
+1797 1 0.980867 0.57355 0.906311 0 0 0
+1798 1 0.919408 0.573973 0.906438 0 0 0
+1799 30 0.949993 0.449985 0.96868 0 0 0
+1800 1 0.980753 0.473722 0.969105 0 0 0
+1801 1 0.919294 0.473787 0.969326 0 0 0
+1802 30 0.850012 0.549988 0.96869 0 0 0
+1803 1 0.880547 0.574017 0.969052 0 0 0
+1804 1 0.819089 0.573506 0.969239 0 0 0
+1805 30 0.850128 0.650026 0.0312031 0 0 0
+1806 1 0.879742 0.675187 0.0312871 0 0 0
+1807 1 0.818359 0.672363 0.0320656 0 0 0
+1808 30 0.950009 0.749983 0.03105 0 0 0
+1809 1 0.980666 0.773541 0.0334954 0 0 0
+1810 1 0.919206 0.773354 0.033475 0 0 0
+1811 38 0.949947 0.650205 0.0939197 0 0 0
+1812 30 0.850127 0.749993 0.0935449 0 0 0
+1813 1 0.879939 0.774718 0.0955199 0 0 0
+1814 1 0.818523 0.772433 0.0952771 0 0 0
+1815 30 0.850205 0.650097 0.15596 0 0 0
+1816 1 0.879599 0.675044 0.159005 0 0 0
+1817 1 0.818236 0.67194 0.158033 0 0 0
+1818 30 0.949936 0.749972 0.155919 0 0 0
+1819 1 0.980983 0.772933 0.158643 0 0 0
+1820 1 0.919528 0.773796 0.158559 0 0 0
+1821 30 0.949993 0.74999 0.28124 0 0 0
+1822 1 0.980748 0.773744 0.281214 0 0 0
+1823 1 0.91929 0.773805 0.281556 0 0 0
+1824 30 0.949968 0.650007 0.343874 0 0 0
+1825 1 0.980823 0.673568 0.3428 0 0 0
+1826 1 0.919364 0.673918 0.343037 0 0 0
+1827 30 0.950127 0.749945 0.40642 0 0 0
+1828 1 0.980843 0.773664 0.405163 0 0 0
+1829 1 0.919389 0.773543 0.404607 0 0 0
+1830 30 0.949935 0.650008 0.468931 0 0 0
+1831 1 0.981105 0.673085 0.467403 0 0 0
+1832 1 0.919656 0.674192 0.467117 0 0 0
+1833 30 0.850044 0.750015 0.468913 0 0 0
+1834 1 0.880481 0.774135 0.468052 0 0 0
+1835 1 0.819027 0.77336 0.467817 0 0 0
+1836 30 0.849963 0.650071 0.531544 0 0 0
+1837 1 0.880884 0.673107 0.528522 0 0 0
+1838 1 0.819426 0.673543 0.528319 0 0 0
+1839 30 0.949847 0.750048 0.531457 0 0 0
+1840 1 0.981677 0.772274 0.530381 0 0 0
+1841 1 0.920312 0.775015 0.529085 0 0 0
+1842 30 0.950029 0.649931 0.593844 0 0 0
+1843 1 0.981463 0.672755 0.59319 0 0 0
+1844 1 0.920031 0.674585 0.592874 0 0 0
+1845 38 0.850185 0.75015 0.593578 0 0 0
+1846 30 0.85008 0.649943 0.65616 0 0 0
+1847 1 0.881186 0.673159 0.657337 0 0 0
+1848 1 0.819733 0.67413 0.657432 0 0 0
+1849 30 0.949774 0.750059 0.656225 0 0 0
+1850 1 0.982144 0.771548 0.655799 0 0 0
+1851 1 0.920873 0.776011 0.65693 0 0 0
+1852 30 0.949852 0.649967 0.718779 0 0 0
+1853 1 0.981449 0.672579 0.718357 0 0 0
+1854 1 0.920035 0.674888 0.718749 0 0 0
+1855 30 0.849902 0.750049 0.718622 0 0 0
+1856 1 0.881206 0.773063 0.719077 0 0 0
+1857 1 0.819789 0.774475 0.720231 0 0 0
+1858 30 0.850009 0.649967 0.781247 0 0 0
+1859 1 0.880595 0.673937 0.781153 0 0 0
+1860 1 0.819137 0.673566 0.781477 0 0 0
+1861 30 0.94982 0.74993 0.781339 0 0 0
+1862 1 0.980795 0.773315 0.780119 0 0 0
+1863 1 0.919345 0.774021 0.780699 0 0 0
+1864 30 0.949974 0.649959 0.843786 0 0 0
+1865 1 0.980821 0.673582 0.843308 0 0 0
+1866 1 0.919362 0.67389 0.843475 0 0 0
+1867 30 0.850038 0.749989 0.843777 0 0 0
+1868 1 0.880241 0.774434 0.843429 0 0 0
+1869 1 0.818795 0.773095 0.843575 0 0 0
+1870 30 0.85002 0.649969 0.906244 0 0 0
+1871 1 0.880425 0.67417 0.906176 0 0 0
+1872 1 0.81897 0.673336 0.906287 0 0 0
+1873 30 0.949995 0.750001 0.90636 0 0 0
+1874 1 0.980659 0.773798 0.905184 0 0 0
+1875 1 0.919199 0.773605 0.905024 0 0 0
+1876 30 0.950001 0.649956 0.968749 0 0 0
+1877 1 0.980706 0.673774 0.96881 0 0 0
+1878 1 0.919245 0.673708 0.968862 0 0 0
+1879 30 0.849986 0.749922 0.968691 0 0 0
+1880 1 0.879835 0.774788 0.969244 0 0 0
+1881 1 0.818415 0.77256 0.969277 0 0 0
+1882 30 0.850177 0.850039 0.0310326 0 0 0
+1883 1 0.879625 0.875124 0.0333418 0 0 0
+1884 1 0.818255 0.872072 0.0325113 0 0 0
+1885 30 0.950012 0.949959 0.0310868 0 0 0
+1886 1 0.980624 0.97384 0.0321182 0 0 0
+1887 1 0.919164 0.973521 0.0322313 0 0 0
+1888 30 0.949996 0.849992 0.0935138 0 0 0
+1889 1 0.98069 0.873613 0.0954953 0 0 0
+1890 1 0.919229 0.873526 0.0954603 0 0 0
+1891 30 0.850077 0.950003 0.0936044 0 0 0
+1892 1 0.880548 0.97405 0.0947503 0 0 0
+1893 1 0.819092 0.973356 0.0949482 0 0 0
+1894 30 0.850053 0.849984 0.156028 0 0 0
+1895 1 0.880378 0.87409 0.157945 0 0 0
+1896 1 0.818926 0.873071 0.157822 0 0 0
+1897 30 0.950031 0.950014 0.156076 0 0 0
+1898 1 0.980609 0.973875 0.157574 0 0 0
+1899 1 0.91915 0.973479 0.157593 0 0 0
+1900 30 0.94998 0.850025 0.218599 0 0 0
+1901 1 0.980666 0.873792 0.219787 0 0 0
+1902 1 0.919207 0.873634 0.2201 0 0 0
+1903 30 0.850064 0.950026 0.218539 0 0 0
+1904 1 0.880518 0.97399 0.220356 0 0 0
+1905 1 0.819061 0.97327 0.220379 0 0 0
+1906 30 0.950122 0.950044 0.281175 0 0 0
+1907 1 0.980056 0.974795 0.281935 0 0 0
+1908 1 0.918628 0.972775 0.281938 0 0 0
+1909 30 0.950026 0.85004 0.343885 0 0 0
+1910 1 0.980537 0.874089 0.343329 0 0 0
+1911 1 0.919106 0.873427 0.34222 0 0 0
+1912 30 0.850131 0.949996 0.343847 0 0 0
+1913 1 0.880026 0.974813 0.343414 0 0 0
+1914 1 0.818602 0.972702 0.343439 0 0 0
+1915 38 0.84981 0.850036 0.406052 0 0 0
+1916 30 0.949948 0.949992 0.406292 0 0 0
+1917 1 0.980923 0.973457 0.406236 0 0 0
+1918 1 0.919469 0.974087 0.40583 0 0 0
+1919 30 0.949882 0.850039 0.46879 0 0 0
+1920 1 0.98153 0.872585 0.468513 0 0 0
+1921 1 0.920118 0.875022 0.468624 0 0 0
+1922 30 0.85003 0.949962 0.468866 0 0 0
+1923 1 0.880482 0.97405 0.467871 0 0 0
+1924 1 0.819028 0.973306 0.467616 0 0 0
+1925 30 0.849995 0.850019 0.531575 0 0 0
+1926 1 0.880802 0.87327 0.528746 0 0 0
+1927 1 0.819343 0.873377 0.528454 0 0 0
+1928 30 0.949733 0.950056 0.53143 0 0 0
+1929 1 0.982009 0.971626 0.530334 0 0 0
+1930 1 0.920702 0.975674 0.52935 0 0 0
+1931 30 0.949839 0.849929 0.59387 0 0 0
+1932 1 0.982389 0.87107 0.592671 0 0 0
+1933 1 0.92113 0.876054 0.592718 0 0 0
+1934 38 0.850031 0.950311 0.593653 0 0 0
+1935 30 0.849921 0.849955 0.656115 0 0 0
+1936 1 0.88106 0.873127 0.657288 0 0 0
+1937 1 0.819609 0.874173 0.657484 0 0 0
+1938 30 0.949816 0.95004 0.656284 0 0 0
+1939 1 0.981715 0.97219 0.655423 0 0 0
+1940 1 0.920363 0.975387 0.656533 0 0 0
+1941 30 0.949945 0.850072 0.718921 0 0 0
+1942 1 0.980847 0.873346 0.716626 0 0 0
+1943 1 0.919433 0.874096 0.718047 0 0 0
+1944 30 0.850024 0.950004 0.718764 0 0 0
+1945 1 0.880544 0.974051 0.718377 0 0 0
+1946 1 0.819087 0.973519 0.71864 0 0 0
+1947 30 0.850055 0.850016 0.781281 0 0 0
+1948 1 0.880164 0.874565 0.780701 0 0 0
+1949 1 0.818726 0.873006 0.781095 0 0 0
+1950 30 0.950145 0.950052 0.78144 0 0 0
+1951 1 0.979966 0.974725 0.77927 0 0 0
+1952 1 0.918562 0.972614 0.780265 0 0 0
+1953 30 0.950012 0.849989 0.84376 0 0 0
+1954 1 0.979762 0.874985 0.84406 0 0 0
+1955 1 0.91836 0.872526 0.843379 0 0 0
+1956 30 0.850106 0.950012 0.843802 0 0 0
+1957 1 0.880018 0.974804 0.843287 0 0 0
+1958 1 0.818593 0.972737 0.843343 0 0 0
+1959 30 0.850165 0.850046 0.906324 0 0 0
+1960 1 0.879571 0.875404 0.905367 0 0 0
+1961 1 0.818206 0.872145 0.906004 0 0 0
+1962 30 0.95012 0.949994 0.906211 0 0 0
+1963 1 0.980067 0.974708 0.90719 0 0 0
+1964 1 0.918652 0.972795 0.906312 0 0 0
+1965 38 0.949963 0.850125 0.968823 0 0 0
+1966 30 0.850129 0.949985 0.968705 0 0 0
+1967 1 0.880152 0.974648 0.969144 0 0 0
+1968 1 0.818718 0.972862 0.968914 0 0 0
+ITEM: TIMESTEP
+20
+ITEM: NUMBER OF ATOMS
+1968
+ITEM: BOX BOUNDS
+-14.087 10.545
+-1.88253 22.7495
+-5.44214 33.9691
+ITEM: ATOMS
+1 37 0.725485 0.103829 0.139159 0 0 0
+2 34 0.663842 0.0828544 0.143004 0 0 0
+3 34 0.771005 0.0550661 0.145595 0 0 0
+4 33 0.734214 0.156947 0.127724 0 0 0
+5 19 0.776957 0.168628 0.104816 0 0 0
+6 7 0.761306 0.167322 0.0783899 0 0 0
+7 7 0.813219 0.141882 0.106074 0 0 0
+8 17 0.801335 0.224051 0.112077 0 0 0
+9 6 0.842181 0.22888 0.100508 0 0 0
+10 36 0.765898 0.264947 0.0944526 0 0 0
+11 18 0.749513 0.307179 0.121923 0 0 0
+12 6 0.744239 0.343747 0.105754 0 0 0
+13 22 0.691702 0.317938 0.11921 0 0 0
+14 15 0.615312 0.362114 0.113526 0 0 0
+15 29 0.601378 0.307728 0.112041 0 0 0
+16 14 0.648878 0.282344 0.115685 0 0 0
+17 4 0.656781 0.238806 0.115921 0 0 0
+18 27 0.609579 0.457966 0.113085 0 0 0
+19 14 0.66394 0.458372 0.118048 0 0 0
+20 4 0.683086 0.498068 0.120531 0 0 0
+21 27 0.697208 0.415484 0.119686 0 0 0
+22 15 0.670821 0.369102 0.117918 0 0 0
+23 11 0.58425 0.409737 0.111299 0 0 0
+24 21 0.529867 0.409258 0.106389 0 0 0
+25 2 0.50986 0.44449 0.107997 0 0 0
+26 2 0.510346 0.373662 0.106338 0 0 0
+27 18 0.774839 0.284779 0.154273 0 0 0
+28 6 0.810115 0.312338 0.150824 0 0 0
+29 35 0.745552 0.306914 0.177714 0 0 0
+30 5 0.756421 0.326698 0.197571 0 0 0
+31 17 0.806613 0.236693 0.15203 0 0 0
+32 6 0.795528 0.199409 0.166301 0 0 0
+33 33 0.863495 0.252473 0.159175 0 0 0
+34 37 0.87225 0.271842 0.198396 0 0 0
+35 34 0.931052 0.268933 0.201881 0 0 0
+36 34 0.836917 0.236877 0.220065 0 0 0
+37 33 0.861305 0.334917 0.203769 0 0 0
+38 19 0.868652 0.372816 0.175422 0 0 0
+39 7 0.851143 0.362496 0.150256 0 0 0
+40 7 0.913131 0.37616 0.171237 0 0 0
+41 17 0.851737 0.429997 0.184941 0 0 0
+42 6 0.875394 0.46099 0.170769 0 0 0
+43 36 0.793111 0.437923 0.173782 0 0 0
+44 18 0.763364 0.460912 0.205397 0 0 0
+45 6 0.741904 0.490044 0.188567 0 0 0
+46 23 0.710339 0.433558 0.207724 0 0 0
+47 12 0.70281 0.380156 0.210854 0 0 0
+48 4 0.738435 0.368586 0.22558 0 0 0
+49 10 0.666114 0.467977 0.204863 0 0 0
+50 31 0.670626 0.517258 0.202686 0 0 0
+51 24 0.616604 0.442932 0.204222 0 0 0
+52 3 0.586922 0.471165 0.203102 0 0 0
+53 9 0.606845 0.388246 0.20652 0 0 0
+54 31 0.559714 0.370341 0.205458 0 0 0
+55 13 0.655016 0.354162 0.210121 0 0 0
+56 20 0.649938 0.294556 0.211983 0 0 0
+57 8 0.62065 0.282086 0.231954 0 0 0
+58 8 0.688383 0.273833 0.219022 0 0 0
+59 8 0.636095 0.27688 0.187533 0 0 0
+60 18 0.805122 0.46 0.233883 0 0 0
+61 6 0.816287 0.503278 0.230095 0 0 0
+62 35 0.778526 0.461188 0.261934 0 0 0
+63 5 0.776285 0.48008 0.283193 0 0 0
+64 17 0.858637 0.44229 0.224959 0 0 0
+65 6 0.878138 0.406739 0.237305 0 0 0
+66 33 0.893976 0.490268 0.228742 0 0 0
+67 37 0.898085 0.512008 0.26773 0 0 0
+68 34 0.948923 0.539396 0.268552 0 0 0
+69 34 0.886841 0.464402 0.291316 0 0 0
+70 33 0.851043 0.557279 0.272581 0 0 0
+71 19 0.845265 0.600292 0.248732 0 0 0
+72 7 0.838857 0.585705 0.222359 0 0 0
+73 7 0.88272 0.625409 0.249232 0 0 0
+74 17 0.799949 0.639192 0.258113 0 0 0
+75 6 0.801853 0.677134 0.242917 0 0 0
+76 36 0.746488 0.612054 0.248328 0 0 0
+77 18 0.710105 0.618322 0.280267 0 0 0
+78 6 0.674749 0.631191 0.264721 0 0 0
+79 22 0.680228 0.568015 0.285022 0 0 0
+80 12 0.704043 0.519605 0.289934 0 0 0
+81 4 0.74467 0.530843 0.298351 0 0 0
+82 12 0.675718 0.472706 0.291626 0 0 0
+83 4 0.694494 0.433018 0.295078 0 0 0
+84 9 0.623952 0.571134 0.283188 0 0 0
+85 32 0.601719 0.616092 0.279868 0 0 0
+86 26 0.593699 0.525414 0.285714 0 0 0
+87 11 0.618298 0.477799 0.289215 0 0 0
+88 21 0.587403 0.432851 0.291613 0 0 0
+89 2 0.602846 0.395336 0.292554 0 0 0
+90 2 0.547312 0.438501 0.28974 0 0 0
+91 18 0.745857 0.643541 0.307624 0 0 0
+92 6 0.731051 0.685716 0.30385 0 0 0
+93 35 0.72299 0.630349 0.336478 0 0 0
+94 5 0.713906 0.6446 0.358427 0 0 0
+95 17 0.80049 0.655941 0.297857 0 0 0
+96 6 0.836467 0.63522 0.308873 0 0 0
+97 33 0.804472 0.71581 0.30018 0 0 0
+98 37 0.797556 0.738695 0.337729 0 0 0
+99 34 0.823587 0.79188 0.337752 0 0 0
+100 34 0.81749 0.697243 0.363052 0 0 0
+101 33 0.734538 0.752025 0.344589 0 0 0
+102 19 0.700382 0.767612 0.315903 0 0 0
+103 7 0.699539 0.740333 0.293459 0 0 0
+104 7 0.715241 0.807023 0.305818 0 0 0
+105 17 0.642602 0.778989 0.326784 0 0 0
+106 6 0.623073 0.810485 0.310715 0 0 0
+107 36 0.609808 0.727444 0.320701 0 0 0
+108 18 0.578957 0.716989 0.353767 0 0 0
+109 6 0.540985 0.707848 0.339668 0 0 0
+110 22 0.580436 0.659022 0.360994 0 0 0
+111 12 0.626661 0.630298 0.366021 0 0 0
+112 4 0.657114 0.661395 0.371012 0 0 0
+113 12 0.626729 0.576416 0.370808 0 0 0
+114 4 0.663671 0.552887 0.374754 0 0 0
+115 9 0.530802 0.63213 0.361411 0 0 0
+116 32 0.487967 0.658291 0.357278 0 0 0
+117 26 0.528997 0.577695 0.366672 0 0 0
+118 11 0.575137 0.550644 0.370899 0 0 0
+119 21 0.572579 0.496405 0.375894 0 0 0
+120 2 0.606622 0.475273 0.379977 0 0 0
+121 2 0.536502 0.477823 0.376612 0 0 0
+122 18 0.59958 0.758982 0.378258 0 0 0
+123 6 0.565619 0.78775 0.37369 0 0 0
+124 35 0.588472 0.741058 0.407516 0 0 0
+125 5 0.572895 0.75191 0.42879 0 0 0
+126 17 0.638082 0.797314 0.36608 0 0 0
+127 6 0.679153 0.801666 0.377409 0 0 0
+128 33 0.611324 0.850704 0.367632 0 0 0
+129 37 0.59798 0.870319 0.405659 0 0 0
+130 34 0.595485 0.928292 0.403713 0 0 0
+131 34 0.638472 0.844131 0.42994 0 0 0
+132 33 0.537111 0.850659 0.415333 0 0 0
+133 19 0.493741 0.859554 0.392355 0 0 0
+134 7 0.503993 0.850579 0.365482 0 0 0
+135 7 0.482918 0.903288 0.393699 0 0 0
+136 17 0.442629 0.828308 0.401166 0 0 0
+137 6 0.409904 0.837607 0.382657 0 0 0
+138 36 0.454622 0.767794 0.397604 0 0 0
+139 18 0.432078 0.742224 0.431343 0 0 0
+140 6 0.414284 0.707846 0.416874 0 0 0
+141 23 0.47094 0.700677 0.442465 0 0 0
+142 12 0.523158 0.70942 0.449163 0 0 0
+143 4 0.52399 0.751932 0.456824 0 0 0
+144 10 0.45013 0.649274 0.445111 0 0 0
+145 31 0.401696 0.639084 0.441245 0 0 0
+146 24 0.486684 0.609313 0.452854 0 0 0
+147 3 0.464814 0.57469 0.454137 0 0 0
+148 9 0.54162 0.616059 0.457908 0 0 0
+149 31 0.570585 0.576084 0.464673 0 0 0
+150 13 0.561104 0.671501 0.455562 0 0 0
+151 20 0.619617 0.683536 0.459713 0 0 0
+152 8 0.636095 0.666617 0.48373 0 0 0
+153 8 0.62843 0.727724 0.460986 0 0 0
+154 8 0.644118 0.66766 0.438225 0 0 0
+155 18 0.412419 0.789879 0.453794 0 0 0
+156 6 0.368467 0.786708 0.447782 0 0 0
+157 35 0.405604 0.779369 0.482882 0 0 0
+158 5 0.389188 0.760215 0.501449 0 0 0
+159 17 0.419906 0.843156 0.438596 0 0 0
+160 6 0.450788 0.872306 0.448093 0 0 0
+161 33 0.363433 0.864287 0.434549 0 0 0
+162 37 0.340809 0.89507 0.464847 0 0 0
+163 34 0.300585 0.931781 0.448999 0 0 0
+164 34 0.385384 0.918993 0.485277 0 0 0
+165 33 0.309144 0.852564 0.48802 0 0 0
+166 19 0.266132 0.820307 0.473219 0 0 0
+167 7 0.2781 0.80186 0.448606 0 0 0
+168 7 0.230509 0.846807 0.468253 0 0 0
+169 17 0.247665 0.775809 0.496896 0 0 0
+170 6 0.207508 0.759424 0.489159 0 0 0
+171 36 0.287717 0.72834 0.491832 0 0 0
+172 18 0.303746 0.712934 0.530229 0 0 0
+173 6 0.302227 0.668206 0.526725 0 0 0
+174 22 0.360862 0.699801 0.531916 0 0 0
+175 15 0.434462 0.651245 0.537163 0 0 0
+176 29 0.452378 0.703353 0.535831 0 0 0
+177 14 0.406671 0.731032 0.534115 0 0 0
+178 4 0.402622 0.774807 0.537275 0 0 0
+179 27 0.432314 0.55493 0.542529 0 0 0
+180 14 0.378781 0.559409 0.539166 0 0 0
+181 4 0.35626 0.521331 0.539817 0 0 0
+182 27 0.34805 0.602437 0.535886 0 0 0
+183 15 0.378366 0.64792 0.534565 0 0 0
+184 11 0.462035 0.601811 0.541451 0 0 0
+185 21 0.516476 0.598472 0.545496 0 0 0
+186 2 0.5291 0.559894 0.545964 0 0 0
+187 2 0.538101 0.632508 0.542559 0 0 0
+188 18 0.27488 0.754621 0.554476 0 0 0
+189 6 0.242092 0.728523 0.564902 0 0 0
+190 35 0.296464 0.759969 0.580878 0 0 0
+191 5 0.303391 0.741787 0.601985 0 0 0
+192 17 0.243554 0.795623 0.536391 0 0 0
+193 6 0.25461 0.839345 0.535964 0 0 0
+194 33 0.187277 0.784747 0.548213 0 0 0
+195 37 0.172442 0.811463 0.582077 0 0 0
+196 34 0.115796 0.829392 0.575567 0 0 0
+197 34 0.212974 0.851788 0.593717 0 0 0
+198 33 0.169752 0.763547 0.609727 0 0 0
+199 19 0.158874 0.708039 0.599122 0 0 0
+200 7 0.174249 0.694922 0.573921 0 0 0
+201 7 0.114186 0.702027 0.598448 0 0 0
+202 17 0.183137 0.666603 0.623205 0 0 0
+203 6 0.166734 0.625415 0.618021 0 0 0
+204 36 0.242513 0.661685 0.613675 0 0 0
+205 18 0.273941 0.669467 0.648238 0 0 0
+206 6 0.308781 0.641784 0.643635 0 0 0
+207 23 0.320077 0.705588 0.64339 0 0 0
+208 15 0.373195 0.689571 0.643478 0 0 0
+209 21 0.470423 0.589768 0.653534 0 0 0
+210 2 0.510509 0.583355 0.653726 0 0 0
+211 2 0.449083 0.556563 0.65947 0 0 0
+212 28 0.391978 0.63965 0.649496 0 0 0
+213 11 0.444777 0.635869 0.648411 0 0 0
+214 25 0.477827 0.679671 0.642485 0 0 0
+215 3 0.518459 0.674661 0.641064 0 0 0
+216 9 0.460183 0.732503 0.636011 0 0 0
+217 31 0.493846 0.76891 0.630992 0 0 0
+218 16 0.402828 0.736313 0.637063 0 0 0
+219 29 0.370015 0.780188 0.632912 0 0 0
+220 14 0.320735 0.761513 0.639138 0 0 0
+221 4 0.282742 0.783321 0.635228 0 0 0
+222 18 0.230438 0.67832 0.675686 0 0 0
+223 6 0.229867 0.636954 0.686917 0 0 0
+224 35 0.254235 0.700011 0.701515 0 0 0
+225 5 0.263422 0.699072 0.72518 0 0 0
+226 17 0.17504 0.679917 0.663127 0 0 0
+227 6 0.150297 0.717619 0.663635 0 0 0
+228 33 0.148584 0.632333 0.679683 0 0 0
+229 37 0.145568 0.638189 0.720124 0 0 0
+230 34 0.0974586 0.60615 0.729309 0 0 0
+231 34 0.146645 0.696801 0.730658 0 0 0
+232 33 0.196926 0.607566 0.735758 0 0 0
+233 19 0.201549 0.550777 0.736336 0 0 0
+234 7 0.187153 0.532802 0.712098 0 0 0
+235 7 0.175675 0.534819 0.757162 0 0 0
+236 17 0.258806 0.530125 0.742043 0 0 0
+237 6 0.265173 0.489782 0.730083 0 0 0
+238 36 0.293735 0.570238 0.726112 0 0 0
+239 18 0.342253 0.581673 0.749928 0 0 0
+240 6 0.373726 0.575123 0.730155 0 0 0
+241 23 0.355138 0.639364 0.746956 0 0 0
+242 12 0.319559 0.680469 0.752581 0 0 0
+243 4 0.279065 0.66417 0.757121 0 0 0
+244 10 0.408226 0.650626 0.737721 0 0 0
+245 31 0.442227 0.614939 0.732748 0 0 0
+246 24 0.420778 0.704385 0.734756 0 0 0
+247 3 0.459556 0.713717 0.728812 0 0 0
+248 9 0.386224 0.747621 0.739723 0 0 0
+249 31 0.402886 0.794614 0.736164 0 0 0
+250 13 0.330672 0.733248 0.748803 0 0 0
+251 20 0.290363 0.776236 0.755182 0 0 0
+252 8 0.24784 0.761501 0.753305 0 0 0
+253 8 0.293544 0.809946 0.736559 0 0 0
+254 8 0.295285 0.794516 0.780769 0 0 0
+255 18 0.326621 0.550317 0.78103 0 0 0
+256 6 0.358262 0.520555 0.78862 0 0 0
+257 35 0.331291 0.585423 0.80863 0 0 0
+258 5 0.369194 0.578304 0.812148 0 0 0
+259 17 0.275049 0.524051 0.781264 0 0 0
+260 6 0.238781 0.538001 0.795576 0 0 0
+261 33 0.291717 0.466194 0.787639 0 0 0
+262 37 0.307685 0.455084 0.825352 0 0 0
+263 34 0.311759 0.394714 0.827304 0 0 0
+264 34 0.266826 0.481474 0.847818 0 0 0
+265 33 0.36712 0.471296 0.836544 0 0 0
+266 19 0.414369 0.456093 0.818017 0 0 0
+267 7 0.409709 0.417796 0.803413 0 0 0
+268 7 0.443855 0.445956 0.838386 0 0 0
+269 17 0.445467 0.494809 0.793385 0 0 0
+270 6 0.426074 0.49397 0.767939 0 0 0
+271 36 0.445094 0.551541 0.805814 0 0 0
+272 18 0.492207 0.579969 0.806935 0 0 0
+273 6 0.469974 0.617561 0.799894 0 0 0
+274 23 0.491981 0.609964 0.839087 0 0 0
+275 12 0.478721 0.589888 0.870049 0 0 0
+276 4 0.463364 0.548666 0.867047 0 0 0
+277 10 0.50712 0.664282 0.835467 0 0 0
+278 31 0.519361 0.683717 0.807801 0 0 0
+279 24 0.5091 0.693344 0.864847 0 0 0
+280 3 0.516821 0.733371 0.86209 0 0 0
+281 9 0.496097 0.675205 0.896824 0 0 0
+282 31 0.499844 0.705534 0.921541 0 0 0
+283 13 0.480188 0.617982 0.898944 0 0 0
+284 20 0.466045 0.593798 0.931897 0 0 0
+285 8 0.432139 0.616264 0.94408 0 0 0
+286 8 0.500579 0.595615 0.949994 0 0 0
+287 8 0.452659 0.55085 0.929858 0 0 0
+288 18 0.531943 0.536693 0.796808 0 0 0
+289 6 0.562276 0.542159 0.776227 0 0 0
+290 35 0.581018 0.544888 0.806697 0 0 0
+291 5 0.607497 0.571994 0.801001 0 0 0
+292 17 0.507005 0.481841 0.791548 0 0 0
+293 6 0.51249 0.447952 0.809832 0 0 0
+294 33 0.521345 0.471549 0.755464 0 0 0
+295 37 0.558641 0.429563 0.746672 0 0 0
+296 34 0.594544 0.411893 0.775702 0 0 0
+297 34 0.584506 0.440287 0.71381 0 0 0
+298 33 0.513539 0.38526 0.742298 0 0 0
+299 19 0.525751 0.328497 0.746897 0 0 0
+300 7 0.51126 0.317279 0.772656 0 0 0
+301 7 0.569319 0.316908 0.746054 0 0 0
+302 17 0.49741 0.292138 0.721306 0 0 0
+303 6 0.487681 0.251889 0.73248 0 0 0
+304 36 0.445051 0.317112 0.711576 0 0 0
+305 18 0.453048 0.336846 0.673428 0 0 0
+306 6 0.410834 0.340383 0.66375 0 0 0
+307 22 0.440081 0.393753 0.672659 0 0 0
+308 15 0.389878 0.467089 0.673367 0 0 0
+309 29 0.442314 0.484044 0.675556 0 0 0
+310 14 0.471603 0.439411 0.675528 0 0 0
+311 4 0.515764 0.436873 0.676308 0 0 0
+312 27 0.293328 0.4645 0.670683 0 0 0
+313 14 0.29858 0.411549 0.669078 0 0 0
+314 4 0.260305 0.389629 0.666852 0 0 0
+315 27 0.341873 0.380074 0.66965 0 0 0
+316 15 0.387166 0.41106 0.671713 0 0 0
+317 11 0.340408 0.494399 0.672614 0 0 0
+318 21 0.339112 0.546811 0.66881 0 0 0
+319 2 0.367396 0.575094 0.673151 0 0 0
+320 2 0.304486 0.563119 0.677271 0 0 0
+321 18 0.508856 0.312578 0.662251 0 0 0
+322 6 0.489378 0.278591 0.648279 0 0 0
+323 35 0.525496 0.335244 0.634924 0 0 0
+324 5 0.534196 0.327504 0.611678 0 0 0
+325 17 0.536041 0.281491 0.688811 0 0 0
+326 6 0.578231 0.292078 0.696266 0 0 0
+327 33 0.530702 0.223239 0.678913 0 0 0
+328 37 0.560137 0.210798 0.642545 0 0 0
+329 34 0.576416 0.154106 0.646514 0 0 0
+330 34 0.603494 0.252057 0.635768 0 0 0
+331 33 0.51337 0.214783 0.614893 0 0 0
+332 19 0.463886 0.185131 0.619742 0 0 0
+333 7 0.449762 0.183618 0.646497 0 0 0
+334 7 0.469765 0.142557 0.611191 0 0 0
+335 17 0.416165 0.207836 0.600263 0 0 0
+336 6 0.37676 0.193147 0.610454 0 0 0
+337 36 0.415681 0.269373 0.604729 0 0 0
+338 18 0.406687 0.29108 0.567671 0 0 0
+339 6 0.373925 0.319567 0.575312 0 0 0
+340 23 0.440488 0.339198 0.562885 0 0 0
+341 12 0.495262 0.340232 0.566998 0 0 0
+342 4 0.509643 0.300316 0.574857 0 0 0
+343 10 0.412331 0.386084 0.554356 0 0 0
+344 31 0.363056 0.386895 0.550554 0 0 0
+345 24 0.443613 0.431599 0.550877 0 0 0
+346 3 0.426018 0.467249 0.544601 0 0 0
+347 9 0.498654 0.435376 0.555142 0 0 0
+348 31 0.522731 0.479177 0.551518 0 0 0
+349 13 0.526166 0.384492 0.563536 0 0 0
+350 20 0.58524 0.383553 0.569168 0 0 0
+351 8 0.606684 0.419139 0.558198 0 0 0
+352 8 0.604324 0.34714 0.557573 0 0 0
+353 8 0.595824 0.382687 0.596566 0 0 0
+354 18 0.407964 0.241376 0.543973 0 0 0
+355 6 0.363461 0.237304 0.540154 0 0 0
+356 35 0.422077 0.261654 0.514624 0 0 0
+357 5 0.411007 0.256883 0.49146 0 0 0
+358 17 0.41712 0.190349 0.560464 0 0 0
+359 6 0.454982 0.166728 0.55637 0 0 0
+360 33 0.367009 0.159245 0.553686 0 0 0
+361 37 0.35895 0.14556 0.513483 0 0 0
+362 34 0.323182 0.0998377 0.513701 0 0 0
+363 34 0.413603 0.143447 0.49718 0 0 0
+364 33 0.322753 0.194303 0.49754 0 0 0
+365 19 0.284125 0.222776 0.518533 0 0 0
+366 7 0.299705 0.241578 0.542235 0 0 0
+367 7 0.253105 0.192659 0.526563 0 0 0
+368 17 0.254179 0.265688 0.498437 0 0 0
+369 6 0.212941 0.273263 0.508828 0 0 0
+370 36 0.284293 0.318557 0.503571 0 0 0
+371 18 0.296432 0.340365 0.466947 0 0 0
+372 6 0.293515 0.384524 0.472391 0 0 0
+373 22 0.352235 0.358931 0.465713 0 0 0
+374 15 0.421691 0.414081 0.463634 0 0 0
+375 29 0.444076 0.363217 0.468177 0 0 0
+376 14 0.400118 0.331621 0.469146 0 0 0
+377 4 0.398166 0.288057 0.464447 0 0 0
+378 27 0.412791 0.508921 0.45577 0 0 0
+379 14 0.358583 0.500658 0.454483 0 0 0
+380 4 0.333611 0.536566 0.450286 0 0 0
+381 27 0.332087 0.453924 0.457628 0 0 0
+382 15 0.365392 0.412165 0.462063 0 0 0
+383 11 0.445384 0.465687 0.460376 0 0 0
+384 21 0.499553 0.474333 0.461509 0 0 0
+385 2 0.524482 0.443217 0.466292 0 0 0
+386 2 0.513677 0.512364 0.460556 0 0 0
+387 18 0.274404 0.296601 0.44301 0 0 0
+388 6 0.236242 0.318725 0.437131 0 0 0
+389 35 0.297537 0.303038 0.414524 0 0 0
+390 5 0.294638 0.310198 0.390649 0 0 0
+391 17 0.248848 0.25047 0.45873 0 0 0
+392 6 0.263719 0.208333 0.454891 0 0 0
+393 33 0.190853 0.253649 0.449036 0 0 0
+394 37 0.181593 0.247066 0.408875 0 0 0
+395 34 0.126358 0.226647 0.405921 0 0 0
+396 34 0.226988 0.21415 0.393425 0 0 0
+397 33 0.181181 0.306961 0.392021 0 0 0
+398 19 0.154964 0.351086 0.409336 0 0 0
+399 7 0.16891 0.357003 0.435888 0 0 0
+400 7 0.110597 0.343068 0.410143 0 0 0
+401 17 0.161245 0.404833 0.390578 0 0 0
+402 6 0.132528 0.436205 0.399963 0 0 0
+403 36 0.217034 0.426227 0.399618 0 0 0
+404 18 0.245346 0.437272 0.363983 0 0 0
+405 6 0.270488 0.472397 0.372095 0 0 0
+406 23 0.300388 0.416074 0.365813 0 0 0
+407 15 0.345516 0.44823 0.366203 0 0 0
+408 21 0.404702 0.575018 0.361005 0 0 0
+409 2 0.439416 0.596009 0.36198 0 0 0
+410 2 0.3723 0.599059 0.358187 0 0 0
+411 28 0.346662 0.502004 0.362995 0 0 0
+412 11 0.39557 0.523001 0.364504 0 0 0
+413 25 0.441255 0.491056 0.368172 0 0 0
+414 3 0.475191 0.513989 0.369386 0 0 0
+415 9 0.441976 0.434963 0.371473 0 0 0
+416 31 0.485682 0.409878 0.374742 0 0 0
+417 16 0.388888 0.412713 0.370034 0 0 0
+418 29 0.372226 0.359702 0.371705 0 0 0
+419 14 0.318487 0.364185 0.368117 0 0 0
+420 4 0.28956 0.333381 0.359909 0 0 0
+421 18 0.20413 0.420083 0.336758 0 0 0
+422 6 0.190179 0.46106 0.328835 0 0 0
+423 35 0.229935 0.410068 0.309008 0 0 0
+424 5 0.246133 0.41982 0.287708 0 0 0
+425 17 0.153127 0.398535 0.349917 0 0 0
+426 6 0.139208 0.356079 0.346059 0 0 0
+427 33 0.112342 0.438409 0.338602 0 0 0
+428 37 0.106983 0.443127 0.298246 0 0 0
+429 34 0.0510214 0.453766 0.292019 0 0 0
+430 34 0.130324 0.391939 0.28065 0 0 0
+431 33 0.144171 0.493777 0.286764 0 0 0
+432 19 0.138995 0.544004 0.305916 0 0 0
+433 7 0.145936 0.539046 0.333597 0 0 0
+434 7 0.0974638 0.561064 0.303232 0 0 0
+435 17 0.177392 0.588116 0.293378 0 0 0
+436 6 0.167319 0.62825 0.304596 0 0 0
+437 36 0.233623 0.57345 0.307119 0 0 0
+438 18 0.271812 0.577005 0.275115 0 0 0
+439 6 0.308728 0.594513 0.287056 0 0 0
+440 23 0.309275 0.531068 0.276035 0 0 0
+441 15 0.364124 0.535807 0.277978 0 0 0
+442 21 0.479856 0.61512 0.279321 0 0 0
+443 2 0.520369 0.615493 0.280937 0 0 0
+444 2 0.464323 0.652628 0.279264 0 0 0
+445 28 0.392441 0.58152 0.277228 0 0 0
+446 11 0.445488 0.574767 0.279687 0 0 0
+447 25 0.468483 0.523553 0.281142 0 0 0
+448 3 0.509418 0.524114 0.282579 0 0 0
+449 9 0.440518 0.474828 0.281532 0 0 0
+450 31 0.46492 0.430469 0.282836 0 0 0
+451 16 0.38349 0.482742 0.279383 0 0 0
+452 29 0.342096 0.445339 0.278021 0 0 0
+453 14 0.297923 0.477129 0.276599 0 0 0
+454 4 0.256248 0.469173 0.268741 0 0 0
+455 18 0.234546 0.590133 0.244815 0 0 0
+456 6 0.244908 0.633563 0.240823 0 0 0
+457 35 0.260498 0.570887 0.218397 0 0 0
+458 5 0.279112 0.572744 0.197028 0 0 0
+459 17 0.177473 0.593603 0.252306 0 0 0
+460 6 0.145752 0.564712 0.243614 0 0 0
+461 33 0.164254 0.650047 0.24326 0 0 0
+462 37 0.169794 0.663556 0.204028 0 0 0
+463 34 0.136156 0.710248 0.197878 0 0 0
+464 34 0.159057 0.611813 0.183431 0 0 0
+465 33 0.230876 0.684455 0.195846 0 0 0
+466 19 0.256537 0.722582 0.218044 0 0 0
+467 7 0.257517 0.710331 0.245167 0 0 0
+468 7 0.233388 0.761267 0.217177 0 0 0
+469 17 0.313249 0.737245 0.206024 0 0 0
+470 6 0.327249 0.775897 0.217622 0 0 0
+471 36 0.351352 0.693411 0.219845 0 0 0
+472 18 0.385052 0.67468 0.188046 0 0 0
+473 6 0.424713 0.668175 0.200839 0 0 0
+474 22 0.388908 0.615913 0.188744 0 0 0
+475 15 0.423087 0.534769 0.193037 0 0 0
+476 29 0.36788 0.525686 0.188267 0 0 0
+477 14 0.349861 0.577397 0.186567 0 0 0
+478 4 0.312654 0.592808 0.175105 0 0 0
+479 27 0.517461 0.517764 0.199449 0 0 0
+480 14 0.523746 0.572873 0.199537 0 0 0
+481 4 0.5647 0.588976 0.202445 0 0 0
+482 27 0.485679 0.610026 0.195535 0 0 0
+483 15 0.436434 0.589667 0.193174 0 0 0
+484 11 0.466489 0.498248 0.196562 0 0 0
+485 21 0.460019 0.443512 0.196189 0 0 0
+486 2 0.493899 0.42384 0.202843 0 0 0
+487 2 0.422708 0.42899 0.200385 0 0 0
+488 18 0.361857 0.706646 0.15758 0 0 0
+489 6 0.395112 0.736603 0.154099 0 0 0
+490 35 0.373146 0.675037 0.131559 0 0 0
+491 5 0.384011 0.676234 0.108178 0 0 0
+492 17 0.317258 0.742034 0.164939 0 0 0
+493 6 0.275185 0.736707 0.155341 0 0 0
+494 33 0.339049 0.796049 0.156247 0 0 0
+495 37 0.352664 0.803009 0.116681 0 0 0
+496 34 0.350265 0.860618 0.110461 0 0 0
+497 34 0.315949 0.765377 0.096276 0 0 0
+498 33 0.415651 0.78604 0.110234 0 0 0
+499 19 0.456555 0.804085 0.133255 0 0 0
+500 7 0.448238 0.79483 0.160351 0 0 0
+501 7 0.459747 0.848963 0.131261 0 0 0
+502 17 0.512317 0.783139 0.123916 0 0 0
+503 6 0.544493 0.805867 0.137645 0 0 0
+504 36 0.516108 0.724354 0.136884 0 0 0
+505 18 0.539933 0.692329 0.105888 0 0 0
+506 6 0.569985 0.670708 0.121991 0 0 0
+507 23 0.51149 0.639918 0.10384 0 0 0
+508 12 0.457583 0.634648 0.0994874 0 0 0
+509 4 0.445086 0.675013 0.091274 0 0 0
+510 10 0.543989 0.59526 0.108208 0 0 0
+511 31 0.593488 0.59782 0.1115 0 0 0
+512 24 0.517982 0.545914 0.106269 0 0 0
+513 3 0.546434 0.51812 0.112495 0 0 0
+514 9 0.46298 0.53822 0.102131 0 0 0
+515 31 0.444081 0.491142 0.100766 0 0 0
+516 13 0.430502 0.587248 0.0987989 0 0 0
+517 20 0.371628 0.583194 0.0931612 0 0 0
+518 8 0.344774 0.617443 0.100563 0 0 0
+519 8 0.35289 0.548906 0.107242 0 0 0
+520 8 0.361061 0.580239 0.0658182 0 0 0
+521 18 0.544686 0.73269 0.0753629 0 0 0
+522 6 0.588719 0.742171 0.0768279 0 0 0
+523 35 0.549583 0.710696 0.0464078 0 0 0
+524 5 0.566517 0.68918 0.0290731 0 0 0
+525 17 0.52391 0.786525 0.0836745 0 0 0
+526 6 0.487697 0.805201 0.0715844 0 0 0
+527 33 0.57338 0.821702 0.0781735 0 0 0
+528 30 0.050285 0.0502294 0.0314526 0 0 0
+529 1 0.0788864 0.0756731 0.0272755 0 0 0
+530 1 0.0179031 0.0717117 0.0313618 0 0 0
+531 30 0.149838 0.14994 0.0316532 0 0 0
+532 1 0.1815 0.172077 0.0290356 0 0 0
+533 1 0.120098 0.174691 0.0293928 0 0 0
+534 38 0.150444 0.0495928 0.0935321 0 0 0
+535 30 0.0506944 0.150161 0.0938087 0 0 0
+536 1 0.0772879 0.178232 0.0913957 0 0 0
+537 1 0.0168686 0.169094 0.0955139 0 0 0
+538 30 0.0501033 0.0503563 0.155483 0 0 0
+539 1 0.0761024 0.0755333 0.164327 0 0 0
+540 1 0.0156293 0.0662744 0.160646 0 0 0
+541 38 0.150047 0.151227 0.156789 0 0 0
+542 30 0.149811 0.0506212 0.217947 0 0 0
+543 1 0.181574 0.0677322 0.22697 0 0 0
+544 1 0.120187 0.0706352 0.227467 0 0 0
+545 30 0.050552 0.150524 0.21798 0 0 0
+546 1 0.0773039 0.175351 0.226321 0 0 0
+547 1 0.0165853 0.167864 0.222644 0 0 0
+548 30 0.0502851 0.0501935 0.280767 0 0 0
+549 1 0.0792274 0.0748708 0.285746 0 0 0
+550 1 0.0179261 0.070747 0.284746 0 0 0
+551 30 0.149977 0.15021 0.280627 0 0 0
+552 1 0.180572 0.172403 0.28627 0 0 0
+553 1 0.119122 0.172487 0.285541 0 0 0
+554 30 0.149713 0.0500101 0.343107 0 0 0
+555 1 0.181364 0.0710324 0.348198 0 0 0
+556 1 0.119999 0.0741402 0.347296 0 0 0
+557 30 0.050031 0.150091 0.343375 0 0 0
+558 1 0.0801493 0.173202 0.34856 0 0 0
+559 1 0.0188558 0.172981 0.345732 0 0 0
+560 30 0.0497909 0.0500393 0.40602 0 0 0
+561 1 0.0811128 0.0726829 0.408543 0 0 0
+562 1 0.0197096 0.0745467 0.407361 0 0 0
+563 30 0.149353 0.0501406 0.468534 0 0 0
+564 1 0.183143 0.0688909 0.471089 0 0 0
+565 1 0.122359 0.0779277 0.470443 0 0 0
+566 30 0.0498155 0.150052 0.468852 0 0 0
+567 1 0.0815026 0.17225 0.466572 0 0 0
+568 1 0.0201552 0.175127 0.468055 0 0 0
+569 30 0.0495977 0.0501256 0.531506 0 0 0
+570 1 0.0829327 0.0698193 0.529431 0 0 0
+571 1 0.0219081 0.0770955 0.529006 0 0 0
+572 30 0.149406 0.150074 0.531492 0 0 0
+573 1 0.182338 0.170281 0.528898 0 0 0
+574 1 0.121213 0.176626 0.52949 0 0 0
+575 30 0.149618 0.0503356 0.594315 0 0 0
+576 1 0.182302 0.0694367 0.588831 0 0 0
+577 1 0.121181 0.0757497 0.589658 0 0 0
+578 30 0.0497753 0.150093 0.594134 0 0 0
+579 1 0.0818945 0.171284 0.590746 0 0 0
+580 1 0.0205557 0.175151 0.590803 0 0 0
+581 30 0.049674 0.0501586 0.65678 0 0 0
+582 1 0.082333 0.06983 0.652081 0 0 0
+583 1 0.0211563 0.0756794 0.652563 0 0 0
+584 30 0.14989 0.150152 0.656747 0 0 0
+585 1 0.181519 0.171599 0.652338 0 0 0
+586 1 0.120115 0.174216 0.652578 0 0 0
+587 30 0.149743 0.0501675 0.719305 0 0 0
+588 1 0.181936 0.0708105 0.714994 0 0 0
+589 1 0.120603 0.0746681 0.714437 0 0 0
+590 30 0.0498624 0.150064 0.71919 0 0 0
+591 1 0.081546 0.171746 0.715434 0 0 0
+592 1 0.0201403 0.17434 0.715369 0 0 0
+593 30 0.0498273 0.0498908 0.781882 0 0 0
+594 1 0.0817631 0.0708342 0.777394 0 0 0
+595 1 0.0203938 0.0741809 0.7773 0 0 0
+596 30 0.149822 0.150034 0.78158 0 0 0
+597 1 0.18163 0.171951 0.77893 0 0 0
+598 1 0.120237 0.174779 0.778614 0 0 0
+599 30 0.149457 0.0499959 0.843964 0 0 0
+600 1 0.183083 0.0692637 0.842183 0 0 0
+601 1 0.122177 0.0774907 0.841997 0 0 0
+602 30 0.0498679 0.149958 0.843992 0 0 0
+603 1 0.0819142 0.171715 0.84204 0 0 0
+604 1 0.0205559 0.175163 0.841523 0 0 0
+605 30 0.0498549 0.0497842 0.906057 0 0 0
+606 1 0.0818096 0.0718821 0.906568 0 0 0
+607 1 0.0204366 0.0751517 0.906728 0 0 0
+608 30 0.149789 0.150001 0.906349 0 0 0
+609 1 0.181905 0.171832 0.905441 0 0 0
+610 1 0.120558 0.175571 0.905503 0 0 0
+611 30 0.149694 0.0500816 0.968878 0 0 0
+612 1 0.182367 0.0709974 0.967467 0 0 0
+613 1 0.121145 0.0763858 0.967771 0 0 0
+614 30 0.0499231 0.150021 0.968747 0 0 0
+615 1 0.0815837 0.172546 0.968393 0 0 0
+616 1 0.0201981 0.175024 0.969489 0 0 0
+617 30 0.0499451 0.250009 0.0311159 0 0 0
+618 1 0.0806396 0.273802 0.0319693 0 0 0
+619 1 0.0192332 0.273493 0.0335701 0 0 0
+620 30 0.150066 0.349996 0.0313007 0 0 0
+621 1 0.179919 0.374796 0.0300687 0 0 0
+622 1 0.118533 0.372705 0.0314377 0 0 0
+623 30 0.149937 0.249723 0.093869 0 0 0
+624 1 0.180209 0.274072 0.0932845 0 0 0
+625 1 0.118775 0.272935 0.0941727 0 0 0
+626 30 0.0503647 0.350029 0.0934392 0 0 0
+627 1 0.0782413 0.376879 0.0956111 0 0 0
+628 1 0.0172601 0.369557 0.0970208 0 0 0
+629 30 0.0503845 0.249967 0.155737 0 0 0
+630 1 0.0779949 0.276513 0.159837 0 0 0
+631 1 0.01723 0.267812 0.161745 0 0 0
+632 30 0.149859 0.349729 0.155904 0 0 0
+633 1 0.177228 0.376865 0.159006 0 0 0
+634 1 0.116308 0.368731 0.158926 0 0 0
+635 30 0.149994 0.249998 0.21806 0 0 0
+636 1 0.17956 0.273589 0.22363 0 0 0
+637 1 0.118169 0.270799 0.223083 0 0 0
+638 30 0.0506551 0.350179 0.218162 0 0 0
+639 1 0.0768075 0.375872 0.226215 0 0 0
+640 1 0.0162959 0.367027 0.222387 0 0 0
+641 30 0.0501244 0.250096 0.280995 0 0 0
+642 1 0.0787715 0.275895 0.284048 0 0 0
+643 1 0.017639 0.271418 0.28124 0 0 0
+644 30 0.0495727 0.350058 0.468998 0 0 0
+645 1 0.0820717 0.371237 0.467549 0 0 0
+646 1 0.020801 0.376063 0.467462 0 0 0
+647 30 0.0498373 0.25005 0.531608 0 0 0
+648 1 0.0811489 0.272196 0.527694 0 0 0
+649 1 0.0197279 0.274078 0.528412 0 0 0
+650 30 0.149944 0.250127 0.594077 0 0 0
+651 1 0.181589 0.272071 0.59082 0 0 0
+652 1 0.120191 0.274724 0.591297 0 0 0
+653 30 0.0499648 0.350116 0.594201 0 0 0
+654 1 0.0812579 0.371963 0.58963 0 0 0
+655 1 0.0198283 0.373758 0.590108 0 0 0
+656 30 0.0498939 0.250085 0.656668 0 0 0
+657 1 0.0814017 0.272015 0.652896 0 0 0
+658 1 0.0199774 0.274128 0.652864 0 0 0
+659 30 0.149846 0.350147 0.656774 0 0 0
+660 1 0.180756 0.372293 0.651766 0 0 0
+661 1 0.119299 0.372901 0.651963 0 0 0
+662 30 0.149838 0.25 0.719134 0 0 0
+663 1 0.181091 0.272447 0.715742 0 0 0
+664 1 0.119647 0.273898 0.715855 0 0 0
+665 30 0.0498161 0.350017 0.719117 0 0 0
+666 1 0.0814862 0.372033 0.716159 0 0 0
+667 1 0.0200789 0.374343 0.71547 0 0 0
+668 30 0.0498899 0.25003 0.781563 0 0 0
+669 1 0.0816945 0.272034 0.77919 0 0 0
+670 1 0.0203016 0.274789 0.778656 0 0 0
+671 30 0.149945 0.349984 0.781295 0 0 0
+672 1 0.18143 0.372751 0.781726 0 0 0
+673 1 0.120006 0.374757 0.781302 0 0 0
+674 30 0.149818 0.25002 0.843925 0 0 0
+675 1 0.181143 0.272878 0.842354 0 0 0
+676 1 0.119704 0.274466 0.842442 0 0 0
+677 30 0.0498531 0.35003 0.843836 0 0 0
+678 1 0.0822885 0.371405 0.84317 0 0 0
+679 1 0.021007 0.376063 0.843505 0 0 0
+680 30 0.0497845 0.250059 0.90629 0 0 0
+681 1 0.0822701 0.271371 0.90582 0 0 0
+682 1 0.021001 0.276166 0.906265 0 0 0
+683 30 0.149916 0.350022 0.906408 0 0 0
+684 1 0.180675 0.373421 0.903874 0 0 0
+685 1 0.119255 0.373825 0.905251 0 0 0
+686 30 0.149893 0.25001 0.968813 0 0 0
+687 1 0.181212 0.272992 0.968167 0 0 0
+688 1 0.119776 0.274565 0.968619 0 0 0
+689 30 0.0499357 0.349988 0.968631 0 0 0
+690 1 0.0810305 0.373286 0.96904 0 0 0
+691 1 0.0196069 0.374143 0.97026 0 0 0
+692 30 0.0501653 0.449963 0.0310845 0 0 0
+693 1 0.0799466 0.4749 0.031801 0 0 0
+694 1 0.0185629 0.472388 0.0329079 0 0 0
+695 30 0.150153 0.549978 0.0312098 0 0 0
+696 1 0.180884 0.573727 0.0320168 0 0 0
+697 1 0.119424 0.573712 0.032211 0 0 0
+698 30 0.150524 0.450219 0.0939714 0 0 0
+699 1 0.176452 0.478492 0.0900932 0 0 0
+700 1 0.116163 0.468368 0.0940543 0 0 0
+701 30 0.0505909 0.549847 0.093302 0 0 0
+702 1 0.0813005 0.572756 0.0973607 0 0 0
+703 1 0.0198498 0.572392 0.0980121 0 0 0
+704 30 0.0505586 0.450297 0.155686 0 0 0
+705 1 0.0764593 0.477843 0.161293 0 0 0
+706 1 0.0161663 0.465921 0.161386 0 0 0
+707 30 0.14986 0.550133 0.406445 0 0 0
+708 1 0.181666 0.572352 0.405079 0 0 0
+709 1 0.12028 0.575097 0.404289 0 0 0
+710 30 0.0495654 0.550159 0.469346 0 0 0
+711 1 0.0828211 0.568592 0.464331 0 0 0
+712 1 0.0218062 0.575958 0.463972 0 0 0
+713 30 0.0496706 0.450148 0.531712 0 0 0
+714 1 0.0822292 0.469979 0.527003 0 0 0
+715 1 0.0210217 0.475504 0.527453 0 0 0
+716 30 0.149862 0.550192 0.531922 0 0 0
+717 1 0.181536 0.57097 0.526503 0 0 0
+718 1 0.120127 0.573181 0.525754 0 0 0
+719 30 0.149796 0.450067 0.594373 0 0 0
+720 1 0.181652 0.471046 0.589728 0 0 0
+721 1 0.120265 0.473799 0.588966 0 0 0
+722 30 0.0498054 0.550007 0.594191 0 0 0
+723 1 0.081832 0.571318 0.590756 0 0 0
+724 1 0.02047 0.57464 0.590105 0 0 0
+725 30 0.0498613 0.450074 0.656702 0 0 0
+726 1 0.0813981 0.472121 0.65331 0 0 0
+727 1 0.0199787 0.47401 0.652547 0 0 0
+728 30 0.0497173 0.450048 0.78134 0 0 0
+729 1 0.082316 0.471152 0.780447 0 0 0
+730 1 0.0210691 0.476272 0.780525 0 0 0
+731 30 0.149616 0.449967 0.843717 0 0 0
+732 1 0.183893 0.468198 0.844767 0 0 0
+733 1 0.123314 0.478552 0.84439 0 0 0
+734 30 0.0497979 0.549937 0.84378 0 0 0
+735 1 0.082438 0.570993 0.84305 0 0 0
+736 1 0.0212138 0.576262 0.843744 0 0 0
+737 30 0.0498693 0.449977 0.906245 0 0 0
+738 1 0.0819588 0.471877 0.90571 0 0 0
+739 1 0.0206304 0.475562 0.906728 0 0 0
+740 30 0.149601 0.550009 0.906499 0 0 0
+741 1 0.182733 0.569741 0.903503 0 0 0
+742 1 0.121744 0.576985 0.904923 0 0 0
+743 30 0.150085 0.450016 0.968905 0 0 0
+744 1 0.180484 0.473946 0.966618 0 0 0
+745 1 0.119061 0.473363 0.967912 0 0 0
+746 30 0.0499355 0.549948 0.968763 0 0 0
+747 1 0.0815263 0.572572 0.968436 0 0 0
+748 1 0.0201091 0.574857 0.968648 0 0 0
+749 30 0.0496036 0.650099 0.0312232 0 0 0
+750 1 0.0832228 0.66931 0.0332762 0 0 0
+751 1 0.0225157 0.677948 0.030666 0 0 0
+752 30 0.149774 0.750064 0.0307681 0 0 0
+753 1 0.18315 0.768504 0.0354495 0 0 0
+754 1 0.122175 0.776194 0.0358306 0 0 0
+755 30 0.149608 0.650185 0.0930665 0 0 0
+756 1 0.182575 0.668699 0.0986746 0 0 0
+757 1 0.12144 0.674843 0.0995803 0 0 0
+758 30 0.0496496 0.750243 0.0928619 0 0 0
+759 1 0.0826335 0.76678 0.100483 0 0 0
+760 1 0.0215592 0.773571 0.101174 0 0 0
+761 30 0.0497559 0.750026 0.34412 0 0 0
+762 1 0.0814382 0.772134 0.341504 0 0 0
+763 1 0.0200316 0.77452 0.340899 0 0 0
+764 30 0.0499011 0.650123 0.406809 0 0 0
+765 1 0.0813971 0.671699 0.402277 0 0 0
+766 1 0.0199729 0.673408 0.401498 0 0 0
+767 30 0.149818 0.750025 0.406645 0 0 0
+768 1 0.181609 0.772041 0.404244 0 0 0
+769 1 0.12022 0.774654 0.40337 0 0 0
+770 30 0.149568 0.650127 0.469225 0 0 0
+771 1 0.182653 0.66987 0.46606 0 0 0
+772 1 0.121543 0.676091 0.464782 0 0 0
+773 30 0.0497507 0.75006 0.469146 0 0 0
+774 1 0.0821927 0.771195 0.467082 0 0 0
+775 1 0.0209446 0.775392 0.465262 0 0 0
+776 30 0.0497719 0.650177 0.531807 0 0 0
+777 1 0.0824001 0.670231 0.527692 0 0 0
+778 1 0.0211602 0.675021 0.526421 0 0 0
+779 30 0.149512 0.649963 0.844044 0 0 0
+780 1 0.183333 0.668762 0.841808 0 0 0
+781 1 0.122517 0.67763 0.841553 0 0 0
+782 30 0.0497807 0.749872 0.843706 0 0 0
+783 1 0.0823297 0.770927 0.845401 0 0 0
+784 1 0.0210696 0.775862 0.845712 0 0 0
+785 30 0.0498239 0.649878 0.90631 0 0 0
+786 1 0.0821924 0.671364 0.905785 0 0 0
+787 1 0.0208925 0.675806 0.905745 0 0 0
+788 30 0.149693 0.749974 0.906198 0 0 0
+789 1 0.183419 0.769248 0.90685 0 0 0
+790 1 0.122551 0.777734 0.907237 0 0 0
+791 30 0.149853 0.649942 0.968729 0 0 0
+792 1 0.182495 0.671016 0.969134 0 0 0
+793 1 0.121258 0.676233 0.969407 0 0 0
+794 30 0.050104 0.749745 0.968508 0 0 0
+795 1 0.0835577 0.769106 0.971014 0 0 0
+796 1 0.0225843 0.776816 0.971295 0 0 0
+797 30 0.0493456 0.850367 0.030452 0 0 0
+798 1 0.0838583 0.866339 0.0354464 0 0 0
+799 1 0.0234052 0.875995 0.0388455 0 0 0
+800 30 0.149582 0.950152 0.0314383 0 0 0
+801 1 0.183033 0.969132 0.0279624 0 0 0
+802 1 0.122072 0.97694 0.027705 0 0 0
+803 30 0.149471 0.850031 0.0929946 0 0 0
+804 1 0.183595 0.866119 0.0988183 0 0 0
+805 1 0.123019 0.876416 0.0996743 0 0 0
+806 30 0.0494518 0.949804 0.0932266 0 0 0
+807 1 0.0803372 0.972549 0.0971226 0 0 0
+808 1 0.0188806 0.972782 0.0975351 0 0 0
+809 30 0.0495087 0.850217 0.155418 0 0 0
+810 1 0.082443 0.868366 0.161543 0 0 0
+811 1 0.021307 0.874539 0.162356 0 0 0
+812 30 0.149489 0.950558 0.155448 0 0 0
+813 1 0.183029 0.96564 0.163298 0 0 0
+814 1 0.122193 0.9742 0.164421 0 0 0
+815 30 0.150014 0.850242 0.219027 0 0 0
+816 1 0.181597 0.871928 0.214962 0 0 0
+817 1 0.120203 0.874571 0.21563 0 0 0
+818 30 0.0502709 0.950294 0.218562 0 0 0
+819 1 0.0785241 0.976943 0.219368 0 0 0
+820 1 0.0175446 0.970517 0.221991 0 0 0
+821 30 0.0493513 0.849778 0.281245 0 0 0
+822 1 0.0801891 0.873386 0.282081 0 0 0
+823 1 0.0187293 0.873671 0.282007 0 0 0
+824 38 0.150378 0.949819 0.281565 0 0 0
+825 30 0.149946 0.850368 0.343275 0 0 0
+826 1 0.181674 0.869795 0.350292 0 0 0
+827 1 0.120315 0.873241 0.349798 0 0 0
+828 30 0.0503144 0.950335 0.343232 0 0 0
+829 1 0.0787127 0.974448 0.350141 0 0 0
+830 1 0.0176983 0.970968 0.346065 0 0 0
+831 30 0.0498719 0.850059 0.406301 0 0 0
+832 1 0.082134 0.871599 0.40774 0 0 0
+833 1 0.0209148 0.875956 0.405702 0 0 0
+834 30 0.149521 0.950151 0.405621 0 0 0
+835 1 0.183243 0.966792 0.411747 0 0 0
+836 1 0.122672 0.977063 0.410657 0 0 0
+837 30 0.0493775 0.950024 0.468638 0 0 0
+838 1 0.0836231 0.968294 0.469816 0 0 0
+839 1 0.0230648 0.97862 0.468654 0 0 0
+840 30 0.149737 0.950072 0.531359 0 0 0
+841 1 0.182324 0.970992 0.529334 0 0 0
+842 1 0.121095 0.976234 0.52992 0 0 0
+843 30 0.0490617 0.950396 0.59438 0 0 0
+844 1 0.0844891 0.964107 0.589263 0 0 0
+845 1 0.0250936 0.979904 0.589344 0 0 0
+846 30 0.0493256 0.850377 0.657016 0 0 0
+847 1 0.0837096 0.863564 0.649262 0 0 0
+848 1 0.0240175 0.878037 0.650627 0 0 0
+849 30 0.149568 0.950493 0.657159 0 0 0
+850 1 0.182162 0.967888 0.649629 0 0 0
+851 1 0.121 0.973934 0.649646 0 0 0
+852 30 0.149465 0.850828 0.719679 0 0 0
+853 1 0.183989 0.865748 0.71357 0 0 0
+854 1 0.123553 0.874285 0.709064 0 0 0
+855 30 0.0496674 0.95026 0.719683 0 0 0
+856 1 0.0824107 0.967716 0.712468 0 0 0
+857 1 0.0213399 0.974583 0.712951 0 0 0
+858 38 0.0509381 0.849457 0.780256 0 0 0
+859 30 0.14883 0.950595 0.782046 0 0 0
+860 1 0.185038 0.962516 0.777328 0 0 0
+861 1 0.126163 0.979093 0.773564 0 0 0
+862 30 0.149638 0.85002 0.843808 0 0 0
+863 1 0.185548 0.864572 0.841957 0 0 0
+864 1 0.126583 0.881252 0.84491 0 0 0
+865 38 0.0504799 0.951282 0.843713 0 0 0
+866 30 0.0494864 0.850415 0.905887 0 0 0
+867 1 0.0832835 0.8673 0.911574 0 0 0
+868 1 0.022937 0.8783 0.909177 0 0 0
+869 30 0.149197 0.950292 0.9059 0 0 0
+870 1 0.184549 0.966321 0.90705 0 0 0
+871 1 0.124791 0.979683 0.910346 0 0 0
+872 30 0.149507 0.850113 0.968406 0 0 0
+873 1 0.183899 0.867675 0.971122 0 0 0
+874 1 0.123386 0.87838 0.971759 0 0 0
+875 30 0.0495969 0.950048 0.968415 0 0 0
+876 1 0.0825307 0.970443 0.97034 0 0 0
+877 1 0.0213728 0.976405 0.971124 0 0 0
+878 30 0.249241 0.050352 0.0315107 0 0 0
+879 1 0.284282 0.0671112 0.030792 0 0 0
+880 1 0.224364 0.0792634 0.0268587 0 0 0
+881 30 0.349799 0.150083 0.0312155 0 0 0
+882 1 0.381725 0.17223 0.0315806 0 0 0
+883 1 0.320356 0.175442 0.0309772 0 0 0
+884 30 0.349652 0.0502652 0.0933557 0 0 0
+885 1 0.383054 0.0694572 0.0965487 0 0 0
+886 1 0.322112 0.077364 0.0959516 0 0 0
+887 30 0.24911 0.150254 0.0939495 0 0 0
+888 1 0.284224 0.166897 0.0937395 0 0 0
+889 1 0.224328 0.17968 0.0905239 0 0 0
+890 30 0.249241 0.0504492 0.155585 0 0 0
+891 1 0.285955 0.0614972 0.159543 0 0 0
+892 1 0.227755 0.0800279 0.163818 0 0 0
+893 30 0.349649 0.150211 0.155927 0 0 0
+894 1 0.382678 0.170219 0.158642 0 0 0
+895 1 0.321554 0.176632 0.158904 0 0 0
+896 30 0.34968 0.0501671 0.218484 0 0 0
+897 1 0.382799 0.0700255 0.221202 0 0 0
+898 1 0.321698 0.0765849 0.221861 0 0 0
+899 30 0.249301 0.150516 0.21798 0 0 0
+900 1 0.283641 0.166839 0.222994 0 0 0
+901 1 0.223091 0.175752 0.22651 0 0 0
+902 30 0.249427 0.0501803 0.280793 0 0 0
+903 1 0.283258 0.068405 0.284408 0 0 0
+904 1 0.222452 0.0772812 0.285123 0 0 0
+905 30 0.349712 0.150179 0.2808 0 0 0
+906 1 0.381908 0.171174 0.284375 0 0 0
+907 1 0.320575 0.17492 0.285178 0 0 0
+908 30 0.349572 0.0502578 0.343049 0 0 0
+909 1 0.383192 0.0675877 0.348619 0 0 0
+910 1 0.322323 0.0759883 0.34947 0 0 0
+911 30 0.249452 0.0504595 0.405537 0 0 0
+912 1 0.283387 0.0669262 0.411379 0 0 0
+913 1 0.222834 0.077424 0.410931 0 0 0
+914 30 0.349797 0.1502 0.405652 0 0 0
+915 1 0.380446 0.172339 0.411264 0 0 0
+916 1 0.319064 0.173214 0.409399 0 0 0
+917 30 0.350195 0.0506437 0.594926 0 0 0
+918 1 0.37919 0.070888 0.584857 0 0 0
+919 1 0.317975 0.0654026 0.584963 0 0 0
+920 30 0.249931 0.150171 0.594404 0 0 0
+921 1 0.280957 0.171395 0.588248 0 0 0
+922 1 0.21964 0.173673 0.590443 0 0 0
+923 30 0.250063 0.050212 0.656943 0 0 0
+924 1 0.27973 0.073367 0.65089 0 0 0
+925 1 0.218331 0.0706558 0.651172 0 0 0
+926 30 0.349953 0.0499307 0.718723 0 0 0
+927 1 0.380881 0.0734551 0.71847 0 0 0
+928 1 0.319426 0.0739513 0.718032 0 0 0
+929 30 0.249963 0.150078 0.719165 0 0 0
+930 1 0.28016 0.173652 0.715089 0 0 0
+931 1 0.218714 0.172323 0.715272 0 0 0
+932 30 0.249753 0.0501093 0.781527 0 0 0
+933 1 0.281941 0.0716606 0.779592 0 0 0
+934 1 0.220611 0.0754169 0.778704 0 0 0
+935 30 0.349883 0.150029 0.78135 0 0 0
+936 1 0.380316 0.174151 0.780461 0 0 0
+937 1 0.31886 0.173397 0.780539 0 0 0
+938 30 0.349856 0.0500571 0.843887 0 0 0
+939 1 0.381432 0.0726531 0.842896 0 0 0
+940 1 0.320012 0.0748677 0.842659 0 0 0
+941 30 0.249851 0.150026 0.843906 0 0 0
+942 1 0.28143 0.172592 0.842718 0 0 0
+943 1 0.220011 0.1748 0.842383 0 0 0
+944 30 0.24968 0.0500527 0.906312 0 0 0
+945 1 0.282409 0.0709842 0.905742 0 0 0
+946 1 0.221193 0.0764591 0.905614 0 0 0
+947 30 0.34992 0.150048 0.9063 0 0 0
+948 1 0.381062 0.173286 0.905985 0 0 0
+949 1 0.319612 0.174351 0.905704 0 0 0
+950 30 0.349808 0.0500849 0.968667 0 0 0
+951 1 0.381746 0.0721964 0.969333 0 0 0
+952 1 0.320377 0.0754589 0.968842 0 0 0
+953 30 0.249768 0.150051 0.968859 0 0 0
+954 1 0.28184 0.171962 0.968121 0 0 0
+955 1 0.220486 0.175537 0.967748 0 0 0
+956 30 0.249825 0.25 0.0313709 0 0 0
+957 1 0.281232 0.272821 0.0303189 0 0 0
+958 1 0.219798 0.274602 0.0302561 0 0 0
+959 30 0.34992 0.350049 0.0314358 0 0 0
+960 1 0.380285 0.37423 0.0302918 0 0 0
+961 1 0.318869 0.373091 0.0290141 0 0 0
+962 30 0.349772 0.249939 0.0936784 0 0 0
+963 1 0.381166 0.272815 0.0943549 0 0 0
+964 1 0.319736 0.274594 0.0938588 0 0 0
+965 30 0.249917 0.35015 0.0941664 0 0 0
+966 1 0.280026 0.37328 0.0889892 0 0 0
+967 1 0.218586 0.371752 0.0892536 0 0 0
+968 30 0.249623 0.249879 0.155916 0 0 0
+969 1 0.281758 0.271253 0.158753 0 0 0
+970 1 0.220414 0.275024 0.15902 0 0 0
+971 30 0.350287 0.349866 0.155934 0 0 0
+972 1 0.381841 0.37233 0.157891 0 0 0
+973 1 0.320458 0.374122 0.159469 0 0 0
+974 30 0.349809 0.250102 0.218352 0 0 0
+975 1 0.381008 0.272609 0.221786 0 0 0
+976 1 0.319561 0.273691 0.222241 0 0 0
+977 30 0.250036 0.350896 0.217787 0 0 0
+978 1 0.280136 0.368624 0.228427 0 0 0
+979 1 0.21876 0.365502 0.228943 0 0 0
+980 30 0.249883 0.250221 0.280554 0 0 0
+981 1 0.280592 0.272098 0.286431 0 0 0
+982 1 0.219134 0.271829 0.286732 0 0 0
+983 30 0.249517 0.350292 0.594552 0 0 0
+984 1 0.282376 0.367388 0.587207 0 0 0
+985 1 0.221291 0.374172 0.587073 0 0 0
+986 30 0.249823 0.250229 0.656843 0 0 0
+987 1 0.281499 0.270973 0.651379 0 0 0
+988 1 0.220096 0.273632 0.651299 0 0 0
+989 30 0.249985 0.250125 0.781498 0 0 0
+990 1 0.280532 0.27389 0.779316 0 0 0
+991 1 0.219073 0.273448 0.779466 0 0 0
+992 30 0.350003 0.250147 0.843863 0 0 0
+993 1 0.38049 0.274123 0.842364 0 0 0
+994 1 0.319032 0.273507 0.842433 0 0 0
+995 30 0.249917 0.250057 0.906287 0 0 0
+996 1 0.281097 0.273244 0.905921 0 0 0
+997 1 0.219649 0.274426 0.906165 0 0 0
+998 30 0.350024 0.350041 0.906616 0 0 0
+999 1 0.38018 0.373857 0.902996 0 0 0
+1000 1 0.318763 0.371981 0.902129 0 0 0
+1001 30 0.349942 0.250035 0.968821 0 0 0
+1002 1 0.380884 0.273522 0.968172 0 0 0
+1003 1 0.319426 0.274057 0.967982 0 0 0
+1004 30 0.249976 0.350061 0.968819 0 0 0
+1005 1 0.280561 0.374005 0.96809 0 0 0
+1006 1 0.219104 0.373654 0.968446 0 0 0
+1007 30 0.250024 0.450103 0.0315722 0 0 0
+1008 1 0.279792 0.474752 0.0290426 0 0 0
+1009 1 0.218385 0.472214 0.028765 0 0 0
+1010 38 0.249884 0.451299 0.156682 0 0 0
+1011 30 0.249669 0.450315 0.531884 0 0 0
+1012 1 0.280928 0.471701 0.526448 0 0 0
+1013 1 0.219483 0.473063 0.526243 0 0 0
+1014 30 0.350003 0.450064 0.969011 0 0 0
+1015 1 0.379509 0.475161 0.967072 0 0 0
+1016 1 0.318163 0.471819 0.966013 0 0 0
+1017 30 0.250071 0.549937 0.969081 0 0 0
+1018 1 0.279963 0.574437 0.966558 0 0 0
+1019 1 0.21854 0.572395 0.966959 0 0 0
+1020 30 0.249827 0.649985 0.0310473 0 0 0
+1021 1 0.281338 0.67245 0.0332542 0 0 0
+1022 1 0.219915 0.674584 0.0330471 0 0 0
+1023 30 0.249933 0.750033 0.344012 0 0 0
+1024 1 0.281164 0.772989 0.342273 0 0 0
+1025 1 0.219728 0.774141 0.341472 0 0 0
+1026 30 0.24975 0.65001 0.406524 0 0 0
+1027 1 0.281537 0.672196 0.404821 0 0 0
+1028 1 0.220188 0.674622 0.403073 0 0 0
+1029 30 0.249619 0.750059 0.843901 0 0 0
+1030 1 0.283376 0.769274 0.843177 0 0 0
+1031 1 0.222523 0.777817 0.842456 0 0 0
+1032 30 0.249795 0.650051 0.906531 0 0 0
+1033 1 0.282203 0.671293 0.904696 0 0 0
+1034 1 0.220916 0.675914 0.904851 0 0 0
+1035 30 0.3498 0.749925 0.906228 0 0 0
+1036 1 0.382265 0.771256 0.906882 0 0 0
+1037 1 0.32099 0.775999 0.906544 0 0 0
+1038 30 0.249607 0.750011 0.968538 0 0 0
+1039 1 0.283182 0.769192 0.97095 0 0 0
+1040 1 0.222263 0.777325 0.971062 0 0 0
+1041 30 0.249454 0.850117 0.0305571 0 0 0
+1042 1 0.283574 0.86573 0.0368742 0 0 0
+1043 1 0.223286 0.877568 0.035853 0 0 0
+1044 30 0.34953 0.950185 0.0306191 0 0 0
+1045 1 0.382929 0.968471 0.0354689 0 0 0
+1046 1 0.322046 0.976815 0.0348405 0 0 0
+1047 30 0.249502 0.949963 0.0931967 0 0 0
+1048 1 0.285291 0.963331 0.0976403 0 0 0
+1049 1 0.226215 0.980287 0.0975387 0 0 0
+1050 30 0.249156 0.950277 0.218886 0 0 0
+1051 1 0.284742 0.965884 0.219135 0 0 0
+1052 1 0.225158 0.980783 0.217708 0 0 0
+1053 30 0.250329 0.849774 0.28117 0 0 0
+1054 1 0.282943 0.870819 0.282342 0 0 0
+1055 1 0.221699 0.875963 0.282501 0 0 0
+1056 30 0.349752 0.950091 0.280904 0 0 0
+1057 1 0.382762 0.969739 0.284568 0 0 0
+1058 1 0.321648 0.976255 0.284639 0 0 0
+1059 30 0.249188 0.950606 0.342838 0 0 0
+1060 1 0.284341 0.963082 0.349648 0 0 0
+1061 1 0.224499 0.976335 0.352491 0 0 0
+1062 38 0.350022 0.949571 0.655789 0 0 0
+1063 30 0.249848 0.95018 0.718922 0 0 0
+1064 1 0.280896 0.973523 0.719609 0 0 0
+1065 1 0.219836 0.974157 0.715248 0 0 0
+1066 30 0.349797 0.950155 0.781481 0 0 0
+1067 1 0.381798 0.972063 0.779943 0 0 0
+1068 1 0.320433 0.975412 0.779517 0 0 0
+1069 30 0.349553 0.850055 0.844012 0 0 0
+1070 1 0.382757 0.869833 0.841482 0 0 0
+1071 1 0.321691 0.876773 0.841224 0 0 0
+1072 30 0.249516 0.950101 0.844053 0 0 0
+1073 1 0.283537 0.968529 0.841789 0 0 0
+1074 1 0.22282 0.978054 0.841551 0 0 0
+1075 30 0.249604 0.850024 0.906159 0 0 0
+1076 1 0.283531 0.868947 0.90677 0 0 0
+1077 1 0.222755 0.878064 0.907237 0 0 0
+1078 30 0.349765 0.950029 0.90623 0 0 0
+1079 1 0.382074 0.971621 0.906362 0 0 0
+1080 1 0.320762 0.975892 0.906235 0 0 0
+1081 30 0.349599 0.850043 0.968321 0 0 0
+1082 1 0.382628 0.869576 0.972157 0 0 0
+1083 1 0.321527 0.876214 0.972129 0 0 0
+1084 30 0.249574 0.950064 0.968581 0 0 0
+1085 1 0.283205 0.969413 0.96994 0 0 0
+1086 1 0.22232 0.97774 0.969287 0 0 0
+1087 30 0.450128 0.0502117 0.0309509 0 0 0
+1088 1 0.479727 0.0751054 0.0333155 0 0 0
+1089 1 0.418332 0.0722864 0.033098 0 0 0
+1090 30 0.550472 0.15008 0.0311386 0 0 0
+1091 1 0.578848 0.176578 0.0321722 0 0 0
+1092 1 0.51766 0.170891 0.0315261 0 0 0
+1093 30 0.550653 0.0506245 0.0929442 0 0 0
+1094 1 0.576227 0.0751347 0.10293 0 0 0
+1095 1 0.515944 0.0660915 0.0980276 0 0 0
+1096 30 0.449954 0.150057 0.0934841 0 0 0
+1097 1 0.480529 0.173748 0.0958236 0 0 0
+1098 1 0.419074 0.173454 0.0953657 0 0 0
+1099 30 0.450266 0.050228 0.155882 0 0 0
+1100 1 0.480409 0.0740851 0.159435 0 0 0
+1101 1 0.418967 0.0727019 0.159034 0 0 0
+1102 30 0.549688 0.150109 0.155916 0 0 0
+1103 1 0.58128 0.172469 0.158085 0 0 0
+1104 1 0.519862 0.174716 0.158338 0 0 0
+1105 30 0.550151 0.0500234 0.218367 0 0 0
+1106 1 0.580298 0.0741264 0.221184 0 0 0
+1107 1 0.518863 0.0724775 0.221612 0 0 0
+1108 30 0.449838 0.150088 0.218371 0 0 0
+1109 1 0.48072 0.173053 0.221738 0 0 0
+1110 1 0.419261 0.173432 0.221806 0 0 0
+1111 30 0.449885 0.0501306 0.28067 0 0 0
+1112 1 0.481436 0.0713245 0.285725 0 0 0
+1113 1 0.420023 0.073724 0.285581 0 0 0
+1114 30 0.549929 0.150217 0.280685 0 0 0
+1115 1 0.580173 0.173139 0.285913 0 0 0
+1116 1 0.518726 0.171827 0.285893 0 0 0
+1117 30 0.549988 0.0502698 0.343118 0 0 0
+1118 1 0.580475 0.0730638 0.348001 0 0 0
+1119 1 0.519021 0.0722875 0.348209 0 0 0
+1120 30 0.45001 0.150184 0.343255 0 0 0
+1121 1 0.4811 0.172525 0.347418 0 0 0
+1122 1 0.41965 0.17325 0.347945 0 0 0
+1123 30 0.449877 0.0501003 0.406011 0 0 0
+1124 1 0.481133 0.0730665 0.407497 0 0 0
+1125 1 0.419743 0.0740945 0.409219 0 0 0
+1126 30 0.550088 0.150137 0.406021 0 0 0
+1127 1 0.579946 0.174802 0.408014 0 0 0
+1128 1 0.518559 0.172324 0.409066 0 0 0
+1129 30 0.550229 0.0502809 0.469422 0 0 0
+1130 1 0.579035 0.0747872 0.46384 0 0 0
+1131 1 0.517766 0.0706722 0.465446 0 0 0
+1132 30 0.550165 0.0501375 0.594153 0 0 0
+1133 1 0.57977 0.0751023 0.592141 0 0 0
+1134 1 0.518496 0.0716811 0.590052 0 0 0
+1135 30 0.449946 0.0500865 0.656595 0 0 0
+1136 1 0.481403 0.0725304 0.654033 0 0 0
+1137 1 0.419975 0.0743006 0.653437 0 0 0
+1138 30 0.550147 0.0501096 0.719008 0 0 0
+1139 1 0.580066 0.0744949 0.716188 0 0 0
+1140 1 0.518642 0.0725727 0.716763 0 0 0
+1141 30 0.449988 0.150266 0.719242 0 0 0
+1142 1 0.480764 0.170811 0.711825 0 0 0
+1143 1 0.419482 0.173053 0.714391 0 0 0
+1144 30 0.450013 0.0500636 0.781405 0 0 0
+1145 1 0.480621 0.0738714 0.779818 0 0 0
+1146 1 0.419163 0.0736019 0.78011 0 0 0
+1147 30 0.550165 0.150003 0.781417 0 0 0
+1148 1 0.580724 0.173906 0.780031 0 0 0
+1149 1 0.519265 0.173476 0.780124 0 0 0
+1150 30 0.550169 0.0500532 0.843907 0 0 0
+1151 1 0.579696 0.0751967 0.842375 0 0 0
+1152 1 0.51831 0.0722243 0.842726 0 0 0
+1153 30 0.450022 0.15006 0.843729 0 0 0
+1154 1 0.480483 0.174175 0.844235 0 0 0
+1155 1 0.419027 0.173485 0.844244 0 0 0
+1156 30 0.450041 0.0500668 0.906284 0 0 0
+1157 1 0.480382 0.074332 0.905762 0 0 0
+1158 1 0.418931 0.0733496 0.906025 0 0 0
+1159 30 0.550166 0.150048 0.906337 0 0 0
+1160 1 0.579727 0.175242 0.905567 0 0 0
+1161 1 0.518338 0.172335 0.905962 0 0 0
+1162 30 0.55059 0.0503197 0.968985 0 0 0
+1163 1 0.576731 0.0783653 0.965023 0 0 0
+1164 1 0.516295 0.0685699 0.968388 0 0 0
+1165 30 0.450082 0.150066 0.968732 0 0 0
+1166 1 0.480299 0.1745 0.968806 0 0 0
+1167 1 0.418852 0.173191 0.968769 0 0 0
+1168 30 0.450056 0.25003 0.0312921 0 0 0
+1169 1 0.48083 0.273757 0.0311346 0 0 0
+1170 1 0.419385 0.273835 0.0302663 0 0 0
+1171 30 0.549977 0.350026 0.0309821 0 0 0
+1172 1 0.582081 0.371596 0.0333388 0 0 0
+1173 1 0.520747 0.375461 0.0328302 0 0 0
+1174 30 0.450017 0.250097 0.155976 0 0 0
+1175 1 0.480879 0.273414 0.158308 0 0 0
+1176 1 0.419421 0.273687 0.158587 0 0 0
+1177 30 0.449976 0.250241 0.280796 0 0 0
+1178 1 0.480821 0.273269 0.284124 0 0 0
+1179 1 0.419412 0.272932 0.285681 0 0 0
+1180 30 0.550131 0.250173 0.343413 0 0 0
+1181 1 0.580348 0.274328 0.34571 0 0 0
+1182 1 0.51892 0.272788 0.346507 0 0 0
+1183 30 0.449951 0.250219 0.405939 0 0 0
+1184 1 0.480162 0.274342 0.408395 0 0 0
+1185 1 0.418779 0.273401 0.406558 0 0 0
+1186 30 0.550363 0.250191 0.468626 0 0 0
+1187 1 0.579547 0.275796 0.469667 0 0 0
+1188 1 0.518206 0.271958 0.469565 0 0 0
+1189 30 0.550095 0.250045 0.843811 0 0 0
+1190 1 0.580897 0.273708 0.843069 0 0 0
+1191 1 0.519437 0.273879 0.842903 0 0 0
+1192 30 0.450027 0.250042 0.906195 0 0 0
+1193 1 0.480441 0.274198 0.906984 0 0 0
+1194 1 0.418989 0.273416 0.906581 0 0 0
+1195 30 0.550061 0.349962 0.906257 0 0 0
+1196 1 0.581202 0.373203 0.906511 0 0 0
+1197 1 0.519765 0.374281 0.905678 0 0 0
+1198 30 0.550104 0.250004 0.96869 0 0 0
+1199 1 0.580427 0.27426 0.969616 0 0 0
+1200 1 0.518981 0.273265 0.969073 0 0 0
+1201 30 0.449991 0.35005 0.968797 0 0 0
+1202 1 0.480775 0.373766 0.968748 0 0 0
+1203 1 0.41933 0.37388 0.967897 0 0 0
+1204 30 0.54991 0.450036 0.968629 0 0 0
+1205 1 0.58208 0.47172 0.970023 0 0 0
+1206 1 0.520753 0.475687 0.969508 0 0 0
+1207 30 0.549891 0.950071 0.0305863 0 0 0
+1208 1 0.577227 0.976284 0.0360252 0 0 0
+1209 1 0.51633 0.968021 0.035492 0 0 0
+1210 30 0.450164 0.950185 0.0932394 0 0 0
+1211 1 0.479966 0.973964 0.0979353 0 0 0
+1212 1 0.41856 0.971405 0.0981191 0 0 0
+1213 30 0.550388 0.950139 0.155941 0 0 0
+1214 1 0.577565 0.97713 0.160042 0 0 0
+1215 1 0.516685 0.968932 0.158809 0 0 0
+1216 30 0.550292 0.850004 0.218443 0 0 0
+1217 1 0.579104 0.875507 0.221841 0 0 0
+1218 1 0.51783 0.871043 0.220755 0 0 0
+1219 30 0.450168 0.950026 0.218615 0 0 0
+1220 1 0.480589 0.973978 0.220682 0 0 0
+1221 1 0.419152 0.973375 0.219682 0 0 0
+1222 30 0.449891 0.850023 0.281149 0 0 0
+1223 1 0.481712 0.872206 0.282603 0 0 0
+1224 1 0.420338 0.875232 0.281835 0 0 0
+1225 30 0.549843 0.95021 0.280626 0 0 0
+1226 1 0.580883 0.971365 0.286848 0 0 0
+1227 1 0.519447 0.972733 0.286177 0 0 0
+1228 30 0.550605 0.950203 0.531953 0 0 0
+1229 1 0.577847 0.975598 0.525018 0 0 0
+1230 1 0.517089 0.96633 0.524918 0 0 0
+1231 30 0.449682 0.950525 0.594575 0 0 0
+1232 1 0.481895 0.970314 0.588957 0 0 0
+1233 1 0.420731 0.971779 0.5853 0 0 0
+1234 30 0.550525 0.950174 0.656702 0 0 0
+1235 1 0.57859 0.976409 0.653049 0 0 0
+1236 1 0.517499 0.969689 0.652821 0 0 0
+1237 30 0.550493 0.849934 0.718855 0 0 0
+1238 1 0.57768 0.877652 0.717829 0 0 0
+1239 1 0.516801 0.869221 0.717789 0 0 0
+1240 30 0.450007 0.950205 0.718658 0 0 0
+1241 1 0.481333 0.973166 0.717874 0 0 0
+1242 1 0.420083 0.974737 0.720894 0 0 0
+1243 30 0.550488 0.950107 0.78142 0 0 0
+1244 1 0.578422 0.977004 0.779853 0 0 0
+1245 1 0.517336 0.97023 0.779873 0 0 0
+1246 30 0.550342 0.849896 0.843886 0 0 0
+1247 1 0.578735 0.876368 0.842776 0 0 0
+1248 1 0.517549 0.870604 0.842375 0 0 0
+1249 30 0.450021 0.95004 0.843996 0 0 0
+1250 1 0.480559 0.97389 0.842146 0 0 0
+1251 1 0.4191 0.97337 0.84205 0 0 0
+1252 30 0.44977 0.84996 0.906114 0 0 0
+1253 1 0.481361 0.872524 0.90719 0 0 0
+1254 1 0.419945 0.874835 0.906952 0 0 0
+1255 30 0.550223 0.950069 0.906287 0 0 0
+1256 1 0.57911 0.976009 0.905258 0 0 0
+1257 1 0.517824 0.971519 0.905954 0 0 0
+1258 30 0.550389 0.849992 0.968344 0 0 0
+1259 1 0.578446 0.876175 0.972165 0 0 0
+1260 1 0.517344 0.86954 0.972094 0 0 0
+1261 30 0.449972 0.95005 0.968379 0 0 0
+1262 1 0.480466 0.973799 0.970896 0 0 0
+1263 1 0.419012 0.973098 0.971196 0 0 0
+1264 38 0.649217 0.0499983 0.0314306 0 0 0
+1265 30 0.649935 0.150025 0.21857 0 0 0
+1266 1 0.681373 0.172698 0.220302 0 0 0
+1267 1 0.61994 0.174545 0.220463 0 0 0
+1268 30 0.650234 0.0500956 0.28067 0 0 0
+1269 1 0.679523 0.0747612 0.284812 0 0 0
+1270 1 0.618202 0.0707338 0.285434 0 0 0
+1271 30 0.7502 0.14999 0.281049 0 0 0
+1272 1 0.780547 0.174255 0.281443 0 0 0
+1273 1 0.719208 0.173036 0.283738 0 0 0
+1274 30 0.750572 0.0501235 0.343551 0 0 0
+1275 1 0.777995 0.0775345 0.34517 0 0 0
+1276 1 0.71707 0.0694941 0.345759 0 0 0
+1277 30 0.650152 0.150246 0.34332 0 0 0
+1278 1 0.68011 0.174238 0.347123 0 0 0
+1279 1 0.618696 0.171989 0.347646 0 0 0
+1280 30 0.650754 0.0502098 0.40635 0 0 0
+1281 1 0.677236 0.0786283 0.405663 0 0 0
+1282 1 0.616584 0.0687087 0.406027 0 0 0
+1283 30 0.750223 0.150053 0.406237 0 0 0
+1284 1 0.779828 0.175224 0.406438 0 0 0
+1285 1 0.718434 0.17239 0.406739 0 0 0
+1286 30 0.750615 0.0501 0.469214 0 0 0
+1287 1 0.777798 0.077332 0.465814 0 0 0
+1288 1 0.716962 0.0686042 0.465507 0 0 0
+1289 30 0.65019 0.150057 0.468915 0 0 0
+1290 1 0.679385 0.175659 0.467961 0 0 0
+1291 1 0.618045 0.171878 0.468418 0 0 0
+1292 30 0.650441 0.0502221 0.531988 0 0 0
+1293 1 0.678911 0.0747918 0.525868 0 0 0
+1294 1 0.617759 0.0686557 0.525671 0 0 0
+1295 30 0.750125 0.149984 0.531522 0 0 0
+1296 1 0.77986 0.174785 0.529464 0 0 0
+1297 1 0.718453 0.172355 0.529934 0 0 0
+1298 30 0.750531 0.049969 0.594132 0 0 0
+1299 1 0.778897 0.0760021 0.590841 0 0 0
+1300 1 0.717718 0.0701277 0.590882 0 0 0
+1301 30 0.65019 0.0502598 0.656485 0 0 0
+1302 1 0.679704 0.0753894 0.654766 0 0 0
+1303 1 0.618355 0.0720965 0.653708 0 0 0
+1304 30 0.750161 0.150021 0.656629 0 0 0
+1305 1 0.779911 0.17435 0.653036 0 0 0
+1306 1 0.718524 0.17154 0.652384 0 0 0
+1307 30 0.750228 0.0500178 0.718965 0 0 0
+1308 1 0.779383 0.075454 0.716704 0 0 0
+1309 1 0.71805 0.0714832 0.71663 0 0 0
+1310 30 0.650214 0.150056 0.719222 0 0 0
+1311 1 0.680214 0.174059 0.715579 0 0 0
+1312 1 0.618872 0.17138 0.713881 0 0 0
+1313 30 0.65023 0.0500444 0.781478 0 0 0
+1314 1 0.679358 0.0755009 0.779172 0 0 0
+1315 1 0.618026 0.0715383 0.779401 0 0 0
+1316 30 0.750159 0.150091 0.781636 0 0 0
+1317 1 0.779668 0.174529 0.777581 0 0 0
+1318 1 0.718286 0.171702 0.77838 0 0 0
+1319 30 0.750207 0.0500202 0.843999 0 0 0
+1320 1 0.779176 0.0755669 0.841327 0 0 0
+1321 1 0.717869 0.0712599 0.841724 0 0 0
+1322 30 0.650163 0.150064 0.843967 0 0 0
+1323 1 0.679417 0.175368 0.84163 0 0 0
+1324 1 0.618071 0.171841 0.842437 0 0 0
+1325 30 0.650222 0.0501107 0.906536 0 0 0
+1326 1 0.679022 0.0758754 0.90397 0 0 0
+1327 1 0.617746 0.0711461 0.904292 0 0 0
+1328 30 0.749819 0.14978 0.906391 0 0 0
+1329 1 0.778146 0.176343 0.905496 0 0 0
+1330 1 0.716967 0.170476 0.905398 0 0 0
+1331 30 0.74981 0.0502956 0.969142 0 0 0
+1332 1 0.781411 0.0726927 0.967185 0 0 0
+1333 1 0.720199 0.0739828 0.963832 0 0 0
+1334 30 0.650263 0.149899 0.9689 0 0 0
+1335 1 0.67894 0.176107 0.969477 0 0 0
+1336 1 0.6177 0.171101 0.968599 0 0 0
+1337 30 0.649873 0.250037 0.0309434 0 0 0
+1338 1 0.681498 0.271985 0.0342663 0 0 0
+1339 1 0.620109 0.274688 0.0334857 0 0 0
+1340 30 0.749749 0.350245 0.0306435 0 0 0
+1341 1 0.781436 0.371076 0.0359489 0 0 0
+1342 1 0.720082 0.374358 0.0349994 0 0 0
+1343 30 0.750002 0.250045 0.343572 0 0 0
+1344 1 0.78135 0.272961 0.344519 0 0 0
+1345 1 0.719921 0.274491 0.345291 0 0 0
+1346 30 0.649835 0.350041 0.343636 0 0 0
+1347 1 0.680966 0.373296 0.343877 0 0 0
+1348 1 0.61957 0.374225 0.345536 0 0 0
+1349 30 0.650173 0.249991 0.406091 0 0 0
+1350 1 0.680785 0.273852 0.407292 0 0 0
+1351 1 0.619328 0.273491 0.407673 0 0 0
+1352 30 0.750007 0.35001 0.406114 0 0 0
+1353 1 0.782018 0.371987 0.407097 0 0 0
+1354 1 0.720661 0.375326 0.407881 0 0 0
+1355 30 0.750096 0.25 0.468795 0 0 0
+1356 1 0.780602 0.274059 0.468283 0 0 0
+1357 1 0.719148 0.273501 0.468723 0 0 0
+1358 30 0.650047 0.350033 0.468692 0 0 0
+1359 1 0.681097 0.373379 0.469306 0 0 0
+1360 1 0.619642 0.374206 0.4694 0 0 0
+1361 30 0.650458 0.249904 0.531251 0 0 0
+1362 1 0.67964 0.275552 0.530717 0 0 0
+1363 1 0.618303 0.271723 0.531169 0 0 0
+1364 30 0.750054 0.349986 0.531279 0 0 0
+1365 1 0.781327 0.373034 0.530701 0 0 0
+1366 1 0.719909 0.374496 0.5318 0 0 0
+1367 30 0.750463 0.249921 0.593931 0 0 0
+1368 1 0.778918 0.276219 0.592077 0 0 0
+1369 1 0.717745 0.270886 0.593718 0 0 0
+1370 30 0.75043 0.350085 0.656658 0 0 0
+1371 1 0.779043 0.375578 0.652634 0 0 0
+1372 1 0.717807 0.370727 0.653879 0 0 0
+1373 30 0.750109 0.250102 0.719274 0 0 0
+1374 1 0.780394 0.2731 0.714274 0 0 0
+1375 1 0.718949 0.271751 0.714027 0 0 0
+1376 30 0.65007 0.250118 0.781496 0 0 0
+1377 1 0.680647 0.273814 0.779185 0 0 0
+1378 1 0.61919 0.273512 0.779591 0 0 0
+1379 30 0.749807 0.349834 0.781686 0 0 0
+1380 1 0.777945 0.375793 0.777519 0 0 0
+1381 1 0.716828 0.369309 0.777578 0 0 0
+1382 30 0.75048 0.250273 0.84424 0 0 0
+1383 1 0.777412 0.276875 0.838754 0 0 0
+1384 1 0.716645 0.268935 0.841665 0 0 0
+1385 30 0.650157 0.349998 0.844056 0 0 0
+1386 1 0.679994 0.374701 0.842123 0 0 0
+1387 1 0.618796 0.37157 0.839166 0 0 0
+1388 30 0.650235 0.250061 0.906261 0 0 0
+1389 1 0.679102 0.276075 0.906478 0 0 0
+1390 1 0.617814 0.271485 0.906224 0 0 0
+1391 30 0.750357 0.349988 0.906078 0 0 0
+1392 1 0.77901 0.376 0.908288 0 0 0
+1393 1 0.717769 0.371065 0.9073 0 0 0
+1394 30 0.750565 0.250357 0.968108 0 0 0
+1395 1 0.77731 0.275656 0.975883 0 0 0
+1396 1 0.716613 0.268164 0.972075 0 0 0
+1397 30 0.65006 0.350027 0.968523 0 0 0
+1398 1 0.680716 0.373568 0.971035 0 0 0
+1399 1 0.619269 0.373579 0.97021 0 0 0
+1400 30 0.649961 0.450021 0.0307568 0 0 0
+1401 1 0.681882 0.471126 0.0349838 0 0 0
+1402 1 0.620505 0.474276 0.035353 0 0 0
+1403 30 0.749979 0.550087 0.0306784 0 0 0
+1404 1 0.780728 0.572631 0.0353711 0 0 0
+1405 1 0.719276 0.572326 0.0360142 0 0 0
+1406 30 0.749869 0.449984 0.468672 0 0 0
+1407 1 0.781992 0.471846 0.468941 0 0 0
+1408 1 0.720661 0.475544 0.469872 0 0 0
+1409 30 0.750301 0.549997 0.531434 0 0 0
+1410 1 0.779967 0.574763 0.52888 0 0 0
+1411 1 0.718567 0.572206 0.529479 0 0 0
+1412 30 0.750208 0.449997 0.593896 0 0 0
+1413 1 0.779563 0.475275 0.591982 0 0 0
+1414 1 0.718215 0.472017 0.593087 0 0 0
+1415 30 0.650365 0.549933 0.593771 0 0 0
+1416 1 0.679166 0.576007 0.593215 0 0 0
+1417 1 0.61789 0.571271 0.593518 0 0 0
+1418 30 0.750492 0.549849 0.656418 0 0 0
+1419 1 0.77797 0.577239 0.655042 0 0 0
+1420 1 0.717003 0.569518 0.655589 0 0 0
+1421 30 0.750781 0.450314 0.719378 0 0 0
+1422 1 0.774922 0.478732 0.712538 0 0 0
+1423 1 0.715251 0.465112 0.716031 0 0 0
+1424 30 0.650794 0.55008 0.718856 0 0 0
+1425 1 0.677051 0.578675 0.717777 0 0 0
+1426 1 0.616499 0.56835 0.719057 0 0 0
+1427 30 0.750788 0.54992 0.781394 0 0 0
+1428 1 0.777176 0.578439 0.78098 0 0 0
+1429 1 0.716563 0.568282 0.780614 0 0 0
+1430 30 0.7506 0.450098 0.843606 0 0 0
+1431 1 0.777465 0.477678 0.846897 0 0 0
+1432 1 0.716978 0.469488 0.842407 0 0 0
+1433 30 0.650098 0.450011 0.906173 0 0 0
+1434 1 0.680984 0.473488 0.907569 0 0 0
+1435 1 0.619554 0.474031 0.906418 0 0 0
+1436 30 0.750014 0.549971 0.906155 0 0 0
+1437 1 0.780095 0.574534 0.907012 0 0 0
+1438 1 0.718668 0.572939 0.906228 0 0 0
+1439 30 0.750024 0.450029 0.96841 0 0 0
+1440 1 0.780623 0.473475 0.971479 0 0 0
+1441 1 0.719166 0.473267 0.971054 0 0 0
+1442 30 0.649902 0.550005 0.968627 0 0 0
+1443 1 0.681633 0.572391 0.969529 0 0 0
+1444 1 0.620233 0.575083 0.969237 0 0 0
+1445 30 0.750582 0.750103 0.0306955 0 0 0
+1446 1 0.77706 0.777246 0.0360109 0 0 0
+1447 1 0.716512 0.766694 0.0360742 0 0 0
+1448 30 0.750428 0.650245 0.0930256 0 0 0
+1449 1 0.778129 0.675484 0.099451 0 0 0
+1450 1 0.717141 0.667922 0.0989427 0 0 0
+1451 30 0.750519 0.750201 0.155553 0 0 0
+1452 1 0.77738 0.776165 0.162239 0 0 0
+1453 1 0.716603 0.767494 0.160425 0 0 0
+1454 30 0.650064 0.750019 0.218521 0 0 0
+1455 1 0.679833 0.77469 0.220962 0 0 0
+1456 1 0.618429 0.772448 0.220088 0 0 0
+1457 30 0.750656 0.750832 0.532354 0 0 0
+1458 1 0.77613 0.774085 0.521164 0 0 0
+1459 1 0.715935 0.762829 0.524433 0 0 0
+1460 30 0.749774 0.650446 0.594567 0 0 0
+1461 1 0.778099 0.671511 0.584411 0 0 0
+1462 1 0.716926 0.666306 0.586192 0 0 0
+1463 30 0.65094 0.750487 0.594493 0 0 0
+1464 1 0.673979 0.778731 0.586071 0 0 0
+1465 1 0.614876 0.763188 0.590154 0 0 0
+1466 30 0.650071 0.649909 0.656258 0 0 0
+1467 1 0.677502 0.677434 0.656167 0 0 0
+1468 1 0.616548 0.669563 0.656267 0 0 0
+1469 38 0.748753 0.750816 0.656473 0 0 0
+1470 30 0.750207 0.650408 0.718173 0 0 0
+1471 1 0.77893 0.67389 0.725399 0 0 0
+1472 1 0.717695 0.668662 0.725016 0 0 0
+1473 30 0.650821 0.750357 0.718228 0 0 0
+1474 1 0.674879 0.779407 0.724072 0 0 0
+1475 1 0.615263 0.765615 0.720474 0 0 0
+1476 30 0.7505 0.750089 0.781 0 0 0
+1477 1 0.777385 0.777993 0.78284 0 0 0
+1478 1 0.716607 0.768858 0.782886 0 0 0
+1479 30 0.750366 0.649983 0.843772 0 0 0
+1480 1 0.778305 0.676992 0.843612 0 0 0
+1481 1 0.71722 0.670244 0.843171 0 0 0
+1482 30 0.650344 0.750033 0.843908 0 0 0
+1483 1 0.67851 0.776779 0.843167 0 0 0
+1484 1 0.617384 0.770484 0.842436 0 0 0
+1485 30 0.65023 0.649917 0.906305 0 0 0
+1486 1 0.679742 0.675198 0.906244 0 0 0
+1487 1 0.618358 0.672149 0.906479 0 0 0
+1488 30 0.750259 0.749957 0.906204 0 0 0
+1489 1 0.777846 0.777325 0.90631 0 0 0
+1490 1 0.716853 0.769791 0.906723 0 0 0
+1491 30 0.750036 0.649976 0.968497 0 0 0
+1492 1 0.779285 0.6753 0.970777 0 0 0
+1493 1 0.717945 0.67149 0.971101 0 0 0
+1494 30 0.650368 0.749929 0.968409 0 0 0
+1495 1 0.677816 0.777181 0.970751 0 0 0
+1496 1 0.616878 0.769192 0.971021 0 0 0
+1497 30 0.750967 0.949778 0.0309356 0 0 0
+1498 1 0.778756 0.976732 0.0330452 0 0 0
+1499 1 0.717719 0.96954 0.0332832 0 0 0
+1500 30 0.750638 0.850068 0.0931374 0 0 0
+1501 1 0.776553 0.877519 0.0988966 0 0 0
+1502 1 0.716143 0.866339 0.0977928 0 0 0
+1503 30 0.650596 0.950781 0.0929321 0 0 0
+1504 1 0.676543 0.974933 0.102884 0 0 0
+1505 1 0.616246 0.963365 0.101125 0 0 0
+1506 30 0.650478 0.849981 0.15602 0 0 0
+1507 1 0.677742 0.877129 0.159429 0 0 0
+1508 1 0.616854 0.869305 0.157566 0 0 0
+1509 30 0.750252 0.950222 0.155665 0 0 0
+1510 1 0.778616 0.975593 0.160581 0 0 0
+1511 1 0.717474 0.969366 0.160862 0 0 0
+1512 30 0.749963 0.850201 0.218094 0 0 0
+1513 1 0.77986 0.872676 0.224683 0 0 0
+1514 1 0.718439 0.871022 0.223782 0 0 0
+1515 30 0.65013 0.950234 0.218057 0 0 0
+1516 1 0.67874 0.974315 0.224662 0 0 0
+1517 1 0.617506 0.969211 0.22384 0 0 0
+1518 30 0.750109 0.950381 0.280574 0 0 0
+1519 1 0.779516 0.973922 0.28654 0 0 0
+1520 1 0.718191 0.969941 0.287091 0 0 0
+1521 30 0.750771 0.950067 0.406713 0 0 0
+1522 1 0.775452 0.979487 0.402993 0 0 0
+1523 1 0.715552 0.965774 0.403717 0 0 0
+1524 30 0.750954 0.850338 0.469443 0 0 0
+1525 1 0.773851 0.880955 0.465094 0 0 0
+1526 1 0.716054 0.861045 0.461118 0 0 0
+1527 30 0.650549 0.850233 0.531998 0 0 0
+1528 1 0.676617 0.876979 0.52529 0 0 0
+1529 1 0.616152 0.866194 0.526688 0 0 0
+1530 30 0.750693 0.950507 0.53212 0 0 0
+1531 1 0.776321 0.976077 0.523292 0 0 0
+1532 1 0.716027 0.96485 0.525788 0 0 0
+1533 30 0.750188 0.849698 0.59444 0 0 0
+1534 1 0.775667 0.877628 0.58882 0 0 0
+1535 1 0.71546 0.865349 0.589635 0 0 0
+1536 30 0.650799 0.950151 0.594217 0 0 0
+1537 1 0.675979 0.979 0.590083 0 0 0
+1538 1 0.615911 0.965995 0.590172 0 0 0
+1539 30 0.650901 0.850038 0.656439 0 0 0
+1540 1 0.674821 0.880561 0.654871 0 0 0
+1541 1 0.615326 0.865198 0.654046 0 0 0
+1542 30 0.750668 0.950104 0.656141 0 0 0
+1543 1 0.776309 0.979067 0.658459 0 0 0
+1544 1 0.716102 0.967808 0.655283 0 0 0
+1545 30 0.750348 0.849853 0.718423 0 0 0
+1546 1 0.778115 0.876865 0.72035 0 0 0
+1547 1 0.717068 0.869796 0.719797 0 0 0
+1548 30 0.650422 0.95002 0.718894 0 0 0
+1549 1 0.678142 0.977173 0.717581 0 0 0
+1550 1 0.617122 0.969859 0.717167 0 0 0
+1551 30 0.650625 0.850077 0.781245 0 0 0
+1552 1 0.676841 0.878762 0.781217 0 0 0
+1553 1 0.616289 0.868257 0.780757 0 0 0
+1554 30 0.750303 0.950017 0.781364 0 0 0
+1555 1 0.778635 0.976515 0.779927 0 0 0
+1556 1 0.717453 0.97068 0.780123 0 0 0
+1557 30 0.750361 0.850015 0.843804 0 0 0
+1558 1 0.777852 0.877451 0.842999 0 0 0
+1559 1 0.71688 0.869725 0.843297 0 0 0
+1560 30 0.650318 0.950035 0.843886 0 0 0
+1561 1 0.678581 0.976608 0.84247 0 0 0
+1562 1 0.617415 0.970598 0.842529 0 0 0
+1563 30 0.650574 0.849996 0.906194 0 0 0
+1564 1 0.677232 0.87827 0.906321 0 0 0
+1565 1 0.616522 0.868707 0.906628 0 0 0
+1566 30 0.750337 0.950027 0.906355 0 0 0
+1567 1 0.778473 0.976777 0.905292 0 0 0
+1568 1 0.717344 0.970429 0.904911 0 0 0
+1569 30 0.750442 0.850005 0.968491 0 0 0
+1570 1 0.777238 0.877923 0.970719 0 0 0
+1571 1 0.716491 0.868582 0.97069 0 0 0
+1572 30 0.650367 0.95015 0.968979 0 0 0
+1573 1 0.67816 0.976335 0.964475 0 0 0
+1574 1 0.61711 0.969371 0.965301 0 0 0
+1575 30 0.850061 0.0500667 0.0310322 0 0 0
+1576 1 0.881567 0.0726515 0.0327325 0 0 0
+1577 1 0.820141 0.0746793 0.0329144 0 0 0
+1578 30 0.950044 0.150095 0.0310608 0 0 0
+1579 1 0.981206 0.173262 0.0320101 0 0 0
+1580 1 0.919805 0.17416 0.0336085 0 0 0
+1581 30 0.950163 0.0501394 0.0933056 0 0 0
+1582 1 0.979924 0.0745375 0.0966771 0 0 0
+1583 1 0.918577 0.0714815 0.0980223 0 0 0
+1584 30 0.950394 0.150469 0.155676 0 0 0
+1585 1 0.978681 0.17566 0.161101 0 0 0
+1586 1 0.917538 0.16942 0.160957 0 0 0
+1587 30 0.950222 0.0501902 0.218262 0 0 0
+1588 1 0.979578 0.0745486 0.222898 0 0 0
+1589 1 0.918214 0.0713899 0.222021 0 0 0
+1590 30 0.850167 0.0502058 0.280824 0 0 0
+1591 1 0.879668 0.0747449 0.284658 0 0 0
+1592 1 0.818285 0.0716793 0.28439 0 0 0
+1593 30 0.950185 0.150119 0.280936 0 0 0
+1594 1 0.980233 0.174241 0.284083 0 0 0
+1595 1 0.918846 0.172982 0.282374 0 0 0
+1596 30 0.950138 0.0500739 0.343572 0 0 0
+1597 1 0.979948 0.0747702 0.345694 0 0 0
+1598 1 0.918536 0.0725646 0.345048 0 0 0
+1599 30 0.850138 0.150108 0.343521 0 0 0
+1600 1 0.880338 0.174299 0.345761 0 0 0
+1601 1 0.818893 0.172929 0.345779 0 0 0
+1602 30 0.850216 0.0499682 0.406392 0 0 0
+1603 1 0.879516 0.0754697 0.405683 0 0 0
+1604 1 0.818162 0.0718782 0.405385 0 0 0
+1605 30 0.949937 0.149998 0.406204 0 0 0
+1606 1 0.980928 0.173417 0.406893 0 0 0
+1607 1 0.919475 0.174123 0.406471 0 0 0
+1608 30 0.949814 0.0500092 0.468948 0 0 0
+1609 1 0.981623 0.0722553 0.467798 0 0 0
+1610 1 0.920239 0.0750101 0.466931 0 0 0
+1611 30 0.850076 0.150002 0.468933 0 0 0
+1612 1 0.880507 0.174065 0.467525 0 0 0
+1613 1 0.819051 0.173293 0.467525 0 0 0
+1614 30 0.85002 0.0498928 0.531857 0 0 0
+1615 1 0.880611 0.0729526 0.52778 0 0 0
+1616 1 0.819155 0.0724058 0.52741 0 0 0
+1617 30 0.949857 0.150025 0.531532 0 0 0
+1618 1 0.98148 0.172276 0.529113 0 0 0
+1619 1 0.920066 0.17466 0.529058 0 0 0
+1620 30 0.949507 0.0500371 0.594139 0 0 0
+1621 1 0.982765 0.0693923 0.590751 0 0 0
+1622 1 0.921739 0.0766904 0.590794 0 0 0
+1623 30 0.849995 0.149967 0.594083 0 0 0
+1624 1 0.880507 0.173555 0.591102 0 0 0
+1625 1 0.819049 0.173031 0.591256 0 0 0
+1626 30 0.850009 0.0498073 0.656315 0 0 0
+1627 1 0.880631 0.0735485 0.654463 0 0 0
+1628 1 0.819172 0.073322 0.654754 0 0 0
+1629 30 0.949874 0.150038 0.656637 0 0 0
+1630 1 0.981332 0.172125 0.653067 0 0 0
+1631 1 0.919905 0.174154 0.65319 0 0 0
+1632 30 0.949933 0.0500442 0.719158 0 0 0
+1633 1 0.981157 0.0722685 0.715146 0 0 0
+1634 1 0.919733 0.0739508 0.715939 0 0 0
+1635 30 0.850048 0.150043 0.719138 0 0 0
+1636 1 0.880455 0.173494 0.715412 0 0 0
+1637 1 0.819 0.172667 0.715479 0 0 0
+1638 30 0.850184 0.0500343 0.781568 0 0 0
+1639 1 0.879713 0.074732 0.778251 0 0 0
+1640 1 0.818326 0.0718003 0.778677 0 0 0
+1641 30 0.949978 0.150053 0.781684 0 0 0
+1642 1 0.981185 0.172454 0.778015 0 0 0
+1643 1 0.91974 0.173498 0.777444 0 0 0
+1644 30 0.950308 0.049912 0.844 0 0 0
+1645 1 0.979794 0.0749566 0.841708 0 0 0
+1646 1 0.918419 0.0717322 0.841415 0 0 0
+1647 30 0.850095 0.150423 0.844465 0 0 0
+1648 1 0.880284 0.171598 0.836802 0 0 0
+1649 1 0.818843 0.170059 0.836865 0 0 0
+1650 30 0.850205 0.049868 0.906347 0 0 0
+1651 1 0.879707 0.0751375 0.905665 0 0 0
+1652 1 0.818332 0.0720115 0.905119 0 0 0
+1653 30 0.950312 0.149722 0.906299 0 0 0
+1654 1 0.982463 0.171539 0.905893 0 0 0
+1655 1 0.921121 0.175365 0.905869 0 0 0
+1656 30 0.950085 0.0499411 0.968587 0 0 0
+1657 1 0.980707 0.0737971 0.969727 0 0 0
+1658 1 0.919248 0.0734802 0.969996 0 0 0
+1659 30 0.849956 0.15035 0.968259 0 0 0
+1660 1 0.880835 0.172069 0.974016 0 0 0
+1661 1 0.819375 0.172388 0.974163 0 0 0
+1662 30 0.950198 0.35007 0.0307158 0 0 0
+1663 1 0.979906 0.374306 0.0346743 0 0 0
+1664 1 0.918561 0.371068 0.0358793 0 0 0
+1665 30 0.950291 0.350368 0.281293 0 0 0
+1666 1 0.980437 0.374748 0.282937 0 0 0
+1667 1 0.919029 0.373445 0.28158 0 0 0
+1668 30 0.949908 0.249959 0.34365 0 0 0
+1669 1 0.980876 0.273323 0.345075 0 0 0
+1670 1 0.919469 0.274115 0.343556 0 0 0
+1671 30 0.849873 0.35005 0.34395 0 0 0
+1672 1 0.882425 0.370842 0.341287 0 0 0
+1673 1 0.821203 0.376109 0.342067 0 0 0
+1674 30 0.850016 0.250012 0.406244 0 0 0
+1675 1 0.88134 0.273009 0.406112 0 0 0
+1676 1 0.819901 0.274571 0.406365 0 0 0
+1677 30 0.949599 0.35005 0.406299 0 0 0
+1678 1 0.982091 0.371327 0.405494 0 0 0
+1679 1 0.92082 0.376146 0.405709 0 0 0
+1680 30 0.949964 0.250013 0.468937 0 0 0
+1681 1 0.981547 0.272367 0.466695 0 0 0
+1682 1 0.920142 0.27479 0.467299 0 0 0
+1683 30 0.849924 0.35002 0.468872 0 0 0
+1684 1 0.881624 0.372376 0.467417 0 0 0
+1685 1 0.820232 0.375059 0.468105 0 0 0
+1686 30 0.850031 0.249997 0.531463 0 0 0
+1687 1 0.880765 0.273543 0.529379 0 0 0
+1688 1 0.819311 0.273663 0.529901 0 0 0
+1689 30 0.949925 0.350042 0.531559 0 0 0
+1690 1 0.981582 0.37206 0.528555 0 0 0
+1691 1 0.920182 0.374702 0.528956 0 0 0
+1692 30 0.949936 0.250052 0.594107 0 0 0
+1693 1 0.981123 0.272625 0.590802 0 0 0
+1694 1 0.919676 0.27391 0.590967 0 0 0
+1695 30 0.85003 0.350034 0.594058 0 0 0
+1696 1 0.880444 0.373719 0.590992 0 0 0
+1697 1 0.818996 0.373109 0.591675 0 0 0
+1698 30 0.850028 0.250065 0.656682 0 0 0
+1699 1 0.880257 0.273628 0.652675 0 0 0
+1700 1 0.81881 0.27232 0.652718 0 0 0
+1701 30 0.949936 0.350128 0.656734 0 0 0
+1702 1 0.981181 0.372221 0.652505 0 0 0
+1703 1 0.919735 0.373421 0.65208 0 0 0
+1704 30 0.949951 0.250061 0.719204 0 0 0
+1705 1 0.981231 0.272261 0.71531 0 0 0
+1706 1 0.91979 0.273492 0.714725 0 0 0
+1707 30 0.850023 0.350601 0.719628 0 0 0
+1708 1 0.880182 0.370463 0.710656 0 0 0
+1709 1 0.818745 0.368764 0.710747 0 0 0
+1710 30 0.850027 0.250026 0.781797 0 0 0
+1711 1 0.880544 0.272935 0.777204 0 0 0
+1712 1 0.819086 0.272325 0.777141 0 0 0
+1713 30 0.950196 0.349787 0.781574 0 0 0
+1714 1 0.982832 0.370578 0.779344 0 0 0
+1715 1 0.921595 0.375614 0.77845 0 0 0
+1716 30 0.949568 0.250233 0.844234 0 0 0
+1717 1 0.983209 0.26928 0.841772 0 0 0
+1718 1 0.922367 0.276614 0.838849 0 0 0
+1719 30 0.850023 0.349956 0.843623 0 0 0
+1720 1 0.880555 0.373219 0.847412 0 0 0
+1721 1 0.819097 0.37278 0.847198 0 0 0
+1722 38 0.849934 0.250995 0.906304 0 0 0
+1723 30 0.949672 0.34998 0.906088 0 0 0
+1724 1 0.982245 0.371094 0.907218 0 0 0
+1725 1 0.921001 0.375982 0.90825 0 0 0
+1726 30 0.949496 0.250329 0.968247 0 0 0
+1727 1 0.983087 0.26933 0.971092 0 0 0
+1728 1 0.922306 0.275853 0.975074 0 0 0
+1729 30 0.850035 0.349899 0.968067 0 0 0
+1730 1 0.880553 0.372702 0.972858 0 0 0
+1731 1 0.819096 0.372039 0.973015 0 0 0
+1732 30 0.849962 0.450078 0.0306496 0 0 0
+1733 1 0.880544 0.472883 0.0352737 0 0 0
+1734 1 0.819102 0.472054 0.0360556 0 0 0
+1735 30 0.950112 0.550032 0.0313604 0 0 0
+1736 1 0.98005 0.574395 0.028544 0 0 0
+1737 1 0.918628 0.572573 0.0293107 0 0 0
+1738 30 0.950314 0.450073 0.0931477 0 0 0
+1739 1 0.97885 0.475095 0.0983639 0 0 0
+1740 1 0.917696 0.469044 0.0989522 0 0 0
+1741 30 0.849975 0.550136 0.0929581 0 0 0
+1742 1 0.87747 0.5748 0.100505 0 0 0
+1743 1 0.816552 0.566747 0.0997208 0 0 0
+1744 30 0.950328 0.551097 0.155046 0 0 0
+1745 1 0.978673 0.568961 0.16735 0 0 0
+1746 1 0.917633 0.561992 0.16627 0 0 0
+1747 30 0.849878 0.450023 0.406475 0 0 0
+1748 1 0.882813 0.470146 0.403645 0 0 0
+1749 1 0.821702 0.476578 0.404399 0 0 0
+1750 30 0.949578 0.550205 0.4069 0 0 0
+1751 1 0.983046 0.567734 0.401215 0 0 0
+1752 1 0.922106 0.575582 0.400306 0 0 0
+1753 30 0.949901 0.450068 0.469078 0 0 0
+1754 1 0.981993 0.471192 0.465436 0 0 0
+1755 1 0.920666 0.475165 0.465919 0 0 0
+1756 30 0.849865 0.550045 0.469099 0 0 0
+1757 1 0.882287 0.570627 0.465387 0 0 0
+1758 1 0.821022 0.575503 0.465671 0 0 0
+1759 30 0.849946 0.449993 0.531488 0 0 0
+1760 1 0.881091 0.472818 0.528754 0 0 0
+1761 1 0.819664 0.474175 0.52969 0 0 0
+1762 30 0.949864 0.550087 0.531741 0 0 0
+1763 1 0.981994 0.570627 0.52707 0 0 0
+1764 1 0.920661 0.57459 0.527026 0 0 0
+1765 30 0.949934 0.450039 0.594162 0 0 0
+1766 1 0.981356 0.47207 0.590337 0 0 0
+1767 1 0.919931 0.474093 0.590667 0 0 0
+1768 30 0.85005 0.549865 0.594113 0 0 0
+1769 1 0.880762 0.573016 0.590642 0 0 0
+1770 1 0.819302 0.573018 0.590768 0 0 0
+1771 30 0.850092 0.450074 0.656763 0 0 0
+1772 1 0.879946 0.473956 0.652414 0 0 0
+1773 1 0.818526 0.47186 0.652857 0 0 0
+1774 30 0.949884 0.549866 0.656481 0 0 0
+1775 1 0.981604 0.572272 0.655613 0 0 0
+1776 1 0.920207 0.574823 0.654884 0 0 0
+1777 30 0.949493 0.450314 0.719383 0 0 0
+1778 1 0.98286 0.469295 0.715608 0 0 0
+1779 1 0.921904 0.475348 0.712474 0 0 0
+1780 30 0.850144 0.549749 0.71913 0 0 0
+1781 1 0.88035 0.573969 0.717045 0 0 0
+1782 1 0.818907 0.572724 0.717538 0 0 0
+1783 38 0.849792 0.45105 0.781029 0 0 0
+1784 30 0.949642 0.549869 0.781462 0 0 0
+1785 1 0.982112 0.570686 0.778499 0 0 0
+1786 1 0.920913 0.575911 0.77986 0 0 0
+1787 30 0.949494 0.450185 0.843457 0 0 0
+1788 1 0.983258 0.469352 0.844497 0 0 0
+1789 1 0.922528 0.477353 0.847641 0 0 0
+1790 30 0.850028 0.549761 0.843527 0 0 0
+1791 1 0.880155 0.574259 0.844485 0 0 0
+1792 1 0.818713 0.572719 0.844497 0 0 0
+1793 30 0.850008 0.449991 0.905914 0 0 0
+1794 1 0.880615 0.473553 0.908571 0 0 0
+1795 1 0.819156 0.473224 0.9086 0 0 0
+1796 30 0.949898 0.549919 0.906158 0 0 0
+1797 1 0.981247 0.572879 0.906454 0 0 0
+1798 1 0.919812 0.574481 0.90697 0 0 0
+1799 30 0.949971 0.449958 0.968498 0 0 0
+1800 1 0.980834 0.473451 0.969979 0 0 0
+1801 1 0.91939 0.473636 0.970856 0 0 0
+1802 30 0.850038 0.549971 0.968532 0 0 0
+1803 1 0.88007 0.574553 0.969765 0 0 0
+1804 1 0.818651 0.57266 0.970519 0 0 0
+1805 30 0.850469 0.650145 0.0310968 0 0 0
+1806 1 0.876726 0.678791 0.0311918 0 0 0
+1807 1 0.816384 0.668144 0.0341828 0 0 0
+1808 30 0.950031 0.750319 0.0305684 0 0 0
+1809 1 0.98051 0.770107 0.0391735 0 0 0
+1810 1 0.919053 0.769473 0.0390373 0 0 0
+1811 38 0.949786 0.650807 0.0943902 0 0 0
+1812 30 0.850468 0.750198 0.0930192 0 0 0
+1813 1 0.877677 0.775412 0.100253 0 0 0
+1814 1 0.816815 0.767078 0.0990346 0 0 0
+1815 30 0.850782 0.650733 0.155262 0 0 0
+1816 1 0.876172 0.675019 0.165637 0 0 0
+1817 1 0.815952 0.664254 0.161939 0 0 0
+1818 30 0.949783 0.750281 0.155116 0 0 0
+1819 1 0.98146 0.767292 0.16433 0 0 0
+1820 1 0.920106 0.770889 0.164057 0 0 0
+1821 30 0.949976 0.749959 0.281223 0 0 0
+1822 1 0.980785 0.773638 0.280967 0 0 0
+1823 1 0.919367 0.773828 0.282386 0 0 0
+1824 30 0.949897 0.650092 0.344254 0 0 0
+1825 1 0.980919 0.672454 0.339941 0 0 0
+1826 1 0.919488 0.673672 0.340867 0 0 0
+1827 30 0.950457 0.749968 0.406926 0 0 0
+1828 1 0.981422 0.772122 0.402065 0 0 0
+1829 1 0.920113 0.771089 0.399447 0 0 0
+1830 30 0.949733 0.650221 0.469414 0 0 0
+1831 1 0.982198 0.669655 0.46388 0 0 0
+1832 1 0.920919 0.67392 0.46262 0 0 0
+1833 30 0.850144 0.750109 0.469381 0 0 0
+1834 1 0.879911 0.774527 0.466085 0 0 0
+1835 1 0.81853 0.771708 0.465232 0 0 0
+1836 30 0.849838 0.650865 0.532224 0 0 0
+1837 1 0.881442 0.666832 0.522217 0 0 0
+1838 1 0.820027 0.668804 0.521407 0 0 0
+1839 30 0.949372 0.750361 0.531976 0 0 0
+1840 1 0.984072 0.766961 0.528529 0 0 0
+1841 1 0.923856 0.776452 0.523631 0 0 0
+1842 30 0.950115 0.649783 0.594105 0 0 0
+1843 1 0.983457 0.669378 0.59173 0 0 0
+1844 1 0.922442 0.676327 0.590167 0 0 0
+1845 38 0.850724 0.750607 0.593092 0 0 0
+1846 30 0.850315 0.649912 0.655877 0 0 0
+1847 1 0.882484 0.670491 0.660372 0 0 0
+1848 1 0.821147 0.674065 0.661324 0 0 0
+1849 30 0.949136 0.750302 0.656146 0 0 0
+1850 1 0.985062 0.764919 0.654642 0 0 0
+1851 1 0.926222 0.781408 0.658763 0 0 0
+1852 30 0.949426 0.64989 0.718845 0 0 0
+1853 1 0.983255 0.668869 0.71738 0 0 0
+1854 1 0.92251 0.677919 0.718852 0 0 0
+1855 30 0.849585 0.750258 0.718269 0 0 0
+1856 1 0.882523 0.770716 0.719889 0 0 0
+1857 1 0.821641 0.775541 0.724199 0 0 0
+1858 30 0.850011 0.649885 0.781221 0 0 0
+1859 1 0.88034 0.674178 0.781016 0 0 0
+1860 1 0.818923 0.673136 0.782308 0 0 0
+1861 30 0.949304 0.749793 0.781589 0 0 0
+1862 1 0.98078 0.771215 0.776729 0 0 0
+1863 1 0.919539 0.774494 0.77925 0 0 0
+1864 30 0.949905 0.649858 0.843879 0 0 0
+1865 1 0.981056 0.672919 0.842122 0 0 0
+1866 1 0.919617 0.674139 0.842774 0 0 0
+1867 30 0.850132 0.749971 0.843841 0 0 0
+1868 1 0.878852 0.776065 0.842532 0 0 0
+1869 1 0.817595 0.771197 0.843259 0 0 0
+1870 30 0.850067 0.649886 0.906217 0 0 0
+1871 1 0.879608 0.675131 0.906051 0 0 0
+1872 1 0.818224 0.672155 0.906488 0 0 0
+1873 30 0.949971 0.750124 0.90667 0 0 0
+1874 1 0.980513 0.773058 0.902194 0 0 0
+1875 1 0.919063 0.772285 0.901681 0 0 0
+1876 30 0.950001 0.649833 0.968756 0 0 0
+1877 1 0.980656 0.673715 0.968899 0 0 0
+1878 1 0.919197 0.673516 0.969109 0 0 0
+1879 30 0.849922 0.749735 0.968519 0 0 0
+1880 1 0.877105 0.777243 0.970902 0 0 0
+1881 1 0.816232 0.768768 0.970755 0 0 0
+1882 30 0.850681 0.850391 0.0304664 0 0 0
+1883 1 0.876195 0.876441 0.0388644 0 0 0
+1884 1 0.81591 0.865675 0.0356021 0 0 0
+1885 30 0.950043 0.949905 0.0306455 0 0 0
+1886 1 0.980344 0.973457 0.0344599 0 0 0
+1887 1 0.918899 0.972169 0.0348127 0 0 0
+1888 30 0.949983 0.850199 0.0928894 0 0 0
+1889 1 0.980573 0.871216 0.100088 0 0 0
+1890 1 0.919114 0.870944 0.0999277 0 0 0
+1891 30 0.850284 0.950108 0.0931957 0 0 0
+1892 1 0.880103 0.974046 0.0975204 0 0 0
+1893 1 0.818727 0.971182 0.0984292 0 0 0
+1894 30 0.850195 0.850149 0.155446 0 0 0
+1895 1 0.87937 0.873215 0.162485 0 0 0
+1896 1 0.818037 0.869374 0.16189 0 0 0
+1897 30 0.950117 0.950191 0.155611 0 0 0
+1898 1 0.980263 0.973098 0.161081 0 0 0
+1899 1 0.918827 0.971389 0.161259 0 0 0
+1900 30 0.949897 0.850215 0.218168 0 0 0
+1901 1 0.980612 0.872865 0.222745 0 0 0
+1902 1 0.919178 0.872244 0.223797 0 0 0
+1903 30 0.850249 0.950307 0.217977 0 0 0
+1904 1 0.879895 0.973054 0.224644 0 0 0
+1905 1 0.818512 0.969969 0.224717 0 0 0
+1906 30 0.950467 0.950217 0.280963 0 0 0
+1907 1 0.978021 0.97721 0.283908 0 0 0
+1908 1 0.917044 0.969518 0.28379 0 0 0
+1909 30 0.95005 0.850229 0.344274 0 0 0
+1910 1 0.980123 0.874587 0.342076 0 0 0
+1911 1 0.919089 0.871463 0.338006 0 0 0
+1912 30 0.850507 0.950011 0.344122 0 0 0
+1913 1 0.877835 0.977517 0.34251 0 0 0
+1914 1 0.816914 0.969395 0.342612 0 0 0
+1915 38 0.849262 0.850146 0.405467 0 0 0
+1916 30 0.949797 0.949975 0.406408 0 0 0
+1917 1 0.981437 0.972535 0.406295 0 0 0
+1918 1 0.920078 0.974849 0.404623 0 0 0
+1919 30 0.94954 0.850189 0.468894 0 0 0
+1920 1 0.983536 0.868953 0.46796 0 0 0
+1921 1 0.922804 0.878374 0.468291 0 0 0
+1922 30 0.850095 0.94992 0.469158 0 0 0
+1923 1 0.879863 0.974254 0.465633 0 0 0
+1924 1 0.818488 0.971375 0.464704 0 0 0
+1925 30 0.849961 0.850541 0.532327 0 0 0
+1926 1 0.881109 0.868585 0.523176 0 0 0
+1927 1 0.819672 0.868568 0.522101 0 0 0
+1928 30 0.948971 0.950395 0.531878 0 0 0
+1929 1 0.984765 0.964419 0.528331 0 0 0
+1930 1 0.925351 0.978958 0.524579 0 0 0
+1931 30 0.949436 0.849902 0.594184 0 0 0
+1932 1 0.985748 0.862148 0.590153 0 0 0
+1933 1 0.927237 0.880938 0.58959 0 0 0
+1934 38 0.850103 0.951191 0.593379 0 0 0
+1935 30 0.849706 0.849928 0.655761 0 0 0
+1936 1 0.881864 0.870745 0.659838 0 0 0
+1937 1 0.820524 0.874343 0.660699 0 0 0
+1938 30 0.949318 0.950193 0.656372 0 0 0
+1939 1 0.983723 0.9675 0.653134 0 0 0
+1940 1 0.923816 0.979474 0.657334 0 0 0
+1941 30 0.949862 0.850409 0.719372 0 0 0
+1942 1 0.980474 0.870353 0.711099 0 0 0
+1943 1 0.919731 0.874469 0.716353 0 0 0
+1944 30 0.850094 0.950019 0.718796 0 0 0
+1945 1 0.879994 0.974739 0.717397 0 0 0
+1946 1 0.818587 0.972758 0.718408 0 0 0
+1947 30 0.8502 0.850074 0.781352 0 0 0
+1948 1 0.878516 0.876473 0.77924 0 0 0
+1949 1 0.817367 0.870843 0.780828 0 0 0
+1950 30 0.950584 0.950358 0.781916 0 0 0
+1951 1 0.977517 0.975515 0.774213 0 0 0
+1952 1 0.916773 0.968506 0.778086 0 0 0
+1953 30 0.950039 0.849986 0.843768 0 0 0
+1954 1 0.976604 0.878262 0.845148 0 0 0
+1955 1 0.916049 0.868699 0.84242 0 0 0
+1956 30 0.850395 0.950069 0.843934 0 0 0
+1957 1 0.877963 0.977292 0.842057 0 0 0
+1958 1 0.816971 0.969729 0.842352 0 0 0
+1959 30 0.85064 0.85024 0.906512 0 0 0
+1960 1 0.875834 0.879295 0.903025 0 0 0
+1961 1 0.815712 0.867207 0.905573 0 0 0
+1962 30 0.950474 0.950008 0.906106 0 0 0
+1963 1 0.977924 0.976884 0.909767 0 0 0
+1964 1 0.917098 0.969906 0.906402 0 0 0
+1965 38 0.949846 0.85049 0.969049 0 0 0
+1966 30 0.850496 0.949961 0.968572 0 0 0
+1967 1 0.878417 0.976849 0.97029 0 0 0
+1968 1 0.817336 0.970182 0.969377 0 0 0
diff --git a/tools/ch2lmp/example/1ac7.in b/tools/ch2lmp/example/1ac7.in
new file mode 100644
index 0000000000..9080205f93
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7.in
@@ -0,0 +1,31 @@
+# Created by charmm2lammps v1.6.2 on Fri Jun 3 14:07:02 MDT 2005
+
+units real
+neigh_modify delay 2 every 1
+
+atom_style full
+bond_style harmonic
+angle_style charmm
+dihedral_style charmm
+improper_style harmonic
+
+pair_style lj/charmm/coul/long 8 10
+pair_modify mix arithmetic
+kspace_style pppm 1e-4
+
+read_data 1ac7.data
+
+special_bonds charmm
+fix 1 all nve
+fix 2 all shake 1e-6 500 0 m 1.0 a 93
+velocity all create 0.0 12345678 dist uniform
+
+thermo 1
+thermo_style multi
+timestep 0.5
+
+restart 10 1ac7.restart1 1ac7.restart2
+dump 1 all atom 10 1ac7.dump
+dump_modify 1 image yes scale yes
+
+run 20
diff --git a/tools/ch2lmp/example/1ac7.pdb b/tools/ch2lmp/example/1ac7.pdb
new file mode 100755
index 0000000000..09b905f6b6
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7.pdb
@@ -0,0 +1,529 @@
+REMARK original generated coordinate pdb file
+ATOM 1 P ADE 1 3.759 0.457 0.076 0.00 0.00 A
+ATOM 2 O1P ADE 1 2.779 0.279 0.171 0.00 0.00 A
+ATOM 3 O2P ADE 1 4.489 -0.205 0.246 0.00 0.00 A
+ATOM 4 O5' ADE 1 3.969 1.972 -0.393 1.00 0.00 A
+ATOM 5 C5' ADE 1 5.044 2.279 -1.290 1.00 0.00 A
+ATOM 6 H5' ADE 1 4.671 2.290 -2.305 1.00 0.00 A
+ATOM 7 H5'' ADE 1 5.816 1.501 -1.189 1.00 0.00 A
+ATOM 8 C4' ADE 1 5.648 3.651 -1.028 1.00 0.00 A
+ATOM 9 H4' ADE 1 6.646 3.694 -1.462 1.00 0.00 A
+ATOM 10 O4' ADE 1 4.831 4.694 -1.619 1.00 0.00 A
+ATOM 11 C1' ADE 1 4.388 5.605 -0.589 1.00 0.00 A
+ATOM 12 H1' ADE 1 4.979 6.519 -0.638 1.00 0.00 A
+ATOM 13 N9 ADE 1 2.960 5.940 -0.745 1.00 0.00 A
+ATOM 14 C5 ADE 1 1.063 7.037 -0.974 1.00 0.00 A
+ATOM 15 N7 ADE 1 0.730 5.679 -1.026 1.00 0.00 A
+ATOM 16 C8 ADE 1 1.887 5.123 -0.884 1.00 0.00 A
+ATOM 17 H8 ADE 1 1.997 4.038 -0.875 1.00 0.00 A
+ATOM 18 N1 ADE 1 0.950 9.380 -0.971 1.00 0.00 A
+ATOM 19 C2 ADE 1 2.273 9.407 -0.803 1.00 0.00 A
+ATOM 20 H2 ADE 1 2.731 10.392 -0.730 1.00 0.00 A
+ATOM 21 N3 ADE 1 3.091 8.365 -0.708 1.00 0.00 A
+ATOM 22 C4 ADE 1 2.417 7.202 -0.802 1.00 0.00 A
+ATOM 23 C6 ADE 1 0.298 8.207 -1.063 1.00 0.00 A
+ATOM 24 N6 ADE 1 -1.022 8.204 -1.236 1.00 0.00 A
+ATOM 25 H61 ADE 1 -1.526 9.077 -1.294 1.00 0.00 A
+ATOM 26 H62 ADE 1 -1.520 7.328 -1.309 1.00 0.00 A
+ATOM 27 C2' ADE 1 4.646 4.918 0.727 1.00 0.00 A
+ATOM 28 H2'' ADE 1 4.989 5.649 1.459 1.00 0.00 A
+ATOM 29 O2' ADE 1 5.086 5.931 1.621 0.00 0.00 A
+ATOM 30 H2' ADE 1 3.741 4.398 1.062 1.00 0.00 A
+ATOM 31 C3' ADE 1 5.735 3.930 0.467 1.00 0.00 A
+ATOM 32 H3' ADE 1 5.546 3.013 1.029 1.00 0.00 A
+ATOM 33 O3' ADE 1 7.011 4.478 0.823 1.00 0.00 A
+ATOM 34 P THY 2 7.364 4.806 2.358 1.00 0.00 A
+ATOM 35 O1P THY 2 8.839 4.776 2.530 1.00 0.00 A
+ATOM 36 O2P THY 2 6.515 3.962 3.238 1.00 0.00 A
+ATOM 37 O5' THY 2 6.861 6.330 2.454 1.00 0.00 A
+ATOM 38 C5' THY 2 7.276 7.297 1.480 1.00 0.00 A
+ATOM 39 H5' THY 2 6.804 7.074 0.532 1.00 0.00 A
+ATOM 40 H5'' THY 2 8.368 7.233 1.371 1.00 0.00 A
+ATOM 41 C4' THY 2 6.873 8.719 1.849 1.00 0.00 A
+ATOM 42 H4' THY 2 7.506 9.419 1.306 1.00 0.00 A
+ATOM 43 O4' THY 2 5.486 8.978 1.507 1.00 0.00 A
+ATOM 44 C1' THY 2 4.768 9.415 2.684 1.00 0.00 A
+ATOM 45 H1' THY 2 4.665 10.500 2.653 1.00 0.00 A
+ATOM 46 N1 THY 2 3.423 8.799 2.747 1.00 0.00 A
+ATOM 47 C6 THY 2 3.266 7.442 2.852 1.00 0.00 A
+ATOM 48 H6 THY 2 4.140 6.814 2.982 1.00 0.00 A
+ATOM 49 C2 THY 2 2.337 9.639 2.626 1.00 0.00 A
+ATOM 50 O2 THY 2 2.458 10.860 2.552 1.00 0.00 A
+ATOM 51 N3 THY 2 1.099 9.029 2.606 1.00 0.00 A
+ATOM 52 H3 THY 2 0.308 9.625 2.509 1.00 0.00 A
+ATOM 53 C4 THY 2 0.851 7.673 2.697 1.00 0.00 A
+ATOM 54 O4 THY 2 -0.302 7.243 2.661 1.00 0.00 A
+ATOM 55 C5 THY 2 2.045 6.871 2.827 1.00 0.00 A
+ATOM 56 C5M THY 2 1.928 5.354 2.910 1.00 0.00 A
+ATOM 57 H51 THY 2 1.213 5.085 3.678 1.00 0.00 A
+ATOM 58 H52 THY 2 2.903 4.926 3.150 1.00 0.00 A
+ATOM 59 H53 THY 2 1.589 4.964 1.960 1.00 0.00 A
+ATOM 60 C2' THY 2 5.626 9.038 3.865 1.00 0.00 A
+ATOM 61 H2'' THY 2 5.564 9.815 4.630 1.00 0.00 A
+ATOM 62 O2' THY 2 5.490 10.094 4.806 0.00 0.00 A
+ATOM 63 H2' THY 2 5.324 8.059 4.256 1.00 0.00 A
+ATOM 64 C3' THY 2 7.025 8.967 3.345 1.00 0.00 A
+ATOM 65 H3' THY 2 7.553 8.132 3.808 1.00 0.00 A
+ATOM 66 O3' THY 2 7.719 10.196 3.596 1.00 0.00 A
+ATOM 67 P CYT 3 7.980 10.697 5.100 1.00 0.00 A
+ATOM 68 O1P CYT 3 9.280 11.413 5.150 1.00 0.00 A
+ATOM 69 O2P CYT 3 7.737 9.569 6.034 1.00 0.00 A
+ATOM 70 O5' CYT 3 6.789 11.768 5.253 1.00 0.00 A
+ATOM 71 C5' CYT 3 6.720 12.904 4.380 1.00 0.00 A
+ATOM 72 H5' CYT 3 6.534 12.568 3.369 1.00 0.00 A
+ATOM 73 H5'' CYT 3 7.686 13.430 4.420 1.00 0.00 A
+ATOM 74 C4' CYT 3 5.593 13.866 4.739 1.00 0.00 A
+ATOM 75 H4' CYT 3 5.709 14.779 4.157 1.00 0.00 A
+ATOM 76 O4' CYT 3 4.292 13.290 4.450 1.00 0.00 A
+ATOM 77 C1' CYT 3 3.465 13.339 5.637 1.00 0.00 A
+ATOM 78 H1' CYT 3 2.791 14.192 5.565 1.00 0.00 A
+ATOM 79 N1 CYT 3 2.672 12.098 5.790 1.00 0.00 A
+ATOM 80 C6 CYT 3 3.282 10.889 5.955 1.00 0.00 A
+ATOM 81 H6 CYT 3 4.365 10.840 6.032 1.00 0.00 A
+ATOM 82 C5 CYT 3 2.559 9.760 6.045 1.00 0.00 A
+ATOM 83 H5 CYT 3 3.039 8.789 6.164 1.00 0.00 A
+ATOM 84 C2 CYT 3 1.294 12.207 5.721 1.00 0.00 A
+ATOM 85 O2 CYT 3 0.763 13.308 5.588 1.00 0.00 A
+ATOM 86 N3 CYT 3 0.558 11.072 5.813 1.00 0.00 A
+ATOM 87 C4 CYT 3 1.140 9.878 5.968 1.00 0.00 A
+ATOM 88 N4 CYT 3 0.379 8.788 6.044 1.00 0.00 A
+ATOM 89 H41 CYT 3 0.806 7.880 6.157 1.00 0.00 A
+ATOM 90 H42 CYT 3 -0.626 8.869 5.991 1.00 0.00 A
+ATOM 91 C2' CYT 3 4.407 13.552 6.796 1.00 0.00 A
+ATOM 92 H2'' CYT 3 3.940 14.214 7.534 1.00 0.00 A
+ATOM 93 O2' CYT 3 3.733 14.417 7.700 0.00 0.00 A
+ATOM 94 H2' CYT 3 4.689 12.590 7.236 1.00 0.00 A
+ATOM 95 C3' CYT 3 5.616 14.221 6.221 1.00 0.00 A
+ATOM 96 H3' CYT 3 6.518 13.815 6.685 1.00 0.00 A
+ATOM 97 O3' CYT 3 5.555 15.639 6.408 1.00 0.00 A
+ATOM 98 P CYT 4 5.538 16.275 7.882 1.00 0.00 A
+ATOM 99 O1P CYT 4 6.177 17.615 7.835 1.00 0.00 A
+ATOM 100 O2P CYT 4 6.033 15.266 8.851 1.00 0.00 A
+ATOM 101 O5' CYT 4 3.955 16.462 8.083 1.00 0.00 A
+ATOM 102 C5' CYT 4 3.157 17.011 7.025 1.00 0.00 A
+ATOM 103 H5' CYT 4 3.112 16.305 6.208 1.00 0.00 A
+ATOM 104 H5'' CYT 4 3.632 17.942 6.682 1.00 0.00 A
+ATOM 105 C4' CYT 4 1.722 17.289 7.449 1.00 0.00 A
+ATOM 106 H4' CYT 4 1.321 18.095 6.835 1.00 0.00 A
+ATOM 107 O4' CYT 4 0.888 16.113 7.280 1.00 0.00 A
+ATOM 108 C1' CYT 4 0.232 15.803 8.531 1.00 0.00 A
+ATOM 109 H1' CYT 4 -0.791 16.175 8.498 1.00 0.00 A
+ATOM 110 N1 CYT 4 0.215 14.343 8.782 1.00 0.00 A
+ATOM 111 C6 CYT 4 1.375 13.644 8.967 1.00 0.00 A
+ATOM 112 H6 CYT 4 2.327 14.165 8.951 1.00 0.00 A
+ATOM 113 C5 CYT 4 1.351 12.313 9.169 1.00 0.00 A
+ATOM 114 H5 CYT 4 2.272 11.748 9.314 1.00 0.00 A
+ATOM 115 C2 CYT 4 -1.018 13.712 8.800 1.00 0.00 A
+ATOM 116 O2 CYT 4 -2.050 14.359 8.636 1.00 0.00 A
+ATOM 117 N3 CYT 4 -1.049 12.370 9.003 1.00 0.00 A
+ATOM 118 C4 CYT 4 0.078 11.668 9.183 1.00 0.00 A
+ATOM 119 N4 CYT 4 0.010 10.348 9.372 1.00 0.00 A
+ATOM 120 H41 CYT 4 0.855 9.814 9.502 1.00 0.00 A
+ATOM 121 H42 CYT 4 -0.885 9.881 9.386 1.00 0.00 A
+ATOM 122 C2' CYT 4 0.992 16.545 9.602 1.00 0.00 A
+ATOM 123 H2'' CYT 4 0.293 16.923 10.350 1.00 0.00 A
+ATOM 124 O2' CYT 4 0.020 17.000 10.533 0.00 0.00 A
+ATOM 125 H2' CYT 4 1.751 15.896 10.049 1.00 0.00 A
+ATOM 126 C3' CYT 4 1.648 17.697 8.914 1.00 0.00 A
+ATOM 127 H3' CYT 4 2.656 17.837 9.310 1.00 0.00 A
+ATOM 128 O3' CYT 4 0.881 18.892 9.085 1.00 0.00 A
+ATOM 129 P THY 5 0.647 19.496 10.554 1.00 0.00 A
+ATOM 130 O1P THY 5 0.561 20.975 10.457 1.00 0.00 A
+ATOM 131 O2P THY 5 1.626 18.884 11.487 1.00 0.00 A
+ATOM 132 O5' THY 5 -0.815 18.907 10.868 1.00 0.00 A
+ATOM 133 C5' THY 5 -1.928 19.273 10.041 1.00 0.00 A
+ATOM 134 H5' THY 5 -1.694 19.051 9.009 1.00 0.00 A
+ATOM 135 H5'' THY 5 -2.101 20.352 10.155 1.00 0.00 A
+ATOM 136 C4' THY 5 -3.200 18.507 10.381 1.00 0.00 A
+ATOM 137 H4' THY 5 -3.974 18.774 9.662 1.00 0.00 A
+ATOM 138 O4' THY 5 -2.989 17.071 10.326 1.00 0.00 A
+ATOM 139 C1' THY 5 -3.410 16.473 11.574 1.00 0.00 A
+ATOM 140 H1' THY 5 -4.409 16.057 11.449 1.00 0.00 A
+ATOM 141 N1 THY 5 -2.482 15.396 11.992 1.00 0.00 A
+ATOM 142 C6 THY 5 -1.153 15.644 12.196 1.00 0.00 A
+ATOM 143 H6 THY 5 -0.790 16.668 12.147 1.00 0.00 A
+ATOM 144 C2 THY 5 -3.000 14.117 12.096 1.00 0.00 A
+ATOM 145 O2 THY 5 -4.196 13.881 11.943 1.00 0.00 A
+ATOM 146 N3 THY 5 -2.094 13.117 12.403 1.00 0.00 A
+ATOM 147 H3 THY 5 -2.449 12.182 12.472 1.00 0.00 A
+ATOM 148 C4 THY 5 -0.742 13.280 12.614 1.00 0.00 A
+ATOM 149 O4 THY 5 -0.032 12.308 12.873 1.00 0.00 A
+ATOM 150 C5 THY 5 -0.289 14.648 12.492 1.00 0.00 A
+ATOM 151 C5M THY 5 1.191 14.967 12.669 1.00 0.00 A
+ATOM 152 H51 THY 5 1.550 14.530 13.594 1.00 0.00 A
+ATOM 153 H52 THY 5 1.333 16.047 12.693 1.00 0.00 A
+ATOM 154 H53 THY 5 1.751 14.549 11.843 1.00 0.00 A
+ATOM 155 C2' THY 5 -3.465 17.594 12.579 1.00 0.00 A
+ATOM 156 H2'' THY 5 -4.306 17.435 13.264 1.00 0.00 A
+ATOM 157 O2' THY 5 -4.580 17.322 13.417 0.00 0.00 A
+ATOM 158 H2' THY 5 -2.511 17.661 13.116 1.00 0.00 A
+ATOM 159 C3' THY 5 -3.691 18.844 11.781 1.00 0.00 A
+ATOM 160 H3' THY 5 -3.096 19.660 12.197 1.00 0.00 A
+ATOM 161 O3' THY 5 -5.077 19.199 11.761 1.00 0.00 A
+ATOM 162 P ADE 6 -5.692 20.169 12.882 1.00 0.00 A
+ATOM 163 O1P ADE 6 -6.683 21.072 12.244 1.00 0.00 A
+ATOM 164 O2P ADE 6 -4.583 20.752 13.678 1.00 0.00 A
+ATOM 165 O5' ADE 6 -6.471 19.094 13.785 1.00 0.00 A
+ATOM 166 C5' ADE 6 -7.541 18.319 13.232 1.00 0.00 A
+ATOM 167 H5' ADE 6 -7.211 17.850 12.315 1.00 0.00 A
+ATOM 168 H5'' ADE 6 -8.386 18.991 13.021 1.00 0.00 A
+ATOM 169 C4' ADE 6 -7.985 17.203 14.162 1.00 0.00 A
+ATOM 170 H4' ADE 6 -8.974 16.858 13.863 1.00 0.00 A
+ATOM 171 O4' ADE 6 -7.060 16.084 14.109 1.00 0.00 A
+ATOM 172 C1' ADE 6 -6.626 15.770 15.448 1.00 0.00 A
+ATOM 173 H1' ADE 6 -7.241 14.954 15.831 1.00 0.00 A
+ATOM 174 N9 ADE 6 -5.206 15.361 15.499 1.00 0.00 A
+ATOM 175 C5 ADE 6 -3.380 14.152 15.741 1.00 0.00 A
+ATOM 176 N7 ADE 6 -2.949 15.480 15.662 1.00 0.00 A
+ATOM 177 C8 ADE 6 -4.070 16.107 15.522 1.00 0.00 A
+ATOM 178 H8 ADE 6 -4.100 17.190 15.422 1.00 0.00 A
+ATOM 179 N1 ADE 6 -3.441 11.818 15.931 1.00 0.00 A
+ATOM 180 C2 ADE 6 -4.769 11.882 15.816 1.00 0.00 A
+ATOM 181 H2 ADE 6 -5.306 10.937 15.837 1.00 0.00 A
+ATOM 182 N3 ADE 6 -5.509 12.969 15.668 1.00 0.00 A
+ATOM 183 C4 ADE 6 -4.749 14.077 15.638 1.00 0.00 A
+ATOM 184 C6 ADE 6 -2.701 12.939 15.900 1.00 0.00 A
+ATOM 185 N6 ADE 6 -1.379 12.855 16.045 1.00 0.00 A
+ATOM 186 H61 ADE 6 -0.941 11.951 16.157 1.00 0.00 A
+ATOM 187 H62 ADE 6 -0.816 13.693 16.045 1.00 0.00 A
+ATOM 188 C2' ADE 6 -6.890 17.001 16.274 1.00 0.00 A
+ATOM 189 H2'' ADE 6 -7.162 16.715 17.291 1.00 0.00 A
+ATOM 190 O2' ADE 6 -7.256 16.544 17.569 0.00 0.00 A
+ATOM 191 H2' ADE 6 -6.014 17.659 16.261 1.00 0.00 A
+ATOM 192 C3' ADE 6 -8.041 17.687 15.608 1.00 0.00 A
+ATOM 193 H3' ADE 6 -7.903 18.770 15.646 1.00 0.00 A
+ATOM 194 O3' ADE 6 -9.285 17.318 16.221 1.00 0.00 A
+ATOM 195 P GUA 7 -9.843 18.105 17.507 1.00 0.00 A
+ATOM 196 O1P GUA 7 -11.229 18.561 17.226 1.00 0.00 A
+ATOM 197 O2P GUA 7 -8.828 19.100 17.939 1.00 0.00 A
+ATOM 198 O5' GUA 7 -9.897 16.910 18.585 1.00 0.00 A
+ATOM 199 C5' GUA 7 -10.177 15.560 18.181 1.00 0.00 A
+ATOM 200 H5' GUA 7 -9.745 15.381 17.207 1.00 0.00 A
+ATOM 201 H5'' GUA 7 -11.270 15.426 18.114 1.00 0.00 A
+ATOM 202 C4' GUA 7 -9.561 14.522 19.125 1.00 0.00 A
+ATOM 203 H4' GUA 7 -10.025 13.556 18.935 1.00 0.00 A
+ATOM 204 O4' GUA 7 -8.133 14.405 18.887 1.00 0.00 A
+ATOM 205 C1' GUA 7 -7.410 14.638 20.119 1.00 0.00 A
+ATOM 206 H1' GUA 7 -7.083 13.684 20.529 1.00 0.00 A
+ATOM 207 N9 GUA 7 -6.233 15.500 19.896 1.00 0.00 A
+ATOM 208 C4 GUA 7 -4.911 15.108 19.923 1.00 0.00 A
+ATOM 209 N2 GUA 7 -2.510 12.617 20.326 1.00 0.00 A
+ATOM 210 H21 GUA 7 -1.501 12.565 20.299 1.00 0.00 A
+ATOM 211 H22 GUA 7 -3.053 11.785 20.505 1.00 0.00 A
+ATOM 212 N3 GUA 7 -4.458 13.854 20.155 1.00 0.00 A
+ATOM 213 C2 GUA 7 -3.123 13.783 20.119 1.00 0.00 A
+ATOM 214 N1 GUA 7 -2.305 14.867 19.874 1.00 0.00 A
+ATOM 215 H1 GUA 7 -1.305 14.730 19.867 1.00 0.00 A
+ATOM 216 C6 GUA 7 -2.744 16.163 19.632 1.00 0.00 A
+ATOM 217 O6 GUA 7 -1.932 17.060 19.420 1.00 0.00 A
+ATOM 218 C5 GUA 7 -4.162 16.248 19.668 1.00 0.00 A
+ATOM 219 N7 GUA 7 -4.998 17.354 19.481 1.00 0.00 A
+ATOM 220 C8 GUA 7 -6.168 16.829 19.630 1.00 0.00 A
+ATOM 221 H8 GUA 7 -7.071 17.433 19.552 1.00 0.00 A
+ATOM 222 C2' GUA 7 -8.383 15.282 21.074 1.00 0.00 A
+ATOM 223 H2'' GUA 7 -8.214 14.899 22.086 1.00 0.00 A
+ATOM 224 O2' GUA 7 -8.103 14.731 22.354 0.00 0.00 A
+ATOM 225 H2' GUA 7 -8.286 16.373 21.035 1.00 0.00 A
+ATOM 226 C3' GUA 7 -9.744 14.878 20.608 1.00 0.00 A
+ATOM 227 H3' GUA 7 -10.429 15.719 20.727 1.00 0.00 A
+ATOM 228 O3' GUA 7 -10.214 13.747 21.352 1.00 0.00 A
+ATOM 229 P THY 8 -10.470 13.861 22.933 1.00 0.00 A
+ATOM 230 O1P THY 8 -11.662 13.049 23.287 1.00 0.00 A
+ATOM 231 O2P THY 8 -10.423 15.292 23.326 1.00 0.00 A
+ATOM 232 O5' THY 8 -9.152 13.125 23.489 1.00 0.00 A
+ATOM 233 C5' THY 8 -9.105 11.695 23.588 1.00 0.00 A
+ATOM 234 H5' THY 8 -9.468 11.262 22.666 1.00 0.00 A
+ATOM 235 H5'' THY 8 -9.754 11.381 24.418 1.00 0.00 A
+ATOM 236 C4' THY 8 -7.687 11.168 23.791 1.00 0.00 A
+ATOM 237 H4' THY 8 -7.609 10.181 23.338 1.00 0.00 A
+ATOM 238 O4' THY 8 -6.715 12.044 23.168 1.00 0.00 A
+ATOM 239 C1' THY 8 -5.719 12.435 24.137 1.00 0.00 A
+ATOM 240 H1' THY 8 -4.826 11.809 24.000 1.00 0.00 A
+ATOM 241 N1 THY 8 -5.347 13.860 23.988 1.00 0.00 A
+ATOM 242 C6 THY 8 -6.259 14.865 24.197 1.00 0.00 A
+ATOM 243 H6 THY 8 -7.285 14.614 24.463 1.00 0.00 A
+ATOM 244 C2 THY 8 -4.038 14.136 23.637 1.00 0.00 A
+ATOM 245 O2 THY 8 -3.212 13.247 23.443 1.00 0.00 A
+ATOM 246 N3 THY 8 -3.711 15.473 23.513 1.00 0.00 A
+ATOM 247 H3 THY 8 -2.758 15.688 23.257 1.00 0.00 A
+ATOM 248 C4 THY 8 -4.564 16.543 23.707 1.00 0.00 A
+ATOM 249 O4 THY 8 -4.163 17.697 23.570 1.00 0.00 A
+ATOM 250 C5 THY 8 -5.910 16.163 24.071 1.00 0.00 A
+ATOM 251 C5M THY 8 -6.952 17.250 24.322 1.00 0.00 A
+ATOM 252 H51 THY 8 -7.951 16.823 24.241 1.00 0.00 A
+ATOM 253 H52 THY 8 -6.834 18.044 23.584 1.00 0.00 A
+ATOM 254 H53 THY 8 -6.813 17.662 25.322 1.00 0.00 A
+ATOM 255 C2' THY 8 -6.324 12.155 25.493 1.00 0.00 A
+ATOM 256 H2'' THY 8 -5.551 11.817 26.188 1.00 0.00 A
+ATOM 257 O2' THY 8 -5.259 11.702 26.317 0.00 0.00 A
+ATOM 258 H2' THY 8 -6.834 13.050 25.864 1.00 0.00 A
+ATOM 259 C3' THY 8 -7.326 11.065 25.272 1.00 0.00 A
+ATOM 260 H3' THY 8 -8.207 11.245 25.890 1.00 0.00 A
+ATOM 261 O3' THY 8 -6.760 9.782 25.572 1.00 0.00 A
+ATOM 262 P THY 9 -6.511 9.330 27.094 1.00 0.00 A
+ATOM 263 O1P THY 9 -6.391 7.851 27.145 1.00 0.00 A
+ATOM 264 O2P THY 9 -7.505 10.007 27.965 1.00 0.00 A
+ATOM 265 O5' THY 9 -5.064 9.980 27.352 1.00 0.00 A
+ATOM 266 C5' THY 9 -3.880 9.385 26.799 1.00 0.00 A
+ATOM 267 H5' THY 9 -4.151 8.500 26.239 1.00 0.00 A
+ATOM 268 H5'' THY 9 -3.212 9.106 27.628 1.00 0.00 A
+ATOM 269 C4' THY 9 -3.160 10.317 25.831 1.00 0.00 A
+ATOM 270 H4' THY 9 -3.569 10.180 24.831 1.00 0.00 A
+ATOM 271 O4' THY 9 -3.322 11.705 26.223 1.00 0.00 A
+ATOM 272 C1' THY 9 -2.022 12.314 26.402 1.00 0.00 A
+ATOM 273 H1' THY 9 -1.789 12.931 25.535 1.00 0.00 A
+ATOM 274 N1 THY 9 -1.980 13.144 27.620 1.00 0.00 A
+ATOM 275 C6 THY 9 -2.301 12.617 28.841 1.00 0.00 A
+ATOM 276 H6 THY 9 -2.602 11.572 28.910 1.00 0.00 A
+ATOM 277 C2 THY 9 -1.594 14.462 27.479 1.00 0.00 A
+ATOM 278 O2 THY 9 -1.304 14.946 26.388 1.00 0.00 A
+ATOM 279 N3 THY 9 -1.550 15.208 28.642 1.00 0.00 A
+ATOM 280 H3 THY 9 -1.266 16.173 28.556 1.00 0.00 A
+ATOM 281 C4 THY 9 -1.856 14.754 29.913 1.00 0.00 A
+ATOM 282 O4 THY 9 -1.781 15.506 30.882 1.00 0.00 A
+ATOM 283 C5 THY 9 -2.250 13.364 29.961 1.00 0.00 A
+ATOM 284 C5M THY 9 -2.613 12.733 31.301 1.00 0.00 A
+ATOM 285 H51 THY 9 -3.440 13.282 31.750 1.00 0.00 A
+ATOM 286 H52 THY 9 -1.749 12.768 31.965 1.00 0.00 A
+ATOM 287 H53 THY 9 -2.907 11.695 31.144 1.00 0.00 A
+ATOM 288 C2' THY 9 -1.031 11.183 26.492 1.00 0.00 A
+ATOM 289 H2'' THY 9 -0.104 11.461 25.976 1.00 0.00 A
+ATOM 290 O2' THY 9 0.130 11.618 25.797 0.00 0.00 A
+ATOM 291 H2' THY 9 -0.850 10.929 27.544 1.00 0.00 A
+ATOM 292 C3' THY 9 -1.667 10.028 25.792 1.00 0.00 A
+ATOM 293 H3' THY 9 -1.452 9.104 26.331 1.00 0.00 A
+ATOM 294 O3' THY 9 -1.201 9.937 24.447 1.00 0.00 A
+ATOM 295 P ADE 10 -0.315 8.688 23.992 1.00 0.00 A
+ATOM 296 O1P ADE 10 0.551 8.277 25.125 1.00 0.00 A
+ATOM 297 O2P ADE 10 0.304 8.985 22.676 1.00 0.00 A
+ATOM 298 O5' ADE 10 -1.467 7.588 23.799 1.00 0.00 A
+ATOM 299 C5' ADE 10 -1.147 6.209 23.981 1.00 0.00 A
+ATOM 300 H5' ADE 10 -1.499 5.914 24.943 1.00 0.00 A
+ATOM 301 H5'' ADE 10 -0.058 6.091 23.938 1.00 0.00 A
+ATOM 302 C4' ADE 10 -1.836 5.303 22.968 1.00 0.00 A
+ATOM 303 H4' ADE 10 -2.067 4.345 23.431 1.00 0.00 A
+ATOM 304 O4' ADE 10 -3.058 5.912 22.482 1.00 0.00 A
+ATOM 305 C1' ADE 10 -2.814 6.401 21.156 1.00 0.00 A
+ATOM 306 H1' ADE 10 -3.405 5.820 20.462 1.00 0.00 A
+ATOM 307 N9 ADE 10 -3.245 7.804 21.056 1.00 0.00 A
+ATOM 308 C5 ADE 10 -4.488 9.625 21.105 1.00 0.00 A
+ATOM 309 N7 ADE 10 -3.166 10.059 21.189 1.00 0.00 A
+ATOM 310 C8 ADE 10 -2.525 8.939 21.164 1.00 0.00 A
+ATOM 311 H8 ADE 10 -1.467 8.901 21.352 1.00 0.00 A
+ATOM 312 N1 ADE 10 -6.829 9.568 20.995 1.00 0.00 A
+ATOM 313 C2 ADE 10 -6.756 8.238 20.930 1.00 0.00 A
+ATOM 314 H2 ADE 10 -7.703 7.703 20.862 1.00 0.00 A
+ATOM 315 N3 ADE 10 -5.655 7.493 20.942 1.00 0.00 A
+ATOM 316 C4 ADE 10 -4.547 8.257 21.031 1.00 0.00 A
+ATOM 317 C6 ADE 10 -5.708 10.306 21.082 1.00 0.00 A
+ATOM 318 N6 ADE 10 -5.798 11.634 21.109 1.00 0.00 A
+ATOM 319 H61 ADE 10 -4.961 12.197 21.148 1.00 0.00 A
+ATOM 320 H62 ADE 10 -6.705 12.077 21.097 1.00 0.00 A
+ATOM 321 C2' ADE 10 -1.353 6.163 20.832 1.00 0.00 A
+ATOM 322 H2'' ADE 10 -1.255 5.812 19.797 1.00 0.00 A
+ATOM 323 O2' ADE 10 -1.304 5.706 19.487 0.00 0.00 A
+ATOM 324 H2' ADE 10 -0.763 7.061 21.013 1.00 0.00 A
+ATOM 325 C3' ADE 10 -0.922 5.089 21.772 1.00 0.00 A
+ATOM 326 H3' ADE 10 0.123 5.233 22.050 1.00 0.00 A
+ATOM 327 O3' ADE 10 -1.116 3.794 21.200 1.00 0.00 A
+ATOM 328 P THY 11 -0.300 3.354 19.891 1.00 0.00 A
+ATOM 329 O1P THY 11 0.097 1.930 20.024 1.00 0.00 A
+ATOM 330 O2P THY 11 0.734 4.378 19.599 1.00 0.00 A
+ATOM 331 O5' THY 11 -1.473 3.469 18.803 1.00 0.00 A
+ATOM 332 C5' THY 11 -2.662 2.689 18.966 1.00 0.00 A
+ATOM 333 H5' THY 11 -2.944 2.680 20.010 1.00 0.00 A
+ATOM 334 H5'' THY 11 -2.451 1.662 18.634 1.00 0.00 A
+ATOM 335 C4' THY 11 -3.851 3.245 18.197 1.00 0.00 A
+ATOM 336 H4' THY 11 -4.766 2.847 18.632 1.00 0.00 A
+ATOM 337 O4' THY 11 -3.901 4.696 18.258 1.00 0.00 A
+ATOM 338 C1' THY 11 -4.030 5.228 16.919 1.00 0.00 A
+ATOM 339 H1' THY 11 -5.080 5.439 16.719 1.00 0.00 A
+ATOM 340 N1 THY 11 -3.239 6.466 16.744 1.00 0.00 A
+ATOM 341 C6 THY 11 -1.881 6.470 16.918 1.00 0.00 A
+ATOM 342 H6 THY 11 -1.372 5.540 17.168 1.00 0.00 A
+ATOM 343 C2 THY 11 -3.928 7.616 16.410 1.00 0.00 A
+ATOM 344 O2 THY 11 -5.147 7.627 16.255 1.00 0.00 A
+ATOM 345 N3 THY 11 -3.167 8.760 16.267 1.00 0.00 A
+ATOM 346 H3 THY 11 -3.656 9.597 16.002 1.00 0.00 A
+ATOM 347 C4 THY 11 -1.796 8.854 16.430 1.00 0.00 A
+ATOM 348 O4 THY 11 -1.220 9.932 16.292 1.00 0.00 A
+ATOM 349 C5 THY 11 -1.161 7.602 16.776 1.00 0.00 A
+ATOM 350 C5M THY 11 0.348 7.560 16.990 1.00 0.00 A
+ATOM 351 H51 THY 11 0.804 8.445 16.550 1.00 0.00 A
+ATOM 352 H52 THY 11 0.757 6.667 16.526 1.00 0.00 A
+ATOM 353 H53 THY 11 0.561 7.538 18.049 1.00 0.00 A
+ATOM 354 C2' THY 11 -3.564 4.136 15.992 1.00 0.00 A
+ATOM 355 H2'' THY 11 -4.165 4.148 15.075 1.00 0.00 A
+ATOM 356 O2' THY 11 -4.394 4.212 14.841 0.00 0.00 A
+ATOM 357 H2' THY 11 -2.495 4.258 15.779 1.00 0.00 A
+ATOM 358 C3' THY 11 -3.793 2.852 16.729 1.00 0.00 A
+ATOM 359 H3' THY 11 -2.953 2.176 16.559 1.00 0.00 A
+ATOM 360 O3' THY 11 -5.015 2.233 16.322 1.00 0.00 A
+ATOM 361 P ADE 12 -5.221 1.752 14.807 1.00 0.00 A
+ATOM 362 O1P ADE 12 -6.125 0.574 14.792 1.00 0.00 A
+ATOM 363 O2P ADE 12 -3.895 1.663 14.146 1.00 0.00 A
+ATOM 364 O5' ADE 12 -6.010 3.023 14.225 1.00 0.00 A
+ATOM 365 C5' ADE 12 -7.077 3.615 14.980 1.00 0.00 A
+ATOM 366 H5' ADE 12 -6.670 4.100 15.857 1.00 0.00 A
+ATOM 367 H5'' ADE 12 -7.769 2.818 15.287 1.00 0.00 A
+ATOM 368 C4' ADE 12 -7.824 4.680 14.194 1.00 0.00 A
+ATOM 369 H4' ADE 12 -8.830 4.786 14.598 1.00 0.00 A
+ATOM 370 O4' ADE 12 -7.144 5.958 14.280 1.00 0.00 A
+ATOM 371 C1' ADE 12 -6.790 6.408 12.952 1.00 0.00 A
+ATOM 372 H1' ADE 12 -7.490 7.183 12.639 1.00 0.00 A
+ATOM 373 N9 ADE 12 -5.417 6.949 12.917 1.00 0.00 A
+ATOM 374 C5 ADE 12 -3.693 8.321 12.830 1.00 0.00 A
+ATOM 375 N7 ADE 12 -3.157 7.043 13.020 1.00 0.00 A
+ATOM 376 C8 ADE 12 -4.226 6.316 13.057 1.00 0.00 A
+ATOM 377 H8 ADE 12 -4.171 5.237 13.186 1.00 0.00 A
+ATOM 378 N1 ADE 12 -3.941 10.629 12.522 1.00 0.00 A
+ATOM 379 C2 ADE 12 -5.257 10.448 12.476 1.00 0.00 A
+ATOM 380 H2 ADE 12 -5.861 11.340 12.337 1.00 0.00 A
+ATOM 381 N3 ADE 12 -5.913 9.300 12.587 1.00 0.00 A
+ATOM 382 C4 ADE 12 -5.067 8.268 12.764 1.00 0.00 A
+ATOM 383 C6 ADE 12 -3.111 9.589 12.699 1.00 0.00 A
+ATOM 384 N6 ADE 12 -1.795 9.805 12.753 1.00 0.00 A
+ATOM 385 H61 ADE 12 -1.162 9.032 12.894 1.00 0.00 A
+ATOM 386 H62 ADE 12 -1.429 10.745 12.648 1.00 0.00 A
+ATOM 387 C2' ADE 12 -6.935 5.215 12.045 1.00 0.00 A
+ATOM 388 H2'' ADE 12 -7.341 5.533 11.081 1.00 0.00 A
+ATOM 389 O2' ADE 12 -7.468 5.708 10.823 0.00 0.00 A
+ATOM 390 H2' ADE 12 -5.967 4.711 11.933 1.00 0.00 A
+ATOM 391 C3' ADE 12 -7.909 4.308 12.721 1.00 0.00 A
+ATOM 392 H3' ADE 12 -7.606 3.268 12.582 1.00 0.00 A
+ATOM 393 O3' ADE 12 -9.231 4.514 12.212 1.00 0.00 A
+ATOM 394 P GUA 13 -9.569 4.219 10.669 1.00 0.00 A
+ATOM 395 O1P GUA 13 -10.964 3.722 10.568 1.00 0.00 A
+ATOM 396 O2P GUA 13 -8.467 3.416 10.078 1.00 0.00 A
+ATOM 397 O5' GUA 13 -9.502 5.712 10.074 1.00 0.00 A
+ATOM 398 C5' GUA 13 -10.262 6.771 10.674 1.00 0.00 A
+ATOM 399 H5' GUA 13 -9.915 6.931 11.687 1.00 0.00 A
+ATOM 400 H5'' GUA 13 -11.321 6.472 10.690 1.00 0.00 A
+ATOM 401 C4' GUA 13 -10.106 8.098 9.939 1.00 0.00 A
+ATOM 402 H4' GUA 13 -10.856 8.800 10.304 1.00 0.00 A
+ATOM 403 O4' GUA 13 -8.786 8.662 10.158 1.00 0.00 A
+ATOM 404 C1' GUA 13 -8.107 8.815 8.888 1.00 0.00 A
+ATOM 405 H1' GUA 13 -8.123 9.865 8.595 1.00 0.00 A
+ATOM 406 N9 GUA 13 -6.709 8.354 8.973 1.00 0.00 A
+ATOM 407 C4 GUA 13 -5.588 9.146 8.985 1.00 0.00 A
+ATOM 408 N2 GUA 13 -4.124 12.296 8.784 1.00 0.00 A
+ATOM 409 H21 GUA 13 -3.184 12.667 8.819 1.00 0.00 A
+ATOM 410 H22 GUA 13 -4.906 12.918 8.649 1.00 0.00 A
+ATOM 411 N3 GUA 13 -5.570 10.492 8.868 1.00 0.00 A
+ATOM 412 C2 GUA 13 -4.330 10.984 8.915 1.00 0.00 A
+ATOM 413 N1 GUA 13 -3.206 10.202 9.073 1.00 0.00 A
+ATOM 414 H1 GUA 13 -2.315 10.646 9.124 1.00 0.00 A
+ATOM 415 C6 GUA 13 -3.197 8.821 9.193 1.00 0.00 A
+ATOM 416 O6 GUA 13 -2.131 8.221 9.329 1.00 0.00 A
+ATOM 417 C5 GUA 13 -4.509 8.289 9.140 1.00 0.00 A
+ATOM 418 N7 GUA 13 -4.941 6.963 9.220 1.00 0.00 A
+ATOM 419 C8 GUA 13 -6.219 7.099 9.112 1.00 0.00 A
+ATOM 420 H8 GUA 13 -6.878 6.234 9.115 1.00 0.00 A
+ATOM 421 C2' GUA 13 -8.891 8.009 7.886 1.00 0.00 A
+ATOM 422 H2'' GUA 13 -8.913 8.529 6.925 1.00 0.00 A
+ATOM 423 O2' GUA 13 -8.878 8.756 6.677 0.00 0.00 A
+ATOM 424 H2' GUA 13 -8.460 7.004 7.796 1.00 0.00 A
+ATOM 425 C3' GUA 13 -10.275 7.918 8.438 1.00 0.00 A
+ATOM 426 H3' GUA 13 -10.699 6.935 8.226 1.00 0.00 A
+ATOM 427 O3' GUA 13 -11.101 8.949 7.886 1.00 0.00 A
+ATOM 428 P GUA 14 -11.390 9.003 6.307 1.00 0.00 A
+ATOM 429 O1P GUA 14 -12.822 9.326 6.088 1.00 0.00 A
+ATOM 430 O2P GUA 14 -10.812 7.792 5.669 1.00 0.00 A
+ATOM 431 O5' GUA 14 -10.498 10.281 5.903 1.00 0.00 A
+ATOM 432 C5' GUA 14 -10.655 11.527 6.598 1.00 0.00 A
+ATOM 433 H5' GUA 14 -10.451 11.380 7.649 1.00 0.00 A
+ATOM 434 H5'' GUA 14 -11.694 11.866 6.469 1.00 0.00 A
+ATOM 435 C4' GUA 14 -9.695 12.606 6.108 1.00 0.00 A
+ATOM 436 H4' GUA 14 -10.002 13.566 6.522 1.00 0.00 A
+ATOM 437 O4' GUA 14 -8.331 12.331 6.524 1.00 0.00 A
+ATOM 438 C1' GUA 14 -7.466 12.306 5.364 1.00 0.00 A
+ATOM 439 H1' GUA 14 -6.929 13.252 5.293 1.00 0.00 A
+ATOM 440 N9 GUA 14 -6.496 11.197 5.439 1.00 0.00 A
+ATOM 441 C4 GUA 14 -5.130 11.309 5.503 1.00 0.00 A
+ATOM 442 N2 GUA 14 -2.272 13.284 5.569 1.00 0.00 A
+ATOM 443 H21 GUA 14 -1.276 13.122 5.619 1.00 0.00 A
+ATOM 444 H22 GUA 14 -2.629 14.227 5.521 1.00 0.00 A
+ATOM 445 N3 GUA 14 -4.431 12.464 5.499 1.00 0.00 A
+ATOM 446 C2 GUA 14 -3.115 12.253 5.569 1.00 0.00 A
+ATOM 447 N1 GUA 14 -2.546 11.000 5.639 1.00 0.00 A
+ATOM 448 H1 GUA 14 -1.553 10.927 5.697 1.00 0.00 A
+ATOM 449 C6 GUA 14 -3.243 9.800 5.643 1.00 0.00 A
+ATOM 450 O6 GUA 14 -2.637 8.733 5.710 1.00 0.00 A
+ATOM 451 C5 GUA 14 -4.640 10.014 5.568 1.00 0.00 A
+ATOM 452 N7 GUA 14 -5.685 9.089 5.544 1.00 0.00 A
+ATOM 453 C8 GUA 14 -6.712 9.862 5.468 1.00 0.00 A
+ATOM 454 H8 GUA 14 -7.718 9.456 5.407 1.00 0.00 A
+ATOM 455 C2' GUA 14 -8.370 12.156 4.168 1.00 0.00 A
+ATOM 456 H2'' GUA 14 -7.981 12.746 3.333 1.00 0.00 A
+ATOM 457 O2' GUA 14 -7.800 12.955 3.140 0.00 0.00 A
+ATOM 458 H2' GUA 14 -8.468 11.095 3.906 1.00 0.00 A
+ATOM 459 C3' GUA 14 -9.699 12.699 4.588 1.00 0.00 A
+ATOM 460 H3' GUA 14 -10.498 12.075 4.180 1.00 0.00 A
+ATOM 461 O3' GUA 14 -9.858 14.054 4.155 1.00 0.00 A
+ATOM 462 P ADE 15 -9.872 14.418 2.591 1.00 0.00 A
+ATOM 463 O1P ADE 15 -10.717 15.621 2.385 1.00 0.00 A
+ATOM 464 O2P ADE 15 -10.159 13.187 1.811 1.00 0.00 A
+ATOM 465 O5' ADE 15 -8.329 14.822 2.384 1.00 0.00 A
+ATOM 466 C5' ADE 15 -7.757 15.905 3.132 1.00 0.00 A
+ATOM 467 H5' ADE 15 -7.679 15.620 4.173 1.00 0.00 A
+ATOM 468 H5'' ADE 15 -8.419 16.778 3.038 1.00 0.00 A
+ATOM 469 C4' ADE 15 -6.352 16.267 2.666 1.00 0.00 A
+ATOM 470 H4' ADE 15 -6.074 17.231 3.090 1.00 0.00 A
+ATOM 471 O4' ADE 15 -5.384 15.271 3.088 1.00 0.00 A
+ATOM 472 C1' ADE 15 -4.683 14.758 1.931 1.00 0.00 A
+ATOM 473 H1' ADE 15 -3.701 15.229 1.864 1.00 0.00 A
+ATOM 474 N9 ADE 15 -4.519 13.297 2.002 1.00 0.00 A
+ATOM 475 C5 ADE 15 -3.661 11.277 2.155 1.00 0.00 A
+ATOM 476 N7 ADE 15 -5.037 11.096 2.004 1.00 0.00 A
+ATOM 477 C8 ADE 15 -5.449 12.315 1.922 1.00 0.00 A
+ATOM 478 H8 ADE 15 -6.501 12.547 1.781 1.00 0.00 A
+ATOM 479 N1 ADE 15 -1.372 10.906 2.425 1.00 0.00 A
+ATOM 480 C2 ADE 15 -1.189 12.224 2.412 1.00 0.00 A
+ATOM 481 H2 ADE 15 -0.165 12.572 2.528 1.00 0.00 A
+ATOM 482 N3 ADE 15 -2.117 13.160 2.280 1.00 0.00 A
+ATOM 483 C4 ADE 15 -3.341 12.615 2.156 1.00 0.00 A
+ATOM 484 C6 ADE 15 -2.600 10.384 2.299 1.00 0.00 A
+ATOM 485 N6 ADE 15 -2.755 9.059 2.312 1.00 0.00 A
+ATOM 486 H61 ADE 15 -1.949 8.456 2.417 1.00 0.00 A
+ATOM 487 H62 ADE 15 -3.677 8.658 2.219 1.00 0.00 A
+ATOM 488 C2' ADE 15 -5.504 15.149 0.731 1.00 0.00 A
+ATOM 489 H2'' ADE 15 -4.844 15.409 -0.102 1.00 0.00 A
+ATOM 490 O2' ADE 15 -4.576 15.478 -0.294 0.00 0.00 A
+ATOM 491 H2' ADE 15 -6.190 14.335 0.468 1.00 0.00 A
+ATOM 492 C3' ADE 15 -6.283 16.352 1.147 1.00 0.00 A
+ATOM 493 H3' ADE 15 -7.289 16.303 0.726 1.00 0.00 A
+ATOM 494 O3' ADE 15 -5.624 17.548 0.722 1.00 0.00 A
+ATOM 495 P THY 16 -5.398 17.836 -0.841 1.00 0.00 A
+ATOM 496 O1P THY 16 -5.436 19.302 -1.072 1.00 0.00 A
+ATOM 497 O2P THY 16 -6.293 16.951 -1.628 1.00 0.00 A
+ATOM 498 O5' THY 16 -3.882 17.322 -1.001 1.00 0.00 A
+ATOM 499 C5' THY 16 -2.838 17.907 -0.211 1.00 0.00 A
+ATOM 500 H5' THY 16 -2.999 17.667 0.830 1.00 0.00 A
+ATOM 501 H5'' THY 16 -2.874 18.998 -0.347 1.00 0.00 A
+ATOM 502 C4' THY 16 -1.452 17.388 -0.574 1.00 0.00 A
+ATOM 503 H4' THY 16 -0.705 17.995 -0.065 1.00 0.00 A
+ATOM 504 O4' THY 16 -1.281 16.003 -0.170 1.00 0.00 A
+ATOM 505 C1' THY 16 -0.834 15.221 -1.300 1.00 0.00 A
+ATOM 506 H1' THY 16 0.246 15.085 -1.238 1.00 0.00 A
+ATOM 507 N1 THY 16 -1.493 13.897 -1.332 1.00 0.00 A
+ATOM 508 C6 THY 16 -2.847 13.782 -1.508 1.00 0.00 A
+ATOM 509 H6 THY 16 -3.452 14.681 -1.599 1.00 0.00 A
+ATOM 510 C2 THY 16 -0.686 12.781 -1.194 1.00 0.00 A
+ATOM 511 O2 THY 16 0.530 12.869 -1.037 1.00 0.00 A
+ATOM 512 N3 THY 16 -1.328 11.558 -1.246 1.00 0.00 A
+ATOM 513 H3 THY 16 -0.760 10.742 -1.134 1.00 0.00 A
+ATOM 514 C4 THY 16 -2.685 11.356 -1.424 1.00 0.00 A
+ATOM 515 O4 THY 16 -3.150 10.219 -1.466 1.00 0.00 A
+ATOM 516 C5 THY 16 -3.447 12.577 -1.557 1.00 0.00 A
+ATOM 517 C5M THY 16 -4.957 12.501 -1.760 1.00 0.00 A
+ATOM 518 H51 THY 16 -5.422 13.407 -1.376 1.00 0.00 A
+ATOM 519 H52 THY 16 -5.352 11.634 -1.237 1.00 0.00 A
+ATOM 520 H53 THY 16 -5.176 12.408 -2.814 1.00 0.00 A
+ATOM 521 C2' THY 16 -1.160 16.036 -2.531 1.00 0.00 A
+ATOM 522 H2'' THY 16 -0.365 15.912 -3.277 1.00 0.00 A
+ATOM 523 O2' THY 16 -0.085 15.830 -3.438 0.00 0.00 A
+ATOM 524 H2' THY 16 -2.137 15.741 -2.930 1.00 0.00 A
+ATOM 525 C3' THY 16 -1.207 17.463 -2.076 1.00 0.00 A
+ATOM 526 H3' THY 16 -2.043 17.975 -2.561 1.00 0.00 A
+ATOM 527 O3' THY 16 0.021 18.138 -2.365 1.00 0.00 A
+END
diff --git a/tools/ch2lmp/example/1ac7.pdb1 b/tools/ch2lmp/example/1ac7.pdb1
new file mode 100755
index 0000000000..d243ea0dde
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7.pdb1
@@ -0,0 +1,5159 @@
+HEADER DNA 14-FEB-97 XXXX
+TITLE STRUCTURAL FEATURES OF THE DNA HAIRPIN D(ATCCTAGTTATAGGAT):
+TITLE 2 THE FORMATION OF A G-A BASE PAIR IN THE LOOP, NMR, 10
+TITLE 3 STRUCTURES
+COMPND 5'-D(*AP*TP*CP*CP*TP*AP*GP*TP*TP*AP*TP*AP*GP*GP*AP*T)-3'
+KEYWDS DEOXYRIBONUCLEIC ACID
+EXPDTA NMR, 10 STRUCTURES
+AUTHOR M.J.P.VAN DONGEN, M.M.W.MOOREN, E.F.A.WILLEMS, G.A.VAN DER
+AUTHOR 2 MAREL, J.H.VAN BOOM, S.S.WIJMENGA, C.W.HILBERS
+JRNL AUTH M.J.VAN DONGEN, M.M.MOOREN, E.F.WILLEMS,
+JRNL AUTH 2 G.A.VAN DER MAREL, J.H.VAN BOOM, S.S.WIJMENGA,
+JRNL AUTH 3 C.W.HILBERS
+JRNL TITL STRUCTURAL FEATURES OF THE DNA HAIRPIN
+JRNL TITL 2 D(ATCCTA-GTTA-TAGGAT): FORMATION OF A G-A BASE
+JRNL TITL 3 PAIR IN THE LOOP
+JRNL REF NUCLEIC ACIDS RES. V. 25 1537 1997
+JRNL REFN ASTM NARHAD UK ISSN 0305-1048
+REMARK 1
+SEQRES 1 A 16 A T C C T A G T T A T A G
+SEQRES 2 A 16 G A T
+CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
+ORIGX1 1.000000 0.000000 0.000000 0.00000
+ORIGX2 0.000000 1.000000 0.000000 0.00000
+ORIGX3 0.000000 0.000000 1.000000 0.00000
+SCALE1 1.000000 0.000000 0.000000 0.00000
+SCALE2 0.000000 1.000000 0.000000 0.00000
+SCALE3 0.000000 0.000000 1.000000 0.00000
+MODEL 1
+ATOM 1 O5* A A 1 3.969 1.972 -0.393 1.00 0.00 O
+ATOM 2 C5* A A 1 5.044 2.279 -1.290 1.00 0.00 C
+ATOM 3 C4* A A 1 5.648 3.651 -1.028 1.00 0.00 C
+ATOM 4 O4* A A 1 4.831 4.694 -1.619 1.00 0.00 O
+ATOM 5 C3* A A 1 5.735 3.930 0.467 1.00 0.00 C
+ATOM 6 O3* A A 1 7.011 4.478 0.823 1.00 0.00 O
+ATOM 7 C2* A A 1 4.646 4.918 0.727 1.00 0.00 C
+ATOM 8 C1* A A 1 4.388 5.605 -0.589 1.00 0.00 C
+ATOM 9 N9 A A 1 2.960 5.940 -0.745 1.00 0.00 N
+ATOM 10 C8 A A 1 1.887 5.123 -0.884 1.00 0.00 C
+ATOM 11 N7 A A 1 0.730 5.679 -1.026 1.00 0.00 N
+ATOM 12 C5 A A 1 1.063 7.037 -0.974 1.00 0.00 C
+ATOM 13 C6 A A 1 0.298 8.207 -1.063 1.00 0.00 C
+ATOM 14 N6 A A 1 -1.022 8.204 -1.236 1.00 0.00 N
+ATOM 15 N1 A A 1 0.950 9.380 -0.971 1.00 0.00 N
+ATOM 16 C2 A A 1 2.273 9.407 -0.803 1.00 0.00 C
+ATOM 17 N3 A A 1 3.091 8.365 -0.708 1.00 0.00 N
+ATOM 18 C4 A A 1 2.417 7.202 -0.802 1.00 0.00 C
+ATOM 19 1H5* A A 1 4.671 2.290 -2.305 1.00 0.00 H
+ATOM 20 2H5* A A 1 5.816 1.501 -1.189 1.00 0.00 H
+ATOM 21 H4* A A 1 6.646 3.694 -1.462 1.00 0.00 H
+ATOM 22 H3* A A 1 5.546 3.013 1.029 1.00 0.00 H
+ATOM 23 H1* A A 1 4.979 6.519 -0.638 1.00 0.00 H
+ATOM 24 H8 A A 1 1.997 4.038 -0.875 1.00 0.00 H
+ATOM 25 1H6 A A 1 -1.526 9.077 -1.294 1.00 0.00 H
+ATOM 26 2H6 A A 1 -1.520 7.328 -1.309 1.00 0.00 H
+ATOM 27 H2 A A 1 2.731 10.392 -0.730 1.00 0.00 H
+ATOM 28 1H2* A A 1 3.741 4.398 1.062 1.00 0.00 H
+ATOM 29 2H2* A A 1 4.989 5.649 1.459 1.00 0.00 H
+ATOM 30 H5T A A 1 3.298 1.508 -0.900 1.00 0.00 H
+ATOM 31 P T A 2 7.364 4.806 2.358 1.00 0.00 P
+ATOM 32 O1P T A 2 8.839 4.776 2.530 1.00 0.00 O
+ATOM 33 O2P T A 2 6.515 3.962 3.238 1.00 0.00 O
+ATOM 34 O5* T A 2 6.861 6.330 2.454 1.00 0.00 O
+ATOM 35 C5* T A 2 7.276 7.297 1.480 1.00 0.00 C
+ATOM 36 C4* T A 2 6.873 8.719 1.849 1.00 0.00 C
+ATOM 37 O4* T A 2 5.486 8.978 1.507 1.00 0.00 O
+ATOM 38 C3* T A 2 7.025 8.967 3.345 1.00 0.00 C
+ATOM 39 O3* T A 2 7.719 10.196 3.596 1.00 0.00 O
+ATOM 40 C2* T A 2 5.626 9.038 3.865 1.00 0.00 C
+ATOM 41 C1* T A 2 4.768 9.415 2.684 1.00 0.00 C
+ATOM 42 N1 T A 2 3.423 8.799 2.747 1.00 0.00 N
+ATOM 43 C2 T A 2 2.337 9.639 2.626 1.00 0.00 C
+ATOM 44 O2 T A 2 2.458 10.860 2.552 1.00 0.00 O
+ATOM 45 N3 T A 2 1.099 9.029 2.606 1.00 0.00 N
+ATOM 46 C4 T A 2 0.851 7.673 2.697 1.00 0.00 C
+ATOM 47 O4 T A 2 -0.302 7.243 2.661 1.00 0.00 O
+ATOM 48 C5 T A 2 2.045 6.871 2.827 1.00 0.00 C
+ATOM 49 C5M T A 2 1.928 5.354 2.910 1.00 0.00 C
+ATOM 50 C6 T A 2 3.266 7.442 2.852 1.00 0.00 C
+ATOM 51 1H5* T A 2 6.804 7.074 0.532 1.00 0.00 H
+ATOM 52 2H5* T A 2 8.368 7.233 1.371 1.00 0.00 H
+ATOM 53 H4* T A 2 7.506 9.419 1.306 1.00 0.00 H
+ATOM 54 H3* T A 2 7.553 8.132 3.808 1.00 0.00 H
+ATOM 55 1H2* T A 2 5.324 8.059 4.256 1.00 0.00 H
+ATOM 56 2H2* T A 2 5.564 9.815 4.630 1.00 0.00 H
+ATOM 57 H1* T A 2 4.665 10.500 2.653 1.00 0.00 H
+ATOM 58 H3 T A 2 0.308 9.625 2.509 1.00 0.00 H
+ATOM 59 1H5M T A 2 1.213 5.085 3.678 1.00 0.00 H
+ATOM 60 2H5M T A 2 2.903 4.926 3.150 1.00 0.00 H
+ATOM 61 3H5M T A 2 1.589 4.964 1.960 1.00 0.00 H
+ATOM 62 H6 T A 2 4.140 6.814 2.982 1.00 0.00 H
+ATOM 63 P C A 3 7.980 10.697 5.100 1.00 0.00 P
+ATOM 64 O1P C A 3 9.280 11.413 5.150 1.00 0.00 O
+ATOM 65 O2P C A 3 7.737 9.569 6.034 1.00 0.00 O
+ATOM 66 O5* C A 3 6.789 11.768 5.253 1.00 0.00 O
+ATOM 67 C5* C A 3 6.720 12.904 4.380 1.00 0.00 C
+ATOM 68 C4* C A 3 5.593 13.866 4.739 1.00 0.00 C
+ATOM 69 O4* C A 3 4.292 13.290 4.450 1.00 0.00 O
+ATOM 70 C3* C A 3 5.616 14.221 6.221 1.00 0.00 C
+ATOM 71 O3* C A 3 5.555 15.639 6.408 1.00 0.00 O
+ATOM 72 C2* C A 3 4.407 13.552 6.796 1.00 0.00 C
+ATOM 73 C1* C A 3 3.465 13.339 5.637 1.00 0.00 C
+ATOM 74 N1 C A 3 2.672 12.098 5.790 1.00 0.00 N
+ATOM 75 C2 C A 3 1.294 12.207 5.721 1.00 0.00 C
+ATOM 76 O2 C A 3 0.763 13.308 5.588 1.00 0.00 O
+ATOM 77 N3 C A 3 0.558 11.072 5.813 1.00 0.00 N
+ATOM 78 C4 C A 3 1.140 9.878 5.968 1.00 0.00 C
+ATOM 79 N4 C A 3 0.379 8.788 6.044 1.00 0.00 N
+ATOM 80 C5 C A 3 2.559 9.760 6.045 1.00 0.00 C
+ATOM 81 C6 C A 3 3.282 10.889 5.955 1.00 0.00 C
+ATOM 82 1H5* C A 3 6.534 12.568 3.369 1.00 0.00 H
+ATOM 83 2H5* C A 3 7.686 13.430 4.420 1.00 0.00 H
+ATOM 84 H4* C A 3 5.709 14.779 4.157 1.00 0.00 H
+ATOM 85 H3* C A 3 6.518 13.815 6.685 1.00 0.00 H
+ATOM 86 H1* C A 3 2.791 14.192 5.565 1.00 0.00 H
+ATOM 87 1H4 C A 3 0.806 7.880 6.157 1.00 0.00 H
+ATOM 88 2H4 C A 3 -0.626 8.869 5.991 1.00 0.00 H
+ATOM 89 H5 C A 3 3.039 8.789 6.164 1.00 0.00 H
+ATOM 90 H6 C A 3 4.365 10.840 6.032 1.00 0.00 H
+ATOM 91 1H2* C A 3 4.689 12.590 7.236 1.00 0.00 H
+ATOM 92 2H2* C A 3 3.940 14.214 7.534 1.00 0.00 H
+ATOM 93 P C A 4 5.538 16.275 7.882 1.00 0.00 P
+ATOM 94 O1P C A 4 6.177 17.615 7.835 1.00 0.00 O
+ATOM 95 O2P C A 4 6.033 15.266 8.851 1.00 0.00 O
+ATOM 96 O5* C A 4 3.955 16.462 8.083 1.00 0.00 O
+ATOM 97 C5* C A 4 3.157 17.011 7.025 1.00 0.00 C
+ATOM 98 C4* C A 4 1.722 17.289 7.449 1.00 0.00 C
+ATOM 99 O4* C A 4 0.888 16.113 7.280 1.00 0.00 O
+ATOM 100 C3* C A 4 1.648 17.697 8.914 1.00 0.00 C
+ATOM 101 O3* C A 4 0.881 18.892 9.085 1.00 0.00 O
+ATOM 102 C2* C A 4 0.992 16.545 9.602 1.00 0.00 C
+ATOM 103 C1* C A 4 0.232 15.803 8.531 1.00 0.00 C
+ATOM 104 N1 C A 4 0.215 14.343 8.782 1.00 0.00 N
+ATOM 105 C2 C A 4 -1.018 13.712 8.800 1.00 0.00 C
+ATOM 106 O2 C A 4 -2.050 14.359 8.636 1.00 0.00 O
+ATOM 107 N3 C A 4 -1.049 12.370 9.003 1.00 0.00 N
+ATOM 108 C4 C A 4 0.078 11.668 9.183 1.00 0.00 C
+ATOM 109 N4 C A 4 0.010 10.348 9.372 1.00 0.00 N
+ATOM 110 C5 C A 4 1.351 12.313 9.169 1.00 0.00 C
+ATOM 111 C6 C A 4 1.375 13.644 8.967 1.00 0.00 C
+ATOM 112 1H5* C A 4 3.112 16.305 6.208 1.00 0.00 H
+ATOM 113 2H5* C A 4 3.632 17.942 6.682 1.00 0.00 H
+ATOM 114 H4* C A 4 1.321 18.095 6.835 1.00 0.00 H
+ATOM 115 H3* C A 4 2.656 17.837 9.310 1.00 0.00 H
+ATOM 116 H1* C A 4 -0.791 16.175 8.498 1.00 0.00 H
+ATOM 117 1H4 C A 4 0.855 9.814 9.502 1.00 0.00 H
+ATOM 118 2H4 C A 4 -0.885 9.881 9.386 1.00 0.00 H
+ATOM 119 H5 C A 4 2.272 11.748 9.314 1.00 0.00 H
+ATOM 120 H6 C A 4 2.327 14.165 8.951 1.00 0.00 H
+ATOM 121 1H2* C A 4 1.751 15.896 10.049 1.00 0.00 H
+ATOM 122 2H2* C A 4 0.293 16.923 10.350 1.00 0.00 H
+ATOM 123 P T A 5 0.647 19.496 10.554 1.00 0.00 P
+ATOM 124 O1P T A 5 0.561 20.975 10.457 1.00 0.00 O
+ATOM 125 O2P T A 5 1.626 18.884 11.487 1.00 0.00 O
+ATOM 126 O5* T A 5 -0.815 18.907 10.868 1.00 0.00 O
+ATOM 127 C5* T A 5 -1.928 19.273 10.041 1.00 0.00 C
+ATOM 128 C4* T A 5 -3.200 18.507 10.381 1.00 0.00 C
+ATOM 129 O4* T A 5 -2.989 17.071 10.326 1.00 0.00 O
+ATOM 130 C3* T A 5 -3.691 18.844 11.781 1.00 0.00 C
+ATOM 131 O3* T A 5 -5.077 19.199 11.761 1.00 0.00 O
+ATOM 132 C2* T A 5 -3.465 17.594 12.579 1.00 0.00 C
+ATOM 133 C1* T A 5 -3.410 16.473 11.574 1.00 0.00 C
+ATOM 134 N1 T A 5 -2.482 15.396 11.992 1.00 0.00 N
+ATOM 135 C2 T A 5 -3.000 14.117 12.096 1.00 0.00 C
+ATOM 136 O2 T A 5 -4.196 13.881 11.943 1.00 0.00 O
+ATOM 137 N3 T A 5 -2.094 13.117 12.403 1.00 0.00 N
+ATOM 138 C4 T A 5 -0.742 13.280 12.614 1.00 0.00 C
+ATOM 139 O4 T A 5 -0.032 12.308 12.873 1.00 0.00 O
+ATOM 140 C5 T A 5 -0.289 14.648 12.492 1.00 0.00 C
+ATOM 141 C5M T A 5 1.191 14.967 12.669 1.00 0.00 C
+ATOM 142 C6 T A 5 -1.153 15.644 12.196 1.00 0.00 C
+ATOM 143 1H5* T A 5 -1.694 19.051 9.009 1.00 0.00 H
+ATOM 144 2H5* T A 5 -2.101 20.352 10.155 1.00 0.00 H
+ATOM 145 H4* T A 5 -3.974 18.774 9.662 1.00 0.00 H
+ATOM 146 H3* T A 5 -3.096 19.660 12.197 1.00 0.00 H
+ATOM 147 1H2* T A 5 -2.511 17.661 13.116 1.00 0.00 H
+ATOM 148 2H2* T A 5 -4.306 17.435 13.264 1.00 0.00 H
+ATOM 149 H1* T A 5 -4.409 16.057 11.449 1.00 0.00 H
+ATOM 150 H3 T A 5 -2.449 12.182 12.472 1.00 0.00 H
+ATOM 151 1H5M T A 5 1.550 14.530 13.594 1.00 0.00 H
+ATOM 152 2H5M T A 5 1.333 16.047 12.693 1.00 0.00 H
+ATOM 153 3H5M T A 5 1.751 14.549 11.843 1.00 0.00 H
+ATOM 154 H6 T A 5 -0.790 16.668 12.147 1.00 0.00 H
+ATOM 155 P A A 6 -5.692 20.169 12.882 1.00 0.00 P
+ATOM 156 O1P A A 6 -6.683 21.072 12.244 1.00 0.00 O
+ATOM 157 O2P A A 6 -4.583 20.752 13.678 1.00 0.00 O
+ATOM 158 O5* A A 6 -6.471 19.094 13.785 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.541 18.319 13.232 1.00 0.00 C
+ATOM 160 C4* A A 6 -7.985 17.203 14.162 1.00 0.00 C
+ATOM 161 O4* A A 6 -7.060 16.084 14.109 1.00 0.00 O
+ATOM 162 C3* A A 6 -8.041 17.687 15.608 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.285 17.318 16.221 1.00 0.00 O
+ATOM 164 C2* A A 6 -6.890 17.001 16.274 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.626 15.770 15.448 1.00 0.00 C
+ATOM 166 N9 A A 6 -5.206 15.361 15.499 1.00 0.00 N
+ATOM 167 C8 A A 6 -4.070 16.107 15.522 1.00 0.00 C
+ATOM 168 N7 A A 6 -2.949 15.480 15.662 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.380 14.152 15.741 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.701 12.939 15.900 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.379 12.855 16.045 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.441 11.818 15.931 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.769 11.882 15.816 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.509 12.969 15.668 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.749 14.077 15.638 1.00 0.00 C
+ATOM 176 1H5* A A 6 -7.211 17.850 12.315 1.00 0.00 H
+ATOM 177 2H5* A A 6 -8.386 18.991 13.021 1.00 0.00 H
+ATOM 178 H4* A A 6 -8.974 16.858 13.863 1.00 0.00 H
+ATOM 179 H3* A A 6 -7.903 18.770 15.646 1.00 0.00 H
+ATOM 180 H1* A A 6 -7.241 14.954 15.831 1.00 0.00 H
+ATOM 181 H8 A A 6 -4.100 17.190 15.422 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.941 11.951 16.157 1.00 0.00 H
+ATOM 183 2H6 A A 6 -0.816 13.693 16.045 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.306 10.937 15.837 1.00 0.00 H
+ATOM 185 1H2* A A 6 -6.014 17.659 16.261 1.00 0.00 H
+ATOM 186 2H2* A A 6 -7.162 16.715 17.291 1.00 0.00 H
+ATOM 187 P G A 7 -9.843 18.105 17.507 1.00 0.00 P
+ATOM 188 O1P G A 7 -11.229 18.561 17.226 1.00 0.00 O
+ATOM 189 O2P G A 7 -8.828 19.100 17.939 1.00 0.00 O
+ATOM 190 O5* G A 7 -9.897 16.910 18.585 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.177 15.560 18.181 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.561 14.522 19.125 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.133 14.405 18.887 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.744 14.878 20.608 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.214 13.747 21.352 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.383 15.282 21.074 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.410 14.638 20.119 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.233 15.500 19.896 1.00 0.00 N
+ATOM 199 C8 G A 7 -6.168 16.829 19.630 1.00 0.00 C
+ATOM 200 N7 G A 7 -4.998 17.354 19.481 1.00 0.00 N
+ATOM 201 C5 G A 7 -4.162 16.248 19.668 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.744 16.163 19.632 1.00 0.00 C
+ATOM 203 O6 G A 7 -1.932 17.060 19.420 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.305 14.867 19.874 1.00 0.00 N
+ATOM 205 C2 G A 7 -3.123 13.783 20.119 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.510 12.617 20.326 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.458 13.854 20.155 1.00 0.00 N
+ATOM 208 C4 G A 7 -4.911 15.108 19.923 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.745 15.381 17.207 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.270 15.426 18.114 1.00 0.00 H
+ATOM 211 H4* G A 7 -10.025 13.556 18.935 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.429 15.719 20.727 1.00 0.00 H
+ATOM 213 H1* G A 7 -7.083 13.684 20.529 1.00 0.00 H
+ATOM 214 H8 G A 7 -7.071 17.433 19.552 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.305 14.730 19.867 1.00 0.00 H
+ATOM 216 1H2 G A 7 -1.501 12.565 20.299 1.00 0.00 H
+ATOM 217 2H2 G A 7 -3.053 11.785 20.505 1.00 0.00 H
+ATOM 218 1H2* G A 7 -8.286 16.373 21.035 1.00 0.00 H
+ATOM 219 2H2* G A 7 -8.214 14.899 22.086 1.00 0.00 H
+ATOM 220 P T A 8 -10.470 13.861 22.933 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.662 13.049 23.287 1.00 0.00 O
+ATOM 222 O2P T A 8 -10.423 15.292 23.326 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.152 13.125 23.489 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.105 11.695 23.588 1.00 0.00 C
+ATOM 225 C4* T A 8 -7.687 11.168 23.791 1.00 0.00 C
+ATOM 226 O4* T A 8 -6.715 12.044 23.168 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.326 11.065 25.272 1.00 0.00 C
+ATOM 228 O3* T A 8 -6.760 9.782 25.572 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.324 12.155 25.493 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.719 12.435 24.137 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.347 13.860 23.988 1.00 0.00 N
+ATOM 232 C2 T A 8 -4.038 14.136 23.637 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.212 13.247 23.443 1.00 0.00 O
+ATOM 234 N3 T A 8 -3.711 15.473 23.513 1.00 0.00 N
+ATOM 235 C4 T A 8 -4.564 16.543 23.707 1.00 0.00 C
+ATOM 236 O4 T A 8 -4.163 17.697 23.570 1.00 0.00 O
+ATOM 237 C5 T A 8 -5.910 16.163 24.071 1.00 0.00 C
+ATOM 238 C5M T A 8 -6.952 17.250 24.322 1.00 0.00 C
+ATOM 239 C6 T A 8 -6.259 14.865 24.197 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.468 11.262 22.666 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.754 11.381 24.418 1.00 0.00 H
+ATOM 242 H4* T A 8 -7.609 10.181 23.338 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.207 11.245 25.890 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.834 13.050 25.864 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.551 11.817 26.188 1.00 0.00 H
+ATOM 246 H1* T A 8 -4.826 11.809 24.000 1.00 0.00 H
+ATOM 247 H3 T A 8 -2.758 15.688 23.257 1.00 0.00 H
+ATOM 248 1H5M T A 8 -7.951 16.823 24.241 1.00 0.00 H
+ATOM 249 2H5M T A 8 -6.834 18.044 23.584 1.00 0.00 H
+ATOM 250 3H5M T A 8 -6.813 17.662 25.322 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.285 14.614 24.463 1.00 0.00 H
+ATOM 252 P T A 9 -6.511 9.330 27.094 1.00 0.00 P
+ATOM 253 O1P T A 9 -6.391 7.851 27.145 1.00 0.00 O
+ATOM 254 O2P T A 9 -7.505 10.007 27.965 1.00 0.00 O
+ATOM 255 O5* T A 9 -5.064 9.980 27.352 1.00 0.00 O
+ATOM 256 C5* T A 9 -3.880 9.385 26.799 1.00 0.00 C
+ATOM 257 C4* T A 9 -3.160 10.317 25.831 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.322 11.705 26.223 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.667 10.028 25.792 1.00 0.00 C
+ATOM 260 O3* T A 9 -1.201 9.937 24.447 1.00 0.00 O
+ATOM 261 C2* T A 9 -1.031 11.183 26.492 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.022 12.314 26.402 1.00 0.00 C
+ATOM 263 N1 T A 9 -1.980 13.144 27.620 1.00 0.00 N
+ATOM 264 C2 T A 9 -1.594 14.462 27.479 1.00 0.00 C
+ATOM 265 O2 T A 9 -1.304 14.946 26.388 1.00 0.00 O
+ATOM 266 N3 T A 9 -1.550 15.208 28.642 1.00 0.00 N
+ATOM 267 C4 T A 9 -1.856 14.754 29.913 1.00 0.00 C
+ATOM 268 O4 T A 9 -1.781 15.506 30.882 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.250 13.364 29.961 1.00 0.00 C
+ATOM 270 C5M T A 9 -2.613 12.733 31.301 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.301 12.617 28.841 1.00 0.00 C
+ATOM 272 1H5* T A 9 -4.151 8.500 26.239 1.00 0.00 H
+ATOM 273 2H5* T A 9 -3.212 9.106 27.628 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.569 10.180 24.831 1.00 0.00 H
+ATOM 275 H3* T A 9 -1.452 9.104 26.331 1.00 0.00 H
+ATOM 276 1H2* T A 9 -0.850 10.929 27.544 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.104 11.461 25.976 1.00 0.00 H
+ATOM 278 H1* T A 9 -1.789 12.931 25.535 1.00 0.00 H
+ATOM 279 H3 T A 9 -1.266 16.173 28.556 1.00 0.00 H
+ATOM 280 1H5M T A 9 -3.440 13.282 31.750 1.00 0.00 H
+ATOM 281 2H5M T A 9 -1.749 12.768 31.965 1.00 0.00 H
+ATOM 282 3H5M T A 9 -2.907 11.695 31.144 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.602 11.572 28.910 1.00 0.00 H
+ATOM 284 P A A 10 -0.315 8.688 23.992 1.00 0.00 P
+ATOM 285 O1P A A 10 0.551 8.277 25.125 1.00 0.00 O
+ATOM 286 O2P A A 10 0.304 8.985 22.676 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.467 7.588 23.799 1.00 0.00 O
+ATOM 288 C5* A A 10 -1.147 6.209 23.981 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.836 5.303 22.968 1.00 0.00 C
+ATOM 290 O4* A A 10 -3.058 5.912 22.482 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.922 5.089 21.772 1.00 0.00 C
+ATOM 292 O3* A A 10 -1.116 3.794 21.200 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.353 6.163 20.832 1.00 0.00 C
+ATOM 294 C1* A A 10 -2.814 6.401 21.156 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.245 7.804 21.056 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.525 8.939 21.164 1.00 0.00 C
+ATOM 297 N7 A A 10 -3.166 10.059 21.189 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.488 9.625 21.105 1.00 0.00 C
+ATOM 299 C6 A A 10 -5.708 10.306 21.082 1.00 0.00 C
+ATOM 300 N6 A A 10 -5.798 11.634 21.109 1.00 0.00 N
+ATOM 301 N1 A A 10 -6.829 9.568 20.995 1.00 0.00 N
+ATOM 302 C2 A A 10 -6.756 8.238 20.930 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.655 7.493 20.942 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.547 8.257 21.031 1.00 0.00 C
+ATOM 305 1H5* A A 10 -1.499 5.914 24.943 1.00 0.00 H
+ATOM 306 2H5* A A 10 -0.058 6.091 23.938 1.00 0.00 H
+ATOM 307 H4* A A 10 -2.067 4.345 23.431 1.00 0.00 H
+ATOM 308 H3* A A 10 0.123 5.233 22.050 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.405 5.820 20.462 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.467 8.901 21.352 1.00 0.00 H
+ATOM 311 1H6 A A 10 -4.961 12.197 21.148 1.00 0.00 H
+ATOM 312 2H6 A A 10 -6.705 12.077 21.097 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.703 7.703 20.862 1.00 0.00 H
+ATOM 314 1H2* A A 10 -0.763 7.061 21.013 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.255 5.812 19.797 1.00 0.00 H
+ATOM 316 P T A 11 -0.300 3.354 19.891 1.00 0.00 P
+ATOM 317 O1P T A 11 0.097 1.930 20.024 1.00 0.00 O
+ATOM 318 O2P T A 11 0.734 4.378 19.599 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.473 3.469 18.803 1.00 0.00 O
+ATOM 320 C5* T A 11 -2.662 2.689 18.966 1.00 0.00 C
+ATOM 321 C4* T A 11 -3.851 3.245 18.197 1.00 0.00 C
+ATOM 322 O4* T A 11 -3.901 4.696 18.258 1.00 0.00 O
+ATOM 323 C3* T A 11 -3.793 2.852 16.729 1.00 0.00 C
+ATOM 324 O3* T A 11 -5.015 2.233 16.322 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.564 4.136 15.992 1.00 0.00 C
+ATOM 326 C1* T A 11 -4.030 5.228 16.919 1.00 0.00 C
+ATOM 327 N1 T A 11 -3.239 6.466 16.744 1.00 0.00 N
+ATOM 328 C2 T A 11 -3.928 7.616 16.410 1.00 0.00 C
+ATOM 329 O2 T A 11 -5.147 7.627 16.255 1.00 0.00 O
+ATOM 330 N3 T A 11 -3.167 8.760 16.267 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.796 8.854 16.430 1.00 0.00 C
+ATOM 332 O4 T A 11 -1.220 9.932 16.292 1.00 0.00 O
+ATOM 333 C5 T A 11 -1.161 7.602 16.776 1.00 0.00 C
+ATOM 334 C5M T A 11 0.348 7.560 16.990 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.881 6.470 16.918 1.00 0.00 C
+ATOM 336 1H5* T A 11 -2.944 2.680 20.010 1.00 0.00 H
+ATOM 337 2H5* T A 11 -2.451 1.662 18.634 1.00 0.00 H
+ATOM 338 H4* T A 11 -4.766 2.847 18.632 1.00 0.00 H
+ATOM 339 H3* T A 11 -2.953 2.176 16.559 1.00 0.00 H
+ATOM 340 1H2* T A 11 -2.495 4.258 15.779 1.00 0.00 H
+ATOM 341 2H2* T A 11 -4.165 4.148 15.075 1.00 0.00 H
+ATOM 342 H1* T A 11 -5.080 5.439 16.719 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.656 9.597 16.002 1.00 0.00 H
+ATOM 344 1H5M T A 11 0.804 8.445 16.550 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.757 6.667 16.526 1.00 0.00 H
+ATOM 346 3H5M T A 11 0.561 7.538 18.049 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.372 5.540 17.168 1.00 0.00 H
+ATOM 348 P A A 12 -5.221 1.752 14.807 1.00 0.00 P
+ATOM 349 O1P A A 12 -6.125 0.574 14.792 1.00 0.00 O
+ATOM 350 O2P A A 12 -3.895 1.663 14.146 1.00 0.00 O
+ATOM 351 O5* A A 12 -6.010 3.023 14.225 1.00 0.00 O
+ATOM 352 C5* A A 12 -7.077 3.615 14.980 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.824 4.680 14.194 1.00 0.00 C
+ATOM 354 O4* A A 12 -7.144 5.958 14.280 1.00 0.00 O
+ATOM 355 C3* A A 12 -7.909 4.308 12.721 1.00 0.00 C
+ATOM 356 O3* A A 12 -9.231 4.514 12.212 1.00 0.00 O
+ATOM 357 C2* A A 12 -6.935 5.215 12.045 1.00 0.00 C
+ATOM 358 C1* A A 12 -6.790 6.408 12.952 1.00 0.00 C
+ATOM 359 N9 A A 12 -5.417 6.949 12.917 1.00 0.00 N
+ATOM 360 C8 A A 12 -4.226 6.316 13.057 1.00 0.00 C
+ATOM 361 N7 A A 12 -3.157 7.043 13.020 1.00 0.00 N
+ATOM 362 C5 A A 12 -3.693 8.321 12.830 1.00 0.00 C
+ATOM 363 C6 A A 12 -3.111 9.589 12.699 1.00 0.00 C
+ATOM 364 N6 A A 12 -1.795 9.805 12.753 1.00 0.00 N
+ATOM 365 N1 A A 12 -3.941 10.629 12.522 1.00 0.00 N
+ATOM 366 C2 A A 12 -5.257 10.448 12.476 1.00 0.00 C
+ATOM 367 N3 A A 12 -5.913 9.300 12.587 1.00 0.00 N
+ATOM 368 C4 A A 12 -5.067 8.268 12.764 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.670 4.100 15.857 1.00 0.00 H
+ATOM 370 2H5* A A 12 -7.769 2.818 15.287 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.830 4.786 14.598 1.00 0.00 H
+ATOM 372 H3* A A 12 -7.606 3.268 12.582 1.00 0.00 H
+ATOM 373 H1* A A 12 -7.490 7.183 12.639 1.00 0.00 H
+ATOM 374 H8 A A 12 -4.171 5.237 13.186 1.00 0.00 H
+ATOM 375 1H6 A A 12 -1.162 9.032 12.894 1.00 0.00 H
+ATOM 376 2H6 A A 12 -1.429 10.745 12.648 1.00 0.00 H
+ATOM 377 H2 A A 12 -5.861 11.340 12.337 1.00 0.00 H
+ATOM 378 1H2* A A 12 -5.967 4.711 11.933 1.00 0.00 H
+ATOM 379 2H2* A A 12 -7.341 5.533 11.081 1.00 0.00 H
+ATOM 380 P G A 13 -9.569 4.219 10.669 1.00 0.00 P
+ATOM 381 O1P G A 13 -10.964 3.722 10.568 1.00 0.00 O
+ATOM 382 O2P G A 13 -8.467 3.416 10.078 1.00 0.00 O
+ATOM 383 O5* G A 13 -9.502 5.712 10.074 1.00 0.00 O
+ATOM 384 C5* G A 13 -10.262 6.771 10.674 1.00 0.00 C
+ATOM 385 C4* G A 13 -10.106 8.098 9.939 1.00 0.00 C
+ATOM 386 O4* G A 13 -8.786 8.662 10.158 1.00 0.00 O
+ATOM 387 C3* G A 13 -10.275 7.918 8.438 1.00 0.00 C
+ATOM 388 O3* G A 13 -11.101 8.949 7.886 1.00 0.00 O
+ATOM 389 C2* G A 13 -8.891 8.009 7.886 1.00 0.00 C
+ATOM 390 C1* G A 13 -8.107 8.815 8.888 1.00 0.00 C
+ATOM 391 N9 G A 13 -6.709 8.354 8.973 1.00 0.00 N
+ATOM 392 C8 G A 13 -6.219 7.099 9.112 1.00 0.00 C
+ATOM 393 N7 G A 13 -4.941 6.963 9.220 1.00 0.00 N
+ATOM 394 C5 G A 13 -4.509 8.289 9.140 1.00 0.00 C
+ATOM 395 C6 G A 13 -3.197 8.821 9.193 1.00 0.00 C
+ATOM 396 O6 G A 13 -2.131 8.221 9.329 1.00 0.00 O
+ATOM 397 N1 G A 13 -3.206 10.202 9.073 1.00 0.00 N
+ATOM 398 C2 G A 13 -4.330 10.984 8.915 1.00 0.00 C
+ATOM 399 N2 G A 13 -4.124 12.296 8.784 1.00 0.00 N
+ATOM 400 N3 G A 13 -5.570 10.492 8.868 1.00 0.00 N
+ATOM 401 C4 G A 13 -5.588 9.146 8.985 1.00 0.00 C
+ATOM 402 1H5* G A 13 -9.915 6.931 11.687 1.00 0.00 H
+ATOM 403 2H5* G A 13 -11.321 6.472 10.690 1.00 0.00 H
+ATOM 404 H4* G A 13 -10.856 8.800 10.304 1.00 0.00 H
+ATOM 405 H3* G A 13 -10.699 6.935 8.226 1.00 0.00 H
+ATOM 406 H1* G A 13 -8.123 9.865 8.595 1.00 0.00 H
+ATOM 407 H8 G A 13 -6.878 6.234 9.115 1.00 0.00 H
+ATOM 408 H1 G A 13 -2.315 10.646 9.124 1.00 0.00 H
+ATOM 409 1H2 G A 13 -3.184 12.667 8.819 1.00 0.00 H
+ATOM 410 2H2 G A 13 -4.906 12.918 8.649 1.00 0.00 H
+ATOM 411 1H2* G A 13 -8.460 7.004 7.796 1.00 0.00 H
+ATOM 412 2H2* G A 13 -8.913 8.529 6.925 1.00 0.00 H
+ATOM 413 P G A 14 -11.390 9.003 6.307 1.00 0.00 P
+ATOM 414 O1P G A 14 -12.822 9.326 6.088 1.00 0.00 O
+ATOM 415 O2P G A 14 -10.812 7.792 5.669 1.00 0.00 O
+ATOM 416 O5* G A 14 -10.498 10.281 5.903 1.00 0.00 O
+ATOM 417 C5* G A 14 -10.655 11.527 6.598 1.00 0.00 C
+ATOM 418 C4* G A 14 -9.695 12.606 6.108 1.00 0.00 C
+ATOM 419 O4* G A 14 -8.331 12.331 6.524 1.00 0.00 O
+ATOM 420 C3* G A 14 -9.699 12.699 4.588 1.00 0.00 C
+ATOM 421 O3* G A 14 -9.858 14.054 4.155 1.00 0.00 O
+ATOM 422 C2* G A 14 -8.370 12.156 4.168 1.00 0.00 C
+ATOM 423 C1* G A 14 -7.466 12.306 5.364 1.00 0.00 C
+ATOM 424 N9 G A 14 -6.496 11.197 5.439 1.00 0.00 N
+ATOM 425 C8 G A 14 -6.712 9.862 5.468 1.00 0.00 C
+ATOM 426 N7 G A 14 -5.685 9.089 5.544 1.00 0.00 N
+ATOM 427 C5 G A 14 -4.640 10.014 5.568 1.00 0.00 C
+ATOM 428 C6 G A 14 -3.243 9.800 5.643 1.00 0.00 C
+ATOM 429 O6 G A 14 -2.637 8.733 5.710 1.00 0.00 O
+ATOM 430 N1 G A 14 -2.546 11.000 5.639 1.00 0.00 N
+ATOM 431 C2 G A 14 -3.115 12.253 5.569 1.00 0.00 C
+ATOM 432 N2 G A 14 -2.272 13.284 5.569 1.00 0.00 N
+ATOM 433 N3 G A 14 -4.431 12.464 5.499 1.00 0.00 N
+ATOM 434 C4 G A 14 -5.130 11.309 5.503 1.00 0.00 C
+ATOM 435 1H5* G A 14 -10.451 11.380 7.649 1.00 0.00 H
+ATOM 436 2H5* G A 14 -11.694 11.866 6.469 1.00 0.00 H
+ATOM 437 H4* G A 14 -10.002 13.566 6.522 1.00 0.00 H
+ATOM 438 H3* G A 14 -10.498 12.075 4.180 1.00 0.00 H
+ATOM 439 H1* G A 14 -6.929 13.252 5.293 1.00 0.00 H
+ATOM 440 H8 G A 14 -7.718 9.456 5.407 1.00 0.00 H
+ATOM 441 H1 G A 14 -1.553 10.927 5.697 1.00 0.00 H
+ATOM 442 1H2 G A 14 -1.276 13.122 5.619 1.00 0.00 H
+ATOM 443 2H2 G A 14 -2.629 14.227 5.521 1.00 0.00 H
+ATOM 444 1H2* G A 14 -8.468 11.095 3.906 1.00 0.00 H
+ATOM 445 2H2* G A 14 -7.981 12.746 3.333 1.00 0.00 H
+ATOM 446 P A A 15 -9.872 14.418 2.591 1.00 0.00 P
+ATOM 447 O1P A A 15 -10.717 15.621 2.385 1.00 0.00 O
+ATOM 448 O2P A A 15 -10.159 13.187 1.811 1.00 0.00 O
+ATOM 449 O5* A A 15 -8.329 14.822 2.384 1.00 0.00 O
+ATOM 450 C5* A A 15 -7.757 15.905 3.132 1.00 0.00 C
+ATOM 451 C4* A A 15 -6.352 16.267 2.666 1.00 0.00 C
+ATOM 452 O4* A A 15 -5.384 15.271 3.088 1.00 0.00 O
+ATOM 453 C3* A A 15 -6.283 16.352 1.147 1.00 0.00 C
+ATOM 454 O3* A A 15 -5.624 17.548 0.722 1.00 0.00 O
+ATOM 455 C2* A A 15 -5.504 15.149 0.731 1.00 0.00 C
+ATOM 456 C1* A A 15 -4.683 14.758 1.931 1.00 0.00 C
+ATOM 457 N9 A A 15 -4.519 13.297 2.002 1.00 0.00 N
+ATOM 458 C8 A A 15 -5.449 12.315 1.922 1.00 0.00 C
+ATOM 459 N7 A A 15 -5.037 11.096 2.004 1.00 0.00 N
+ATOM 460 C5 A A 15 -3.661 11.277 2.155 1.00 0.00 C
+ATOM 461 C6 A A 15 -2.600 10.384 2.299 1.00 0.00 C
+ATOM 462 N6 A A 15 -2.755 9.059 2.312 1.00 0.00 N
+ATOM 463 N1 A A 15 -1.372 10.906 2.425 1.00 0.00 N
+ATOM 464 C2 A A 15 -1.189 12.224 2.412 1.00 0.00 C
+ATOM 465 N3 A A 15 -2.117 13.160 2.280 1.00 0.00 N
+ATOM 466 C4 A A 15 -3.341 12.615 2.156 1.00 0.00 C
+ATOM 467 1H5* A A 15 -7.679 15.620 4.173 1.00 0.00 H
+ATOM 468 2H5* A A 15 -8.419 16.778 3.038 1.00 0.00 H
+ATOM 469 H4* A A 15 -6.074 17.231 3.090 1.00 0.00 H
+ATOM 470 H3* A A 15 -7.289 16.303 0.726 1.00 0.00 H
+ATOM 471 H1* A A 15 -3.701 15.229 1.864 1.00 0.00 H
+ATOM 472 H8 A A 15 -6.501 12.547 1.781 1.00 0.00 H
+ATOM 473 1H6 A A 15 -1.949 8.456 2.417 1.00 0.00 H
+ATOM 474 2H6 A A 15 -3.677 8.658 2.219 1.00 0.00 H
+ATOM 475 H2 A A 15 -0.165 12.572 2.528 1.00 0.00 H
+ATOM 476 1H2* A A 15 -6.190 14.335 0.468 1.00 0.00 H
+ATOM 477 2H2* A A 15 -4.844 15.409 -0.102 1.00 0.00 H
+ATOM 478 P T A 16 -5.398 17.836 -0.841 1.00 0.00 P
+ATOM 479 O1P T A 16 -5.436 19.302 -1.072 1.00 0.00 O
+ATOM 480 O2P T A 16 -6.293 16.951 -1.628 1.00 0.00 O
+ATOM 481 O5* T A 16 -3.882 17.322 -1.001 1.00 0.00 O
+ATOM 482 C5* T A 16 -2.838 17.907 -0.211 1.00 0.00 C
+ATOM 483 C4* T A 16 -1.452 17.388 -0.574 1.00 0.00 C
+ATOM 484 O4* T A 16 -1.281 16.003 -0.170 1.00 0.00 O
+ATOM 485 C3* T A 16 -1.207 17.463 -2.076 1.00 0.00 C
+ATOM 486 O3* T A 16 0.021 18.138 -2.365 1.00 0.00 O
+ATOM 487 C2* T A 16 -1.160 16.036 -2.531 1.00 0.00 C
+ATOM 488 C1* T A 16 -0.834 15.221 -1.300 1.00 0.00 C
+ATOM 489 N1 T A 16 -1.493 13.897 -1.332 1.00 0.00 N
+ATOM 490 C2 T A 16 -0.686 12.781 -1.194 1.00 0.00 C
+ATOM 491 O2 T A 16 0.530 12.869 -1.037 1.00 0.00 O
+ATOM 492 N3 T A 16 -1.328 11.558 -1.246 1.00 0.00 N
+ATOM 493 C4 T A 16 -2.685 11.356 -1.424 1.00 0.00 C
+ATOM 494 O4 T A 16 -3.150 10.219 -1.466 1.00 0.00 O
+ATOM 495 C5 T A 16 -3.447 12.577 -1.557 1.00 0.00 C
+ATOM 496 C5M T A 16 -4.957 12.501 -1.760 1.00 0.00 C
+ATOM 497 C6 T A 16 -2.847 13.782 -1.508 1.00 0.00 C
+ATOM 498 1H5* T A 16 -2.999 17.667 0.830 1.00 0.00 H
+ATOM 499 2H5* T A 16 -2.874 18.998 -0.347 1.00 0.00 H
+ATOM 500 H4* T A 16 -0.705 17.995 -0.065 1.00 0.00 H
+ATOM 501 H3* T A 16 -2.043 17.975 -2.561 1.00 0.00 H
+ATOM 502 1H2* T A 16 -2.137 15.741 -2.930 1.00 0.00 H
+ATOM 503 2H2* T A 16 -0.365 15.912 -3.277 1.00 0.00 H
+ATOM 504 H1* T A 16 0.246 15.085 -1.238 1.00 0.00 H
+ATOM 505 H3 T A 16 -0.760 10.742 -1.134 1.00 0.00 H
+ATOM 506 1H5M T A 16 -5.422 13.407 -1.376 1.00 0.00 H
+ATOM 507 2H5M T A 16 -5.352 11.634 -1.237 1.00 0.00 H
+ATOM 508 3H5M T A 16 -5.176 12.408 -2.814 1.00 0.00 H
+ATOM 509 H6 T A 16 -3.452 14.681 -1.599 1.00 0.00 H
+ATOM 510 H3T T A 16 0.690 17.465 -2.514 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
+MODEL 2
+ATOM 1 O5* A A 1 1.561 2.726 -1.697 1.00 0.00 O
+ATOM 2 C5* A A 1 2.829 2.825 -2.359 1.00 0.00 C
+ATOM 3 C4* A A 1 3.462 4.200 -2.194 1.00 0.00 C
+ATOM 4 O4* A A 1 2.560 5.243 -2.648 1.00 0.00 O
+ATOM 5 C3* A A 1 3.781 4.477 -0.731 1.00 0.00 C
+ATOM 6 O3* A A 1 5.094 5.029 -0.584 1.00 0.00 O
+ATOM 7 C2* A A 1 2.737 5.457 -0.301 1.00 0.00 C
+ATOM 8 C1* A A 1 2.283 6.151 -1.558 1.00 0.00 C
+ATOM 9 N9 A A 1 0.848 6.491 -1.492 1.00 0.00 N
+ATOM 10 C8 A A 1 -0.237 5.678 -1.480 1.00 0.00 C
+ATOM 11 N7 A A 1 -1.401 6.239 -1.436 1.00 0.00 N
+ATOM 12 C5 A A 1 -1.059 7.595 -1.415 1.00 0.00 C
+ATOM 13 C6 A A 1 -1.826 8.765 -1.368 1.00 0.00 C
+ATOM 14 N6 A A 1 -3.158 8.764 -1.339 1.00 0.00 N
+ATOM 15 N1 A A 1 -1.166 9.938 -1.359 1.00 0.00 N
+ATOM 16 C2 A A 1 0.168 9.961 -1.393 1.00 0.00 C
+ATOM 17 N3 A A 1 0.989 8.917 -1.439 1.00 0.00 N
+ATOM 18 C4 A A 1 0.306 7.756 -1.447 1.00 0.00 C
+ATOM 19 1H5* A A 1 2.696 2.666 -3.420 1.00 0.00 H
+ATOM 20 2H5* A A 1 3.496 2.053 -1.949 1.00 0.00 H
+ATOM 21 H4* A A 1 4.381 4.244 -2.778 1.00 0.00 H
+ATOM 22 H3* A A 1 3.688 3.557 -0.149 1.00 0.00 H
+ATOM 23 H1* A A 1 2.862 7.063 -1.695 1.00 0.00 H
+ATOM 24 H8 A A 1 -0.133 4.593 -1.507 1.00 0.00 H
+ATOM 25 1H6 A A 1 -3.662 9.639 -1.305 1.00 0.00 H
+ATOM 26 2H6 A A 1 -3.663 7.890 -1.351 1.00 0.00 H
+ATOM 27 H2 A A 1 0.636 10.945 -1.388 1.00 0.00 H
+ATOM 28 1H2* A A 1 1.895 4.923 0.154 1.00 0.00 H
+ATOM 29 2H2* A A 1 3.174 6.187 0.387 1.00 0.00 H
+ATOM 30 H5T A A 1 1.413 1.799 -1.498 1.00 0.00 H
+ATOM 31 P T A 2 5.695 5.323 0.876 1.00 0.00 P
+ATOM 32 O1P T A 2 7.178 5.343 0.790 1.00 0.00 O
+ATOM 33 O2P T A 2 5.038 4.421 1.855 1.00 0.00 O
+ATOM 34 O5* T A 2 5.165 6.822 1.109 1.00 0.00 O
+ATOM 35 C5* T A 2 5.389 7.839 0.122 1.00 0.00 C
+ATOM 36 C4* T A 2 5.073 9.238 0.633 1.00 0.00 C
+ATOM 37 O4* T A 2 3.685 9.593 0.383 1.00 0.00 O
+ATOM 38 C3* T A 2 5.302 9.343 2.138 1.00 0.00 C
+ATOM 39 O3* T A 2 6.091 10.492 2.461 1.00 0.00 O
+ATOM 40 C2* T A 2 3.936 9.473 2.722 1.00 0.00 C
+ATOM 41 C1* T A 2 3.081 10.040 1.619 1.00 0.00 C
+ATOM 42 N1 T A 2 1.668 9.614 1.741 1.00 0.00 N
+ATOM 43 C2 T A 2 0.717 10.612 1.818 1.00 0.00 C
+ATOM 44 O2 T A 2 1.014 11.805 1.782 1.00 0.00 O
+ATOM 45 N3 T A 2 -0.591 10.197 1.938 1.00 0.00 N
+ATOM 46 C4 T A 2 -1.031 8.888 1.985 1.00 0.00 C
+ATOM 47 O4 T A 2 -2.228 8.632 2.091 1.00 0.00 O
+ATOM 48 C5 T A 2 0.029 7.911 1.899 1.00 0.00 C
+ATOM 49 C5M T A 2 -0.319 6.426 1.938 1.00 0.00 C
+ATOM 50 C6 T A 2 1.319 8.291 1.783 1.00 0.00 C
+ATOM 51 1H5* T A 2 4.743 7.663 -0.727 1.00 0.00 H
+ATOM 52 2H5* T A 2 6.440 7.785 -0.198 1.00 0.00 H
+ATOM 53 H4* T A 2 5.717 9.955 0.125 1.00 0.00 H
+ATOM 54 H3* T A 2 5.782 8.436 2.508 1.00 0.00 H
+ATOM 55 1H2* T A 2 3.563 8.486 3.020 1.00 0.00 H
+ATOM 56 2H2* T A 2 3.966 10.166 3.564 1.00 0.00 H
+ATOM 57 H1* T A 2 3.133 11.129 1.661 1.00 0.00 H
+ATOM 58 H3 T A 2 -1.285 10.913 2.001 1.00 0.00 H
+ATOM 59 1H5M T A 2 -0.040 6.016 2.899 1.00 0.00 H
+ATOM 60 2H5M T A 2 0.227 5.906 1.161 1.00 0.00 H
+ATOM 61 3H5M T A 2 -1.390 6.297 1.787 1.00 0.00 H
+ATOM 62 H6 T A 2 2.095 7.531 1.728 1.00 0.00 H
+ATOM 63 P C A 3 6.426 10.842 3.994 1.00 0.00 P
+ATOM 64 O1P C A 3 7.828 11.324 4.085 1.00 0.00 O
+ATOM 65 O2P C A 3 5.992 9.707 4.848 1.00 0.00 O
+ATOM 66 O5* C A 3 5.426 12.082 4.228 1.00 0.00 O
+ATOM 67 C5* C A 3 5.304 13.122 3.243 1.00 0.00 C
+ATOM 68 C4* C A 3 4.390 14.259 3.688 1.00 0.00 C
+ATOM 69 O4* C A 3 2.993 13.902 3.514 1.00 0.00 O
+ATOM 70 C3* C A 3 4.599 14.590 5.162 1.00 0.00 C
+ATOM 71 O3* C A 3 4.736 16.000 5.373 1.00 0.00 O
+ATOM 72 C2* C A 3 3.375 14.071 5.843 1.00 0.00 C
+ATOM 73 C1* C A 3 2.303 13.989 4.783 1.00 0.00 C
+ATOM 74 N1 C A 3 1.440 12.808 4.992 1.00 0.00 N
+ATOM 75 C2 C A 3 0.078 13.013 5.132 1.00 0.00 C
+ATOM 76 O2 C A 3 -0.387 14.151 5.105 1.00 0.00 O
+ATOM 77 N3 C A 3 -0.716 11.925 5.304 1.00 0.00 N
+ATOM 78 C4 C A 3 -0.200 10.689 5.341 1.00 0.00 C
+ATOM 79 N4 C A 3 -1.010 9.644 5.512 1.00 0.00 N
+ATOM 80 C5 C A 3 1.203 10.477 5.199 1.00 0.00 C
+ATOM 81 C6 C A 3 1.980 11.559 5.031 1.00 0.00 C
+ATOM 82 1H5* C A 3 4.873 12.710 2.340 1.00 0.00 H
+ATOM 83 2H5* C A 3 6.308 13.514 3.024 1.00 0.00 H
+ATOM 84 H4* C A 3 4.604 15.144 3.089 1.00 0.00 H
+ATOM 85 H3* C A 3 5.479 14.064 5.535 1.00 0.00 H
+ATOM 86 H1* C A 3 1.697 14.894 4.806 1.00 0.00 H
+ATOM 87 1H4 C A 3 -2.004 9.785 5.614 1.00 0.00 H
+ATOM 88 2H4 C A 3 -0.628 8.712 5.541 1.00 0.00 H
+ATOM 89 H5 C A 3 1.627 9.472 5.216 1.00 0.00 H
+ATOM 90 H6 C A 3 3.055 11.441 4.943 1.00 0.00 H
+ATOM 91 1H2* C A 3 3.573 13.077 6.258 1.00 0.00 H
+ATOM 92 2H2* C A 3 3.069 14.776 6.618 1.00 0.00 H
+ATOM 93 P C A 4 4.963 16.578 6.857 1.00 0.00 P
+ATOM 94 O1P C A 4 5.677 17.877 6.767 1.00 0.00 O
+ATOM 95 O2P C A 4 5.524 15.500 7.711 1.00 0.00 O
+ATOM 96 O5* C A 4 3.441 16.850 7.297 1.00 0.00 O
+ATOM 97 C5* C A 4 2.526 17.486 6.394 1.00 0.00 C
+ATOM 98 C4* C A 4 1.151 17.710 7.010 1.00 0.00 C
+ATOM 99 O4* C A 4 0.322 16.520 6.904 1.00 0.00 O
+ATOM 100 C3* C A 4 1.256 18.059 8.491 1.00 0.00 C
+ATOM 101 O3* C A 4 0.510 19.240 8.801 1.00 0.00 O
+ATOM 102 C2* C A 4 0.691 16.877 9.207 1.00 0.00 C
+ATOM 103 C1* C A 4 -0.194 16.177 8.212 1.00 0.00 C
+ATOM 104 N1 C A 4 -0.216 14.710 8.433 1.00 0.00 N
+ATOM 105 C2 C A 4 -1.455 14.110 8.592 1.00 0.00 C
+ATOM 106 O2 C A 4 -2.481 14.788 8.572 1.00 0.00 O
+ATOM 107 N3 C A 4 -1.499 12.766 8.772 1.00 0.00 N
+ATOM 108 C4 C A 4 -0.381 12.030 8.798 1.00 0.00 C
+ATOM 109 N4 C A 4 -0.464 10.706 8.966 1.00 0.00 N
+ATOM 110 C5 C A 4 0.900 12.641 8.639 1.00 0.00 C
+ATOM 111 C6 C A 4 0.937 13.975 8.462 1.00 0.00 C
+ATOM 112 1H5* C A 4 2.382 16.857 5.527 1.00 0.00 H
+ATOM 113 2H5* C A 4 2.959 18.448 6.084 1.00 0.00 H
+ATOM 114 H4* C A 4 0.658 18.529 6.487 1.00 0.00 H
+ATOM 115 H3* C A 4 2.304 18.190 8.767 1.00 0.00 H
+ATOM 116 H1* C A 4 -1.206 16.568 8.305 1.00 0.00 H
+ATOM 117 1H4 C A 4 0.375 10.147 8.979 1.00 0.00 H
+ATOM 118 2H4 C A 4 -1.364 10.264 9.086 1.00 0.00 H
+ATOM 119 H5 C A 4 1.813 12.048 8.654 1.00 0.00 H
+ATOM 120 H6 C A 4 1.897 14.472 8.354 1.00 0.00 H
+ATOM 121 1H2* C A 4 1.501 16.214 9.527 1.00 0.00 H
+ATOM 122 2H2* C A 4 0.092 17.219 10.052 1.00 0.00 H
+ATOM 123 P T A 5 0.431 19.778 10.314 1.00 0.00 P
+ATOM 124 O1P T A 5 0.446 21.263 10.302 1.00 0.00 O
+ATOM 125 O2P T A 5 1.428 19.047 11.138 1.00 0.00 O
+ATOM 126 O5* T A 5 -1.042 19.271 10.710 1.00 0.00 O
+ATOM 127 C5* T A 5 -2.131 19.447 9.794 1.00 0.00 C
+ATOM 128 C4* T A 5 -3.416 18.774 10.258 1.00 0.00 C
+ATOM 129 O4* T A 5 -3.311 17.326 10.198 1.00 0.00 O
+ATOM 130 C3* T A 5 -3.752 19.151 11.695 1.00 0.00 C
+ATOM 131 O3* T A 5 -5.104 19.609 11.807 1.00 0.00 O
+ATOM 132 C2* T A 5 -3.541 17.892 12.480 1.00 0.00 C
+ATOM 133 C1* T A 5 -3.636 16.759 11.488 1.00 0.00 C
+ATOM 134 N1 T A 5 -2.710 15.654 11.828 1.00 0.00 N
+ATOM 135 C2 T A 5 -3.251 14.387 11.984 1.00 0.00 C
+ATOM 136 O2 T A 5 -4.461 14.181 11.927 1.00 0.00 O
+ATOM 137 N3 T A 5 -2.346 13.364 12.222 1.00 0.00 N
+ATOM 138 C4 T A 5 -0.975 13.497 12.319 1.00 0.00 C
+ATOM 139 O4 T A 5 -0.268 12.511 12.524 1.00 0.00 O
+ATOM 140 C5 T A 5 -0.501 14.853 12.150 1.00 0.00 C
+ATOM 141 C5M T A 5 0.997 15.140 12.208 1.00 0.00 C
+ATOM 142 C6 T A 5 -1.363 15.868 11.921 1.00 0.00 C
+ATOM 143 1H5* T A 5 -1.871 19.002 8.843 1.00 0.00 H
+ATOM 144 2H5* T A 5 -2.301 20.526 9.660 1.00 0.00 H
+ATOM 145 H4* T A 5 -4.234 19.092 9.611 1.00 0.00 H
+ATOM 146 H3* T A 5 -3.062 19.922 12.045 1.00 0.00 H
+ATOM 147 1H2* T A 5 -2.549 17.905 12.946 1.00 0.00 H
+ATOM 148 2H2* T A 5 -4.337 17.792 13.225 1.00 0.00 H
+ATOM 149 H1* T A 5 -4.659 16.380 11.469 1.00 0.00 H
+ATOM 150 H3 T A 5 -2.718 12.438 12.330 1.00 0.00 H
+ATOM 151 1H5M T A 5 1.533 14.392 11.633 1.00 0.00 H
+ATOM 152 2H5M T A 5 1.333 15.105 13.233 1.00 0.00 H
+ATOM 153 3H5M T A 5 1.196 16.130 11.796 1.00 0.00 H
+ATOM 154 H6 T A 5 -0.979 16.881 11.832 1.00 0.00 H
+ATOM 155 P A A 6 -5.606 20.358 13.136 1.00 0.00 P
+ATOM 156 O1P A A 6 -6.622 21.375 12.763 1.00 0.00 O
+ATOM 157 O2P A A 6 -4.423 20.772 13.933 1.00 0.00 O
+ATOM 158 O5* A A 6 -6.338 19.142 13.884 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.516 18.548 13.324 1.00 0.00 C
+ATOM 160 C4* A A 6 -7.991 17.346 14.123 1.00 0.00 C
+ATOM 161 O4* A A 6 -7.074 16.228 13.973 1.00 0.00 O
+ATOM 162 C3* A A 6 -8.071 17.679 15.611 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.326 17.263 16.170 1.00 0.00 O
+ATOM 164 C2* A A 6 -6.939 16.916 16.221 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.672 15.775 15.282 1.00 0.00 C
+ATOM 166 N9 A A 6 -5.260 15.359 15.333 1.00 0.00 N
+ATOM 167 C8 A A 6 -4.124 16.099 15.353 1.00 0.00 C
+ATOM 168 N7 A A 6 -3.006 15.467 15.496 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.444 14.143 15.584 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.773 12.928 15.751 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.451 12.837 15.887 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.519 11.811 15.792 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.848 11.883 15.677 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.579 12.973 15.520 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.812 14.075 15.481 1.00 0.00 C
+ATOM 176 1H5* A A 6 -7.303 18.197 12.325 1.00 0.00 H
+ATOM 177 2H5* A A 6 -8.308 19.312 13.288 1.00 0.00 H
+ATOM 178 H4* A A 6 -8.976 17.046 13.768 1.00 0.00 H
+ATOM 179 H3* A A 6 -7.921 18.750 15.762 1.00 0.00 H
+ATOM 180 H1* A A 6 -7.301 14.930 15.568 1.00 0.00 H
+ATOM 181 H8 A A 6 -4.151 17.182 15.267 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.883 13.671 15.871 1.00 0.00 H
+ATOM 183 2H6 A A 6 -1.019 11.934 16.009 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.392 10.944 15.710 1.00 0.00 H
+ATOM 185 1H2* A A 6 -6.052 17.558 16.287 1.00 0.00 H
+ATOM 186 2H2* A A 6 -7.232 16.528 17.197 1.00 0.00 H
+ATOM 187 P G A 7 -9.975 18.045 17.417 1.00 0.00 P
+ATOM 188 O1P G A 7 -11.403 18.323 17.119 1.00 0.00 O
+ATOM 189 O2P G A 7 -9.082 19.172 17.793 1.00 0.00 O
+ATOM 190 O5* G A 7 -9.889 16.908 18.555 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.243 15.547 18.263 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.636 14.551 19.258 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.233 14.333 18.965 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.725 15.028 20.716 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.235 14.002 21.571 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.321 15.371 21.094 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.435 14.611 20.139 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.235 15.397 19.793 1.00 0.00 N
+ATOM 199 C8 G A 7 -6.122 16.706 19.452 1.00 0.00 C
+ATOM 200 N7 G A 7 -4.941 17.158 19.198 1.00 0.00 N
+ATOM 201 C5 G A 7 -4.152 16.020 19.388 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.747 15.855 19.262 1.00 0.00 C
+ATOM 203 O6 G A 7 -1.906 16.696 18.954 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.360 14.552 19.543 1.00 0.00 N
+ATOM 205 C2 G A 7 -3.212 13.529 19.899 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.647 12.345 20.120 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.536 13.673 20.022 1.00 0.00 N
+ATOM 208 C4 G A 7 -4.938 14.936 19.753 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.858 15.281 17.290 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.343 15.461 18.247 1.00 0.00 H
+ATOM 211 H4* G A 7 -10.161 13.601 19.167 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.346 15.924 20.792 1.00 0.00 H
+ATOM 213 H1* G A 7 -7.129 13.670 20.600 1.00 0.00 H
+ATOM 214 H8 G A 7 -6.997 17.353 19.395 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.371 14.359 19.470 1.00 0.00 H
+ATOM 216 1H2 G A 7 -3.217 11.554 20.378 1.00 0.00 H
+ATOM 217 2H2 G A 7 -1.647 12.239 20.032 1.00 0.00 H
+ATOM 218 1H2* G A 7 -8.160 16.449 20.990 1.00 0.00 H
+ATOM 219 2H2* G A 7 -8.128 15.034 22.118 1.00 0.00 H
+ATOM 220 P T A 8 -10.398 14.272 23.145 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.662 13.646 23.614 1.00 0.00 O
+ATOM 222 O2P T A 8 -10.162 15.715 23.409 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.152 13.427 23.712 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.208 11.993 23.754 1.00 0.00 C
+ATOM 225 C4* T A 8 -7.829 11.349 23.891 1.00 0.00 C
+ATOM 226 O4* T A 8 -6.819 12.134 23.211 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.403 11.228 25.353 1.00 0.00 C
+ATOM 228 O3* T A 8 -6.917 9.908 25.641 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.311 12.237 25.511 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.751 12.458 24.127 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.293 13.850 23.952 1.00 0.00 N
+ATOM 232 C2 T A 8 -3.980 14.043 23.563 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.215 13.105 23.354 1.00 0.00 O
+ATOM 234 N3 T A 8 -3.578 15.358 23.419 1.00 0.00 N
+ATOM 235 C4 T A 8 -4.363 16.478 23.628 1.00 0.00 C
+ATOM 236 O4 T A 8 -3.900 17.605 23.471 1.00 0.00 O
+ATOM 237 C5 T A 8 -5.718 16.178 24.031 1.00 0.00 C
+ATOM 238 C5M T A 8 -6.692 17.317 24.307 1.00 0.00 C
+ATOM 239 C6 T A 8 -6.135 14.906 24.176 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.631 11.628 22.829 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.852 11.695 24.593 1.00 0.00 H
+ATOM 242 H4* T A 8 -7.859 10.354 23.447 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.237 11.478 26.011 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.729 13.173 25.900 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.537 11.843 26.166 1.00 0.00 H
+ATOM 246 H1* T A 8 -4.907 11.771 23.960 1.00 0.00 H
+ATOM 247 H3 T A 8 -2.622 15.516 23.135 1.00 0.00 H
+ATOM 248 1H5M T A 8 -6.926 17.832 23.375 1.00 0.00 H
+ATOM 249 2H5M T A 8 -6.240 18.019 25.007 1.00 0.00 H
+ATOM 250 3H5M T A 8 -7.607 16.912 24.739 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.166 14.716 24.472 1.00 0.00 H
+ATOM 252 P T A 9 -6.612 9.451 27.154 1.00 0.00 P
+ATOM 253 O1P T A 9 -6.553 7.967 27.207 1.00 0.00 O
+ATOM 254 O2P T A 9 -7.534 10.170 28.069 1.00 0.00 O
+ATOM 255 O5* T A 9 -5.127 10.040 27.345 1.00 0.00 O
+ATOM 256 C5* T A 9 -3.985 9.366 26.792 1.00 0.00 C
+ATOM 257 C4* T A 9 -3.196 10.251 25.832 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.346 11.653 26.173 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.707 9.932 25.876 1.00 0.00 C
+ATOM 260 O3* T A 9 -1.170 9.831 24.554 1.00 0.00 O
+ATOM 261 C2* T A 9 -1.095 11.081 26.619 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.053 12.234 26.452 1.00 0.00 C
+ATOM 263 N1 T A 9 -2.106 13.067 27.670 1.00 0.00 N
+ATOM 264 C2 T A 9 -1.776 14.404 27.543 1.00 0.00 C
+ATOM 265 O2 T A 9 -1.427 14.893 26.472 1.00 0.00 O
+ATOM 266 N3 T A 9 -1.864 15.162 28.696 1.00 0.00 N
+ATOM 267 C4 T A 9 -2.247 14.706 29.945 1.00 0.00 C
+ATOM 268 O4 T A 9 -2.293 15.471 30.906 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.571 13.297 29.980 1.00 0.00 C
+ATOM 270 C5M T A 9 -3.022 12.665 31.292 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.492 12.536 28.871 1.00 0.00 C
+ATOM 272 1H5* T A 9 -4.316 8.506 26.226 1.00 0.00 H
+ATOM 273 2H5* T A 9 -3.342 9.036 27.622 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.561 10.093 24.817 1.00 0.00 H
+ATOM 275 H3* T A 9 -1.539 9.004 26.426 1.00 0.00 H
+ATOM 276 1H2* T A 9 -0.998 10.829 27.682 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.125 11.337 26.174 1.00 0.00 H
+ATOM 278 H1* T A 9 -1.739 12.846 25.607 1.00 0.00 H
+ATOM 279 H3 T A 9 -1.626 16.141 28.620 1.00 0.00 H
+ATOM 280 1H5M T A 9 -3.703 11.839 31.083 1.00 0.00 H
+ATOM 281 2H5M T A 9 -3.534 13.412 31.898 1.00 0.00 H
+ATOM 282 3H5M T A 9 -2.154 12.290 31.834 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.731 11.475 28.932 1.00 0.00 H
+ATOM 284 P A A 10 -0.210 8.610 24.157 1.00 0.00 P
+ATOM 285 O1P A A 10 0.629 8.257 25.330 1.00 0.00 O
+ATOM 286 O2P A A 10 0.449 8.915 22.862 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.299 7.451 23.928 1.00 0.00 O
+ATOM 288 C5* A A 10 -0.895 6.079 23.996 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.575 5.203 22.947 1.00 0.00 C
+ATOM 290 O4* A A 10 -2.820 5.805 22.513 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.686 5.076 21.717 1.00 0.00 C
+ATOM 292 O3* A A 10 -0.892 3.821 21.062 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.145 6.198 20.858 1.00 0.00 C
+ATOM 294 C1* A A 10 -2.605 6.376 21.213 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.072 7.768 21.182 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.379 8.914 21.323 1.00 0.00 C
+ATOM 297 N7 A A 10 -3.042 10.016 21.385 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.355 9.555 21.291 1.00 0.00 C
+ATOM 299 C6 A A 10 -5.587 10.209 21.289 1.00 0.00 C
+ATOM 300 N6 A A 10 -5.702 11.535 21.328 1.00 0.00 N
+ATOM 301 N1 A A 10 -6.693 9.450 21.185 1.00 0.00 N
+ATOM 302 C2 A A 10 -6.592 8.124 21.084 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.475 7.403 21.070 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.384 8.189 21.179 1.00 0.00 C
+ATOM 305 1H5* A A 10 -1.188 5.698 24.946 1.00 0.00 H
+ATOM 306 2H5* A A 10 0.198 6.029 23.902 1.00 0.00 H
+ATOM 307 H4* A A 10 -1.773 4.216 23.363 1.00 0.00 H
+ATOM 308 H3* A A 10 0.366 5.206 21.980 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.187 5.815 20.496 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.320 8.893 21.504 1.00 0.00 H
+ATOM 311 1H6 A A 10 -6.617 11.963 21.325 1.00 0.00 H
+ATOM 312 2H6 A A 10 -4.875 12.113 21.358 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.527 7.571 21.002 1.00 0.00 H
+ATOM 314 1H2* A A 10 -0.572 7.094 21.094 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.048 5.919 19.800 1.00 0.00 H
+ATOM 316 P T A 11 -0.132 3.481 19.691 1.00 0.00 P
+ATOM 317 O1P T A 11 0.355 2.079 19.742 1.00 0.00 O
+ATOM 318 O2P T A 11 0.820 4.576 19.380 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.374 3.565 18.676 1.00 0.00 O
+ATOM 320 C5* T A 11 -2.510 2.712 18.865 1.00 0.00 C
+ATOM 321 C4* T A 11 -3.769 3.237 18.189 1.00 0.00 C
+ATOM 322 O4* T A 11 -3.867 4.684 18.295 1.00 0.00 O
+ATOM 323 C3* T A 11 -3.797 2.890 16.706 1.00 0.00 C
+ATOM 324 O3* T A 11 -5.041 2.280 16.346 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.626 4.196 16.000 1.00 0.00 C
+ATOM 326 C1* T A 11 -4.064 5.251 16.978 1.00 0.00 C
+ATOM 327 N1 T A 11 -3.299 6.502 16.794 1.00 0.00 N
+ATOM 328 C2 T A 11 -4.007 7.633 16.438 1.00 0.00 C
+ATOM 329 O2 T A 11 -5.226 7.621 16.286 1.00 0.00 O
+ATOM 330 N3 T A 11 -3.265 8.782 16.262 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.894 8.901 16.415 1.00 0.00 C
+ATOM 332 O4 T A 11 -1.334 9.983 16.246 1.00 0.00 O
+ATOM 333 C5 T A 11 -1.239 7.668 16.789 1.00 0.00 C
+ATOM 334 C5M T A 11 0.272 7.655 16.988 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.941 6.532 16.963 1.00 0.00 C
+ATOM 336 1H5* T A 11 -2.730 2.644 19.922 1.00 0.00 H
+ATOM 337 2H5* T A 11 -2.265 1.713 18.477 1.00 0.00 H
+ATOM 338 H4* T A 11 -4.639 2.793 18.671 1.00 0.00 H
+ATOM 339 H3* T A 11 -2.965 2.225 16.464 1.00 0.00 H
+ATOM 340 1H2* T A 11 -2.570 4.343 15.741 1.00 0.00 H
+ATOM 341 2H2* T A 11 -4.267 4.220 15.115 1.00 0.00 H
+ATOM 342 H1* T A 11 -5.127 5.452 16.832 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.766 9.606 15.984 1.00 0.00 H
+ATOM 344 1H5M T A 11 0.669 6.681 16.710 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.502 7.850 18.027 1.00 0.00 H
+ATOM 346 3H5M T A 11 0.728 8.427 16.372 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.416 5.617 17.239 1.00 0.00 H
+ATOM 348 P A A 12 -5.343 1.869 14.823 1.00 0.00 P
+ATOM 349 O1P A A 12 -6.222 0.672 14.808 1.00 0.00 O
+ATOM 350 O2P A A 12 -4.065 1.843 14.067 1.00 0.00 O
+ATOM 351 O5* A A 12 -6.199 3.150 14.362 1.00 0.00 O
+ATOM 352 C5* A A 12 -7.222 3.678 15.219 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.963 4.857 14.604 1.00 0.00 C
+ATOM 354 O4* A A 12 -7.191 6.081 14.714 1.00 0.00 O
+ATOM 355 C3* A A 12 -8.240 4.625 13.125 1.00 0.00 C
+ATOM 356 O3* A A 12 -9.609 4.897 12.808 1.00 0.00 O
+ATOM 357 C2* A A 12 -7.334 5.577 12.412 1.00 0.00 C
+ATOM 358 C1* A A 12 -7.024 6.668 13.402 1.00 0.00 C
+ATOM 359 N9 A A 12 -5.657 7.204 13.216 1.00 0.00 N
+ATOM 360 C8 A A 12 -4.459 6.572 13.259 1.00 0.00 C
+ATOM 361 N7 A A 12 -3.397 7.295 13.115 1.00 0.00 N
+ATOM 362 C5 A A 12 -3.945 8.571 12.948 1.00 0.00 C
+ATOM 363 C6 A A 12 -3.373 9.834 12.739 1.00 0.00 C
+ATOM 364 N6 A A 12 -2.058 10.044 12.677 1.00 0.00 N
+ATOM 365 N1 A A 12 -4.211 10.876 12.614 1.00 0.00 N
+ATOM 366 C2 A A 12 -5.527 10.698 12.688 1.00 0.00 C
+ATOM 367 N3 A A 12 -6.175 9.554 12.881 1.00 0.00 N
+ATOM 368 C4 A A 12 -5.320 8.522 13.005 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.771 4.036 16.135 1.00 0.00 H
+ATOM 370 2H5* A A 12 -7.931 2.869 15.451 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.910 4.991 15.125 1.00 0.00 H
+ATOM 372 H3* A A 12 -7.985 3.597 12.856 1.00 0.00 H
+ATOM 373 H1* A A 12 -7.745 7.476 13.278 1.00 0.00 H
+ATOM 374 H8 A A 12 -4.393 5.495 13.390 1.00 0.00 H
+ATOM 375 1H6 A A 12 -1.702 10.981 12.522 1.00 0.00 H
+ATOM 376 2H6 A A 12 -1.417 9.273 12.787 1.00 0.00 H
+ATOM 377 H2 A A 12 -6.140 11.591 12.581 1.00 0.00 H
+ATOM 378 1H2* A A 12 -6.409 5.065 12.117 1.00 0.00 H
+ATOM 379 2H2* A A 12 -7.857 5.999 11.549 1.00 0.00 H
+ATOM 380 P G A 13 -10.140 4.751 11.299 1.00 0.00 P
+ATOM 381 O1P G A 13 -11.568 4.346 11.325 1.00 0.00 O
+ATOM 382 O2P G A 13 -9.167 3.940 10.523 1.00 0.00 O
+ATOM 383 O5* G A 13 -10.042 6.284 10.818 1.00 0.00 O
+ATOM 384 C5* G A 13 -10.518 7.343 11.662 1.00 0.00 C
+ATOM 385 C4* G A 13 -10.457 8.707 10.985 1.00 0.00 C
+ATOM 386 O4* G A 13 -9.110 9.246 11.020 1.00 0.00 O
+ATOM 387 C3* G A 13 -10.864 8.604 9.524 1.00 0.00 C
+ATOM 388 O3* G A 13 -11.731 9.682 9.155 1.00 0.00 O
+ATOM 389 C2* G A 13 -9.580 8.688 8.770 1.00 0.00 C
+ATOM 390 C1* G A 13 -8.628 9.435 9.667 1.00 0.00 C
+ATOM 391 N9 G A 13 -7.248 8.939 9.521 1.00 0.00 N
+ATOM 392 C8 G A 13 -6.781 7.668 9.555 1.00 0.00 C
+ATOM 393 N7 G A 13 -5.507 7.494 9.474 1.00 0.00 N
+ATOM 394 C5 G A 13 -5.050 8.808 9.368 1.00 0.00 C
+ATOM 395 C6 G A 13 -3.727 9.300 9.246 1.00 0.00 C
+ATOM 396 O6 G A 13 -2.675 8.667 9.214 1.00 0.00 O
+ATOM 397 N1 G A 13 -3.707 10.681 9.162 1.00 0.00 N
+ATOM 398 C2 G A 13 -4.815 11.501 9.187 1.00 0.00 C
+ATOM 399 N2 G A 13 -4.583 12.808 9.054 1.00 0.00 N
+ATOM 400 N3 G A 13 -6.066 11.049 9.307 1.00 0.00 N
+ATOM 401 C4 G A 13 -6.112 9.700 9.392 1.00 0.00 C
+ATOM 402 1H5* G A 13 -9.897 7.404 12.544 1.00 0.00 H
+ATOM 403 2H5* G A 13 -11.554 7.115 11.953 1.00 0.00 H
+ATOM 404 H4* G A 13 -11.129 9.394 11.500 1.00 0.00 H
+ATOM 405 H3* G A 13 -11.346 7.644 9.336 1.00 0.00 H
+ATOM 406 H1* G A 13 -8.657 10.497 9.419 1.00 0.00 H
+ATOM 407 H8 G A 13 -7.461 6.822 9.623 1.00 0.00 H
+ATOM 408 H1 G A 13 -2.802 11.097 9.095 1.00 0.00 H
+ATOM 409 1H2 G A 13 -5.354 13.459 9.043 1.00 0.00 H
+ATOM 410 2H2 G A 13 -3.635 13.146 8.949 1.00 0.00 H
+ATOM 411 1H2* G A 13 -9.197 7.679 8.575 1.00 0.00 H
+ATOM 412 2H2* G A 13 -9.738 9.245 7.847 1.00 0.00 H
+ATOM 413 P G A 14 -12.255 9.829 7.643 1.00 0.00 P
+ATOM 414 O1P G A 14 -13.701 10.164 7.664 1.00 0.00 O
+ATOM 415 O2P G A 14 -11.790 8.659 6.857 1.00 0.00 O
+ATOM 416 O5* G A 14 -11.425 11.130 7.183 1.00 0.00 O
+ATOM 417 C5* G A 14 -11.482 12.337 7.960 1.00 0.00 C
+ATOM 418 C4* G A 14 -10.610 13.453 7.388 1.00 0.00 C
+ATOM 419 O4* G A 14 -9.198 13.152 7.550 1.00 0.00 O
+ATOM 420 C3* G A 14 -10.870 13.644 5.901 1.00 0.00 C
+ATOM 421 O3* G A 14 -11.041 15.028 5.578 1.00 0.00 O
+ATOM 422 C2* G A 14 -9.654 13.083 5.231 1.00 0.00 C
+ATOM 423 C1* G A 14 -8.549 13.140 6.256 1.00 0.00 C
+ATOM 424 N9 G A 14 -7.651 11.975 6.125 1.00 0.00 N
+ATOM 425 C8 G A 14 -7.950 10.659 6.157 1.00 0.00 C
+ATOM 426 N7 G A 14 -6.981 9.818 6.055 1.00 0.00 N
+ATOM 427 C5 G A 14 -5.884 10.671 5.928 1.00 0.00 C
+ATOM 428 C6 G A 14 -4.510 10.361 5.773 1.00 0.00 C
+ATOM 429 O6 G A 14 -3.978 9.254 5.725 1.00 0.00 O
+ATOM 430 N1 G A 14 -3.742 11.508 5.678 1.00 0.00 N
+ATOM 431 C2 G A 14 -4.221 12.800 5.722 1.00 0.00 C
+ATOM 432 N2 G A 14 -3.316 13.770 5.592 1.00 0.00 N
+ATOM 433 N3 G A 14 -5.514 13.103 5.871 1.00 0.00 N
+ATOM 434 C4 G A 14 -6.287 11.998 5.967 1.00 0.00 C
+ATOM 435 1H5* G A 14 -11.121 12.138 8.959 1.00 0.00 H
+ATOM 436 2H5* G A 14 -12.530 12.669 8.006 1.00 0.00 H
+ATOM 437 H4* G A 14 -10.835 14.382 7.911 1.00 0.00 H
+ATOM 438 H3* G A 14 -11.751 13.073 5.603 1.00 0.00 H
+ATOM 439 H1* G A 14 -7.977 14.058 6.125 1.00 0.00 H
+ATOM 440 H8 G A 14 -8.979 10.323 6.230 1.00 0.00 H
+ATOM 441 H1 G A 14 -2.760 11.361 5.576 1.00 0.00 H
+ATOM 442 1H2 G A 14 -3.607 14.735 5.608 1.00 0.00 H
+ATOM 443 2H2 G A 14 -2.339 13.538 5.469 1.00 0.00 H
+ATOM 444 1H2* G A 14 -9.839 12.041 4.942 1.00 0.00 H
+ATOM 445 2H2* G A 14 -9.391 13.701 4.367 1.00 0.00 H
+ATOM 446 P A A 15 -11.319 15.485 4.063 1.00 0.00 P
+ATOM 447 O1P A A 15 -12.058 16.774 4.077 1.00 0.00 O
+ATOM 448 O2P A A 15 -11.880 14.336 3.307 1.00 0.00 O
+ATOM 449 O5* A A 15 -9.815 15.751 3.567 1.00 0.00 O
+ATOM 450 C5* A A 15 -9.171 17.001 3.848 1.00 0.00 C
+ATOM 451 C4* A A 15 -7.839 17.157 3.126 1.00 0.00 C
+ATOM 452 O4* A A 15 -6.928 16.070 3.448 1.00 0.00 O
+ATOM 453 C3* A A 15 -8.032 17.153 1.613 1.00 0.00 C
+ATOM 454 O3* A A 15 -7.357 18.255 0.998 1.00 0.00 O
+ATOM 455 C2* A A 15 -7.445 15.863 1.153 1.00 0.00 C
+ATOM 456 C1* A A 15 -6.467 15.454 2.222 1.00 0.00 C
+ATOM 457 N9 A A 15 -6.399 13.987 2.330 1.00 0.00 N
+ATOM 458 C8 A A 15 -7.402 13.078 2.397 1.00 0.00 C
+ATOM 459 N7 A A 15 -7.075 11.830 2.405 1.00 0.00 N
+ATOM 460 C5 A A 15 -5.681 11.906 2.341 1.00 0.00 C
+ATOM 461 C6 A A 15 -4.681 10.933 2.313 1.00 0.00 C
+ATOM 462 N6 A A 15 -4.933 9.625 2.323 1.00 0.00 N
+ATOM 463 N1 A A 15 -3.410 11.359 2.253 1.00 0.00 N
+ATOM 464 C2 A A 15 -3.133 12.665 2.220 1.00 0.00 C
+ATOM 465 N3 A A 15 -3.998 13.668 2.237 1.00 0.00 N
+ATOM 466 C4 A A 15 -5.265 13.216 2.300 1.00 0.00 C
+ATOM 467 1H5* A A 15 -8.965 17.068 4.908 1.00 0.00 H
+ATOM 468 2H5* A A 15 -9.854 17.813 3.555 1.00 0.00 H
+ATOM 469 H4* A A 15 -7.382 18.099 3.423 1.00 0.00 H
+ATOM 470 H3* A A 15 -9.097 17.181 1.374 1.00 0.00 H
+ATOM 471 H1* A A 15 -5.480 15.844 1.975 1.00 0.00 H
+ATOM 472 H8 A A 15 -8.443 13.390 2.447 1.00 0.00 H
+ATOM 473 1H6 A A 15 -5.887 9.295 2.354 1.00 0.00 H
+ATOM 474 2H6 A A 15 -4.170 8.964 2.294 1.00 0.00 H
+ATOM 475 H2 A A 15 -2.080 12.939 2.186 1.00 0.00 H
+ATOM 476 1H2* A A 15 -8.235 15.107 1.063 1.00 0.00 H
+ATOM 477 2H2* A A 15 -6.921 16.014 0.205 1.00 0.00 H
+ATOM 478 P T A 16 -7.381 18.428 -0.598 1.00 0.00 P
+ATOM 479 O1P T A 16 -7.500 19.872 -0.925 1.00 0.00 O
+ATOM 480 O2P T A 16 -8.357 17.469 -1.173 1.00 0.00 O
+ATOM 481 O5* T A 16 -5.891 17.934 -0.952 1.00 0.00 O
+ATOM 482 C5* T A 16 -4.759 18.651 -0.440 1.00 0.00 C
+ATOM 483 C4* T A 16 -3.426 17.966 -0.725 1.00 0.00 C
+ATOM 484 O4* T A 16 -3.395 16.601 -0.225 1.00 0.00 O
+ATOM 485 C3* T A 16 -3.137 17.911 -2.221 1.00 0.00 C
+ATOM 486 O3* T A 16 -1.859 18.484 -2.519 1.00 0.00 O
+ATOM 487 C2* T A 16 -3.168 16.452 -2.567 1.00 0.00 C
+ATOM 488 C1* T A 16 -2.922 15.722 -1.272 1.00 0.00 C
+ATOM 489 N1 T A 16 -3.613 14.415 -1.248 1.00 0.00 N
+ATOM 490 C2 T A 16 -2.822 13.279 -1.233 1.00 0.00 C
+ATOM 491 O2 T A 16 -1.594 13.336 -1.239 1.00 0.00 O
+ATOM 492 N3 T A 16 -3.495 12.070 -1.220 1.00 0.00 N
+ATOM 493 C4 T A 16 -4.867 11.902 -1.221 1.00 0.00 C
+ATOM 494 O4 T A 16 -5.360 10.777 -1.214 1.00 0.00 O
+ATOM 495 C5 T A 16 -5.609 13.142 -1.237 1.00 0.00 C
+ATOM 496 C5M T A 16 -7.133 13.099 -1.238 1.00 0.00 C
+ATOM 497 C6 T A 16 -4.977 14.334 -1.251 1.00 0.00 C
+ATOM 498 1H5* T A 16 -4.846 18.731 0.636 1.00 0.00 H
+ATOM 499 2H5* T A 16 -4.762 19.657 -0.883 1.00 0.00 H
+ATOM 500 H4* T A 16 -2.634 18.533 -0.237 1.00 0.00 H
+ATOM 501 H3* T A 16 -3.923 18.436 -2.769 1.00 0.00 H
+ATOM 502 1H2* T A 16 -4.155 16.185 -2.963 1.00 0.00 H
+ATOM 503 2H2* T A 16 -2.367 16.223 -3.281 1.00 0.00 H
+ATOM 504 H1* T A 16 -1.850 15.566 -1.149 1.00 0.00 H
+ATOM 505 H3 T A 16 -2.939 11.236 -1.205 1.00 0.00 H
+ATOM 506 1H5M T A 16 -7.472 12.163 -1.677 1.00 0.00 H
+ATOM 507 2H5M T A 16 -7.522 13.937 -1.811 1.00 0.00 H
+ATOM 508 3H5M T A 16 -7.495 13.167 -0.223 1.00 0.00 H
+ATOM 509 H6 T A 16 -5.563 15.250 -1.275 1.00 0.00 H
+ATOM 510 H3T T A 16 -1.301 17.777 -2.854 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
+MODEL 3
+ATOM 1 O5* A A 1 6.086 0.256 2.151 1.00 0.00 O
+ATOM 2 C5* A A 1 7.244 0.590 1.374 1.00 0.00 C
+ATOM 3 C4* A A 1 7.706 2.020 1.606 1.00 0.00 C
+ATOM 4 O4* A A 1 6.939 2.946 0.795 1.00 0.00 O
+ATOM 5 C3* A A 1 7.513 2.422 3.063 1.00 0.00 C
+ATOM 6 O3* A A 1 8.665 3.103 3.572 1.00 0.00 O
+ATOM 7 C2* A A 1 6.326 3.327 3.049 1.00 0.00 C
+ATOM 8 C1* A A 1 6.247 3.884 1.650 1.00 0.00 C
+ATOM 9 N9 A A 1 4.849 4.057 1.227 1.00 0.00 N
+ATOM 10 C8 A A 1 3.865 3.135 1.082 1.00 0.00 C
+ATOM 11 N7 A A 1 2.713 3.553 0.673 1.00 0.00 N
+ATOM 12 C5 A A 1 2.949 4.924 0.525 1.00 0.00 C
+ATOM 13 C6 A A 1 2.137 5.985 0.113 1.00 0.00 C
+ATOM 14 N6 A A 1 0.861 5.829 -0.246 1.00 0.00 N
+ATOM 15 N1 A A 1 2.690 7.212 0.083 1.00 0.00 N
+ATOM 16 C2 A A 1 3.966 7.385 0.436 1.00 0.00 C
+ATOM 17 N3 A A 1 4.821 6.453 0.839 1.00 0.00 N
+ATOM 18 C4 A A 1 4.245 5.236 0.861 1.00 0.00 C
+ATOM 19 1H5* A A 1 7.005 0.503 0.322 1.00 0.00 H
+ATOM 20 2H5* A A 1 8.050 -0.114 1.629 1.00 0.00 H
+ATOM 21 H4* A A 1 8.759 2.105 1.344 1.00 0.00 H
+ATOM 22 H3* A A 1 7.297 1.538 3.666 1.00 0.00 H
+ATOM 23 H1* A A 1 6.755 4.847 1.615 1.00 0.00 H
+ATOM 24 H8 A A 1 4.039 2.083 1.305 1.00 0.00 H
+ATOM 25 1H6 A A 1 0.312 6.626 -0.536 1.00 0.00 H
+ATOM 26 2H6 A A 1 0.442 4.910 -0.229 1.00 0.00 H
+ATOM 27 H2 A A 1 4.349 8.404 0.385 1.00 0.00 H
+ATOM 28 1H2* A A 1 5.418 2.754 3.274 1.00 0.00 H
+ATOM 29 2H2* A A 1 6.478 4.142 3.766 1.00 0.00 H
+ATOM 30 H5T A A 1 5.345 0.188 1.545 1.00 0.00 H
+ATOM 31 P T A 2 8.684 3.639 5.086 1.00 0.00 P
+ATOM 32 O1P T A 2 10.089 3.670 5.567 1.00 0.00 O
+ATOM 33 O2P T A 2 7.663 2.903 5.873 1.00 0.00 O
+ATOM 34 O5* T A 2 8.179 5.149 4.857 1.00 0.00 O
+ATOM 35 C5* T A 2 8.724 5.943 3.794 1.00 0.00 C
+ATOM 36 C4* T A 2 8.237 7.387 3.821 1.00 0.00 C
+ATOM 37 O4* T A 2 6.944 7.523 3.176 1.00 0.00 O
+ATOM 38 C3* T A 2 8.088 7.899 5.248 1.00 0.00 C
+ATOM 39 O3* T A 2 8.735 9.165 5.415 1.00 0.00 O
+ATOM 40 C2* T A 2 6.616 8.037 5.456 1.00 0.00 C
+ATOM 41 C1* T A 2 6.025 8.183 4.079 1.00 0.00 C
+ATOM 42 N1 T A 2 4.665 7.607 4.001 1.00 0.00 N
+ATOM 43 C2 T A 2 3.652 8.441 3.569 1.00 0.00 C
+ATOM 44 O2 T A 2 3.849 9.622 3.293 1.00 0.00 O
+ATOM 45 N3 T A 2 2.399 7.874 3.475 1.00 0.00 N
+ATOM 46 C4 T A 2 2.070 6.562 3.771 1.00 0.00 C
+ATOM 47 O4 T A 2 0.914 6.162 3.640 1.00 0.00 O
+ATOM 48 C5 T A 2 3.189 5.765 4.218 1.00 0.00 C
+ATOM 49 C5M T A 2 2.971 4.298 4.573 1.00 0.00 C
+ATOM 50 C6 T A 2 4.424 6.297 4.320 1.00 0.00 C
+ATOM 51 1H5* T A 2 8.419 5.527 2.845 1.00 0.00 H
+ATOM 52 2H5* T A 2 9.821 5.917 3.871 1.00 0.00 H
+ATOM 53 H4* T A 2 8.958 8.013 3.294 1.00 0.00 H
+ATOM 54 H3* T A 2 8.497 7.168 5.949 1.00 0.00 H
+ATOM 55 1H2* T A 2 6.222 7.136 5.942 1.00 0.00 H
+ATOM 56 2H2* T A 2 6.415 8.935 6.043 1.00 0.00 H
+ATOM 57 H1* T A 2 5.982 9.244 3.826 1.00 0.00 H
+ATOM 58 H3 T A 2 1.659 8.469 3.161 1.00 0.00 H
+ATOM 59 1H5M T A 2 3.513 3.673 3.877 1.00 0.00 H
+ATOM 60 2H5M T A 2 1.908 4.064 4.518 1.00 0.00 H
+ATOM 61 3H5M T A 2 3.335 4.108 5.576 1.00 0.00 H
+ATOM 62 H6 T A 2 5.243 5.673 4.671 1.00 0.00 H
+ATOM 63 P C A 3 8.681 9.926 6.828 1.00 0.00 P
+ATOM 64 O1P C A 3 9.906 10.754 6.976 1.00 0.00 O
+ATOM 65 O2P C A 3 8.337 8.946 7.890 1.00 0.00 O
+ATOM 66 O5* C A 3 7.419 10.896 6.584 1.00 0.00 O
+ATOM 67 C5* C A 3 7.323 11.682 5.386 1.00 0.00 C
+ATOM 68 C4* C A 3 6.221 12.737 5.449 1.00 0.00 C
+ATOM 69 O4* C A 3 4.939 12.177 5.066 1.00 0.00 O
+ATOM 70 C3* C A 3 6.069 13.304 6.856 1.00 0.00 C
+ATOM 71 O3* C A 3 6.018 14.736 6.835 1.00 0.00 O
+ATOM 72 C2* C A 3 4.780 12.739 7.359 1.00 0.00 C
+ATOM 73 C1* C A 3 3.979 12.378 6.131 1.00 0.00 C
+ATOM 74 N1 C A 3 3.164 11.158 6.342 1.00 0.00 N
+ATOM 75 C2 C A 3 1.809 11.235 6.062 1.00 0.00 C
+ATOM 76 O2 C A 3 1.305 12.301 5.716 1.00 0.00 O
+ATOM 77 N3 C A 3 1.064 10.107 6.187 1.00 0.00 N
+ATOM 78 C4 C A 3 1.617 8.948 6.571 1.00 0.00 C
+ATOM 79 N4 C A 3 0.863 7.849 6.655 1.00 0.00 N
+ATOM 80 C5 C A 3 3.009 8.867 6.867 1.00 0.00 C
+ATOM 81 C6 C A 3 3.741 9.988 6.743 1.00 0.00 C
+ATOM 82 1H5* C A 3 7.086 11.035 4.552 1.00 0.00 H
+ATOM 83 2H5* C A 3 8.295 12.167 5.210 1.00 0.00 H
+ATOM 84 H4* C A 3 6.469 13.548 4.765 1.00 0.00 H
+ATOM 85 H3* C A 3 6.893 12.963 7.485 1.00 0.00 H
+ATOM 86 H1* C A 3 3.327 13.210 5.871 1.00 0.00 H
+ATOM 87 1H4 C A 3 -0.123 7.891 6.448 1.00 0.00 H
+ATOM 88 2H4 C A 3 1.282 6.971 6.925 1.00 0.00 H
+ATOM 89 H5 C A 3 3.464 7.928 7.179 1.00 0.00 H
+ATOM 90 H6 C A 3 4.802 9.963 6.973 1.00 0.00 H
+ATOM 91 1H2* C A 3 4.975 11.847 7.963 1.00 0.00 H
+ATOM 92 2H2* C A 3 4.250 13.506 7.930 1.00 0.00 H
+ATOM 93 P C A 4 5.831 15.567 8.198 1.00 0.00 P
+ATOM 94 O1P C A 4 6.465 16.901 8.039 1.00 0.00 O
+ATOM 95 O2P C A 4 6.224 14.709 9.345 1.00 0.00 O
+ATOM 96 O5* C A 4 4.230 15.746 8.205 1.00 0.00 O
+ATOM 97 C5* C A 4 3.555 16.290 7.062 1.00 0.00 C
+ATOM 98 C4* C A 4 2.073 16.543 7.309 1.00 0.00 C
+ATOM 99 O4* C A 4 1.304 15.317 7.199 1.00 0.00 O
+ATOM 100 C3* C A 4 1.828 17.112 8.701 1.00 0.00 C
+ATOM 101 O3* C A 4 1.007 18.282 8.638 1.00 0.00 O
+ATOM 102 C2* C A 4 1.140 16.014 9.453 1.00 0.00 C
+ATOM 103 C1* C A 4 0.525 15.123 8.402 1.00 0.00 C
+ATOM 104 N1 C A 4 0.521 13.697 8.810 1.00 0.00 N
+ATOM 105 C2 C A 4 -0.687 13.020 8.746 1.00 0.00 C
+ATOM 106 O2 C A 4 -1.712 13.610 8.411 1.00 0.00 O
+ATOM 107 N3 C A 4 -0.701 11.701 9.060 1.00 0.00 N
+ATOM 108 C4 C A 4 0.417 11.059 9.424 1.00 0.00 C
+ATOM 109 N4 C A 4 0.364 9.758 9.718 1.00 0.00 N
+ATOM 110 C5 C A 4 1.663 11.748 9.497 1.00 0.00 C
+ATOM 111 C6 C A 4 1.672 13.060 9.188 1.00 0.00 C
+ATOM 112 1H5* C A 4 3.620 15.590 6.241 1.00 0.00 H
+ATOM 113 2H5* C A 4 4.051 17.232 6.783 1.00 0.00 H
+ATOM 114 H4* C A 4 1.707 17.253 6.569 1.00 0.00 H
+ATOM 115 H3* C A 4 2.783 17.344 9.178 1.00 0.00 H
+ATOM 116 H1* C A 4 -0.499 15.448 8.220 1.00 0.00 H
+ATOM 117 1H4 C A 4 -0.514 9.263 9.670 1.00 0.00 H
+ATOM 118 2H4 C A 4 1.204 9.268 9.985 1.00 0.00 H
+ATOM 119 H5 C A 4 2.580 11.226 9.779 1.00 0.00 H
+ATOM 120 H6 C A 4 2.600 13.619 9.255 1.00 0.00 H
+ATOM 121 1H2* C A 4 1.871 15.455 10.045 1.00 0.00 H
+ATOM 122 2H2* C A 4 0.352 16.440 10.082 1.00 0.00 H
+ATOM 123 P T A 5 0.593 19.058 9.982 1.00 0.00 P
+ATOM 124 O1P T A 5 0.342 20.484 9.654 1.00 0.00 O
+ATOM 125 O2P T A 5 1.563 18.717 11.053 1.00 0.00 O
+ATOM 126 O5* T A 5 -0.810 18.343 10.299 1.00 0.00 O
+ATOM 127 C5* T A 5 -2.001 18.761 9.622 1.00 0.00 C
+ATOM 128 C4* T A 5 -3.248 18.051 10.130 1.00 0.00 C
+ATOM 129 O4* T A 5 -3.071 16.611 10.133 1.00 0.00 O
+ATOM 130 C3* T A 5 -3.587 18.478 11.555 1.00 0.00 C
+ATOM 131 O3* T A 5 -4.947 18.914 11.659 1.00 0.00 O
+ATOM 132 C2* T A 5 -3.344 17.259 12.391 1.00 0.00 C
+ATOM 133 C1* T A 5 -3.394 16.086 11.440 1.00 0.00 C
+ATOM 134 N1 T A 5 -2.452 15.014 11.837 1.00 0.00 N
+ATOM 135 C2 T A 5 -2.961 13.731 11.948 1.00 0.00 C
+ATOM 136 O2 T A 5 -4.147 13.479 11.745 1.00 0.00 O
+ATOM 137 N3 T A 5 -2.056 12.746 12.306 1.00 0.00 N
+ATOM 138 C4 T A 5 -0.709 12.929 12.561 1.00 0.00 C
+ATOM 139 O4 T A 5 0.002 11.975 12.865 1.00 0.00 O
+ATOM 140 C5 T A 5 -0.267 14.300 12.424 1.00 0.00 C
+ATOM 141 C5M T A 5 1.189 14.655 12.705 1.00 0.00 C
+ATOM 142 C6 T A 5 -1.126 15.278 12.072 1.00 0.00 C
+ATOM 143 1H5* T A 5 -1.915 18.528 8.570 1.00 0.00 H
+ATOM 144 2H5* T A 5 -2.110 19.848 9.752 1.00 0.00 H
+ATOM 145 H4* T A 5 -4.085 18.299 9.478 1.00 0.00 H
+ATOM 146 H3* T A 5 -2.912 19.277 11.869 1.00 0.00 H
+ATOM 147 1H2* T A 5 -2.360 17.325 12.865 1.00 0.00 H
+ATOM 148 2H2* T A 5 -4.143 17.160 13.133 1.00 0.00 H
+ATOM 149 H1* T A 5 -4.408 15.684 11.424 1.00 0.00 H
+ATOM 150 H3 T A 5 -2.405 11.807 12.385 1.00 0.00 H
+ATOM 151 1H5M T A 5 1.330 14.788 13.768 1.00 0.00 H
+ATOM 152 2H5M T A 5 1.446 15.580 12.191 1.00 0.00 H
+ATOM 153 3H5M T A 5 1.834 13.853 12.361 1.00 0.00 H
+ATOM 154 H6 T A 5 -0.751 16.294 11.960 1.00 0.00 H
+ATOM 155 P A A 6 -5.380 19.943 12.812 1.00 0.00 P
+ATOM 156 O1P A A 6 -6.366 20.904 12.256 1.00 0.00 O
+ATOM 157 O2P A A 6 -4.159 20.462 13.481 1.00 0.00 O
+ATOM 158 O5* A A 6 -6.134 18.942 13.816 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.516 18.621 13.614 1.00 0.00 C
+ATOM 160 C4* A A 6 -7.958 17.414 14.426 1.00 0.00 C
+ATOM 161 O4* A A 6 -7.080 16.278 14.195 1.00 0.00 O
+ATOM 162 C3* A A 6 -7.931 17.718 15.923 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.164 17.337 16.553 1.00 0.00 O
+ATOM 164 C2* A A 6 -6.790 16.904 16.448 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.608 15.779 15.464 1.00 0.00 C
+ATOM 166 N9 A A 6 -5.202 15.335 15.415 1.00 0.00 N
+ATOM 167 C8 A A 6 -4.056 16.059 15.396 1.00 0.00 C
+ATOM 168 N7 A A 6 -2.942 15.413 15.501 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.394 14.092 15.597 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.733 12.867 15.739 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.409 12.762 15.849 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.492 11.758 15.796 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.822 11.847 15.723 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.546 12.948 15.597 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.766 14.041 15.539 1.00 0.00 C
+ATOM 176 1H5* A A 6 -7.679 18.377 12.575 1.00 0.00 H
+ATOM 177 2H5* A A 6 -8.119 19.499 13.887 1.00 0.00 H
+ATOM 178 H4* A A 6 -8.971 17.142 14.135 1.00 0.00 H
+ATOM 179 H3* A A 6 -7.733 18.780 16.082 1.00 0.00 H
+ATOM 180 H1* A A 6 -7.236 14.941 15.769 1.00 0.00 H
+ATOM 181 H8 A A 6 -4.071 17.146 15.301 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.833 13.591 15.832 1.00 0.00 H
+ATOM 183 2H6 A A 6 -0.982 11.854 15.961 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.376 10.912 15.757 1.00 0.00 H
+ATOM 185 1H2* A A 6 -5.882 17.519 16.481 1.00 0.00 H
+ATOM 186 2H2* A A 6 -7.040 16.500 17.435 1.00 0.00 H
+ATOM 187 P G A 7 -9.758 18.187 17.785 1.00 0.00 P
+ATOM 188 O1P G A 7 -11.124 18.652 17.436 1.00 0.00 O
+ATOM 189 O2P G A 7 -8.744 19.184 18.215 1.00 0.00 O
+ATOM 190 O5* G A 7 -9.874 17.039 18.910 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.180 15.680 18.561 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.539 14.672 19.517 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.133 14.501 19.202 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.627 15.110 20.986 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.106 14.047 21.819 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.227 15.480 21.357 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.332 14.762 20.377 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.137 15.571 20.044 1.00 0.00 N
+ATOM 199 C8 G A 7 -6.025 16.898 19.777 1.00 0.00 C
+ATOM 200 N7 G A 7 -4.846 17.357 19.513 1.00 0.00 N
+ATOM 201 C5 G A 7 -4.062 16.204 19.611 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.661 16.035 19.432 1.00 0.00 C
+ATOM 203 O6 G A 7 -1.821 16.886 19.147 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.279 14.713 19.622 1.00 0.00 N
+ATOM 205 C2 G A 7 -3.135 13.679 19.946 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.583 12.475 20.091 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.449 13.832 20.116 1.00 0.00 N
+ATOM 208 C4 G A 7 -4.846 15.108 19.935 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.783 15.466 17.579 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.275 15.552 18.539 1.00 0.00 H
+ATOM 211 H4* G A 7 -10.040 13.711 19.404 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.269 15.989 21.090 1.00 0.00 H
+ATOM 213 H1* G A 7 -7.012 13.814 20.812 1.00 0.00 H
+ATOM 214 H8 G A 7 -6.895 17.554 19.785 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.296 14.514 19.507 1.00 0.00 H
+ATOM 216 1H2 G A 7 -3.161 11.680 20.328 1.00 0.00 H
+ATOM 217 2H2 G A 7 -1.589 12.358 19.967 1.00 0.00 H
+ATOM 218 1H2* G A 7 -8.093 16.563 21.268 1.00 0.00 H
+ATOM 219 2H2* G A 7 -8.013 15.130 22.371 1.00 0.00 H
+ATOM 220 P T A 8 -10.331 14.285 23.393 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.689 13.809 23.763 1.00 0.00 O
+ATOM 222 O2P T A 8 -9.934 15.676 23.732 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.239 13.273 23.998 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.368 11.858 23.807 1.00 0.00 C
+ATOM 225 C4* T A 8 -8.016 11.158 23.745 1.00 0.00 C
+ATOM 226 O4* T A 8 -7.024 12.011 23.117 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.493 10.810 25.135 1.00 0.00 C
+ATOM 228 O3* T A 8 -6.998 9.466 25.170 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.386 11.780 25.377 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.902 12.199 24.013 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.427 13.600 24.014 1.00 0.00 N
+ATOM 232 C2 T A 8 -4.124 13.824 23.603 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.388 12.911 23.237 1.00 0.00 O
+ATOM 234 N3 T A 8 -3.696 15.138 23.626 1.00 0.00 N
+ATOM 235 C4 T A 8 -4.445 16.232 24.018 1.00 0.00 C
+ATOM 236 O4 T A 8 -3.962 17.361 23.997 1.00 0.00 O
+ATOM 237 C5 T A 8 -5.792 15.906 24.431 1.00 0.00 C
+ATOM 238 C5M T A 8 -6.722 17.023 24.890 1.00 0.00 C
+ATOM 239 C6 T A 8 -6.236 14.630 24.419 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.862 11.668 22.864 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.974 11.448 24.628 1.00 0.00 H
+ATOM 242 H4* T A 8 -8.115 10.245 23.160 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.278 10.947 25.881 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.768 12.652 25.922 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.583 11.288 25.917 1.00 0.00 H
+ATOM 246 H1* T A 8 -5.080 11.537 23.708 1.00 0.00 H
+ATOM 247 H3 T A 8 -2.747 15.315 23.331 1.00 0.00 H
+ATOM 248 1H5M T A 8 -6.140 17.792 25.396 1.00 0.00 H
+ATOM 249 2H5M T A 8 -7.466 16.619 25.577 1.00 0.00 H
+ATOM 250 3H5M T A 8 -7.222 17.458 24.024 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.257 14.417 24.736 1.00 0.00 H
+ATOM 252 P T A 9 -6.331 8.850 26.500 1.00 0.00 P
+ATOM 253 O1P T A 9 -7.033 7.588 26.846 1.00 0.00 O
+ATOM 254 O2P T A 9 -6.210 9.914 27.526 1.00 0.00 O
+ATOM 255 O5* T A 9 -4.865 8.489 25.932 1.00 0.00 O
+ATOM 256 C5* T A 9 -3.665 9.041 26.509 1.00 0.00 C
+ATOM 257 C4* T A 9 -3.009 10.086 25.597 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.456 11.430 25.914 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.483 10.085 25.709 1.00 0.00 C
+ATOM 260 O3* T A 9 -0.882 9.990 24.415 1.00 0.00 O
+ATOM 261 C2* T A 9 -1.142 11.394 26.348 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.313 12.298 26.071 1.00 0.00 C
+ATOM 263 N1 T A 9 -2.515 13.274 27.161 1.00 0.00 N
+ATOM 264 C2 T A 9 -2.477 14.615 26.826 1.00 0.00 C
+ATOM 265 O2 T A 9 -2.289 14.999 25.673 1.00 0.00 O
+ATOM 266 N3 T A 9 -2.665 15.504 27.867 1.00 0.00 N
+ATOM 267 C4 T A 9 -2.886 15.175 29.192 1.00 0.00 C
+ATOM 268 O4 T A 9 -3.039 16.052 30.039 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.911 13.752 29.446 1.00 0.00 C
+ATOM 270 C5M T A 9 -3.150 13.249 30.867 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.730 12.863 28.447 1.00 0.00 C
+ATOM 272 1H5* T A 9 -2.951 8.244 26.646 1.00 0.00 H
+ATOM 273 2H5* T A 9 -3.914 9.482 27.485 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.282 9.867 24.566 1.00 0.00 H
+ATOM 275 H3* T A 9 -1.144 9.266 26.344 1.00 0.00 H
+ATOM 276 1H2* T A 9 -1.022 11.260 27.431 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.237 11.807 25.887 1.00 0.00 H
+ATOM 278 H1* T A 9 -2.140 12.831 25.136 1.00 0.00 H
+ATOM 279 H3 T A 9 -2.637 16.488 27.638 1.00 0.00 H
+ATOM 280 1H5M T A 9 -2.365 12.546 31.141 1.00 0.00 H
+ATOM 281 2H5M T A 9 -4.119 12.752 30.919 1.00 0.00 H
+ATOM 282 3H5M T A 9 -3.137 14.093 31.556 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.756 11.799 28.668 1.00 0.00 H
+ATOM 284 P A A 10 -0.007 8.710 24.021 1.00 0.00 P
+ATOM 285 O1P A A 10 0.871 8.359 25.166 1.00 0.00 O
+ATOM 286 O2P A A 10 0.597 8.928 22.684 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.165 7.607 23.897 1.00 0.00 O
+ATOM 288 C5* A A 10 -0.828 6.223 24.004 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.589 5.348 23.013 1.00 0.00 C
+ATOM 290 O4* A A 10 -2.826 5.988 22.615 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.751 5.141 21.758 1.00 0.00 C
+ATOM 292 O3* A A 10 -0.984 3.853 21.184 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.231 6.219 20.851 1.00 0.00 C
+ATOM 294 C1* A A 10 -2.663 6.481 21.278 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.065 7.894 21.210 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.307 9.005 21.283 1.00 0.00 C
+ATOM 297 N7 A A 10 -2.908 10.143 21.354 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.245 9.752 21.344 1.00 0.00 C
+ATOM 299 C6 A A 10 -5.440 10.473 21.394 1.00 0.00 C
+ATOM 300 N6 A A 10 -5.482 11.802 21.435 1.00 0.00 N
+ATOM 301 N1 A A 10 -6.587 9.774 21.365 1.00 0.00 N
+ATOM 302 C2 A A 10 -6.563 8.443 21.290 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.489 7.660 21.234 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.352 8.386 21.266 1.00 0.00 C
+ATOM 305 1H5* A A 10 -1.104 5.891 24.977 1.00 0.00 H
+ATOM 306 2H5* A A 10 0.256 6.114 23.874 1.00 0.00 H
+ATOM 307 H4* A A 10 -1.808 4.385 23.470 1.00 0.00 H
+ATOM 308 H3* A A 10 0.310 5.279 21.970 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.312 5.918 20.624 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.241 8.933 21.405 1.00 0.00 H
+ATOM 311 1H6 A A 10 -6.373 12.279 21.467 1.00 0.00 H
+ATOM 312 2H6 A A 10 -4.624 12.335 21.434 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.530 7.941 21.276 1.00 0.00 H
+ATOM 314 1H2* A A 10 -0.613 7.107 20.985 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.215 5.863 19.814 1.00 0.00 H
+ATOM 316 P T A 11 -0.236 3.423 19.832 1.00 0.00 P
+ATOM 317 O1P T A 11 0.285 2.043 19.990 1.00 0.00 O
+ATOM 318 O2P T A 11 0.689 4.512 19.423 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.488 3.399 18.827 1.00 0.00 O
+ATOM 320 C5* T A 11 -2.734 2.841 19.258 1.00 0.00 C
+ATOM 321 C4* T A 11 -3.918 3.313 18.428 1.00 0.00 C
+ATOM 322 O4* T A 11 -3.999 4.762 18.379 1.00 0.00 O
+ATOM 323 C3* T A 11 -3.823 2.808 16.995 1.00 0.00 C
+ATOM 324 O3* T A 11 -5.016 2.112 16.621 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.620 4.040 16.162 1.00 0.00 C
+ATOM 326 C1* T A 11 -4.114 5.193 17.003 1.00 0.00 C
+ATOM 327 N1 T A 11 -3.332 6.429 16.762 1.00 0.00 N
+ATOM 328 C2 T A 11 -4.036 7.564 16.410 1.00 0.00 C
+ATOM 329 O2 T A 11 -5.258 7.560 16.269 1.00 0.00 O
+ATOM 330 N3 T A 11 -3.287 8.709 16.225 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.915 8.818 16.363 1.00 0.00 C
+ATOM 332 O4 T A 11 -1.352 9.899 16.197 1.00 0.00 O
+ATOM 333 C5 T A 11 -1.261 7.581 16.725 1.00 0.00 C
+ATOM 334 C5M T A 11 0.254 7.557 16.899 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.969 6.450 16.910 1.00 0.00 C
+ATOM 336 1H5* T A 11 -2.928 3.143 20.278 1.00 0.00 H
+ATOM 337 2H5* T A 11 -2.656 1.745 19.208 1.00 0.00 H
+ATOM 338 H4* T A 11 -4.835 2.928 18.874 1.00 0.00 H
+ATOM 339 H3* T A 11 -2.957 2.151 16.892 1.00 0.00 H
+ATOM 340 1H2* T A 11 -2.555 4.165 15.938 1.00 0.00 H
+ATOM 341 2H2* T A 11 -4.220 3.969 15.246 1.00 0.00 H
+ATOM 342 H1* T A 11 -5.162 5.380 16.774 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.785 9.536 15.951 1.00 0.00 H
+ATOM 344 1H5M T A 11 0.507 7.826 17.916 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.711 8.271 16.219 1.00 0.00 H
+ATOM 346 3H5M T A 11 0.629 6.557 16.689 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.445 5.533 17.182 1.00 0.00 H
+ATOM 348 P A A 12 -5.138 1.413 15.182 1.00 0.00 P
+ATOM 349 O1P A A 12 -6.048 0.246 15.290 1.00 0.00 O
+ATOM 350 O2P A A 12 -3.777 1.226 14.617 1.00 0.00 O
+ATOM 351 O5* A A 12 -5.884 2.579 14.375 1.00 0.00 O
+ATOM 352 C5* A A 12 -7.006 3.256 14.954 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.683 4.192 13.968 1.00 0.00 C
+ATOM 354 O4* A A 12 -7.069 5.507 14.003 1.00 0.00 O
+ATOM 355 C3* A A 12 -7.548 3.662 12.547 1.00 0.00 C
+ATOM 356 O3* A A 12 -8.789 3.740 11.842 1.00 0.00 O
+ATOM 357 C2* A A 12 -6.523 4.544 11.913 1.00 0.00 C
+ATOM 358 C1* A A 12 -6.547 5.834 12.694 1.00 0.00 C
+ATOM 359 N9 A A 12 -5.201 6.439 12.788 1.00 0.00 N
+ATOM 360 C8 A A 12 -4.001 5.867 13.066 1.00 0.00 C
+ATOM 361 N7 A A 12 -2.965 6.638 13.094 1.00 0.00 N
+ATOM 362 C5 A A 12 -3.531 7.883 12.799 1.00 0.00 C
+ATOM 363 C6 A A 12 -2.988 9.167 12.665 1.00 0.00 C
+ATOM 364 N6 A A 12 -1.689 9.436 12.822 1.00 0.00 N
+ATOM 365 N1 A A 12 -3.834 10.167 12.368 1.00 0.00 N
+ATOM 366 C2 A A 12 -5.133 9.929 12.210 1.00 0.00 C
+ATOM 367 N3 A A 12 -5.755 8.758 12.312 1.00 0.00 N
+ATOM 368 C4 A A 12 -4.889 7.769 12.611 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.673 3.861 15.785 1.00 0.00 H
+ATOM 370 2H5* A A 12 -7.722 2.500 15.308 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.737 4.284 14.222 1.00 0.00 H
+ATOM 372 H3* A A 12 -7.189 2.631 12.566 1.00 0.00 H
+ATOM 373 H1* A A 12 -7.222 6.535 12.205 1.00 0.00 H
+ATOM 374 H8 A A 12 -3.912 4.797 13.251 1.00 0.00 H
+ATOM 375 1H6 A A 12 -1.351 10.384 12.711 1.00 0.00 H
+ATOM 376 2H6 A A 12 -1.045 8.694 13.051 1.00 0.00 H
+ATOM 377 H2 A A 12 -5.754 10.790 11.974 1.00 0.00 H
+ATOM 378 1H2* A A 12 -5.533 4.077 11.988 1.00 0.00 H
+ATOM 379 2H2* A A 12 -6.802 4.736 10.875 1.00 0.00 H
+ATOM 380 P G A 13 -8.885 3.253 10.314 1.00 0.00 P
+ATOM 381 O1P G A 13 -10.185 2.566 10.107 1.00 0.00 O
+ATOM 382 O2P G A 13 -7.626 2.550 9.955 1.00 0.00 O
+ATOM 383 O5* G A 13 -8.919 4.673 9.567 1.00 0.00 O
+ATOM 384 C5* G A 13 -9.761 5.732 10.046 1.00 0.00 C
+ATOM 385 C4* G A 13 -9.627 7.003 9.219 1.00 0.00 C
+ATOM 386 O4* G A 13 -8.386 7.690 9.525 1.00 0.00 O
+ATOM 387 C3* G A 13 -9.616 6.682 7.733 1.00 0.00 C
+ATOM 388 O3* G A 13 -10.459 7.582 7.000 1.00 0.00 O
+ATOM 389 C2* G A 13 -8.188 6.840 7.325 1.00 0.00 C
+ATOM 390 C1* G A 13 -7.571 7.779 8.332 1.00 0.00 C
+ATOM 391 N9 G A 13 -6.171 7.414 8.624 1.00 0.00 N
+ATOM 392 C8 G A 13 -5.639 6.201 8.917 1.00 0.00 C
+ATOM 393 N7 G A 13 -4.380 6.149 9.188 1.00 0.00 N
+ATOM 394 C5 G A 13 -4.007 7.489 9.058 1.00 0.00 C
+ATOM 395 C6 G A 13 -2.738 8.096 9.226 1.00 0.00 C
+ATOM 396 O6 G A 13 -1.671 7.567 9.530 1.00 0.00 O
+ATOM 397 N1 G A 13 -2.796 9.460 9.001 1.00 0.00 N
+ATOM 398 C2 G A 13 -3.927 10.166 8.650 1.00 0.00 C
+ATOM 399 N2 G A 13 -3.767 11.476 8.457 1.00 0.00 N
+ATOM 400 N3 G A 13 -5.129 9.606 8.492 1.00 0.00 N
+ATOM 401 C4 G A 13 -5.099 8.270 8.708 1.00 0.00 C
+ATOM 402 1H5* G A 13 -9.479 5.984 11.059 1.00 0.00 H
+ATOM 403 2H5* G A 13 -10.804 5.381 10.029 1.00 0.00 H
+ATOM 404 H4* G A 13 -10.462 7.666 9.440 1.00 0.00 H
+ATOM 405 H3* G A 13 -9.935 5.648 7.573 1.00 0.00 H
+ATOM 406 H1* G A 13 -7.607 8.797 7.946 1.00 0.00 H
+ATOM 407 H8 G A 13 -6.249 5.301 8.903 1.00 0.00 H
+ATOM 408 H1 G A 13 -1.938 9.956 9.126 1.00 0.00 H
+ATOM 409 1H2 G A 13 -4.555 12.047 8.191 1.00 0.00 H
+ATOM 410 2H2 G A 13 -2.853 11.896 8.564 1.00 0.00 H
+ATOM 411 1H2* G A 13 -7.681 5.867 7.359 1.00 0.00 H
+ATOM 412 2H2* G A 13 -8.143 7.285 6.329 1.00 0.00 H
+ATOM 413 P G A 14 -10.637 7.422 5.412 1.00 0.00 P
+ATOM 414 O1P G A 14 -12.049 7.708 5.055 1.00 0.00 O
+ATOM 415 O2P G A 14 -10.028 6.136 4.989 1.00 0.00 O
+ATOM 416 O5* G A 14 -9.712 8.633 4.895 1.00 0.00 O
+ATOM 417 C5* G A 14 -9.899 9.962 5.404 1.00 0.00 C
+ATOM 418 C4* G A 14 -8.914 10.964 4.811 1.00 0.00 C
+ATOM 419 O4* G A 14 -7.590 10.796 5.381 1.00 0.00 O
+ATOM 420 C3* G A 14 -8.788 10.784 3.304 1.00 0.00 C
+ATOM 421 O3* G A 14 -8.862 12.042 2.622 1.00 0.00 O
+ATOM 422 C2* G A 14 -7.446 10.159 3.108 1.00 0.00 C
+ATOM 423 C1* G A 14 -6.638 10.533 4.323 1.00 0.00 C
+ATOM 424 N9 G A 14 -5.703 9.454 4.695 1.00 0.00 N
+ATOM 425 C8 G A 14 -5.930 8.127 4.851 1.00 0.00 C
+ATOM 426 N7 G A 14 -4.936 7.387 5.204 1.00 0.00 N
+ATOM 427 C5 G A 14 -3.906 8.324 5.295 1.00 0.00 C
+ATOM 428 C6 G A 14 -2.544 8.144 5.641 1.00 0.00 C
+ATOM 429 O6 G A 14 -1.963 7.106 5.950 1.00 0.00 O
+ATOM 430 N1 G A 14 -1.851 9.343 5.609 1.00 0.00 N
+ATOM 431 C2 G A 14 -2.390 10.569 5.286 1.00 0.00 C
+ATOM 432 N2 G A 14 -1.554 11.606 5.311 1.00 0.00 N
+ATOM 433 N3 G A 14 -3.671 10.750 4.960 1.00 0.00 N
+ATOM 434 C4 G A 14 -4.369 9.593 4.984 1.00 0.00 C
+ATOM 435 1H5* G A 14 -9.738 9.959 6.474 1.00 0.00 H
+ATOM 436 2H5* G A 14 -10.929 10.275 5.186 1.00 0.00 H
+ATOM 437 H4* G A 14 -9.265 11.974 5.022 1.00 0.00 H
+ATOM 438 H3* G A 14 -9.568 10.110 2.944 1.00 0.00 H
+ATOM 439 H1* G A 14 -6.074 11.441 4.115 1.00 0.00 H
+ATOM 440 H8 G A 14 -6.912 7.698 4.665 1.00 0.00 H
+ATOM 441 H1 G A 14 -0.884 9.290 5.845 1.00 0.00 H
+ATOM 442 1H2 G A 14 -1.889 12.529 5.084 1.00 0.00 H
+ATOM 443 2H2 G A 14 -0.581 11.466 5.551 1.00 0.00 H
+ATOM 444 1H2* G A 14 -7.547 9.069 3.051 1.00 0.00 H
+ATOM 445 2H2* G A 14 -6.977 10.571 2.210 1.00 0.00 H
+ATOM 446 P A A 15 -8.726 12.114 1.023 1.00 0.00 P
+ATOM 447 O1P A A 15 -9.595 13.203 0.511 1.00 0.00 O
+ATOM 448 O2P A A 15 -8.872 10.747 0.463 1.00 0.00 O
+ATOM 449 O5* A A 15 -7.188 12.570 0.890 1.00 0.00 O
+ATOM 450 C5* A A 15 -6.736 13.791 1.494 1.00 0.00 C
+ATOM 451 C4* A A 15 -5.268 14.088 1.209 1.00 0.00 C
+ATOM 452 O4* A A 15 -4.398 13.168 1.918 1.00 0.00 O
+ATOM 453 C3* A A 15 -4.960 13.953 -0.278 1.00 0.00 C
+ATOM 454 O3* A A 15 -4.219 15.082 -0.755 1.00 0.00 O
+ATOM 455 C2* A A 15 -4.147 12.704 -0.385 1.00 0.00 C
+ATOM 456 C1* A A 15 -3.533 12.496 0.975 1.00 0.00 C
+ATOM 457 N9 A A 15 -3.403 11.062 1.289 1.00 0.00 N
+ATOM 458 C8 A A 15 -4.323 10.071 1.212 1.00 0.00 C
+ATOM 459 N7 A A 15 -3.951 8.884 1.558 1.00 0.00 N
+ATOM 460 C5 A A 15 -2.616 9.101 1.911 1.00 0.00 C
+ATOM 461 C6 A A 15 -1.605 8.255 2.376 1.00 0.00 C
+ATOM 462 N6 A A 15 -1.775 6.951 2.589 1.00 0.00 N
+ATOM 463 N1 A A 15 -0.407 8.806 2.622 1.00 0.00 N
+ATOM 464 C2 A A 15 -0.205 10.108 2.424 1.00 0.00 C
+ATOM 465 N3 A A 15 -1.084 10.998 1.987 1.00 0.00 N
+ATOM 466 C4 A A 15 -2.278 10.425 1.747 1.00 0.00 C
+ATOM 467 1H5* A A 15 -6.838 13.717 2.570 1.00 0.00 H
+ATOM 468 2H5* A A 15 -7.364 14.615 1.122 1.00 0.00 H
+ATOM 469 H4* A A 15 -5.042 15.104 1.529 1.00 0.00 H
+ATOM 470 H3* A A 15 -5.887 13.841 -0.840 1.00 0.00 H
+ATOM 471 H1* A A 15 -2.547 12.959 0.997 1.00 0.00 H
+ATOM 472 H8 A A 15 -5.334 10.269 0.862 1.00 0.00 H
+ATOM 473 1H6 A A 15 -2.672 6.522 2.414 1.00 0.00 H
+ATOM 474 2H6 A A 15 -1.001 6.390 2.921 1.00 0.00 H
+ATOM 475 H2 A A 15 0.791 10.485 2.654 1.00 0.00 H
+ATOM 476 1H2* A A 15 -4.798 11.857 -0.632 1.00 0.00 H
+ATOM 477 2H2* A A 15 -3.358 12.839 -1.133 1.00 0.00 H
+ATOM 478 P T A 16 -3.747 15.159 -2.290 1.00 0.00 P
+ATOM 479 O1P T A 16 -3.818 16.571 -2.746 1.00 0.00 O
+ATOM 480 O2P T A 16 -4.456 14.111 -3.065 1.00 0.00 O
+ATOM 481 O5* T A 16 -2.202 14.738 -2.132 1.00 0.00 O
+ATOM 482 C5* T A 16 -1.378 15.373 -1.142 1.00 0.00 C
+ATOM 483 C4* T A 16 0.063 14.872 -1.153 1.00 0.00 C
+ATOM 484 O4* T A 16 0.170 13.562 -0.537 1.00 0.00 O
+ATOM 485 C3* T A 16 0.609 14.760 -2.572 1.00 0.00 C
+ATOM 486 O3* T A 16 1.868 15.435 -2.696 1.00 0.00 O
+ATOM 487 C2* T A 16 0.759 13.287 -2.810 1.00 0.00 C
+ATOM 488 C1* T A 16 0.837 12.654 -1.442 1.00 0.00 C
+ATOM 489 N1 T A 16 0.204 11.316 -1.420 1.00 0.00 N
+ATOM 490 C2 T A 16 0.969 10.261 -0.957 1.00 0.00 C
+ATOM 491 O2 T A 16 2.130 10.411 -0.580 1.00 0.00 O
+ATOM 492 N3 T A 16 0.354 9.024 -0.942 1.00 0.00 N
+ATOM 493 C4 T A 16 -0.937 8.749 -1.348 1.00 0.00 C
+ATOM 494 O4 T A 16 -1.375 7.602 -1.298 1.00 0.00 O
+ATOM 495 C5 T A 16 -1.663 9.908 -1.817 1.00 0.00 C
+ATOM 496 C5M T A 16 -3.101 9.751 -2.296 1.00 0.00 C
+ATOM 497 C6 T A 16 -1.087 11.128 -1.839 1.00 0.00 C
+ATOM 498 1H5* T A 16 -1.775 15.162 -0.159 1.00 0.00 H
+ATOM 499 2H5* T A 16 -1.397 16.458 -1.321 1.00 0.00 H
+ATOM 500 H4* T A 16 0.682 15.572 -0.593 1.00 0.00 H
+ATOM 501 H3* T A 16 -0.113 15.176 -3.280 1.00 0.00 H
+ATOM 502 1H2* T A 16 -0.113 12.909 -3.354 1.00 0.00 H
+ATOM 503 2H2* T A 16 1.691 13.095 -3.358 1.00 0.00 H
+ATOM 504 H1* T A 16 1.883 12.563 -1.151 1.00 0.00 H
+ATOM 505 H3 T A 16 0.888 8.253 -0.593 1.00 0.00 H
+ATOM 506 1H5M T A 16 -3.777 9.996 -1.492 1.00 0.00 H
+ATOM 507 2H5M T A 16 -3.271 8.721 -2.606 1.00 0.00 H
+ATOM 508 3H5M T A 16 -3.283 10.421 -3.131 1.00 0.00 H
+ATOM 509 H6 T A 16 -1.664 11.981 -2.191 1.00 0.00 H
+ATOM 510 H3T T A 16 2.157 15.338 -3.607 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
+MODEL 4
+ATOM 1 O5* A A 1 7.530 1.182 2.606 1.00 0.00 O
+ATOM 2 C5* A A 1 8.836 1.519 2.120 1.00 0.00 C
+ATOM 3 C4* A A 1 9.269 2.913 2.549 1.00 0.00 C
+ATOM 4 O4* A A 1 8.618 3.924 1.739 1.00 0.00 O
+ATOM 5 C3* A A 1 8.885 3.172 4.000 1.00 0.00 C
+ATOM 6 O3* A A 1 9.953 3.798 4.721 1.00 0.00 O
+ATOM 7 C2* A A 1 7.703 4.078 3.916 1.00 0.00 C
+ATOM 8 C1* A A 1 7.810 4.775 2.583 1.00 0.00 C
+ATOM 9 N9 A A 1 6.478 5.002 1.991 1.00 0.00 N
+ATOM 10 C8 A A 1 5.526 4.107 1.631 1.00 0.00 C
+ATOM 11 N7 A A 1 4.443 4.569 1.102 1.00 0.00 N
+ATOM 12 C5 A A 1 4.692 5.946 1.105 1.00 0.00 C
+ATOM 13 C6 A A 1 3.939 7.045 0.674 1.00 0.00 C
+ATOM 14 N6 A A 1 2.732 6.925 0.120 1.00 0.00 N
+ATOM 15 N1 A A 1 4.484 8.267 0.827 1.00 0.00 N
+ATOM 16 C2 A A 1 5.697 8.402 1.370 1.00 0.00 C
+ATOM 17 N3 A A 1 6.494 7.430 1.810 1.00 0.00 N
+ATOM 18 C4 A A 1 5.926 6.218 1.645 1.00 0.00 C
+ATOM 19 1H5* A A 1 8.831 1.511 1.039 1.00 0.00 H
+ATOM 20 2H5* A A 1 9.551 0.771 2.491 1.00 0.00 H
+ATOM 21 H4* A A 1 10.349 3.005 2.437 1.00 0.00 H
+ATOM 22 H3* A A 1 8.599 2.235 4.483 1.00 0.00 H
+ATOM 23 H1* A A 1 8.312 5.732 2.716 1.00 0.00 H
+ATOM 24 H8 A A 1 5.667 3.037 1.788 1.00 0.00 H
+ATOM 25 1H6 A A 1 2.323 6.010 -0.004 1.00 0.00 H
+ATOM 26 2H6 A A 1 2.226 7.746 -0.178 1.00 0.00 H
+ATOM 27 H2 A A 1 6.076 9.420 1.467 1.00 0.00 H
+ATOM 28 1H2* A A 1 6.779 3.488 3.956 1.00 0.00 H
+ATOM 29 2H2* A A 1 7.750 4.812 4.723 1.00 0.00 H
+ATOM 30 H5T A A 1 7.501 0.228 2.709 1.00 0.00 H
+ATOM 31 P T A 2 9.776 4.184 6.272 1.00 0.00 P
+ATOM 32 O1P T A 2 11.112 4.202 6.919 1.00 0.00 O
+ATOM 33 O2P T A 2 8.697 3.346 6.857 1.00 0.00 O
+ATOM 34 O5* T A 2 9.245 5.695 6.131 1.00 0.00 O
+ATOM 35 C5* T A 2 9.913 6.616 5.258 1.00 0.00 C
+ATOM 36 C4* T A 2 9.363 8.032 5.351 1.00 0.00 C
+ATOM 37 O4* T A 2 8.165 8.194 4.545 1.00 0.00 O
+ATOM 38 C3* T A 2 8.995 8.397 6.782 1.00 0.00 C
+ATOM 39 O3* T A 2 9.570 9.656 7.145 1.00 0.00 O
+ATOM 40 C2* T A 2 7.504 8.474 6.794 1.00 0.00 C
+ATOM 41 C1* T A 2 7.099 8.731 5.365 1.00 0.00 C
+ATOM 42 N1 T A 2 5.795 8.114 5.038 1.00 0.00 N
+ATOM 43 C2 T A 2 4.814 8.942 4.538 1.00 0.00 C
+ATOM 44 O2 T A 2 4.981 10.154 4.410 1.00 0.00 O
+ATOM 45 N3 T A 2 3.628 8.334 4.193 1.00 0.00 N
+ATOM 46 C4 T A 2 3.336 6.987 4.301 1.00 0.00 C
+ATOM 47 O4 T A 2 2.240 6.552 3.954 1.00 0.00 O
+ATOM 48 C5 T A 2 4.420 6.197 4.837 1.00 0.00 C
+ATOM 49 C5M T A 2 4.250 4.689 4.987 1.00 0.00 C
+ATOM 50 C6 T A 2 5.588 6.770 5.186 1.00 0.00 C
+ATOM 51 1H5* T A 2 9.783 6.295 4.234 1.00 0.00 H
+ATOM 52 2H5* T A 2 10.983 6.614 5.510 1.00 0.00 H
+ATOM 53 H4* T A 2 10.121 8.728 4.995 1.00 0.00 H
+ATOM 54 H3* T A 2 9.333 7.614 7.465 1.00 0.00 H
+ATOM 55 1H2* T A 2 7.083 7.523 7.139 1.00 0.00 H
+ATOM 56 2H2* T A 2 7.189 9.309 7.424 1.00 0.00 H
+ATOM 57 H1* T A 2 7.037 9.807 5.203 1.00 0.00 H
+ATOM 58 H3 T A 2 2.912 8.928 3.831 1.00 0.00 H
+ATOM 59 1H5M T A 2 3.497 4.480 5.733 1.00 0.00 H
+ATOM 60 2H5M T A 2 5.197 4.242 5.291 1.00 0.00 H
+ATOM 61 3H5M T A 2 3.935 4.265 4.039 1.00 0.00 H
+ATOM 62 H6 T A 2 6.373 6.154 5.611 1.00 0.00 H
+ATOM 63 P C A 3 9.272 10.316 8.578 1.00 0.00 P
+ATOM 64 O1P C A 3 10.456 11.104 9.003 1.00 0.00 O
+ATOM 65 O2P C A 3 8.724 9.275 9.485 1.00 0.00 O
+ATOM 66 O5* C A 3 8.091 11.326 8.163 1.00 0.00 O
+ATOM 67 C5* C A 3 8.211 12.112 6.966 1.00 0.00 C
+ATOM 68 C4* C A 3 7.122 13.170 6.831 1.00 0.00 C
+ATOM 69 O4* C A 3 5.930 12.628 6.203 1.00 0.00 O
+ATOM 70 C3* C A 3 6.716 13.719 8.189 1.00 0.00 C
+ATOM 71 O3* C A 3 6.703 15.151 8.184 1.00 0.00 O
+ATOM 72 C2* C A 3 5.343 13.176 8.424 1.00 0.00 C
+ATOM 73 C1* C A 3 4.786 12.839 7.063 1.00 0.00 C
+ATOM 74 N1 C A 3 3.933 11.632 7.114 1.00 0.00 N
+ATOM 75 C2 C A 3 2.628 11.739 6.659 1.00 0.00 C
+ATOM 76 O2 C A 3 2.188 12.819 6.275 1.00 0.00 O
+ATOM 77 N3 C A 3 1.858 10.618 6.659 1.00 0.00 N
+ATOM 78 C4 C A 3 2.342 9.445 7.088 1.00 0.00 C
+ATOM 79 N4 C A 3 1.565 8.359 7.055 1.00 0.00 N
+ATOM 80 C5 C A 3 3.682 9.336 7.562 1.00 0.00 C
+ATOM 81 C6 C A 3 4.436 10.448 7.559 1.00 0.00 C
+ATOM 82 1H5* C A 3 8.126 11.466 6.106 1.00 0.00 H
+ATOM 83 2H5* C A 3 9.200 12.592 6.968 1.00 0.00 H
+ATOM 84 H4* C A 3 7.501 13.988 6.218 1.00 0.00 H
+ATOM 85 H3* C A 3 7.396 13.350 8.958 1.00 0.00 H
+ATOM 86 H1* C A 3 4.204 13.682 6.693 1.00 0.00 H
+ATOM 87 1H4 C A 3 1.929 7.469 7.365 1.00 0.00 H
+ATOM 88 2H4 C A 3 0.616 8.425 6.718 1.00 0.00 H
+ATOM 89 H5 C A 3 4.081 8.384 7.916 1.00 0.00 H
+ATOM 90 H6 C A 3 5.458 10.406 7.924 1.00 0.00 H
+ATOM 91 1H2* C A 3 5.399 12.272 9.043 1.00 0.00 H
+ATOM 92 2H2* C A 3 4.729 13.945 8.888 1.00 0.00 H
+ATOM 93 P C A 4 6.365 15.971 9.522 1.00 0.00 P
+ATOM 94 O1P C A 4 6.984 17.318 9.430 1.00 0.00 O
+ATOM 95 O2P C A 4 6.660 15.116 10.699 1.00 0.00 O
+ATOM 96 O5* C A 4 4.774 16.119 9.373 1.00 0.00 O
+ATOM 97 C5* C A 4 4.214 16.894 8.305 1.00 0.00 C
+ATOM 98 C4* C A 4 2.718 17.114 8.462 1.00 0.00 C
+ATOM 99 O4* C A 4 1.975 15.904 8.162 1.00 0.00 O
+ATOM 100 C3* C A 4 2.366 17.529 9.887 1.00 0.00 C
+ATOM 101 O3* C A 4 1.581 18.723 9.910 1.00 0.00 O
+ATOM 102 C2* C A 4 1.602 16.371 10.449 1.00 0.00 C
+ATOM 103 C1* C A 4 1.091 15.590 9.261 1.00 0.00 C
+ATOM 104 N1 C A 4 1.070 14.132 9.532 1.00 0.00 N
+ATOM 105 C2 C A 4 -0.113 13.453 9.290 1.00 0.00 C
+ATOM 106 O2 C A 4 -1.103 14.059 8.886 1.00 0.00 O
+ATOM 107 N3 C A 4 -0.142 12.112 9.510 1.00 0.00 N
+ATOM 108 C4 C A 4 0.943 11.457 9.949 1.00 0.00 C
+ATOM 109 N4 C A 4 0.891 10.135 10.137 1.00 0.00 N
+ATOM 110 C5 C A 4 2.161 12.151 10.202 1.00 0.00 C
+ATOM 111 C6 C A 4 2.183 13.479 9.982 1.00 0.00 C
+ATOM 112 1H5* C A 4 4.358 16.370 7.369 1.00 0.00 H
+ATOM 113 2H5* C A 4 4.735 17.862 8.269 1.00 0.00 H
+ATOM 114 H4* C A 4 2.402 17.900 7.776 1.00 0.00 H
+ATOM 115 H3* C A 4 3.284 17.672 10.464 1.00 0.00 H
+ATOM 116 H1* C A 4 0.085 15.929 9.017 1.00 0.00 H
+ATOM 117 1H4 C A 4 1.712 9.640 10.454 1.00 0.00 H
+ATOM 118 2H4 C A 4 0.033 9.630 9.968 1.00 0.00 H
+ATOM 119 H5 C A 4 3.045 11.625 10.563 1.00 0.00 H
+ATOM 120 H6 C A 4 3.096 14.032 10.168 1.00 0.00 H
+ATOM 121 1H2* C A 4 2.263 15.749 11.059 1.00 0.00 H
+ATOM 122 2H2* C A 4 0.752 16.744 11.030 1.00 0.00 H
+ATOM 123 P T A 5 1.170 19.384 11.315 1.00 0.00 P
+ATOM 124 O1P T A 5 1.052 20.854 11.143 1.00 0.00 O
+ATOM 125 O2P T A 5 2.061 18.845 12.375 1.00 0.00 O
+ATOM 126 O5* T A 5 -0.296 18.759 11.500 1.00 0.00 O
+ATOM 127 C5* T A 5 -1.385 19.229 10.697 1.00 0.00 C
+ATOM 128 C4* T A 5 -2.662 18.434 10.918 1.00 0.00 C
+ATOM 129 O4* T A 5 -2.422 17.007 10.810 1.00 0.00 O
+ATOM 130 C3* T A 5 -3.243 18.700 12.301 1.00 0.00 C
+ATOM 131 O3* T A 5 -4.624 19.065 12.219 1.00 0.00 O
+ATOM 132 C2* T A 5 -3.069 17.411 13.045 1.00 0.00 C
+ATOM 133 C1* T A 5 -2.921 16.343 11.992 1.00 0.00 C
+ATOM 134 N1 T A 5 -2.006 15.263 12.428 1.00 0.00 N
+ATOM 135 C2 T A 5 -2.490 13.968 12.384 1.00 0.00 C
+ATOM 136 O2 T A 5 -3.642 13.713 12.039 1.00 0.00 O
+ATOM 137 N3 T A 5 -1.605 12.975 12.762 1.00 0.00 N
+ATOM 138 C4 T A 5 -0.302 13.155 13.174 1.00 0.00 C
+ATOM 139 O4 T A 5 0.395 12.186 13.475 1.00 0.00 O
+ATOM 140 C5 T A 5 0.120 14.541 13.195 1.00 0.00 C
+ATOM 141 C5M T A 5 1.536 14.895 13.643 1.00 0.00 C
+ATOM 142 C6 T A 5 -0.722 15.531 12.830 1.00 0.00 C
+ATOM 143 1H5* T A 5 -1.129 19.126 9.651 1.00 0.00 H
+ATOM 144 2H5* T A 5 -1.557 20.290 10.932 1.00 0.00 H
+ATOM 145 H4* T A 5 -3.393 18.726 10.165 1.00 0.00 H
+ATOM 146 H3* T A 5 -2.673 19.489 12.796 1.00 0.00 H
+ATOM 147 1H2* T A 5 -2.168 17.458 13.666 1.00 0.00 H
+ATOM 148 2H2* T A 5 -3.964 17.212 13.644 1.00 0.00 H
+ATOM 149 H1* T A 5 -3.901 15.918 11.775 1.00 0.00 H
+ATOM 150 H3 T A 5 -1.938 12.030 12.731 1.00 0.00 H
+ATOM 151 1H5M T A 5 1.628 15.977 13.739 1.00 0.00 H
+ATOM 152 2H5M T A 5 2.250 14.537 12.915 1.00 0.00 H
+ATOM 153 3H5M T A 5 1.742 14.427 14.597 1.00 0.00 H
+ATOM 154 H6 T A 5 -0.376 16.563 12.862 1.00 0.00 H
+ATOM 155 P A A 6 -5.274 20.043 13.316 1.00 0.00 P
+ATOM 156 O1P A A 6 -6.197 20.985 12.635 1.00 0.00 O
+ATOM 157 O2P A A 6 -4.196 20.582 14.182 1.00 0.00 O
+ATOM 158 O5* A A 6 -6.138 18.984 14.158 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.288 18.364 13.570 1.00 0.00 C
+ATOM 160 C4* A A 6 -7.785 17.174 14.375 1.00 0.00 C
+ATOM 161 O4* A A 6 -6.857 16.062 14.277 1.00 0.00 O
+ATOM 162 C3* A A 6 -7.929 17.529 15.853 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.212 17.134 16.364 1.00 0.00 O
+ATOM 164 C2* A A 6 -6.831 16.770 16.528 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.496 15.630 15.603 1.00 0.00 C
+ATOM 166 N9 A A 6 -5.073 15.249 15.707 1.00 0.00 N
+ATOM 167 C8 A A 6 -3.958 16.015 15.850 1.00 0.00 C
+ATOM 168 N7 A A 6 -2.835 15.403 16.034 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.239 14.064 16.008 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.544 12.858 16.148 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.234 12.787 16.384 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.258 11.724 16.063 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.575 11.767 15.859 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.328 12.846 15.719 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.595 13.968 15.804 1.00 0.00 C
+ATOM 176 1H5* A A 6 -7.030 17.991 12.590 1.00 0.00 H
+ATOM 177 2H5* A A 6 -8.083 19.118 13.482 1.00 0.00 H
+ATOM 178 H4* A A 6 -8.753 16.861 13.987 1.00 0.00 H
+ATOM 179 H3* A A 6 -7.777 18.602 15.995 1.00 0.00 H
+ATOM 180 H1* A A 6 -7.112 14.769 15.871 1.00 0.00 H
+ATOM 181 H8 A A 6 -4.007 17.102 15.807 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.787 11.885 16.475 1.00 0.00 H
+ATOM 183 2H6 A A 6 -0.689 13.633 16.471 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.090 10.811 15.791 1.00 0.00 H
+ATOM 185 1H2* A A 6 -5.959 17.418 16.655 1.00 0.00 H
+ATOM 186 2H2* A A 6 -7.184 16.375 17.481 1.00 0.00 H
+ATOM 187 P G A 7 -9.935 17.994 17.516 1.00 0.00 P
+ATOM 188 O1P G A 7 -11.299 18.363 17.057 1.00 0.00 O
+ATOM 189 O2P G A 7 -9.010 19.064 17.971 1.00 0.00 O
+ATOM 190 O5* G A 7 -10.060 16.886 18.677 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.357 15.520 18.357 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.767 14.535 19.369 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.343 14.372 19.144 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.943 14.992 20.825 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.439 13.927 21.642 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.576 15.395 21.270 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.614 14.674 20.356 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.424 15.499 20.069 1.00 0.00 N
+ATOM 199 C8 G A 7 -6.333 16.818 19.761 1.00 0.00 C
+ATOM 200 N7 G A 7 -5.154 17.303 19.557 1.00 0.00 N
+ATOM 201 C5 G A 7 -4.344 16.180 19.746 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.932 16.053 19.660 1.00 0.00 C
+ATOM 203 O6 G A 7 -2.103 16.922 19.400 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.521 14.752 19.921 1.00 0.00 N
+ATOM 205 C2 G A 7 -3.360 13.699 20.227 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.775 12.522 20.439 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.691 13.811 20.312 1.00 0.00 N
+ATOM 208 C4 G A 7 -5.115 15.070 20.061 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.915 15.279 17.401 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.451 15.397 18.286 1.00 0.00 H
+ATOM 211 H4* G A 7 -10.250 13.568 19.241 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.609 15.855 20.885 1.00 0.00 H
+ATOM 213 H1* G A 7 -7.300 13.742 20.828 1.00 0.00 H
+ATOM 214 H8 G A 7 -7.221 17.442 19.675 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.526 14.584 19.873 1.00 0.00 H
+ATOM 216 1H2 G A 7 -1.769 12.438 20.374 1.00 0.00 H
+ATOM 217 2H2 G A 7 -3.335 11.713 20.661 1.00 0.00 H
+ATOM 218 1H2* G A 7 -8.457 16.479 21.172 1.00 0.00 H
+ATOM 219 2H2* G A 7 -8.416 15.066 22.303 1.00 0.00 H
+ATOM 220 P T A 8 -10.673 14.153 23.214 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.890 13.410 23.632 1.00 0.00 O
+ATOM 222 O2P T A 8 -10.568 15.604 23.513 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.377 13.404 23.801 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.318 11.970 23.807 1.00 0.00 C
+ATOM 225 C4* T A 8 -7.891 11.429 23.844 1.00 0.00 C
+ATOM 226 O4* T A 8 -6.971 12.322 23.165 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.384 11.253 25.273 1.00 0.00 C
+ATOM 228 O3* T A 8 -6.841 9.940 25.466 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.322 12.295 25.429 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.853 12.616 24.031 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.437 14.030 23.913 1.00 0.00 N
+ATOM 232 C2 T A 8 -4.156 14.276 23.456 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.384 13.371 23.151 1.00 0.00 O
+ATOM 234 N3 T A 8 -3.792 15.607 23.356 1.00 0.00 N
+ATOM 235 C4 T A 8 -4.586 16.695 23.670 1.00 0.00 C
+ATOM 236 O4 T A 8 -4.158 17.840 23.546 1.00 0.00 O
+ATOM 237 C5 T A 8 -5.908 16.342 24.139 1.00 0.00 C
+ATOM 238 C5M T A 8 -6.889 17.446 24.521 1.00 0.00 C
+ATOM 239 C6 T A 8 -6.288 15.052 24.244 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.767 11.597 22.897 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.887 11.601 24.672 1.00 0.00 H
+ATOM 242 H4* T A 8 -7.870 10.463 23.341 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.191 11.439 25.985 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.749 13.190 25.896 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.496 11.894 26.014 1.00 0.00 H
+ATOM 246 H1* T A 8 -5.005 11.962 23.770 1.00 0.00 H
+ATOM 247 H3 T A 8 -2.860 15.802 23.021 1.00 0.00 H
+ATOM 248 1H5M T A 8 -6.529 17.961 25.411 1.00 0.00 H
+ATOM 249 2H5M T A 8 -7.866 17.008 24.725 1.00 0.00 H
+ATOM 250 3H5M T A 8 -6.975 18.157 23.698 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.293 14.822 24.597 1.00 0.00 H
+ATOM 252 P T A 9 -6.493 9.401 26.941 1.00 0.00 P
+ATOM 253 O1P T A 9 -6.336 7.924 26.891 1.00 0.00 O
+ATOM 254 O2P T A 9 -7.453 9.994 27.906 1.00 0.00 O
+ATOM 255 O5* T A 9 -5.049 10.071 27.162 1.00 0.00 O
+ATOM 256 C5* T A 9 -3.862 9.454 26.644 1.00 0.00 C
+ATOM 257 C4* T A 9 -3.156 10.320 25.604 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.319 11.733 25.893 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.663 10.036 25.581 1.00 0.00 C
+ATOM 260 O3* T A 9 -1.198 9.873 24.242 1.00 0.00 O
+ATOM 261 C2* T A 9 -1.034 11.231 26.222 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.023 12.354 26.049 1.00 0.00 C
+ATOM 263 N1 T A 9 -2.000 13.261 27.211 1.00 0.00 N
+ATOM 264 C2 T A 9 -1.692 14.589 26.980 1.00 0.00 C
+ATOM 265 O2 T A 9 -1.450 15.018 25.855 1.00 0.00 O
+ATOM 266 N3 T A 9 -1.670 15.409 28.093 1.00 0.00 N
+ATOM 267 C4 T A 9 -1.925 15.020 29.396 1.00 0.00 C
+ATOM 268 O4 T A 9 -1.877 15.834 30.315 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.236 13.616 29.539 1.00 0.00 C
+ATOM 270 C5M T A 9 -2.528 13.051 30.924 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.265 12.797 28.469 1.00 0.00 C
+ATOM 272 1H5* T A 9 -4.126 8.527 26.152 1.00 0.00 H
+ATOM 273 2H5* T A 9 -3.185 9.245 27.485 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.573 10.108 24.621 1.00 0.00 H
+ATOM 275 H3* T A 9 -1.444 9.142 26.168 1.00 0.00 H
+ATOM 276 1H2* T A 9 -0.873 11.038 27.290 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.097 11.478 25.708 1.00 0.00 H
+ATOM 278 H1* T A 9 -1.778 12.914 25.147 1.00 0.00 H
+ATOM 279 H3 T A 9 -1.449 16.383 27.940 1.00 0.00 H
+ATOM 280 1H5M T A 9 -1.597 12.960 31.482 1.00 0.00 H
+ATOM 281 2H5M T A 9 -2.989 12.068 30.825 1.00 0.00 H
+ATOM 282 3H5M T A 9 -3.207 13.719 31.455 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.508 11.744 28.608 1.00 0.00 H
+ATOM 284 P A A 10 -0.285 8.617 23.865 1.00 0.00 P
+ATOM 285 O1P A A 10 0.583 8.292 25.025 1.00 0.00 O
+ATOM 286 O2P A A 10 0.339 8.852 22.538 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.414 7.484 23.727 1.00 0.00 O
+ATOM 288 C5* A A 10 -1.047 6.113 23.872 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.753 5.201 22.874 1.00 0.00 C
+ATOM 290 O4* A A 10 -3.003 5.790 22.443 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.878 5.025 21.643 1.00 0.00 C
+ATOM 292 O3* A A 10 -1.086 3.744 21.036 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.354 6.124 20.751 1.00 0.00 C
+ATOM 294 C1* A A 10 -2.812 6.321 21.125 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.283 7.715 21.078 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.593 8.868 21.193 1.00 0.00 C
+ATOM 297 N7 A A 10 -3.263 9.966 21.269 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.572 9.499 21.218 1.00 0.00 C
+ATOM 299 C6 A A 10 -5.808 10.146 21.254 1.00 0.00 C
+ATOM 300 N6 A A 10 -5.930 11.470 21.321 1.00 0.00 N
+ATOM 301 N1 A A 10 -6.911 9.381 21.184 1.00 0.00 N
+ATOM 302 C2 A A 10 -6.806 8.055 21.082 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.684 7.341 21.037 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.597 8.131 21.110 1.00 0.00 C
+ATOM 305 1H5* A A 10 -1.346 5.790 24.843 1.00 0.00 H
+ATOM 306 2H5* A A 10 0.043 6.028 23.778 1.00 0.00 H
+ATOM 307 H4* A A 10 -1.944 4.232 23.332 1.00 0.00 H
+ATOM 308 H3* A A 10 0.176 5.168 21.888 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.410 5.743 20.435 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.532 8.857 21.339 1.00 0.00 H
+ATOM 311 1H6 A A 10 -5.105 12.053 21.349 1.00 0.00 H
+ATOM 312 2H6 A A 10 -6.847 11.891 21.347 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.739 7.497 21.029 1.00 0.00 H
+ATOM 314 1H2* A A 10 -0.776 7.027 20.949 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.277 5.809 19.703 1.00 0.00 H
+ATOM 316 P T A 11 -0.277 3.325 19.713 1.00 0.00 P
+ATOM 317 O1P T A 11 0.234 1.941 19.883 1.00 0.00 O
+ATOM 318 O2P T A 11 0.671 4.412 19.362 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.474 3.313 18.643 1.00 0.00 O
+ATOM 320 C5* T A 11 -2.755 2.781 19.003 1.00 0.00 C
+ATOM 321 C4* T A 11 -3.867 3.245 18.075 1.00 0.00 C
+ATOM 322 O4* T A 11 -3.955 4.691 18.043 1.00 0.00 O
+ATOM 323 C3* T A 11 -3.634 2.767 16.648 1.00 0.00 C
+ATOM 324 O3* T A 11 -4.806 2.136 16.125 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.296 4.006 15.876 1.00 0.00 C
+ATOM 326 C1* T A 11 -3.871 5.151 16.676 1.00 0.00 C
+ATOM 327 N1 T A 11 -3.045 6.375 16.579 1.00 0.00 N
+ATOM 328 C2 T A 11 -3.697 7.541 16.231 1.00 0.00 C
+ATOM 329 O2 T A 11 -4.896 7.567 15.969 1.00 0.00 O
+ATOM 330 N3 T A 11 -2.922 8.681 16.193 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.569 8.761 16.470 1.00 0.00 C
+ATOM 332 O4 T A 11 -0.984 9.843 16.430 1.00 0.00 O
+ATOM 333 C5 T A 11 -0.967 7.496 16.817 1.00 0.00 C
+ATOM 334 C5M T A 11 0.524 7.438 17.130 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.701 6.365 16.862 1.00 0.00 C
+ATOM 336 1H5* T A 11 -3.016 3.117 19.998 1.00 0.00 H
+ATOM 337 2H5* T A 11 -2.690 1.683 18.990 1.00 0.00 H
+ATOM 338 H4* T A 11 -4.815 2.844 18.432 1.00 0.00 H
+ATOM 339 H3* T A 11 -2.789 2.075 16.623 1.00 0.00 H
+ATOM 340 1H2* T A 11 -2.209 4.108 15.793 1.00 0.00 H
+ATOM 341 2H2* T A 11 -3.775 3.970 14.889 1.00 0.00 H
+ATOM 342 H1* T A 11 -4.876 5.366 16.312 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.384 9.529 15.926 1.00 0.00 H
+ATOM 344 1H5M T A 11 0.824 6.401 17.281 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.731 8.013 18.025 1.00 0.00 H
+ATOM 346 3H5M T A 11 1.083 7.859 16.304 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.214 5.428 17.133 1.00 0.00 H
+ATOM 348 P A A 12 -4.823 1.553 14.630 1.00 0.00 P
+ATOM 349 O1P A A 12 -5.746 0.392 14.579 1.00 0.00 O
+ATOM 350 O2P A A 12 -3.423 1.392 14.160 1.00 0.00 O
+ATOM 351 O5* A A 12 -5.495 2.788 13.857 1.00 0.00 O
+ATOM 352 C5* A A 12 -6.718 3.365 14.335 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.287 4.393 13.370 1.00 0.00 C
+ATOM 354 O4* A A 12 -6.619 5.672 13.523 1.00 0.00 O
+ATOM 355 C3* A A 12 -7.094 3.946 11.926 1.00 0.00 C
+ATOM 356 O3* A A 12 -8.296 4.119 11.167 1.00 0.00 O
+ATOM 357 C2* A A 12 -6.003 4.825 11.404 1.00 0.00 C
+ATOM 358 C1* A A 12 -6.024 6.060 12.266 1.00 0.00 C
+ATOM 359 N9 A A 12 -4.670 6.619 12.461 1.00 0.00 N
+ATOM 360 C8 A A 12 -3.502 6.003 12.772 1.00 0.00 C
+ATOM 361 N7 A A 12 -2.457 6.750 12.933 1.00 0.00 N
+ATOM 362 C5 A A 12 -2.985 8.026 12.699 1.00 0.00 C
+ATOM 363 C6 A A 12 -2.421 9.309 12.706 1.00 0.00 C
+ATOM 364 N6 A A 12 -1.137 9.553 12.984 1.00 0.00 N
+ATOM 365 N1 A A 12 -3.236 10.340 12.429 1.00 0.00 N
+ATOM 366 C2 A A 12 -4.522 10.135 12.163 1.00 0.00 C
+ATOM 367 N3 A A 12 -5.160 8.971 12.132 1.00 0.00 N
+ATOM 368 C4 A A 12 -4.328 7.950 12.410 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.534 3.877 15.270 1.00 0.00 H
+ATOM 370 2H5* A A 12 -7.444 2.555 14.495 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.350 4.522 13.569 1.00 0.00 H
+ATOM 372 H3* A A 12 -6.775 2.902 11.900 1.00 0.00 H
+ATOM 373 H1* A A 12 -6.655 6.813 11.792 1.00 0.00 H
+ATOM 374 H8 A A 12 -3.444 4.920 12.880 1.00 0.00 H
+ATOM 375 1H6 A A 12 -0.514 8.790 13.205 1.00 0.00 H
+ATOM 376 2H6 A A 12 -0.786 10.505 12.970 1.00 0.00 H
+ATOM 377 H2 A A 12 -5.117 11.020 11.951 1.00 0.00 H
+ATOM 378 1H2* A A 12 -5.037 4.316 11.501 1.00 0.00 H
+ATOM 379 2H2* A A 12 -6.217 5.094 10.368 1.00 0.00 H
+ATOM 380 P G A 13 -8.341 3.728 9.608 1.00 0.00 P
+ATOM 381 O1P G A 13 -9.652 3.096 9.307 1.00 0.00 O
+ATOM 382 O2P G A 13 -7.092 3.008 9.254 1.00 0.00 O
+ATOM 383 O5* G A 13 -8.304 5.192 8.946 1.00 0.00 O
+ATOM 384 C5* G A 13 -9.245 6.200 9.349 1.00 0.00 C
+ATOM 385 C4* G A 13 -9.031 7.521 8.621 1.00 0.00 C
+ATOM 386 O4* G A 13 -7.808 8.165 9.066 1.00 0.00 O
+ATOM 387 C3* G A 13 -8.910 7.299 7.120 1.00 0.00 C
+ATOM 388 O3* G A 13 -9.701 8.240 6.387 1.00 0.00 O
+ATOM 389 C2* G A 13 -7.456 7.482 6.828 1.00 0.00 C
+ATOM 390 C1* G A 13 -6.908 8.334 7.947 1.00 0.00 C
+ATOM 391 N9 G A 13 -5.538 7.919 8.312 1.00 0.00 N
+ATOM 392 C8 G A 13 -5.053 6.680 8.574 1.00 0.00 C
+ATOM 393 N7 G A 13 -3.825 6.583 8.957 1.00 0.00 N
+ATOM 394 C5 G A 13 -3.419 7.919 8.947 1.00 0.00 C
+ATOM 395 C6 G A 13 -2.162 8.488 9.271 1.00 0.00 C
+ATOM 396 O6 G A 13 -1.136 7.922 9.649 1.00 0.00 O
+ATOM 397 N1 G A 13 -2.177 9.864 9.124 1.00 0.00 N
+ATOM 398 C2 G A 13 -3.257 10.613 8.712 1.00 0.00 C
+ATOM 399 N2 G A 13 -3.048 11.924 8.590 1.00 0.00 N
+ATOM 400 N3 G A 13 -4.450 10.090 8.411 1.00 0.00 N
+ATOM 401 C4 G A 13 -4.462 8.745 8.548 1.00 0.00 C
+ATOM 402 1H5* G A 13 -9.126 6.400 10.404 1.00 0.00 H
+ATOM 403 2H5* G A 13 -10.261 5.825 9.154 1.00 0.00 H
+ATOM 404 H4* G A 13 -9.873 8.181 8.821 1.00 0.00 H
+ATOM 405 H3* G A 13 -9.209 6.279 6.873 1.00 0.00 H
+ATOM 406 H1* G A 13 -6.902 9.381 7.639 1.00 0.00 H
+ATOM 407 H8 G A 13 -5.671 5.797 8.440 1.00 0.00 H
+ATOM 408 H1 G A 13 -1.329 10.332 9.358 1.00 0.00 H
+ATOM 409 1H2 G A 13 -2.145 12.314 8.817 1.00 0.00 H
+ATOM 410 2H2 G A 13 -3.790 12.525 8.265 1.00 0.00 H
+ATOM 411 1H2* G A 13 -6.953 6.509 6.820 1.00 0.00 H
+ATOM 412 2H2* G A 13 -7.340 8.007 5.877 1.00 0.00 H
+ATOM 413 P G A 14 -9.730 8.196 4.781 1.00 0.00 P
+ATOM 414 O1P G A 14 -11.075 8.621 4.314 1.00 0.00 O
+ATOM 415 O2P G A 14 -9.183 6.893 4.322 1.00 0.00 O
+ATOM 416 O5* G A 14 -8.670 9.354 4.443 1.00 0.00 O
+ATOM 417 C5* G A 14 -9.024 10.732 4.619 1.00 0.00 C
+ATOM 418 C4* G A 14 -7.938 11.686 4.137 1.00 0.00 C
+ATOM 419 O4* G A 14 -6.703 11.500 4.881 1.00 0.00 O
+ATOM 420 C3* G A 14 -7.619 11.463 2.664 1.00 0.00 C
+ATOM 421 O3* G A 14 -7.614 12.700 1.946 1.00 0.00 O
+ATOM 422 C2* G A 14 -6.262 10.834 2.655 1.00 0.00 C
+ATOM 423 C1* G A 14 -5.619 11.221 3.962 1.00 0.00 C
+ATOM 424 N9 G A 14 -4.752 10.139 4.464 1.00 0.00 N
+ATOM 425 C8 G A 14 -5.009 8.814 4.583 1.00 0.00 C
+ATOM 426 N7 G A 14 -4.072 8.062 5.046 1.00 0.00 N
+ATOM 427 C5 G A 14 -3.050 8.986 5.265 1.00 0.00 C
+ATOM 428 C6 G A 14 -1.742 8.786 5.768 1.00 0.00 C
+ATOM 429 O6 G A 14 -1.215 7.736 6.131 1.00 0.00 O
+ATOM 430 N1 G A 14 -1.036 9.977 5.829 1.00 0.00 N
+ATOM 431 C2 G A 14 -1.518 11.212 5.456 1.00 0.00 C
+ATOM 432 N2 G A 14 -0.679 12.240 5.599 1.00 0.00 N
+ATOM 433 N3 G A 14 -2.750 11.412 4.980 1.00 0.00 N
+ATOM 434 C4 G A 14 -3.459 10.262 4.911 1.00 0.00 C
+ATOM 435 1H5* G A 14 -9.171 10.931 5.671 1.00 0.00 H
+ATOM 436 2H5* G A 14 -9.959 10.922 4.072 1.00 0.00 H
+ATOM 437 H4* G A 14 -8.280 12.710 4.275 1.00 0.00 H
+ATOM 438 H3* G A 14 -8.347 10.775 2.228 1.00 0.00 H
+ATOM 439 H1* G A 14 -5.024 12.125 3.819 1.00 0.00 H
+ATOM 440 H8 G A 14 -5.968 8.398 4.285 1.00 0.00 H
+ATOM 441 H1 G A 14 -0.102 9.909 6.174 1.00 0.00 H
+ATOM 442 1H2 G A 14 0.254 12.087 5.959 1.00 0.00 H
+ATOM 443 2H2 G A 14 -0.979 13.172 5.353 1.00 0.00 H
+ATOM 444 1H2* G A 14 -6.360 9.742 2.600 1.00 0.00 H
+ATOM 445 2H2* G A 14 -5.673 11.230 1.819 1.00 0.00 H
+ATOM 446 P A A 15 -7.272 12.731 0.378 1.00 0.00 P
+ATOM 447 O1P A A 15 -8.078 13.794 -0.272 1.00 0.00 O
+ATOM 448 O2P A A 15 -7.327 11.346 -0.154 1.00 0.00 O
+ATOM 449 O5* A A 15 -5.738 13.206 0.445 1.00 0.00 O
+ATOM 450 C5* A A 15 -5.361 14.277 1.320 1.00 0.00 C
+ATOM 451 C4* A A 15 -3.881 14.624 1.234 1.00 0.00 C
+ATOM 452 O4* A A 15 -3.077 13.696 2.012 1.00 0.00 O
+ATOM 453 C3* A A 15 -3.382 14.562 -0.202 1.00 0.00 C
+ATOM 454 O3* A A 15 -2.612 15.723 -0.529 1.00 0.00 O
+ATOM 455 C2* A A 15 -2.528 13.338 -0.255 1.00 0.00 C
+ATOM 456 C1* A A 15 -2.074 13.099 1.159 1.00 0.00 C
+ATOM 457 N9 A A 15 -1.908 11.660 1.426 1.00 0.00 N
+ATOM 458 C8 A A 15 -2.738 10.623 1.154 1.00 0.00 C
+ATOM 459 N7 A A 15 -2.335 9.438 1.473 1.00 0.00 N
+ATOM 460 C5 A A 15 -1.081 9.713 2.027 1.00 0.00 C
+ATOM 461 C6 A A 15 -0.091 8.900 2.576 1.00 0.00 C
+ATOM 462 N6 A A 15 -0.194 7.576 2.656 1.00 0.00 N
+ATOM 463 N1 A A 15 1.017 9.500 3.030 1.00 0.00 N
+ATOM 464 C2 A A 15 1.155 10.822 2.951 1.00 0.00 C
+ATOM 465 N3 A A 15 0.286 11.688 2.450 1.00 0.00 N
+ATOM 466 C4 A A 15 -0.819 11.062 2.003 1.00 0.00 C
+ATOM 467 1H5* A A 15 -5.555 13.985 2.343 1.00 0.00 H
+ATOM 468 2H5* A A 15 -5.968 15.158 1.068 1.00 0.00 H
+ATOM 469 H4* A A 15 -3.729 15.632 1.620 1.00 0.00 H
+ATOM 470 H3* A A 15 -4.226 14.457 -0.888 1.00 0.00 H
+ATOM 471 H1* A A 15 -1.122 13.606 1.319 1.00 0.00 H
+ATOM 472 H8 A A 15 -3.706 10.783 0.680 1.00 0.00 H
+ATOM 473 1H6 A A 15 0.556 7.036 3.062 1.00 0.00 H
+ATOM 474 2H6 A A 15 -1.021 7.112 2.310 1.00 0.00 H
+ATOM 475 H2 A A 15 2.081 11.239 3.348 1.00 0.00 H
+ATOM 476 1H2* A A 15 -3.123 12.485 -0.605 1.00 0.00 H
+ATOM 477 2H2* A A 15 -1.662 13.520 -0.900 1.00 0.00 H
+ATOM 478 P T A 16 -1.939 15.875 -1.979 1.00 0.00 P
+ATOM 479 O1P T A 16 -2.089 17.281 -2.434 1.00 0.00 O
+ATOM 480 O2P T A 16 -2.420 14.775 -2.852 1.00 0.00 O
+ATOM 481 O5* T A 16 -0.397 15.607 -1.603 1.00 0.00 O
+ATOM 482 C5* T A 16 0.269 16.443 -0.645 1.00 0.00 C
+ATOM 483 C4* T A 16 1.705 16.007 -0.369 1.00 0.00 C
+ATOM 484 O4* T A 16 1.753 14.683 0.223 1.00 0.00 O
+ATOM 485 C3* T A 16 2.529 15.968 -1.650 1.00 0.00 C
+ATOM 486 O3* T A 16 3.758 16.690 -1.496 1.00 0.00 O
+ATOM 487 C2* T A 16 2.786 14.512 -1.896 1.00 0.00 C
+ATOM 488 C1* T A 16 2.626 13.834 -0.558 1.00 0.00 C
+ATOM 489 N1 T A 16 2.060 12.476 -0.707 1.00 0.00 N
+ATOM 490 C2 T A 16 2.803 11.419 -0.211 1.00 0.00 C
+ATOM 491 O2 T A 16 3.891 11.581 0.333 1.00 0.00 O
+ATOM 492 N3 T A 16 2.247 10.162 -0.369 1.00 0.00 N
+ATOM 493 C4 T A 16 1.036 9.877 -0.974 1.00 0.00 C
+ATOM 494 O4 T A 16 0.647 8.715 -1.075 1.00 0.00 O
+ATOM 495 C5 T A 16 0.332 11.043 -1.457 1.00 0.00 C
+ATOM 496 C5M T A 16 -1.029 10.876 -2.127 1.00 0.00 C
+ATOM 497 C6 T A 16 0.853 12.279 -1.315 1.00 0.00 C
+ATOM 498 1H5* T A 16 -0.260 16.397 0.297 1.00 0.00 H
+ATOM 499 2H5* T A 16 0.258 17.476 -1.023 1.00 0.00 H
+ATOM 500 H4* T A 16 2.161 16.715 0.323 1.00 0.00 H
+ATOM 501 H3* T A 16 1.948 16.384 -2.475 1.00 0.00 H
+ATOM 502 1H2* T A 16 2.048 14.118 -2.605 1.00 0.00 H
+ATOM 503 2H2* T A 16 3.812 14.374 -2.262 1.00 0.00 H
+ATOM 504 H1* T A 16 3.597 13.769 -0.068 1.00 0.00 H
+ATOM 505 H3 T A 16 2.764 9.384 -0.005 1.00 0.00 H
+ATOM 506 1H5M T A 16 -0.911 10.331 -3.053 1.00 0.00 H
+ATOM 507 2H5M T A 16 -1.455 11.858 -2.333 1.00 0.00 H
+ATOM 508 3H5M T A 16 -1.691 10.322 -1.473 1.00 0.00 H
+ATOM 509 H6 T A 16 0.306 13.137 -1.701 1.00 0.00 H
+ATOM 510 H3T T A 16 4.222 16.644 -2.335 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
+MODEL 5
+ATOM 1 O5* A A 1 3.379 1.699 0.080 1.00 0.00 O
+ATOM 2 C5* A A 1 4.751 1.851 -0.311 1.00 0.00 C
+ATOM 3 C4* A A 1 5.279 3.250 -0.030 1.00 0.00 C
+ATOM 4 O4* A A 1 4.433 4.252 -0.654 1.00 0.00 O
+ATOM 5 C3* A A 1 5.292 3.535 1.465 1.00 0.00 C
+ATOM 6 O3* A A 1 6.517 4.158 1.865 1.00 0.00 O
+ATOM 7 C2* A A 1 4.138 4.455 1.685 1.00 0.00 C
+ATOM 8 C1* A A 1 3.892 5.131 0.359 1.00 0.00 C
+ATOM 9 N9 A A 1 2.456 5.374 0.151 1.00 0.00 N
+ATOM 10 C8 A A 1 1.414 4.508 0.180 1.00 0.00 C
+ATOM 11 N7 A A 1 0.236 4.985 -0.045 1.00 0.00 N
+ATOM 12 C5 A A 1 0.516 6.339 -0.253 1.00 0.00 C
+ATOM 13 C6 A A 1 -0.295 7.441 -0.546 1.00 0.00 C
+ATOM 14 N6 A A 1 -1.618 7.353 -0.688 1.00 0.00 N
+ATOM 15 N1 A A 1 0.309 8.636 -0.686 1.00 0.00 N
+ATOM 16 C2 A A 1 1.633 8.742 -0.546 1.00 0.00 C
+ATOM 17 N3 A A 1 2.493 7.767 -0.270 1.00 0.00 N
+ATOM 18 C4 A A 1 1.864 6.582 -0.135 1.00 0.00 C
+ATOM 19 1H5* A A 1 4.842 1.689 -1.377 1.00 0.00 H
+ATOM 20 2H5* A A 1 5.353 1.104 0.229 1.00 0.00 H
+ATOM 21 H4* A A 1 6.291 3.340 -0.424 1.00 0.00 H
+ATOM 22 H3* A A 1 5.137 2.607 2.023 1.00 0.00 H
+ATOM 23 H1* A A 1 4.423 6.079 0.333 1.00 0.00 H
+ATOM 24 H8 A A 1 1.565 3.449 0.390 1.00 0.00 H
+ATOM 25 1H6 A A 1 -2.160 8.179 -0.900 1.00 0.00 H
+ATOM 26 2H6 A A 1 -2.078 6.460 -0.583 1.00 0.00 H
+ATOM 27 H2 A A 1 2.054 9.739 -0.674 1.00 0.00 H
+ATOM 28 1H2* A A 1 3.252 3.880 1.979 1.00 0.00 H
+ATOM 29 2H2* A A 1 4.405 5.202 2.439 1.00 0.00 H
+ATOM 30 H5T A A 1 3.033 0.932 -0.383 1.00 0.00 H
+ATOM 31 P T A 2 6.746 4.594 3.394 1.00 0.00 P
+ATOM 32 O1P T A 2 8.196 4.517 3.710 1.00 0.00 O
+ATOM 33 O2P T A 2 5.776 3.864 4.251 1.00 0.00 O
+ATOM 34 O5* T A 2 6.308 6.139 3.311 1.00 0.00 O
+ATOM 35 C5* T A 2 6.757 6.962 2.223 1.00 0.00 C
+ATOM 36 C4* T A 2 6.427 8.435 2.416 1.00 0.00 C
+ATOM 37 O4* T A 2 5.087 8.739 1.942 1.00 0.00 O
+ATOM 38 C3* T A 2 6.489 8.827 3.885 1.00 0.00 C
+ATOM 39 O3* T A 2 7.235 10.035 4.070 1.00 0.00 O
+ATOM 40 C2* T A 2 5.067 9.026 4.287 1.00 0.00 C
+ATOM 41 C1* T A 2 4.319 9.333 3.014 1.00 0.00 C
+ATOM 42 N1 T A 2 2.935 8.809 3.046 1.00 0.00 N
+ATOM 43 C2 T A 2 1.917 9.703 2.781 1.00 0.00 C
+ATOM 44 O2 T A 2 2.130 10.895 2.566 1.00 0.00 O
+ATOM 45 N3 T A 2 0.639 9.183 2.780 1.00 0.00 N
+ATOM 46 C4 T A 2 0.293 7.867 3.020 1.00 0.00 C
+ATOM 47 O4 T A 2 -0.884 7.512 2.987 1.00 0.00 O
+ATOM 48 C5 T A 2 1.420 7.005 3.292 1.00 0.00 C
+ATOM 49 C5M T A 2 1.182 5.524 3.574 1.00 0.00 C
+ATOM 50 C6 T A 2 2.678 7.488 3.298 1.00 0.00 C
+ATOM 51 1H5* T A 2 6.265 6.649 1.315 1.00 0.00 H
+ATOM 52 2H5* T A 2 7.843 6.832 2.114 1.00 0.00 H
+ATOM 53 H4* T A 2 7.143 9.037 1.855 1.00 0.00 H
+ATOM 54 H3* T A 2 6.931 8.016 4.467 1.00 0.00 H
+ATOM 55 1H2* T A 2 4.678 8.112 4.746 1.00 0.00 H
+ATOM 56 2H2* T A 2 5.003 9.877 4.964 1.00 0.00 H
+ATOM 57 H1* T A 2 4.291 10.414 2.875 1.00 0.00 H
+ATOM 58 H3 T A 2 -0.105 9.823 2.584 1.00 0.00 H
+ATOM 59 1H5M T A 2 2.128 4.986 3.517 1.00 0.00 H
+ATOM 60 2H5M T A 2 0.488 5.121 2.843 1.00 0.00 H
+ATOM 61 3H5M T A 2 0.761 5.408 4.562 1.00 0.00 H
+ATOM 62 H6 T A 2 3.502 6.814 3.512 1.00 0.00 H
+ATOM 63 P C A 3 7.408 10.670 5.534 1.00 0.00 P
+ATOM 64 O1P C A 3 8.736 11.330 5.622 1.00 0.00 O
+ATOM 65 O2P C A 3 7.034 9.653 6.549 1.00 0.00 O
+ATOM 66 O5* C A 3 6.267 11.803 5.488 1.00 0.00 O
+ATOM 67 C5* C A 3 6.245 12.773 4.431 1.00 0.00 C
+ATOM 68 C4* C A 3 5.190 13.852 4.640 1.00 0.00 C
+ATOM 69 O4* C A 3 3.858 13.330 4.399 1.00 0.00 O
+ATOM 70 C3* C A 3 5.223 14.383 6.067 1.00 0.00 C
+ATOM 71 O3* C A 3 5.213 15.814 6.091 1.00 0.00 O
+ATOM 72 C2* C A 3 3.991 13.828 6.710 1.00 0.00 C
+ATOM 73 C1* C A 3 3.041 13.504 5.580 1.00 0.00 C
+ATOM 74 N1 C A 3 2.254 12.279 5.852 1.00 0.00 N
+ATOM 75 C2 C A 3 0.876 12.361 5.732 1.00 0.00 C
+ATOM 76 O2 C A 3 0.336 13.440 5.495 1.00 0.00 O
+ATOM 77 N3 C A 3 0.149 11.224 5.893 1.00 0.00 N
+ATOM 78 C4 C A 3 0.741 10.054 6.161 1.00 0.00 C
+ATOM 79 N4 C A 3 -0.002 8.952 6.292 1.00 0.00 N
+ATOM 80 C5 C A 3 2.159 9.966 6.294 1.00 0.00 C
+ATOM 81 C6 C A 3 2.871 11.097 6.137 1.00 0.00 C
+ATOM 82 1H5* C A 3 6.005 12.280 3.498 1.00 0.00 H
+ATOM 83 2H5* C A 3 7.242 13.231 4.360 1.00 0.00 H
+ATOM 84 H4* C A 3 5.378 14.672 3.950 1.00 0.00 H
+ATOM 85 H3* C A 3 6.110 14.005 6.582 1.00 0.00 H
+ATOM 86 H1* C A 3 2.364 14.344 5.428 1.00 0.00 H
+ATOM 87 1H4 C A 3 -1.008 9.004 6.200 1.00 0.00 H
+ATOM 88 2H4 C A 3 0.441 8.064 6.479 1.00 0.00 H
+ATOM 89 H5 C A 3 2.650 9.011 6.494 1.00 0.00 H
+ATOM 90 H6 C A 3 3.948 11.074 6.266 1.00 0.00 H
+ATOM 91 1H2* C A 3 4.240 12.922 7.271 1.00 0.00 H
+ATOM 92 2H2* C A 3 3.545 14.592 7.354 1.00 0.00 H
+ATOM 93 P C A 4 5.323 16.600 7.487 1.00 0.00 P
+ATOM 94 O1P C A 4 5.906 17.943 7.238 1.00 0.00 O
+ATOM 95 O2P C A 4 5.953 15.709 8.494 1.00 0.00 O
+ATOM 96 O5* C A 4 3.766 16.767 7.840 1.00 0.00 O
+ATOM 97 C5* C A 4 2.878 17.380 6.900 1.00 0.00 C
+ATOM 98 C4* C A 4 1.456 17.499 7.425 1.00 0.00 C
+ATOM 99 O4* C A 4 0.747 16.235 7.322 1.00 0.00 O
+ATOM 100 C3* C A 4 1.441 17.912 8.893 1.00 0.00 C
+ATOM 101 O3* C A 4 0.576 19.032 9.107 1.00 0.00 O
+ATOM 102 C2* C A 4 0.932 16.712 9.622 1.00 0.00 C
+ATOM 103 C1* C A 4 0.156 15.919 8.602 1.00 0.00 C
+ATOM 104 N1 C A 4 0.175 14.461 8.883 1.00 0.00 N
+ATOM 105 C2 C A 4 -1.051 13.811 8.906 1.00 0.00 C
+ATOM 106 O2 C A 4 -2.088 14.438 8.703 1.00 0.00 O
+ATOM 107 N3 C A 4 -1.067 12.478 9.157 1.00 0.00 N
+ATOM 108 C4 C A 4 0.064 11.799 9.377 1.00 0.00 C
+ATOM 109 N4 C A 4 0.008 10.485 9.611 1.00 0.00 N
+ATOM 110 C5 C A 4 1.330 12.460 9.357 1.00 0.00 C
+ATOM 111 C6 C A 4 1.341 13.782 9.106 1.00 0.00 C
+ATOM 112 1H5* C A 4 2.831 16.777 6.004 1.00 0.00 H
+ATOM 113 2H5* C A 4 3.270 18.377 6.653 1.00 0.00 H
+ATOM 114 H4* C A 4 0.925 18.249 6.840 1.00 0.00 H
+ATOM 115 H3* C A 4 2.454 18.145 9.225 1.00 0.00 H
+ATOM 116 H1* C A 4 -0.874 16.271 8.605 1.00 0.00 H
+ATOM 117 1H4 C A 4 -0.882 10.010 9.629 1.00 0.00 H
+ATOM 118 2H4 C A 4 0.859 9.965 9.767 1.00 0.00 H
+ATOM 119 H5 C A 4 2.253 11.915 9.551 1.00 0.00 H
+ATOM 120 H6 C A 4 2.291 14.309 9.070 1.00 0.00 H
+ATOM 121 1H2* C A 4 1.773 16.126 10.006 1.00 0.00 H
+ATOM 122 2H2* C A 4 0.266 17.032 10.423 1.00 0.00 H
+ATOM 123 P T A 5 0.350 19.614 10.587 1.00 0.00 P
+ATOM 124 O1P T A 5 0.341 21.098 10.526 1.00 0.00 O
+ATOM 125 O2P T A 5 1.281 18.931 11.521 1.00 0.00 O
+ATOM 126 O5* T A 5 -1.147 19.093 10.864 1.00 0.00 O
+ATOM 127 C5* T A 5 -2.186 19.352 9.908 1.00 0.00 C
+ATOM 128 C4* T A 5 -3.481 18.606 10.209 1.00 0.00 C
+ATOM 129 O4* T A 5 -3.285 17.169 10.174 1.00 0.00 O
+ATOM 130 C3* T A 5 -4.017 18.963 11.588 1.00 0.00 C
+ATOM 131 O3* T A 5 -5.409 19.291 11.520 1.00 0.00 O
+ATOM 132 C2* T A 5 -3.794 17.730 12.413 1.00 0.00 C
+ATOM 133 C1* T A 5 -3.711 16.591 11.430 1.00 0.00 C
+ATOM 134 N1 T A 5 -2.769 15.547 11.882 1.00 0.00 N
+ATOM 135 C2 T A 5 -3.265 14.264 12.034 1.00 0.00 C
+ATOM 136 O2 T A 5 -4.452 13.996 11.861 1.00 0.00 O
+ATOM 137 N3 T A 5 -2.346 13.298 12.402 1.00 0.00 N
+ATOM 138 C4 T A 5 -1.001 13.498 12.630 1.00 0.00 C
+ATOM 139 O4 T A 5 -0.278 12.555 12.947 1.00 0.00 O
+ATOM 140 C5 T A 5 -0.573 14.871 12.454 1.00 0.00 C
+ATOM 141 C5M T A 5 0.891 15.239 12.665 1.00 0.00 C
+ATOM 142 C6 T A 5 -1.451 15.832 12.095 1.00 0.00 C
+ATOM 143 1H5* T A 5 -1.859 19.028 8.929 1.00 0.00 H
+ATOM 144 2H5* T A 5 -2.375 20.435 9.890 1.00 0.00 H
+ATOM 145 H4* T A 5 -4.225 18.877 9.461 1.00 0.00 H
+ATOM 146 H3* T A 5 -3.448 19.796 12.004 1.00 0.00 H
+ATOM 147 1H2* T A 5 -2.849 17.814 12.962 1.00 0.00 H
+ATOM 148 2H2* T A 5 -4.644 17.576 13.089 1.00 0.00 H
+ATOM 149 H1* T A 5 -4.702 16.153 11.304 1.00 0.00 H
+ATOM 150 H3 T A 5 -2.683 12.361 12.509 1.00 0.00 H
+ATOM 151 1H5M T A 5 1.249 14.789 13.584 1.00 0.00 H
+ATOM 152 2H5M T A 5 0.990 16.322 12.722 1.00 0.00 H
+ATOM 153 3H5M T A 5 1.480 14.869 11.838 1.00 0.00 H
+ATOM 154 H6 T A 5 -1.104 16.857 11.987 1.00 0.00 H
+ATOM 155 P A A 6 -6.086 20.239 12.624 1.00 0.00 P
+ATOM 156 O1P A A 6 -7.153 21.044 11.977 1.00 0.00 O
+ATOM 157 O2P A A 6 -5.017 20.929 13.389 1.00 0.00 O
+ATOM 158 O5* A A 6 -6.769 19.133 13.566 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.750 18.230 13.038 1.00 0.00 C
+ATOM 160 C4* A A 6 -8.192 17.194 14.059 1.00 0.00 C
+ATOM 161 O4* A A 6 -7.274 16.071 14.086 1.00 0.00 O
+ATOM 162 C3* A A 6 -8.221 17.797 15.462 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.437 17.455 16.142 1.00 0.00 O
+ATOM 164 C2* A A 6 -7.038 17.192 16.148 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.786 15.892 15.431 1.00 0.00 C
+ATOM 166 N9 A A 6 -5.362 15.502 15.463 1.00 0.00 N
+ATOM 167 C8 A A 6 -4.234 16.257 15.415 1.00 0.00 C
+ATOM 168 N7 A A 6 -3.103 15.640 15.536 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.522 14.312 15.679 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.831 13.107 15.857 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.503 13.031 15.942 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.564 11.985 15.958 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.897 12.040 15.891 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.646 13.119 15.731 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.892 14.227 15.632 1.00 0.00 C
+ATOM 176 1H5* A A 6 -7.328 17.689 12.203 1.00 0.00 H
+ATOM 177 2H5* A A 6 -8.616 18.816 12.699 1.00 0.00 H
+ATOM 178 H4* A A 6 -9.187 16.836 13.800 1.00 0.00 H
+ATOM 179 H3* A A 6 -8.103 18.880 15.405 1.00 0.00 H
+ATOM 180 H1* A A 6 -7.375 15.111 15.913 1.00 0.00 H
+ATOM 181 H8 A A 6 -4.277 17.336 15.281 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.942 13.870 15.877 1.00 0.00 H
+ATOM 183 2H6 A A 6 -1.056 12.133 16.077 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.429 11.095 15.963 1.00 0.00 H
+ATOM 185 1H2* A A 6 -6.176 17.856 16.040 1.00 0.00 H
+ATOM 186 2H2* A A 6 -7.269 17.002 17.199 1.00 0.00 H
+ATOM 187 P G A 7 -9.884 18.237 17.474 1.00 0.00 P
+ATOM 188 O1P G A 7 -11.314 18.618 17.350 1.00 0.00 O
+ATOM 189 O2P G A 7 -8.878 19.286 17.776 1.00 0.00 O
+ATOM 190 O5* G A 7 -9.751 17.058 18.562 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.095 15.704 18.228 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.463 14.681 19.178 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.057 14.485 18.868 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.550 15.097 20.652 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.112 14.049 21.450 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.138 15.381 21.059 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.262 14.656 20.065 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.030 15.421 19.780 1.00 0.00 N
+ATOM 199 C8 G A 7 -5.869 16.744 19.521 1.00 0.00 C
+ATOM 200 N7 G A 7 -4.670 17.171 19.305 1.00 0.00 N
+ATOM 201 C5 G A 7 -3.921 15.997 19.429 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.520 15.793 19.303 1.00 0.00 C
+ATOM 203 O6 G A 7 -1.647 16.622 19.052 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.178 14.463 19.503 1.00 0.00 N
+ATOM 205 C2 G A 7 -3.068 13.449 19.789 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.544 12.234 19.938 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.387 13.630 19.911 1.00 0.00 N
+ATOM 208 C4 G A 7 -4.746 14.920 19.720 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.724 15.475 17.240 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.193 15.605 18.227 1.00 0.00 H
+ATOM 211 H4* G A 7 -9.976 13.728 19.054 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.141 16.010 20.760 1.00 0.00 H
+ATOM 213 H1* G A 7 -6.995 13.677 20.466 1.00 0.00 H
+ATOM 214 H8 G A 7 -6.721 17.423 19.493 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.195 14.242 19.431 1.00 0.00 H
+ATOM 216 1H2 G A 7 -3.145 11.448 20.142 1.00 0.00 H
+ATOM 217 2H2 G A 7 -1.547 12.098 19.847 1.00 0.00 H
+ATOM 218 1H2* G A 7 -7.947 16.459 21.017 1.00 0.00 H
+ATOM 219 2H2* G A 7 -7.958 14.981 22.063 1.00 0.00 H
+ATOM 220 P T A 8 -10.347 14.257 23.024 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.627 13.609 23.408 1.00 0.00 O
+ATOM 222 O2P T A 8 -10.129 15.687 23.359 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.127 13.392 23.610 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.168 11.960 23.568 1.00 0.00 C
+ATOM 225 C4* T A 8 -7.783 11.334 23.671 1.00 0.00 C
+ATOM 226 O4* T A 8 -6.782 12.179 23.047 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.366 11.132 25.126 1.00 0.00 C
+ATOM 228 O3* T A 8 -6.871 9.800 25.330 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.284 12.141 25.346 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.708 12.419 23.981 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.182 13.798 23.872 1.00 0.00 N
+ATOM 232 C2 T A 8 -3.861 13.940 23.482 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.149 12.972 23.220 1.00 0.00 O
+ATOM 234 N3 T A 8 -3.383 15.234 23.403 1.00 0.00 N
+ATOM 235 C4 T A 8 -4.100 16.385 23.677 1.00 0.00 C
+ATOM 236 O4 T A 8 -3.573 17.491 23.581 1.00 0.00 O
+ATOM 237 C5 T A 8 -5.470 16.143 24.075 1.00 0.00 C
+ATOM 238 C5M T A 8 -6.368 17.327 24.417 1.00 0.00 C
+ATOM 239 C6 T A 8 -5.961 14.889 24.157 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.584 11.643 22.620 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.809 11.605 24.386 1.00 0.00 H
+ATOM 242 H4* T A 8 -7.790 10.368 23.167 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.204 11.336 25.793 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.714 13.059 25.765 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.519 11.725 25.996 1.00 0.00 H
+ATOM 246 H1* T A 8 -4.895 11.706 23.784 1.00 0.00 H
+ATOM 247 H3 T A 8 -2.421 15.352 23.117 1.00 0.00 H
+ATOM 248 1H5M T A 8 -7.113 17.459 23.633 1.00 0.00 H
+ATOM 249 2H5M T A 8 -5.762 18.231 24.498 1.00 0.00 H
+ATOM 250 3H5M T A 8 -6.869 17.139 25.366 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.002 14.743 24.449 1.00 0.00 H
+ATOM 252 P T A 9 -6.547 9.247 26.804 1.00 0.00 P
+ATOM 253 O1P T A 9 -6.457 7.765 26.751 1.00 0.00 O
+ATOM 254 O2P T A 9 -7.478 9.882 27.772 1.00 0.00 O
+ATOM 255 O5* T A 9 -5.074 9.852 27.023 1.00 0.00 O
+ATOM 256 C5* T A 9 -3.926 9.248 26.406 1.00 0.00 C
+ATOM 257 C4* T A 9 -3.124 10.243 25.567 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.353 11.601 26.016 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.627 9.981 25.664 1.00 0.00 C
+ATOM 260 O3* T A 9 -1.010 10.017 24.376 1.00 0.00 O
+ATOM 261 C2* T A 9 -1.102 11.081 26.529 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.107 12.203 26.424 1.00 0.00 C
+ATOM 263 N1 T A 9 -2.274 12.896 27.715 1.00 0.00 N
+ATOM 264 C2 T A 9 -2.074 14.264 27.735 1.00 0.00 C
+ATOM 265 O2 T A 9 -1.749 14.893 26.731 1.00 0.00 O
+ATOM 266 N3 T A 9 -2.267 14.886 28.956 1.00 0.00 N
+ATOM 267 C4 T A 9 -2.635 14.265 30.138 1.00 0.00 C
+ATOM 268 O4 T A 9 -2.781 14.917 31.169 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.820 12.836 30.018 1.00 0.00 C
+ATOM 270 C5M T A 9 -3.237 12.025 31.240 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.638 12.209 28.840 1.00 0.00 C
+ATOM 272 1H5* T A 9 -4.251 8.463 25.736 1.00 0.00 H
+ATOM 273 2H5* T A 9 -3.295 8.822 27.199 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.433 10.161 24.526 1.00 0.00 H
+ATOM 275 H3* T A 9 -1.443 9.017 26.142 1.00 0.00 H
+ATOM 276 1H2* T A 9 -1.026 10.737 27.566 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.133 11.416 26.139 1.00 0.00 H
+ATOM 278 H1* T A 9 -1.781 12.915 25.667 1.00 0.00 H
+ATOM 279 H3 T A 9 -2.127 15.885 28.988 1.00 0.00 H
+ATOM 280 1H5M T A 9 -4.324 11.971 31.286 1.00 0.00 H
+ATOM 281 2H5M T A 9 -2.858 12.504 32.142 1.00 0.00 H
+ATOM 282 3H5M T A 9 -2.827 11.017 31.164 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.789 11.131 28.781 1.00 0.00 H
+ATOM 284 P A A 10 -0.027 8.836 23.934 1.00 0.00 P
+ATOM 285 O1P A A 10 0.897 8.535 25.056 1.00 0.00 O
+ATOM 286 O2P A A 10 0.537 9.147 22.597 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.085 7.636 23.802 1.00 0.00 O
+ATOM 288 C5* A A 10 -0.652 6.287 23.983 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.407 5.308 23.091 1.00 0.00 C
+ATOM 290 O4* A A 10 -2.689 5.868 22.701 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.617 5.069 21.814 1.00 0.00 C
+ATOM 292 O3* A A 10 -0.880 3.769 21.283 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.136 6.125 20.904 1.00 0.00 C
+ATOM 294 C1* A A 10 -2.567 6.332 21.346 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.050 7.716 21.225 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.361 8.875 21.256 1.00 0.00 C
+ATOM 297 N7 A A 10 -3.031 9.973 21.259 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.341 9.502 21.249 1.00 0.00 C
+ATOM 299 C6 A A 10 -5.576 10.148 21.243 1.00 0.00 C
+ATOM 300 N6 A A 10 -5.697 11.472 21.189 1.00 0.00 N
+ATOM 301 N1 A A 10 -6.680 9.378 21.237 1.00 0.00 N
+ATOM 302 C2 A A 10 -6.572 8.049 21.232 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.451 7.334 21.232 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.363 8.130 21.241 1.00 0.00 C
+ATOM 305 1H5* A A 10 -0.854 6.002 24.991 1.00 0.00 H
+ATOM 306 2H5* A A 10 0.428 6.236 23.796 1.00 0.00 H
+ATOM 307 H4* A A 10 -1.560 4.368 23.617 1.00 0.00 H
+ATOM 308 H3* A A 10 0.452 5.208 21.982 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.193 5.712 20.721 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.295 8.875 21.406 1.00 0.00 H
+ATOM 311 1H6 A A 10 -6.615 11.895 21.187 1.00 0.00 H
+ATOM 312 2H6 A A 10 -4.873 12.053 21.149 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.506 7.487 21.227 1.00 0.00 H
+ATOM 314 1H2* A A 10 -0.551 7.036 21.033 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.114 5.766 19.867 1.00 0.00 H
+ATOM 316 P T A 11 -0.222 3.307 19.895 1.00 0.00 P
+ATOM 317 O1P T A 11 0.197 1.888 20.007 1.00 0.00 O
+ATOM 318 O2P T A 11 0.766 4.330 19.466 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.516 3.400 18.947 1.00 0.00 O
+ATOM 320 C5* T A 11 -2.790 2.966 19.441 1.00 0.00 C
+ATOM 321 C4* T A 11 -3.967 3.540 18.663 1.00 0.00 C
+ATOM 322 O4* T A 11 -3.950 4.993 18.646 1.00 0.00 O
+ATOM 323 C3* T A 11 -3.964 3.065 17.216 1.00 0.00 C
+ATOM 324 O3* T A 11 -5.215 2.461 16.875 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.723 4.302 16.405 1.00 0.00 C
+ATOM 326 C1* T A 11 -4.134 5.453 17.288 1.00 0.00 C
+ATOM 327 N1 T A 11 -3.342 6.674 17.004 1.00 0.00 N
+ATOM 328 C2 T A 11 -4.043 7.813 16.655 1.00 0.00 C
+ATOM 329 O2 T A 11 -5.269 7.826 16.566 1.00 0.00 O
+ATOM 330 N3 T A 11 -3.285 8.943 16.411 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.907 9.034 16.492 1.00 0.00 C
+ATOM 332 O4 T A 11 -1.334 10.100 16.272 1.00 0.00 O
+ATOM 333 C5 T A 11 -1.259 7.794 16.861 1.00 0.00 C
+ATOM 334 C5M T A 11 0.259 7.753 16.985 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.975 6.677 17.100 1.00 0.00 C
+ATOM 336 1H5* T A 11 -2.905 3.292 20.466 1.00 0.00 H
+ATOM 337 2H5* T A 11 -2.818 1.867 19.402 1.00 0.00 H
+ATOM 338 H4* T A 11 -4.892 3.210 19.137 1.00 0.00 H
+ATOM 339 H3* T A 11 -3.147 2.357 17.060 1.00 0.00 H
+ATOM 340 1H2* T A 11 -2.658 4.383 16.156 1.00 0.00 H
+ATOM 341 2H2* T A 11 -4.351 4.282 15.507 1.00 0.00 H
+ATOM 342 H1* T A 11 -5.190 5.663 17.126 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.782 9.770 16.134 1.00 0.00 H
+ATOM 344 1H5M T A 11 0.607 6.730 16.849 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.552 8.103 17.964 1.00 0.00 H
+ATOM 346 3H5M T A 11 0.705 8.394 16.231 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.456 5.757 17.364 1.00 0.00 H
+ATOM 348 P A A 12 -5.459 1.867 15.405 1.00 0.00 P
+ATOM 349 O1P A A 12 -6.403 0.724 15.497 1.00 0.00 O
+ATOM 350 O2P A A 12 -4.145 1.675 14.740 1.00 0.00 O
+ATOM 351 O5* A A 12 -6.211 3.110 14.724 1.00 0.00 O
+ATOM 352 C5* A A 12 -7.288 3.763 15.407 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.969 4.818 14.547 1.00 0.00 C
+ATOM 354 O4* A A 12 -7.260 6.084 14.611 1.00 0.00 O
+ATOM 355 C3* A A 12 -8.007 4.392 13.086 1.00 0.00 C
+ATOM 356 O3* A A 12 -9.316 4.566 12.536 1.00 0.00 O
+ATOM 357 C2* A A 12 -7.019 5.283 12.401 1.00 0.00 C
+ATOM 358 C1* A A 12 -6.893 6.503 13.276 1.00 0.00 C
+ATOM 359 N9 A A 12 -5.522 7.056 13.239 1.00 0.00 N
+ATOM 360 C8 A A 12 -4.329 6.443 13.434 1.00 0.00 C
+ATOM 361 N7 A A 12 -3.264 7.176 13.373 1.00 0.00 N
+ATOM 362 C5 A A 12 -3.805 8.437 13.102 1.00 0.00 C
+ATOM 363 C6 A A 12 -3.230 9.702 12.909 1.00 0.00 C
+ATOM 364 N6 A A 12 -1.916 9.938 12.970 1.00 0.00 N
+ATOM 365 N1 A A 12 -4.065 10.722 12.660 1.00 0.00 N
+ATOM 366 C2 A A 12 -5.378 10.528 12.603 1.00 0.00 C
+ATOM 367 N3 A A 12 -6.029 9.384 12.768 1.00 0.00 N
+ATOM 368 C4 A A 12 -5.179 8.369 13.017 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.904 4.270 16.281 1.00 0.00 H
+ATOM 370 2H5* A A 12 -8.018 3.000 15.714 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.987 4.965 14.903 1.00 0.00 H
+ATOM 372 H3* A A 12 -7.692 3.351 12.994 1.00 0.00 H
+ATOM 373 H1* A A 12 -7.597 7.263 12.934 1.00 0.00 H
+ATOM 374 H8 A A 12 -4.268 5.373 13.624 1.00 0.00 H
+ATOM 375 1H6 A A 12 -1.562 10.876 12.822 1.00 0.00 H
+ATOM 376 2H6 A A 12 -1.277 9.183 13.167 1.00 0.00 H
+ATOM 377 H2 A A 12 -5.982 11.408 12.400 1.00 0.00 H
+ATOM 378 1H2* A A 12 -6.050 4.777 12.324 1.00 0.00 H
+ATOM 379 2H2* A A 12 -7.406 5.572 11.420 1.00 0.00 H
+ATOM 380 P G A 13 -9.604 4.212 10.998 1.00 0.00 P
+ATOM 381 O1P G A 13 -10.992 3.697 10.874 1.00 0.00 O
+ATOM 382 O2P G A 13 -8.478 3.399 10.472 1.00 0.00 O
+ATOM 383 O5* G A 13 -9.532 5.682 10.354 1.00 0.00 O
+ATOM 384 C5* G A 13 -10.206 6.785 10.979 1.00 0.00 C
+ATOM 385 C4* G A 13 -10.098 8.070 10.172 1.00 0.00 C
+ATOM 386 O4* G A 13 -8.806 8.704 10.368 1.00 0.00 O
+ATOM 387 C3* G A 13 -10.248 7.793 8.683 1.00 0.00 C
+ATOM 388 O3* G A 13 -11.154 8.715 8.072 1.00 0.00 O
+ATOM 389 C2* G A 13 -8.870 7.950 8.128 1.00 0.00 C
+ATOM 390 C1* G A 13 -8.123 8.830 9.099 1.00 0.00 C
+ATOM 391 N9 G A 13 -6.713 8.409 9.219 1.00 0.00 N
+ATOM 392 C8 G A 13 -6.201 7.171 9.430 1.00 0.00 C
+ATOM 393 N7 G A 13 -4.924 7.062 9.559 1.00 0.00 N
+ATOM 394 C5 G A 13 -4.513 8.388 9.415 1.00 0.00 C
+ATOM 395 C6 G A 13 -3.209 8.940 9.455 1.00 0.00 C
+ATOM 396 O6 G A 13 -2.138 8.364 9.630 1.00 0.00 O
+ATOM 397 N1 G A 13 -3.234 10.311 9.264 1.00 0.00 N
+ATOM 398 C2 G A 13 -4.368 11.069 9.056 1.00 0.00 C
+ATOM 399 N2 G A 13 -4.177 12.376 8.876 1.00 0.00 N
+ATOM 400 N3 G A 13 -5.603 10.559 9.018 1.00 0.00 N
+ATOM 401 C4 G A 13 -5.604 9.220 9.204 1.00 0.00 C
+ATOM 402 1H5* G A 13 -9.756 6.981 11.943 1.00 0.00 H
+ATOM 403 2H5* G A 13 -11.263 6.513 11.113 1.00 0.00 H
+ATOM 404 H4* G A 13 -10.881 8.758 10.487 1.00 0.00 H
+ATOM 405 H3* G A 13 -10.591 6.767 8.530 1.00 0.00 H
+ATOM 406 H1* G A 13 -8.167 9.865 8.762 1.00 0.00 H
+ATOM 407 H8 G A 13 -6.846 6.296 9.473 1.00 0.00 H
+ATOM 408 H1 G A 13 -2.348 10.767 9.295 1.00 0.00 H
+ATOM 409 1H2 G A 13 -4.967 12.982 8.712 1.00 0.00 H
+ATOM 410 2H2 G A 13 -3.242 12.759 8.897 1.00 0.00 H
+ATOM 411 1H2* G A 13 -8.380 6.971 8.056 1.00 0.00 H
+ATOM 412 2H2* G A 13 -8.927 8.444 7.155 1.00 0.00 H
+ATOM 413 P G A 14 -11.467 8.619 6.501 1.00 0.00 P
+ATOM 414 O1P G A 14 -12.920 8.837 6.287 1.00 0.00 O
+ATOM 415 O2P G A 14 -10.827 7.395 5.956 1.00 0.00 O
+ATOM 416 O5* G A 14 -10.663 9.905 5.974 1.00 0.00 O
+ATOM 417 C5* G A 14 -10.778 11.163 6.653 1.00 0.00 C
+ATOM 418 C4* G A 14 -9.919 12.248 6.019 1.00 0.00 C
+ATOM 419 O4* G A 14 -8.522 12.072 6.367 1.00 0.00 O
+ATOM 420 C3* G A 14 -10.022 12.199 4.501 1.00 0.00 C
+ATOM 421 O3* G A 14 -10.217 13.507 3.955 1.00 0.00 O
+ATOM 422 C2* G A 14 -8.717 11.618 4.053 1.00 0.00 C
+ATOM 423 C1* G A 14 -7.737 11.893 5.166 1.00 0.00 C
+ATOM 424 N9 G A 14 -6.781 10.779 5.321 1.00 0.00 N
+ATOM 425 C8 G A 14 -7.016 9.452 5.429 1.00 0.00 C
+ATOM 426 N7 G A 14 -6.002 8.674 5.602 1.00 0.00 N
+ATOM 427 C5 G A 14 -4.945 9.586 5.607 1.00 0.00 C
+ATOM 428 C6 G A 14 -3.553 9.365 5.757 1.00 0.00 C
+ATOM 429 O6 G A 14 -2.959 8.304 5.933 1.00 0.00 O
+ATOM 430 N1 G A 14 -2.845 10.552 5.696 1.00 0.00 N
+ATOM 431 C2 G A 14 -3.394 11.803 5.515 1.00 0.00 C
+ATOM 432 N2 G A 14 -2.537 12.820 5.468 1.00 0.00 N
+ATOM 433 N3 G A 14 -4.702 12.024 5.378 1.00 0.00 N
+ATOM 434 C4 G A 14 -5.417 10.879 5.431 1.00 0.00 C
+ATOM 435 1H5* G A 14 -10.441 11.053 7.673 1.00 0.00 H
+ATOM 436 2H5* G A 14 -11.835 11.468 6.642 1.00 0.00 H
+ATOM 437 H4* G A 14 -10.253 13.222 6.370 1.00 0.00 H
+ATOM 438 H3* G A 14 -10.839 11.538 4.205 1.00 0.00 H
+ATOM 439 H1* G A 14 -7.192 12.812 4.949 1.00 0.00 H
+ATOM 440 H8 G A 14 -8.023 9.052 5.339 1.00 0.00 H
+ATOM 441 H1 G A 14 -1.855 10.470 5.796 1.00 0.00 H
+ATOM 442 1H2 G A 14 -2.877 13.760 5.328 1.00 0.00 H
+ATOM 443 2H2 G A 14 -1.547 12.650 5.566 1.00 0.00 H
+ATOM 444 1H2* G A 14 -8.822 10.536 3.909 1.00 0.00 H
+ATOM 445 2H2* G A 14 -8.387 12.119 3.138 1.00 0.00 H
+ATOM 446 P A A 15 -10.399 13.710 2.373 1.00 0.00 P
+ATOM 447 O1P A A 15 -11.304 14.863 2.137 1.00 0.00 O
+ATOM 448 O2P A A 15 -10.716 12.399 1.753 1.00 0.00 O
+ATOM 449 O5* A A 15 -8.901 14.131 1.969 1.00 0.00 O
+ATOM 450 C5* A A 15 -8.392 15.425 2.314 1.00 0.00 C
+ATOM 451 C4* A A 15 -7.003 15.679 1.745 1.00 0.00 C
+ATOM 452 O4* A A 15 -6.040 14.730 2.277 1.00 0.00 O
+ATOM 453 C3* A A 15 -6.996 15.531 0.228 1.00 0.00 C
+ATOM 454 O3* A A 15 -6.327 16.626 -0.404 1.00 0.00 O
+ATOM 455 C2* A A 15 -6.266 14.255 -0.029 1.00 0.00 C
+ATOM 456 C1* A A 15 -5.408 14.018 1.188 1.00 0.00 C
+ATOM 457 N9 A A 15 -5.292 12.577 1.479 1.00 0.00 N
+ATOM 458 C8 A A 15 -6.247 11.613 1.490 1.00 0.00 C
+ATOM 459 N7 A A 15 -5.871 10.406 1.747 1.00 0.00 N
+ATOM 460 C5 A A 15 -4.497 10.574 1.937 1.00 0.00 C
+ATOM 461 C6 A A 15 -3.468 9.682 2.245 1.00 0.00 C
+ATOM 462 N6 A A 15 -3.660 8.376 2.418 1.00 0.00 N
+ATOM 463 N1 A A 15 -2.232 10.185 2.361 1.00 0.00 N
+ATOM 464 C2 A A 15 -2.008 11.487 2.186 1.00 0.00 C
+ATOM 465 N3 A A 15 -2.904 12.420 1.887 1.00 0.00 N
+ATOM 466 C4 A A 15 -4.138 11.893 1.776 1.00 0.00 C
+ATOM 467 1H5* A A 15 -8.309 15.502 3.391 1.00 0.00 H
+ATOM 468 2H5* A A 15 -9.095 16.186 1.945 1.00 0.00 H
+ATOM 469 H4* A A 15 -6.688 16.688 2.008 1.00 0.00 H
+ATOM 470 H3* A A 15 -8.020 15.452 -0.140 1.00 0.00 H
+ATOM 471 H1* A A 15 -4.415 14.433 1.015 1.00 0.00 H
+ATOM 472 H8 A A 15 -7.291 11.850 1.297 1.00 0.00 H
+ATOM 473 1H6 A A 15 -4.586 7.985 2.329 1.00 0.00 H
+ATOM 474 2H6 A A 15 -2.876 7.778 2.635 1.00 0.00 H
+ATOM 475 H2 A A 15 -0.982 11.824 2.316 1.00 0.00 H
+ATOM 476 1H2* A A 15 -6.984 13.435 -0.149 1.00 0.00 H
+ATOM 477 2H2* A A 15 -5.631 14.368 -0.914 1.00 0.00 H
+ATOM 478 P T A 16 -6.169 16.656 -2.002 1.00 0.00 P
+ATOM 479 O1P T A 16 -6.315 18.056 -2.478 1.00 0.00 O
+ATOM 480 O2P T A 16 -7.027 15.596 -2.590 1.00 0.00 O
+ATOM 481 O5* T A 16 -4.629 16.217 -2.138 1.00 0.00 O
+ATOM 482 C5* T A 16 -3.601 17.013 -1.535 1.00 0.00 C
+ATOM 483 C4* T A 16 -2.206 16.434 -1.726 1.00 0.00 C
+ATOM 484 O4* T A 16 -2.071 15.146 -1.071 1.00 0.00 O
+ATOM 485 C3* T A 16 -1.883 16.237 -3.202 1.00 0.00 C
+ATOM 486 O3* T A 16 -0.633 16.847 -3.540 1.00 0.00 O
+ATOM 487 C2* T A 16 -1.828 14.750 -3.389 1.00 0.00 C
+ATOM 488 C1* T A 16 -1.571 14.174 -2.018 1.00 0.00 C
+ATOM 489 N1 T A 16 -2.236 12.862 -1.848 1.00 0.00 N
+ATOM 490 C2 T A 16 -1.441 11.789 -1.489 1.00 0.00 C
+ATOM 491 O2 T A 16 -0.228 11.900 -1.320 1.00 0.00 O
+ATOM 492 N3 T A 16 -2.090 10.577 -1.337 1.00 0.00 N
+ATOM 493 C4 T A 16 -3.441 10.349 -1.512 1.00 0.00 C
+ATOM 494 O4 T A 16 -3.909 9.223 -1.354 1.00 0.00 O
+ATOM 495 C5 T A 16 -4.191 11.527 -1.887 1.00 0.00 C
+ATOM 496 C5M T A 16 -5.695 11.418 -2.115 1.00 0.00 C
+ATOM 497 C6 T A 16 -3.583 12.720 -2.039 1.00 0.00 C
+ATOM 498 1H5* T A 16 -3.774 17.071 -0.469 1.00 0.00 H
+ATOM 499 2H5* T A 16 -3.648 18.022 -1.971 1.00 0.00 H
+ATOM 500 H4* T A 16 -1.479 17.121 -1.296 1.00 0.00 H
+ATOM 501 H3* T A 16 -2.686 16.654 -3.814 1.00 0.00 H
+ATOM 502 1H2* T A 16 -2.787 14.388 -3.775 1.00 0.00 H
+ATOM 503 2H2* T A 16 -0.998 14.493 -4.060 1.00 0.00 H
+ATOM 504 H1* T A 16 -0.497 14.055 -1.876 1.00 0.00 H
+ATOM 505 H3 T A 16 -1.529 9.791 -1.066 1.00 0.00 H
+ATOM 506 1H5M T A 16 -6.143 10.830 -1.321 1.00 0.00 H
+ATOM 507 2H5M T A 16 -5.883 10.932 -3.062 1.00 0.00 H
+ATOM 508 3H5M T A 16 -6.136 12.416 -2.128 1.00 0.00 H
+ATOM 509 H6 T A 16 -4.178 13.588 -2.319 1.00 0.00 H
+ATOM 510 H3T T A 16 0.026 16.501 -2.935 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
+MODEL 6
+ATOM 1 O5* A A 1 7.951 1.238 1.342 1.00 0.00 O
+ATOM 2 C5* A A 1 9.332 1.627 1.278 1.00 0.00 C
+ATOM 3 C4* A A 1 9.561 3.040 1.791 1.00 0.00 C
+ATOM 4 O4* A A 1 8.734 3.994 1.076 1.00 0.00 O
+ATOM 5 C3* A A 1 9.205 3.149 3.267 1.00 0.00 C
+ATOM 6 O3* A A 1 10.217 3.855 3.991 1.00 0.00 O
+ATOM 7 C2* A A 1 7.917 3.904 3.293 1.00 0.00 C
+ATOM 8 C1* A A 1 7.878 4.692 2.010 1.00 0.00 C
+ATOM 9 N9 A A 1 6.500 4.808 1.496 1.00 0.00 N
+ATOM 10 C8 A A 1 5.580 3.843 1.247 1.00 0.00 C
+ATOM 11 N7 A A 1 4.436 4.217 0.776 1.00 0.00 N
+ATOM 12 C5 A A 1 4.603 5.604 0.698 1.00 0.00 C
+ATOM 13 C6 A A 1 3.763 6.642 0.275 1.00 0.00 C
+ATOM 14 N6 A A 1 2.523 6.443 -0.177 1.00 0.00 N
+ATOM 15 N1 A A 1 4.250 7.895 0.333 1.00 0.00 N
+ATOM 16 C2 A A 1 5.486 8.119 0.780 1.00 0.00 C
+ATOM 17 N3 A A 1 6.363 7.216 1.204 1.00 0.00 N
+ATOM 18 C4 A A 1 5.856 5.969 1.136 1.00 0.00 C
+ATOM 19 1H5* A A 1 9.662 1.609 0.249 1.00 0.00 H
+ATOM 20 2H5* A A 1 9.923 0.911 1.869 1.00 0.00 H
+ATOM 21 H4* A A 1 10.609 3.306 1.654 1.00 0.00 H
+ATOM 22 H3* A A 1 9.062 2.153 3.689 1.00 0.00 H
+ATOM 23 H1* A A 1 8.279 5.690 2.190 1.00 0.00 H
+ATOM 24 H8 A A 1 5.796 2.792 1.442 1.00 0.00 H
+ATOM 25 1H6 A A 1 1.960 7.230 -0.471 1.00 0.00 H
+ATOM 26 2H6 A A 1 2.148 5.509 -0.226 1.00 0.00 H
+ATOM 27 H2 A A 1 5.810 9.159 0.804 1.00 0.00 H
+ATOM 28 1H2* A A 1 7.075 3.202 3.325 1.00 0.00 H
+ATOM 29 2H2* A A 1 7.910 4.585 4.148 1.00 0.00 H
+ATOM 30 H5T A A 1 7.913 0.293 1.179 1.00 0.00 H
+ATOM 31 P T A 2 10.047 4.134 5.563 1.00 0.00 P
+ATOM 32 O1P T A 2 11.386 4.111 6.205 1.00 0.00 O
+ATOM 33 O2P T A 2 8.972 3.259 6.094 1.00 0.00 O
+ATOM 34 O5* T A 2 9.513 5.652 5.521 1.00 0.00 O
+ATOM 35 C5* T A 2 10.139 6.613 4.660 1.00 0.00 C
+ATOM 36 C4* T A 2 9.527 8.004 4.776 1.00 0.00 C
+ATOM 37 O4* T A 2 8.264 8.094 4.065 1.00 0.00 O
+ATOM 38 C3* T A 2 9.260 8.370 6.229 1.00 0.00 C
+ATOM 39 O3* T A 2 9.796 9.661 6.536 1.00 0.00 O
+ATOM 40 C2* T A 2 7.771 8.369 6.359 1.00 0.00 C
+ATOM 41 C1* T A 2 7.234 8.570 4.964 1.00 0.00 C
+ATOM 42 N1 T A 2 5.962 7.844 4.748 1.00 0.00 N
+ATOM 43 C2 T A 2 4.886 8.574 4.286 1.00 0.00 C
+ATOM 44 O2 T A 2 4.941 9.791 4.125 1.00 0.00 O
+ATOM 45 N3 T A 2 3.734 7.857 4.030 1.00 0.00 N
+ATOM 46 C4 T A 2 3.563 6.496 4.196 1.00 0.00 C
+ATOM 47 O4 T A 2 2.488 5.961 3.934 1.00 0.00 O
+ATOM 48 C5 T A 2 4.737 5.818 4.688 1.00 0.00 C
+ATOM 49 C5M T A 2 4.695 4.310 4.907 1.00 0.00 C
+ATOM 50 C6 T A 2 5.874 6.493 4.944 1.00 0.00 C
+ATOM 51 1H5* T A 2 10.020 6.304 3.632 1.00 0.00 H
+ATOM 52 2H5* T A 2 11.209 6.655 4.910 1.00 0.00 H
+ATOM 53 H4* T A 2 10.219 8.729 4.352 1.00 0.00 H
+ATOM 54 H3* T A 2 9.691 7.614 6.889 1.00 0.00 H
+ATOM 55 1H2* T A 2 7.433 7.406 6.759 1.00 0.00 H
+ATOM 56 2H2* T A 2 7.464 9.200 6.996 1.00 0.00 H
+ATOM 57 H1* T A 2 7.075 9.635 4.792 1.00 0.00 H
+ATOM 58 H3 T A 2 2.955 8.369 3.676 1.00 0.00 H
+ATOM 59 1H5M T A 2 3.969 4.077 5.674 1.00 0.00 H
+ATOM 60 2H5M T A 2 5.680 3.959 5.216 1.00 0.00 H
+ATOM 61 3H5M T A 2 4.405 3.818 3.986 1.00 0.00 H
+ATOM 62 H6 T A 2 6.737 5.951 5.323 1.00 0.00 H
+ATOM 63 P C A 3 9.624 10.294 8.002 1.00 0.00 P
+ATOM 64 O1P C A 3 10.827 11.105 8.319 1.00 0.00 O
+ATOM 65 O2P C A 3 9.197 9.227 8.943 1.00 0.00 O
+ATOM 66 O5* C A 3 8.386 11.282 7.736 1.00 0.00 O
+ATOM 67 C5* C A 3 8.363 12.108 6.563 1.00 0.00 C
+ATOM 68 C4* C A 3 7.190 13.078 6.546 1.00 0.00 C
+ATOM 69 O4* C A 3 5.995 12.446 6.019 1.00 0.00 O
+ATOM 70 C3* C A 3 6.860 13.576 7.948 1.00 0.00 C
+ATOM 71 O3* C A 3 6.716 15.000 7.973 1.00 0.00 O
+ATOM 72 C2* C A 3 5.568 12.912 8.299 1.00 0.00 C
+ATOM 73 C1* C A 3 4.922 12.551 6.983 1.00 0.00 C
+ATOM 74 N1 C A 3 4.157 11.286 7.076 1.00 0.00 N
+ATOM 75 C2 C A 3 2.830 11.312 6.684 1.00 0.00 C
+ATOM 76 O2 C A 3 2.312 12.364 6.317 1.00 0.00 O
+ATOM 77 N3 C A 3 2.128 10.154 6.725 1.00 0.00 N
+ATOM 78 C4 C A 3 2.693 9.012 7.132 1.00 0.00 C
+ATOM 79 N4 C A 3 1.969 7.894 7.151 1.00 0.00 N
+ATOM 80 C5 C A 3 4.059 8.978 7.543 1.00 0.00 C
+ATOM 81 C6 C A 3 4.749 10.132 7.501 1.00 0.00 C
+ATOM 82 1H5* C A 3 8.263 11.482 5.686 1.00 0.00 H
+ATOM 83 2H5* C A 3 9.310 12.664 6.512 1.00 0.00 H
+ATOM 84 H4* C A 3 7.444 13.930 5.916 1.00 0.00 H
+ATOM 85 H3* C A 3 7.639 13.261 8.645 1.00 0.00 H
+ATOM 86 H1* C A 3 4.252 13.357 6.685 1.00 0.00 H
+ATOM 87 1H4 C A 3 1.003 7.914 6.861 1.00 0.00 H
+ATOM 88 2H4 C A 3 2.387 7.027 7.456 1.00 0.00 H
+ATOM 89 H5 C A 3 4.530 8.050 7.868 1.00 0.00 H
+ATOM 90 H6 C A 3 5.783 10.147 7.825 1.00 0.00 H
+ATOM 91 1H2* C A 3 5.760 12.008 8.887 1.00 0.00 H
+ATOM 92 2H2* C A 3 4.933 13.620 8.839 1.00 0.00 H
+ATOM 93 P C A 4 6.335 15.759 9.337 1.00 0.00 P
+ATOM 94 O1P C A 4 6.883 17.137 9.290 1.00 0.00 O
+ATOM 95 O2P C A 4 6.672 14.882 10.488 1.00 0.00 O
+ATOM 96 O5* C A 4 4.735 15.827 9.185 1.00 0.00 O
+ATOM 97 C5* C A 4 4.143 16.237 7.945 1.00 0.00 C
+ATOM 98 C4* C A 4 2.633 16.415 8.035 1.00 0.00 C
+ATOM 99 O4* C A 4 1.941 15.158 7.826 1.00 0.00 O
+ATOM 100 C3* C A 4 2.218 16.947 9.402 1.00 0.00 C
+ATOM 101 O3* C A 4 1.361 18.086 9.273 1.00 0.00 O
+ATOM 102 C2* C A 4 1.501 15.806 10.055 1.00 0.00 C
+ATOM 103 C1* C A 4 1.043 14.912 8.930 1.00 0.00 C
+ATOM 104 N1 C A 4 1.047 13.482 9.320 1.00 0.00 N
+ATOM 105 C2 C A 4 -0.133 12.775 9.150 1.00 0.00 C
+ATOM 106 O2 C A 4 -1.135 13.338 8.713 1.00 0.00 O
+ATOM 107 N3 C A 4 -0.147 11.458 9.476 1.00 0.00 N
+ATOM 108 C4 C A 4 0.946 10.847 9.947 1.00 0.00 C
+ATOM 109 N4 C A 4 0.895 9.545 10.250 1.00 0.00 N
+ATOM 110 C5 C A 4 2.167 11.567 10.127 1.00 0.00 C
+ATOM 111 C6 C A 4 2.173 12.877 9.803 1.00 0.00 C
+ATOM 112 1H5* C A 4 4.325 15.481 7.195 1.00 0.00 H
+ATOM 113 2H5* C A 4 4.612 17.182 7.634 1.00 0.00 H
+ATOM 114 H4* C A 4 2.314 17.121 7.269 1.00 0.00 H
+ATOM 115 H3* C A 4 3.106 17.206 9.982 1.00 0.00 H
+ATOM 116 H1* C A 4 0.035 15.203 8.638 1.00 0.00 H
+ATOM 117 1H4 C A 4 0.035 9.026 10.128 1.00 0.00 H
+ATOM 118 2H4 C A 4 1.715 9.078 10.602 1.00 0.00 H
+ATOM 119 H5 C A 4 3.062 11.073 10.504 1.00 0.00 H
+ATOM 120 H6 C A 4 3.083 13.456 9.931 1.00 0.00 H
+ATOM 121 1H2* C A 4 2.189 15.263 10.713 1.00 0.00 H
+ATOM 122 2H2* C A 4 0.630 16.184 10.602 1.00 0.00 H
+ATOM 123 P T A 5 1.013 18.992 10.554 1.00 0.00 P
+ATOM 124 O1P T A 5 0.863 20.404 10.119 1.00 0.00 O
+ATOM 125 O2P T A 5 1.966 18.664 11.646 1.00 0.00 O
+ATOM 126 O5* T A 5 -0.433 18.407 10.931 1.00 0.00 O
+ATOM 127 C5* T A 5 -1.535 18.564 10.028 1.00 0.00 C
+ATOM 128 C4* T A 5 -2.800 17.878 10.522 1.00 0.00 C
+ATOM 129 O4* T A 5 -2.635 16.438 10.547 1.00 0.00 O
+ATOM 130 C3* T A 5 -3.165 18.328 11.934 1.00 0.00 C
+ATOM 131 O3* T A 5 -4.524 18.771 12.011 1.00 0.00 O
+ATOM 132 C2* T A 5 -2.944 17.121 12.791 1.00 0.00 C
+ATOM 133 C1* T A 5 -2.980 15.935 11.856 1.00 0.00 C
+ATOM 134 N1 T A 5 -2.054 14.854 12.279 1.00 0.00 N
+ATOM 135 C2 T A 5 -2.564 13.568 12.307 1.00 0.00 C
+ATOM 136 O2 T A 5 -3.732 13.322 12.018 1.00 0.00 O
+ATOM 137 N3 T A 5 -1.684 12.569 12.687 1.00 0.00 N
+ATOM 138 C4 T A 5 -0.362 12.736 13.041 1.00 0.00 C
+ATOM 139 O4 T A 5 0.322 11.762 13.354 1.00 0.00 O
+ATOM 140 C5 T A 5 0.090 14.111 12.990 1.00 0.00 C
+ATOM 141 C5M T A 5 1.520 14.452 13.398 1.00 0.00 C
+ATOM 142 C6 T A 5 -0.743 15.107 12.615 1.00 0.00 C
+ATOM 143 1H5* T A 5 -1.286 18.112 9.076 1.00 0.00 H
+ATOM 144 2H5* T A 5 -1.722 19.639 9.889 1.00 0.00 H
+ATOM 145 H4* T A 5 -3.623 18.124 9.850 1.00 0.00 H
+ATOM 146 H3* T A 5 -2.491 19.127 12.249 1.00 0.00 H
+ATOM 147 1H2* T A 5 -1.974 17.192 13.291 1.00 0.00 H
+ATOM 148 2H2* T A 5 -3.764 17.040 13.513 1.00 0.00 H
+ATOM 149 H1* T A 5 -3.997 15.541 11.825 1.00 0.00 H
+ATOM 150 H3 T A 5 -2.035 11.630 12.701 1.00 0.00 H
+ATOM 151 1H5M T A 5 1.644 15.535 13.418 1.00 0.00 H
+ATOM 152 2H5M T A 5 2.215 14.024 12.692 1.00 0.00 H
+ATOM 153 3H5M T A 5 1.722 14.046 14.382 1.00 0.00 H
+ATOM 154 H6 T A 5 -0.356 16.122 12.555 1.00 0.00 H
+ATOM 155 P A A 6 -4.970 19.819 13.147 1.00 0.00 P
+ATOM 156 O1P A A 6 -5.897 20.812 12.548 1.00 0.00 O
+ATOM 157 O2P A A 6 -3.761 20.296 13.866 1.00 0.00 O
+ATOM 158 O5* A A 6 -5.805 18.852 14.118 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.192 18.593 13.863 1.00 0.00 C
+ATOM 160 C4* A A 6 -7.701 17.368 14.607 1.00 0.00 C
+ATOM 161 O4* A A 6 -6.824 16.230 14.393 1.00 0.00 O
+ATOM 162 C3* A A 6 -7.764 17.626 16.110 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.036 17.242 16.654 1.00 0.00 O
+ATOM 164 C2* A A 6 -6.669 16.783 16.681 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.429 15.693 15.673 1.00 0.00 C
+ATOM 166 N9 A A 6 -5.021 15.253 15.692 1.00 0.00 N
+ATOM 167 C8 A A 6 -3.876 15.979 15.740 1.00 0.00 C
+ATOM 168 N7 A A 6 -2.764 15.329 15.864 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.217 14.006 15.902 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.560 12.775 16.028 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.238 12.659 16.165 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.320 11.668 16.025 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.646 11.757 15.907 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.366 12.862 15.788 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.587 13.957 15.792 1.00 0.00 C
+ATOM 176 1H5* A A 6 -7.333 18.401 12.808 1.00 0.00 H
+ATOM 177 2H5* A A 6 -7.771 19.478 14.159 1.00 0.00 H
+ATOM 178 H4* A A 6 -8.698 17.120 14.244 1.00 0.00 H
+ATOM 179 H3* A A 6 -7.566 18.681 16.316 1.00 0.00 H
+ATOM 180 H1* A A 6 -7.069 14.844 15.911 1.00 0.00 H
+ATOM 181 H8 A A 6 -3.892 17.067 15.679 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.657 13.485 16.182 1.00 0.00 H
+ATOM 183 2H6 A A 6 -0.819 11.743 16.262 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.199 10.820 15.900 1.00 0.00 H
+ATOM 185 1H2* A A 6 -5.761 17.387 16.800 1.00 0.00 H
+ATOM 186 2H2* A A 6 -6.993 16.346 17.630 1.00 0.00 H
+ATOM 187 P G A 7 -9.716 18.094 17.835 1.00 0.00 P
+ATOM 188 O1P G A 7 -10.985 18.682 17.332 1.00 0.00 O
+ATOM 189 O2P G A 7 -8.692 18.992 18.426 1.00 0.00 O
+ATOM 190 O5* G A 7 -10.062 16.930 18.900 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.279 15.569 18.491 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.633 14.560 19.445 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.207 14.475 19.201 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.819 14.926 20.926 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.251 13.786 21.679 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.466 15.380 21.378 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.482 14.754 20.421 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.331 15.643 20.162 1.00 0.00 N
+ATOM 199 C8 G A 7 -6.293 16.981 19.928 1.00 0.00 C
+ATOM 200 N7 G A 7 -5.138 17.519 19.724 1.00 0.00 N
+ATOM 201 C5 G A 7 -4.285 16.416 19.831 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.872 16.341 19.706 1.00 0.00 C
+ATOM 203 O6 G A 7 -2.079 17.251 19.471 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.412 15.042 19.885 1.00 0.00 N
+ATOM 205 C2 G A 7 -3.209 13.946 20.151 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.578 12.779 20.301 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.539 14.009 20.268 1.00 0.00 N
+ATOM 208 C4 G A 7 -5.009 15.265 20.099 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.825 15.407 17.526 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.365 15.388 18.411 1.00 0.00 H
+ATOM 211 H4* G A 7 -10.073 13.578 19.269 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.532 15.746 21.037 1.00 0.00 H
+ATOM 213 H1* G A 7 -7.120 13.818 20.843 1.00 0.00 H
+ATOM 214 H8 G A 7 -7.204 17.580 19.908 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.414 14.912 19.811 1.00 0.00 H
+ATOM 216 1H2 G A 7 -3.105 11.941 20.507 1.00 0.00 H
+ATOM 217 2H2 G A 7 -1.574 12.734 20.210 1.00 0.00 H
+ATOM 218 1H2* G A 7 -8.404 16.472 21.327 1.00 0.00 H
+ATOM 219 2H2* G A 7 -8.277 15.012 22.392 1.00 0.00 H
+ATOM 220 P T A 8 -10.557 13.904 23.252 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.808 13.162 23.553 1.00 0.00 O
+ATOM 222 O2P T A 8 -10.443 15.328 23.660 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.309 13.084 23.852 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.284 11.649 23.793 1.00 0.00 C
+ATOM 225 C4* T A 8 -7.866 11.091 23.734 1.00 0.00 C
+ATOM 226 O4* T A 8 -6.969 12.027 23.084 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.300 10.810 25.123 1.00 0.00 C
+ATOM 228 O3* T A 8 -6.709 9.502 25.164 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.271 11.874 25.335 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.855 12.326 23.957 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.527 13.770 23.932 1.00 0.00 N
+ATOM 232 C2 T A 8 -4.283 14.128 23.443 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.469 13.294 23.052 1.00 0.00 O
+ATOM 234 N3 T A 8 -4.004 15.484 23.424 1.00 0.00 N
+ATOM 235 C4 T A 8 -4.848 16.497 23.848 1.00 0.00 C
+ATOM 236 O4 T A 8 -4.494 17.673 23.790 1.00 0.00 O
+ATOM 237 C5 T A 8 -6.122 16.031 24.343 1.00 0.00 C
+ATOM 238 C5M T A 8 -7.143 17.047 24.848 1.00 0.00 C
+ATOM 239 C6 T A 8 -6.421 14.716 24.371 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.784 11.322 22.891 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.816 11.252 24.670 1.00 0.00 H
+ATOM 242 H4* T A 8 -7.876 10.164 23.164 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.083 10.896 25.879 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.713 12.711 25.888 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.414 11.455 25.861 1.00 0.00 H
+ATOM 246 H1* T A 8 -4.977 11.748 23.639 1.00 0.00 H
+ATOM 247 H3 T A 8 -3.103 15.761 23.060 1.00 0.00 H
+ATOM 248 1H5M T A 8 -7.417 17.720 24.036 1.00 0.00 H
+ATOM 249 2H5M T A 8 -6.709 17.622 25.667 1.00 0.00 H
+ATOM 250 3H5M T A 8 -8.032 16.525 25.203 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.396 14.402 24.742 1.00 0.00 H
+ATOM 252 P T A 9 -6.008 8.930 26.493 1.00 0.00 P
+ATOM 253 O1P T A 9 -6.715 7.694 26.913 1.00 0.00 O
+ATOM 254 O2P T A 9 -5.832 10.032 27.472 1.00 0.00 O
+ATOM 255 O5* T A 9 -4.571 8.525 25.889 1.00 0.00 O
+ATOM 256 C5* T A 9 -3.361 9.120 26.384 1.00 0.00 C
+ATOM 257 C4* T A 9 -2.784 10.154 25.413 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.274 11.487 25.708 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.258 10.217 25.462 1.00 0.00 C
+ATOM 260 O3* T A 9 -0.710 10.143 24.145 1.00 0.00 O
+ATOM 261 C2* T A 9 -0.945 11.542 26.083 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.164 12.399 25.851 1.00 0.00 C
+ATOM 263 N1 T A 9 -2.393 13.353 26.960 1.00 0.00 N
+ATOM 264 C2 T A 9 -2.498 14.694 26.633 1.00 0.00 C
+ATOM 265 O2 T A 9 -2.396 15.095 25.476 1.00 0.00 O
+ATOM 266 N3 T A 9 -2.725 15.561 27.686 1.00 0.00 N
+ATOM 267 C4 T A 9 -2.853 15.208 29.018 1.00 0.00 C
+ATOM 268 O4 T A 9 -3.054 16.064 29.878 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.727 13.789 29.262 1.00 0.00 C
+ATOM 270 C5M T A 9 -2.841 13.258 30.686 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.507 12.925 28.253 1.00 0.00 C
+ATOM 272 1H5* T A 9 -2.617 8.346 26.510 1.00 0.00 H
+ATOM 273 2H5* T A 9 -3.579 9.584 27.355 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.089 9.890 24.404 1.00 0.00 H
+ATOM 275 H3* T A 9 -0.858 9.414 26.084 1.00 0.00 H
+ATOM 276 1H2* T A 9 -0.769 11.417 27.159 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.077 11.985 25.579 1.00 0.00 H
+ATOM 278 H1* T A 9 -2.035 12.953 24.922 1.00 0.00 H
+ATOM 279 H3 T A 9 -2.807 16.542 27.461 1.00 0.00 H
+ATOM 280 1H5M T A 9 -2.137 12.437 30.825 1.00 0.00 H
+ATOM 281 2H5M T A 9 -3.856 12.898 30.860 1.00 0.00 H
+ATOM 282 3H5M T A 9 -2.612 14.055 31.393 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.425 11.866 28.473 1.00 0.00 H
+ATOM 284 P A A 10 0.089 8.842 23.671 1.00 0.00 P
+ATOM 285 O1P A A 10 1.055 8.460 24.731 1.00 0.00 O
+ATOM 286 O2P A A 10 0.583 9.055 22.287 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.107 7.769 23.648 1.00 0.00 O
+ATOM 288 C5* A A 10 -0.806 6.387 23.845 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.625 5.461 22.952 1.00 0.00 C
+ATOM 290 O4* A A 10 -2.870 6.088 22.565 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.848 5.157 21.679 1.00 0.00 C
+ATOM 292 O3* A A 10 -1.152 3.844 21.195 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.341 6.203 20.737 1.00 0.00 C
+ATOM 294 C1* A A 10 -2.751 6.503 21.198 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.159 7.909 21.070 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.413 9.033 21.094 1.00 0.00 C
+ATOM 297 N7 A A 10 -3.031 10.166 21.141 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.362 9.753 21.172 1.00 0.00 C
+ATOM 299 C6 A A 10 -5.566 10.454 21.227 1.00 0.00 C
+ATOM 300 N6 A A 10 -5.630 11.781 21.242 1.00 0.00 N
+ATOM 301 N1 A A 10 -6.702 9.736 21.243 1.00 0.00 N
+ATOM 302 C2 A A 10 -6.657 8.403 21.205 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.572 7.640 21.151 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.449 8.386 21.136 1.00 0.00 C
+ATOM 305 1H5* A A 10 -1.053 6.136 24.853 1.00 0.00 H
+ATOM 306 2H5* A A 10 0.270 6.235 23.687 1.00 0.00 H
+ATOM 307 H4* A A 10 -1.835 4.533 23.482 1.00 0.00 H
+ATOM 308 H3* A A 10 0.223 5.271 21.838 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.428 5.908 20.602 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.345 8.977 21.199 1.00 0.00 H
+ATOM 311 1H6 A A 10 -6.528 12.240 21.282 1.00 0.00 H
+ATOM 312 2H6 A A 10 -4.783 12.328 21.213 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.614 7.884 21.224 1.00 0.00 H
+ATOM 314 1H2* A A 10 -0.711 7.091 20.812 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.363 5.803 19.715 1.00 0.00 H
+ATOM 316 P T A 11 -0.475 3.290 19.849 1.00 0.00 P
+ATOM 317 O1P T A 11 -0.037 1.888 20.070 1.00 0.00 O
+ATOM 318 O2P T A 11 0.506 4.290 19.356 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.753 3.287 18.876 1.00 0.00 O
+ATOM 320 C5* T A 11 -3.023 2.831 19.356 1.00 0.00 C
+ATOM 321 C4* T A 11 -4.184 3.314 18.499 1.00 0.00 C
+ATOM 322 O4* T A 11 -4.196 4.760 18.399 1.00 0.00 O
+ATOM 323 C3* T A 11 -4.091 2.756 17.085 1.00 0.00 C
+ATOM 324 O3* T A 11 -5.332 2.164 16.685 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.750 3.937 16.228 1.00 0.00 C
+ATOM 326 C1* T A 11 -4.197 5.149 17.008 1.00 0.00 C
+ATOM 327 N1 T A 11 -3.319 6.323 16.782 1.00 0.00 N
+ATOM 328 C2 T A 11 -3.937 7.506 16.432 1.00 0.00 C
+ATOM 329 O2 T A 11 -5.153 7.585 16.258 1.00 0.00 O
+ATOM 330 N3 T A 11 -3.112 8.603 16.283 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.739 8.624 16.449 1.00 0.00 C
+ATOM 332 O4 T A 11 -1.107 9.674 16.320 1.00 0.00 O
+ATOM 333 C5 T A 11 -1.176 7.341 16.805 1.00 0.00 C
+ATOM 334 C5M T A 11 0.332 7.209 16.994 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.959 6.253 16.960 1.00 0.00 C
+ATOM 336 1H5* T A 11 -3.189 3.215 20.353 1.00 0.00 H
+ATOM 337 2H5* T A 11 -3.009 1.731 19.382 1.00 0.00 H
+ATOM 338 H4* T A 11 -5.119 2.986 18.951 1.00 0.00 H
+ATOM 339 H3* T A 11 -3.286 2.018 17.031 1.00 0.00 H
+ATOM 340 1H2* T A 11 -2.667 3.973 16.060 1.00 0.00 H
+ATOM 341 2H2* T A 11 -4.304 3.881 15.283 1.00 0.00 H
+ATOM 342 H1* T A 11 -5.216 5.401 16.713 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.551 9.464 16.017 1.00 0.00 H
+ATOM 344 1H5M T A 11 0.834 8.050 16.520 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.675 6.280 16.547 1.00 0.00 H
+ATOM 346 3H5M T A 11 0.568 7.204 18.048 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.500 5.306 17.237 1.00 0.00 H
+ATOM 348 P A A 12 -5.448 1.367 15.296 1.00 0.00 P
+ATOM 349 O1P A A 12 -6.485 0.313 15.429 1.00 0.00 O
+ATOM 350 O2P A A 12 -4.085 0.994 14.839 1.00 0.00 O
+ATOM 351 O5* A A 12 -6.013 2.534 14.351 1.00 0.00 O
+ATOM 352 C5* A A 12 -7.122 3.336 14.777 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.624 4.261 13.682 1.00 0.00 C
+ATOM 354 O4* A A 12 -6.915 5.526 13.713 1.00 0.00 O
+ATOM 355 C3* A A 12 -7.403 3.650 12.304 1.00 0.00 C
+ATOM 356 O3* A A 12 -8.570 3.790 11.487 1.00 0.00 O
+ATOM 357 C2* A A 12 -6.258 4.417 11.728 1.00 0.00 C
+ATOM 358 C1* A A 12 -6.256 5.743 12.446 1.00 0.00 C
+ATOM 359 N9 A A 12 -4.889 6.273 12.641 1.00 0.00 N
+ATOM 360 C8 A A 12 -3.738 5.641 12.996 1.00 0.00 C
+ATOM 361 N7 A A 12 -2.677 6.369 13.132 1.00 0.00 N
+ATOM 362 C5 A A 12 -3.168 7.643 12.833 1.00 0.00 C
+ATOM 363 C6 A A 12 -2.569 8.910 12.784 1.00 0.00 C
+ATOM 364 N6 A A 12 -1.280 9.128 13.056 1.00 0.00 N
+ATOM 365 N1 A A 12 -3.353 9.948 12.451 1.00 0.00 N
+ATOM 366 C2 A A 12 -4.641 9.765 12.180 1.00 0.00 C
+ATOM 367 N3 A A 12 -5.310 8.620 12.195 1.00 0.00 N
+ATOM 368 C4 A A 12 -4.510 7.590 12.531 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.814 3.965 15.602 1.00 0.00 H
+ATOM 370 2H5* A A 12 -7.930 2.666 15.105 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.689 4.446 13.826 1.00 0.00 H
+ATOM 372 H3* A A 12 -7.132 2.596 12.405 1.00 0.00 H
+ATOM 373 H1* A A 12 -6.834 6.460 11.864 1.00 0.00 H
+ATOM 374 H8 A A 12 -3.709 4.567 13.167 1.00 0.00 H
+ATOM 375 1H6 A A 12 -0.902 10.067 13.006 1.00 0.00 H
+ATOM 376 2H6 A A 12 -0.681 8.355 13.308 1.00 0.00 H
+ATOM 377 H2 A A 12 -5.207 10.655 11.917 1.00 0.00 H
+ATOM 378 1H2* A A 12 -5.321 3.884 11.917 1.00 0.00 H
+ATOM 379 2H2* A A 12 -6.425 4.575 10.657 1.00 0.00 H
+ATOM 380 P G A 13 -8.572 3.257 9.973 1.00 0.00 P
+ATOM 381 O1P G A 13 -9.898 2.661 9.670 1.00 0.00 O
+ATOM 382 O2P G A 13 -7.344 2.453 9.746 1.00 0.00 O
+ATOM 383 O5* G A 13 -8.434 4.653 9.186 1.00 0.00 O
+ATOM 384 C5* G A 13 -9.340 5.735 9.452 1.00 0.00 C
+ATOM 385 C4* G A 13 -9.032 6.974 8.620 1.00 0.00 C
+ATOM 386 O4* G A 13 -7.797 7.599 9.055 1.00 0.00 O
+ATOM 387 C3* G A 13 -8.866 6.616 7.151 1.00 0.00 C
+ATOM 388 O3* G A 13 -9.554 7.552 6.314 1.00 0.00 O
+ATOM 389 C2* G A 13 -7.393 6.683 6.911 1.00 0.00 C
+ATOM 390 C1* G A 13 -6.852 7.621 7.960 1.00 0.00 C
+ATOM 391 N9 G A 13 -5.508 7.215 8.412 1.00 0.00 N
+ATOM 392 C8 G A 13 -5.048 5.993 8.778 1.00 0.00 C
+ATOM 393 N7 G A 13 -3.830 5.912 9.197 1.00 0.00 N
+ATOM 394 C5 G A 13 -3.408 7.240 9.099 1.00 0.00 C
+ATOM 395 C6 G A 13 -2.151 7.824 9.413 1.00 0.00 C
+ATOM 396 O6 G A 13 -1.139 7.284 9.857 1.00 0.00 O
+ATOM 397 N1 G A 13 -2.152 9.185 9.167 1.00 0.00 N
+ATOM 398 C2 G A 13 -3.217 9.910 8.679 1.00 0.00 C
+ATOM 399 N2 G A 13 -3.005 11.212 8.491 1.00 0.00 N
+ATOM 400 N3 G A 13 -4.403 9.375 8.385 1.00 0.00 N
+ATOM 401 C4 G A 13 -4.432 8.043 8.616 1.00 0.00 C
+ATOM 402 1H5* G A 13 -9.254 6.026 10.490 1.00 0.00 H
+ATOM 403 2H5* G A 13 -10.364 5.391 9.249 1.00 0.00 H
+ATOM 404 H4* G A 13 -9.848 7.688 8.724 1.00 0.00 H
+ATOM 405 H3* G A 13 -9.229 5.603 6.969 1.00 0.00 H
+ATOM 406 H1* G A 13 -6.803 8.630 7.547 1.00 0.00 H
+ATOM 407 H8 G A 13 -5.680 5.111 8.711 1.00 0.00 H
+ATOM 408 H1 G A 13 -1.301 9.662 9.376 1.00 0.00 H
+ATOM 409 1H2 G A 13 -3.743 11.797 8.126 1.00 0.00 H
+ATOM 410 2H2 G A 13 -2.102 11.613 8.703 1.00 0.00 H
+ATOM 411 1H2* G A 13 -6.950 5.687 7.034 1.00 0.00 H
+ATOM 412 2H2* G A 13 -7.204 7.088 5.914 1.00 0.00 H
+ATOM 413 P G A 14 -9.500 7.411 4.715 1.00 0.00 P
+ATOM 414 O1P G A 14 -10.863 7.629 4.166 1.00 0.00 O
+ATOM 415 O2P G A 14 -8.767 6.168 4.365 1.00 0.00 O
+ATOM 416 O5* G A 14 -8.578 8.678 4.349 1.00 0.00 O
+ATOM 417 C5* G A 14 -8.831 9.961 4.942 1.00 0.00 C
+ATOM 418 C4* G A 14 -7.862 11.036 4.462 1.00 0.00 C
+ATOM 419 O4* G A 14 -6.599 10.949 5.171 1.00 0.00 O
+ATOM 420 C3* G A 14 -7.564 10.887 2.974 1.00 0.00 C
+ATOM 421 O3* G A 14 -7.647 12.149 2.299 1.00 0.00 O
+ATOM 422 C2* G A 14 -6.171 10.347 2.923 1.00 0.00 C
+ATOM 423 C1* G A 14 -5.524 10.748 4.226 1.00 0.00 C
+ATOM 424 N9 G A 14 -4.591 9.704 4.693 1.00 0.00 N
+ATOM 425 C8 G A 14 -4.787 8.372 4.832 1.00 0.00 C
+ATOM 426 N7 G A 14 -3.797 7.661 5.250 1.00 0.00 N
+ATOM 427 C5 G A 14 -2.805 8.629 5.413 1.00 0.00 C
+ATOM 428 C6 G A 14 -1.465 8.489 5.849 1.00 0.00 C
+ATOM 429 O6 G A 14 -0.877 7.465 6.196 1.00 0.00 O
+ATOM 430 N1 G A 14 -0.810 9.710 5.866 1.00 0.00 N
+ATOM 431 C2 G A 14 -1.366 10.920 5.512 1.00 0.00 C
+ATOM 432 N2 G A 14 -0.569 11.982 5.608 1.00 0.00 N
+ATOM 433 N3 G A 14 -2.626 11.063 5.100 1.00 0.00 N
+ATOM 434 C4 G A 14 -3.286 9.884 5.073 1.00 0.00 C
+ATOM 435 1H5* G A 14 -8.710 9.890 6.015 1.00 0.00 H
+ATOM 436 2H5* G A 14 -9.864 10.256 4.707 1.00 0.00 H
+ATOM 437 H4* G A 14 -8.301 12.017 4.642 1.00 0.00 H
+ATOM 438 H3* G A 14 -8.257 10.171 2.527 1.00 0.00 H
+ATOM 439 H1* G A 14 -4.981 11.684 4.089 1.00 0.00 H
+ATOM 440 H8 G A 14 -5.744 7.917 4.587 1.00 0.00 H
+ATOM 441 H1 G A 14 0.143 9.685 6.155 1.00 0.00 H
+ATOM 442 1H2 G A 14 -0.919 12.898 5.368 1.00 0.00 H
+ATOM 443 2H2 G A 14 0.385 11.871 5.921 1.00 0.00 H
+ATOM 444 1H2* G A 14 -6.200 9.253 2.843 1.00 0.00 H
+ATOM 445 2H2* G A 14 -5.627 10.801 2.085 1.00 0.00 H
+ATOM 446 P A A 15 -7.364 12.251 0.720 1.00 0.00 P
+ATOM 447 O1P A A 15 -8.200 13.336 0.147 1.00 0.00 O
+ATOM 448 O2P A A 15 -7.439 10.891 0.128 1.00 0.00 O
+ATOM 449 O5* A A 15 -5.829 12.730 0.733 1.00 0.00 O
+ATOM 450 C5* A A 15 -5.414 13.818 1.572 1.00 0.00 C
+ATOM 451 C4* A A 15 -3.973 14.237 1.317 1.00 0.00 C
+ATOM 452 O4* A A 15 -3.052 13.403 2.068 1.00 0.00 O
+ATOM 453 C3* A A 15 -3.611 14.101 -0.159 1.00 0.00 C
+ATOM 454 O3* A A 15 -2.949 15.272 -0.645 1.00 0.00 O
+ATOM 455 C2* A A 15 -2.702 12.920 -0.220 1.00 0.00 C
+ATOM 456 C1* A A 15 -2.115 12.781 1.161 1.00 0.00 C
+ATOM 457 N9 A A 15 -1.886 11.364 1.497 1.00 0.00 N
+ATOM 458 C8 A A 15 -2.692 10.287 1.320 1.00 0.00 C
+ATOM 459 N7 A A 15 -2.229 9.133 1.660 1.00 0.00 N
+ATOM 460 C5 A A 15 -0.957 9.473 2.129 1.00 0.00 C
+ATOM 461 C6 A A 15 0.093 8.715 2.652 1.00 0.00 C
+ATOM 462 N6 A A 15 0.049 7.390 2.780 1.00 0.00 N
+ATOM 463 N1 A A 15 1.201 9.374 3.020 1.00 0.00 N
+ATOM 464 C2 A A 15 1.283 10.695 2.882 1.00 0.00 C
+ATOM 465 N3 A A 15 0.359 11.509 2.393 1.00 0.00 N
+ATOM 466 C4 A A 15 -0.746 10.829 2.034 1.00 0.00 C
+ATOM 467 1H5* A A 15 -5.474 13.514 2.608 1.00 0.00 H
+ATOM 468 2H5* A A 15 -6.088 14.670 1.398 1.00 0.00 H
+ATOM 469 H4* A A 15 -3.843 15.274 1.625 1.00 0.00 H
+ATOM 470 H3* A A 15 -4.513 13.903 -0.744 1.00 0.00 H
+ATOM 471 H1* A A 15 -1.166 13.318 1.203 1.00 0.00 H
+ATOM 472 H8 A A 15 -3.697 10.394 0.914 1.00 0.00 H
+ATOM 473 1H6 A A 15 -0.775 6.882 2.490 1.00 0.00 H
+ATOM 474 2H6 A A 15 0.842 6.893 3.161 1.00 0.00 H
+ATOM 475 H2 A A 15 2.206 11.160 3.221 1.00 0.00 H
+ATOM 476 1H2* A A 15 -3.275 12.021 -0.476 1.00 0.00 H
+ATOM 477 2H2* A A 15 -1.904 13.109 -0.946 1.00 0.00 H
+ATOM 478 P T A 16 -2.441 15.344 -2.169 1.00 0.00 P
+ATOM 479 O1P T A 16 -2.644 16.723 -2.681 1.00 0.00 O
+ATOM 480 O2P T A 16 -3.014 14.199 -2.923 1.00 0.00 O
+ATOM 481 O5* T A 16 -0.867 15.091 -1.955 1.00 0.00 O
+ATOM 482 C5* T A 16 -0.059 16.071 -1.288 1.00 0.00 C
+ATOM 483 C4* T A 16 1.395 15.642 -1.131 1.00 0.00 C
+ATOM 484 O4* T A 16 1.502 14.371 -0.435 1.00 0.00 O
+ATOM 485 C3* T A 16 2.077 15.483 -2.485 1.00 0.00 C
+ATOM 486 O3* T A 16 3.311 16.207 -2.530 1.00 0.00 O
+ATOM 487 C2* T A 16 2.310 14.010 -2.628 1.00 0.00 C
+ATOM 488 C1* T A 16 2.290 13.452 -1.225 1.00 0.00 C
+ATOM 489 N1 T A 16 1.717 12.090 -1.200 1.00 0.00 N
+ATOM 490 C2 T A 16 2.509 11.076 -0.689 1.00 0.00 C
+ATOM 491 O2 T A 16 3.639 11.284 -0.252 1.00 0.00 O
+ATOM 492 N3 T A 16 1.954 9.810 -0.703 1.00 0.00 N
+ATOM 493 C4 T A 16 0.699 9.474 -1.175 1.00 0.00 C
+ATOM 494 O4 T A 16 0.314 8.307 -1.149 1.00 0.00 O
+ATOM 495 C5 T A 16 -0.056 10.598 -1.686 1.00 0.00 C
+ATOM 496 C5M T A 16 -1.464 10.376 -2.228 1.00 0.00 C
+ATOM 497 C6 T A 16 0.463 11.843 -1.683 1.00 0.00 C
+ATOM 498 1H5* T A 16 -0.446 16.233 -0.291 1.00 0.00 H
+ATOM 499 2H5* T A 16 -0.111 17.009 -1.859 1.00 0.00 H
+ATOM 500 H4* T A 16 1.926 16.400 -0.558 1.00 0.00 H
+ATOM 501 H3* T A 16 1.408 15.827 -3.277 1.00 0.00 H
+ATOM 502 1H2* T A 16 1.505 13.562 -3.221 1.00 0.00 H
+ATOM 503 2H2* T A 16 3.294 13.833 -3.081 1.00 0.00 H
+ATOM 504 H1* T A 16 3.308 13.424 -0.834 1.00 0.00 H
+ATOM 505 H3 T A 16 2.510 9.065 -0.327 1.00 0.00 H
+ATOM 506 1H5M T A 16 -2.004 9.699 -1.574 1.00 0.00 H
+ATOM 507 2H5M T A 16 -1.406 9.940 -3.215 1.00 0.00 H
+ATOM 508 3H5M T A 16 -1.989 11.330 -2.284 1.00 0.00 H
+ATOM 509 H6 T A 16 -0.128 12.667 -2.080 1.00 0.00 H
+ATOM 510 H3T T A 16 3.919 15.774 -1.925 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
+MODEL 7
+ATOM 1 O5* A A 1 8.098 0.855 3.650 1.00 0.00 O
+ATOM 2 C5* A A 1 9.232 1.189 2.835 1.00 0.00 C
+ATOM 3 C4* A A 1 9.647 2.644 2.990 1.00 0.00 C
+ATOM 4 O4* A A 1 8.935 3.480 2.044 1.00 0.00 O
+ATOM 5 C3* A A 1 9.325 3.152 4.389 1.00 0.00 C
+ATOM 6 O3* A A 1 10.412 3.905 4.939 1.00 0.00 O
+ATOM 7 C2* A A 1 8.117 4.012 4.202 1.00 0.00 C
+ATOM 8 C1* A A 1 8.137 4.450 2.757 1.00 0.00 C
+ATOM 9 N9 A A 1 6.770 4.514 2.208 1.00 0.00 N
+ATOM 10 C8 A A 1 5.866 3.523 2.011 1.00 0.00 C
+ATOM 11 N7 A A 1 4.732 3.846 1.484 1.00 0.00 N
+ATOM 12 C5 A A 1 4.889 5.223 1.301 1.00 0.00 C
+ATOM 13 C6 A A 1 4.051 6.213 0.775 1.00 0.00 C
+ATOM 14 N6 A A 1 2.826 5.959 0.307 1.00 0.00 N
+ATOM 15 N1 A A 1 4.524 7.471 0.747 1.00 0.00 N
+ATOM 16 C2 A A 1 5.747 7.745 1.206 1.00 0.00 C
+ATOM 17 N3 A A 1 6.621 6.889 1.723 1.00 0.00 N
+ATOM 18 C4 A A 1 6.127 5.637 1.742 1.00 0.00 C
+ATOM 19 1H5* A A 1 8.981 1.044 1.793 1.00 0.00 H
+ATOM 20 2H5* A A 1 10.065 0.528 3.111 1.00 0.00 H
+ATOM 21 H4* A A 1 10.718 2.734 2.812 1.00 0.00 H
+ATOM 22 H3* A A 1 9.080 2.311 5.041 1.00 0.00 H
+ATOM 23 H1* A A 1 8.603 5.430 2.679 1.00 0.00 H
+ATOM 24 H8 A A 1 6.086 2.494 2.291 1.00 0.00 H
+ATOM 25 1H6 A A 1 2.259 6.709 -0.063 1.00 0.00 H
+ATOM 26 2H6 A A 1 2.468 5.015 0.321 1.00 0.00 H
+ATOM 27 H2 A A 1 6.063 8.787 1.153 1.00 0.00 H
+ATOM 28 1H2* A A 1 7.211 3.427 4.402 1.00 0.00 H
+ATOM 29 2H2* A A 1 8.187 4.888 4.855 1.00 0.00 H
+ATOM 30 H5T A A 1 7.320 0.908 3.091 1.00 0.00 H
+ATOM 31 P T A 2 10.341 4.457 6.448 1.00 0.00 P
+ATOM 32 O1P T A 2 11.722 4.660 6.953 1.00 0.00 O
+ATOM 33 O2P T A 2 9.402 3.610 7.226 1.00 0.00 O
+ATOM 34 O5* T A 2 9.663 5.893 6.196 1.00 0.00 O
+ATOM 35 C5* T A 2 10.146 6.747 5.152 1.00 0.00 C
+ATOM 36 C4* T A 2 9.543 8.145 5.202 1.00 0.00 C
+ATOM 37 O4* T A 2 8.315 8.214 4.431 1.00 0.00 O
+ATOM 38 C3* T A 2 9.211 8.559 6.631 1.00 0.00 C
+ATOM 39 O3* T A 2 9.718 9.873 6.911 1.00 0.00 O
+ATOM 40 C2* T A 2 7.717 8.550 6.692 1.00 0.00 C
+ATOM 41 C1* T A 2 7.250 8.718 5.267 1.00 0.00 C
+ATOM 42 N1 T A 2 5.970 8.014 5.002 1.00 0.00 N
+ATOM 43 C2 T A 2 4.950 8.761 4.449 1.00 0.00 C
+ATOM 44 O2 T A 2 5.064 9.966 4.231 1.00 0.00 O
+ATOM 45 N3 T A 2 3.785 8.083 4.167 1.00 0.00 N
+ATOM 46 C4 T A 2 3.544 6.739 4.385 1.00 0.00 C
+ATOM 47 O4 T A 2 2.460 6.237 4.088 1.00 0.00 O
+ATOM 48 C5 T A 2 4.661 6.035 4.972 1.00 0.00 C
+ATOM 49 C5M T A 2 4.535 4.545 5.269 1.00 0.00 C
+ATOM 50 C6 T A 2 5.815 6.675 5.258 1.00 0.00 C
+ATOM 51 1H5* T A 2 9.878 6.326 4.195 1.00 0.00 H
+ATOM 52 2H5* T A 2 11.241 6.808 5.233 1.00 0.00 H
+ATOM 53 H4* T A 2 10.259 8.853 4.787 1.00 0.00 H
+ATOM 54 H3* T A 2 9.618 7.832 7.337 1.00 0.00 H
+ATOM 55 1H2* T A 2 7.365 7.596 7.097 1.00 0.00 H
+ATOM 56 2H2* T A 2 7.378 9.394 7.295 1.00 0.00 H
+ATOM 57 H1* T A 2 7.120 9.782 5.066 1.00 0.00 H
+ATOM 58 H3 T A 2 3.044 8.617 3.759 1.00 0.00 H
+ATOM 59 1H5M T A 2 5.502 4.150 5.578 1.00 0.00 H
+ATOM 60 2H5M T A 2 4.195 4.024 4.380 1.00 0.00 H
+ATOM 61 3H5M T A 2 3.815 4.394 6.061 1.00 0.00 H
+ATOM 62 H6 T A 2 6.633 6.118 5.707 1.00 0.00 H
+ATOM 63 P C A 3 9.482 10.564 8.344 1.00 0.00 P
+ATOM 64 O1P C A 3 10.682 11.366 8.693 1.00 0.00 O
+ATOM 65 O2P C A 3 8.994 9.538 9.301 1.00 0.00 O
+ATOM 66 O5* C A 3 8.272 11.562 7.985 1.00 0.00 O
+ATOM 67 C5* C A 3 8.312 12.362 6.791 1.00 0.00 C
+ATOM 68 C4* C A 3 7.148 13.345 6.691 1.00 0.00 C
+ATOM 69 O4* C A 3 5.978 12.709 6.113 1.00 0.00 O
+ATOM 70 C3* C A 3 6.750 13.877 8.063 1.00 0.00 C
+ATOM 71 O3* C A 3 6.613 15.304 8.051 1.00 0.00 O
+ATOM 72 C2* C A 3 5.439 13.220 8.359 1.00 0.00 C
+ATOM 73 C1* C A 3 4.857 12.832 7.020 1.00 0.00 C
+ATOM 74 N1 C A 3 4.097 11.563 7.099 1.00 0.00 N
+ATOM 75 C2 C A 3 2.789 11.566 6.643 1.00 0.00 C
+ATOM 76 O2 C A 3 2.278 12.606 6.231 1.00 0.00 O
+ATOM 77 N3 C A 3 2.097 10.397 6.669 1.00 0.00 N
+ATOM 78 C4 C A 3 2.660 9.268 7.123 1.00 0.00 C
+ATOM 79 N4 C A 3 1.958 8.133 7.129 1.00 0.00 N
+ATOM 80 C5 C A 3 4.005 9.263 7.598 1.00 0.00 C
+ATOM 81 C6 C A 3 4.681 10.425 7.569 1.00 0.00 C
+ATOM 82 1H5* C A 3 8.248 11.714 5.928 1.00 0.00 H
+ATOM 83 2H5* C A 3 9.266 12.908 6.773 1.00 0.00 H
+ATOM 84 H4* C A 3 7.444 14.180 6.057 1.00 0.00 H
+ATOM 85 H3* C A 3 7.492 13.574 8.805 1.00 0.00 H
+ATOM 86 H1* C A 3 4.200 13.627 6.671 1.00 0.00 H
+ATOM 87 1H4 C A 3 1.004 8.124 6.795 1.00 0.00 H
+ATOM 88 2H4 C A 3 2.381 7.281 7.467 1.00 0.00 H
+ATOM 89 H5 C A 3 4.474 8.346 7.958 1.00 0.00 H
+ATOM 90 H6 C A 3 5.698 10.460 7.941 1.00 0.00 H
+ATOM 91 1H2* C A 3 5.597 12.330 8.977 1.00 0.00 H
+ATOM 92 2H2* C A 3 4.778 13.939 8.850 1.00 0.00 H
+ATOM 93 P C A 4 6.191 16.097 9.385 1.00 0.00 P
+ATOM 94 O1P C A 4 6.713 17.484 9.304 1.00 0.00 O
+ATOM 95 O2P C A 4 6.529 15.265 10.568 1.00 0.00 O
+ATOM 96 O5* C A 4 4.593 16.128 9.210 1.00 0.00 O
+ATOM 97 C5* C A 4 4.006 16.549 7.972 1.00 0.00 C
+ATOM 98 C4* C A 4 2.496 16.726 8.066 1.00 0.00 C
+ATOM 99 O4* C A 4 1.806 15.473 7.818 1.00 0.00 O
+ATOM 100 C3* C A 4 2.079 17.216 9.448 1.00 0.00 C
+ATOM 101 O3* C A 4 1.224 18.361 9.361 1.00 0.00 O
+ATOM 102 C2* C A 4 1.357 16.058 10.065 1.00 0.00 C
+ATOM 103 C1* C A 4 0.906 15.191 8.914 1.00 0.00 C
+ATOM 104 N1 C A 4 0.921 13.753 9.271 1.00 0.00 N
+ATOM 105 C2 C A 4 -0.241 13.030 9.054 1.00 0.00 C
+ATOM 106 O2 C A 4 -1.237 13.581 8.590 1.00 0.00 O
+ATOM 107 N3 C A 4 -0.244 11.708 9.366 1.00 0.00 N
+ATOM 108 C4 C A 4 0.844 11.112 9.870 1.00 0.00 C
+ATOM 109 N4 C A 4 0.807 9.808 10.160 1.00 0.00 N
+ATOM 110 C5 C A 4 2.044 11.849 10.097 1.00 0.00 C
+ATOM 111 C6 C A 4 2.040 13.159 9.785 1.00 0.00 C
+ATOM 112 1H5* C A 4 4.188 15.797 7.216 1.00 0.00 H
+ATOM 113 2H5* C A 4 4.477 17.496 7.671 1.00 0.00 H
+ATOM 114 H4* C A 4 2.180 17.455 7.322 1.00 0.00 H
+ATOM 115 H3* C A 4 2.967 17.453 10.040 1.00 0.00 H
+ATOM 116 H1* C A 4 -0.105 15.482 8.629 1.00 0.00 H
+ATOM 117 1H4 C A 4 -0.037 9.276 10.006 1.00 0.00 H
+ATOM 118 2H4 C A 4 1.626 9.355 10.535 1.00 0.00 H
+ATOM 119 H5 C A 4 2.931 11.370 10.508 1.00 0.00 H
+ATOM 120 H6 C A 4 2.941 13.745 9.940 1.00 0.00 H
+ATOM 121 1H2* C A 4 2.037 15.501 10.718 1.00 0.00 H
+ATOM 122 2H2* C A 4 0.484 16.425 10.609 1.00 0.00 H
+ATOM 123 P T A 5 0.770 19.141 10.690 1.00 0.00 P
+ATOM 124 O1P T A 5 0.608 20.582 10.371 1.00 0.00 O
+ATOM 125 O2P T A 5 1.661 18.743 11.810 1.00 0.00 O
+ATOM 126 O5* T A 5 -0.681 18.492 10.924 1.00 0.00 O
+ATOM 127 C5* T A 5 -1.804 18.933 10.148 1.00 0.00 C
+ATOM 128 C4* T A 5 -3.068 18.128 10.425 1.00 0.00 C
+ATOM 129 O4* T A 5 -2.805 16.700 10.370 1.00 0.00 O
+ATOM 130 C3* T A 5 -3.627 18.438 11.810 1.00 0.00 C
+ATOM 131 O3* T A 5 -5.017 18.773 11.748 1.00 0.00 O
+ATOM 132 C2* T A 5 -3.406 17.188 12.605 1.00 0.00 C
+ATOM 133 C1* T A 5 -3.256 16.077 11.595 1.00 0.00 C
+ATOM 134 N1 T A 5 -2.301 15.042 12.060 1.00 0.00 N
+ATOM 135 C2 T A 5 -2.750 13.733 12.096 1.00 0.00 C
+ATOM 136 O2 T A 5 -3.894 13.426 11.774 1.00 0.00 O
+ATOM 137 N3 T A 5 -1.836 12.787 12.526 1.00 0.00 N
+ATOM 138 C4 T A 5 -0.535 13.030 12.917 1.00 0.00 C
+ATOM 139 O4 T A 5 0.189 12.103 13.275 1.00 0.00 O
+ATOM 140 C5 T A 5 -0.154 14.426 12.851 1.00 0.00 C
+ATOM 141 C5M T A 5 1.251 14.846 13.269 1.00 0.00 C
+ATOM 142 C6 T A 5 -1.023 15.368 12.432 1.00 0.00 C
+ATOM 143 1H5* T A 5 -1.581 18.815 9.096 1.00 0.00 H
+ATOM 144 2H5* T A 5 -1.982 19.996 10.370 1.00 0.00 H
+ATOM 145 H4* T A 5 -3.817 18.377 9.675 1.00 0.00 H
+ATOM 146 H3* T A 5 -3.064 19.259 12.257 1.00 0.00 H
+ATOM 147 1H2* T A 5 -2.491 17.285 13.199 1.00 0.00 H
+ATOM 148 2H2* T A 5 -4.281 16.995 13.239 1.00 0.00 H
+ATOM 149 H1* T A 5 -4.229 15.616 11.424 1.00 0.00 H
+ATOM 150 H3 T A 5 -2.143 11.831 12.554 1.00 0.00 H
+ATOM 151 1H5M T A 5 1.983 14.227 12.766 1.00 0.00 H
+ATOM 152 2H5M T A 5 1.362 14.723 14.336 1.00 0.00 H
+ATOM 153 3H5M T A 5 1.411 15.891 13.006 1.00 0.00 H
+ATOM 154 H6 T A 5 -0.698 16.406 12.387 1.00 0.00 H
+ATOM 155 P A A 6 -5.635 19.865 12.749 1.00 0.00 P
+ATOM 156 O1P A A 6 -6.602 20.712 12.005 1.00 0.00 O
+ATOM 157 O2P A A 6 -4.529 20.514 13.498 1.00 0.00 O
+ATOM 158 O5* A A 6 -6.447 18.906 13.749 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.576 18.157 13.281 1.00 0.00 C
+ATOM 160 C4* A A 6 -8.001 17.079 14.264 1.00 0.00 C
+ATOM 161 O4* A A 6 -7.097 15.945 14.207 1.00 0.00 O
+ATOM 162 C3* A A 6 -7.985 17.612 15.696 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.197 17.280 16.388 1.00 0.00 O
+ATOM 164 C2* A A 6 -6.807 16.941 16.328 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.589 15.679 15.529 1.00 0.00 C
+ATOM 166 N9 A A 6 -5.170 15.261 15.517 1.00 0.00 N
+ATOM 167 C8 A A 6 -4.028 16.000 15.561 1.00 0.00 C
+ATOM 168 N7 A A 6 -2.912 15.361 15.686 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.351 14.034 15.727 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.678 12.812 15.855 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.360 12.719 16.023 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.423 11.693 15.849 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.750 11.769 15.731 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.485 12.865 15.612 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.719 13.970 15.618 1.00 0.00 C
+ATOM 176 1H5* A A 6 -7.318 17.655 12.359 1.00 0.00 H
+ATOM 177 2H5* A A 6 -8.408 18.854 13.102 1.00 0.00 H
+ATOM 178 H4* A A 6 -9.008 16.745 14.018 1.00 0.00 H
+ATOM 179 H3* A A 6 -7.834 18.694 15.689 1.00 0.00 H
+ATOM 180 H1* A A 6 -7.184 14.881 15.974 1.00 0.00 H
+ATOM 181 H8 A A 6 -4.048 17.086 15.479 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.795 13.555 16.061 1.00 0.00 H
+ATOM 183 2H6 A A 6 -0.928 11.812 16.118 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.291 10.826 15.720 1.00 0.00 H
+ATOM 185 1H2* A A 6 -5.934 17.593 16.251 1.00 0.00 H
+ATOM 186 2H2* A A 6 -7.030 16.690 17.368 1.00 0.00 H
+ATOM 187 P G A 7 -9.638 18.092 17.702 1.00 0.00 P
+ATOM 188 O1P G A 7 -10.924 18.784 17.432 1.00 0.00 O
+ATOM 189 O2P G A 7 -8.478 18.890 18.181 1.00 0.00 O
+ATOM 190 O5* G A 7 -9.901 16.886 18.740 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.084 15.527 18.305 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.430 14.526 19.257 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.003 14.440 19.004 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.610 14.909 20.731 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.082 13.797 21.498 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.248 15.328 21.185 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.273 14.692 20.227 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.113 15.573 19.993 1.00 0.00 N
+ATOM 199 C8 G A 7 -6.075 16.898 19.706 1.00 0.00 C
+ATOM 200 N7 G A 7 -4.914 17.446 19.564 1.00 0.00 N
+ATOM 201 C5 G A 7 -4.058 16.363 19.782 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.638 16.307 19.767 1.00 0.00 C
+ATOM 203 O6 G A 7 -1.840 17.220 19.558 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.174 15.025 20.035 1.00 0.00 N
+ATOM 205 C2 G A 7 -2.972 13.926 20.286 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.338 12.778 20.520 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.309 13.970 20.301 1.00 0.00 N
+ATOM 208 C4 G A 7 -4.784 15.211 20.043 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.617 15.383 17.345 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.164 15.323 18.211 1.00 0.00 H
+ATOM 211 H4* G A 7 -9.870 13.543 19.092 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.296 15.754 20.830 1.00 0.00 H
+ATOM 213 H1* G A 7 -6.927 13.747 20.640 1.00 0.00 H
+ATOM 214 H8 G A 7 -6.991 17.482 19.610 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.170 14.910 20.042 1.00 0.00 H
+ATOM 216 1H2 G A 7 -2.867 11.937 20.710 1.00 0.00 H
+ATOM 217 2H2 G A 7 -1.328 12.748 20.511 1.00 0.00 H
+ATOM 218 1H2* G A 7 -8.160 16.421 21.142 1.00 0.00 H
+ATOM 219 2H2* G A 7 -8.067 14.948 22.197 1.00 0.00 H
+ATOM 220 P T A 8 -10.464 13.977 23.046 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.721 13.236 23.320 1.00 0.00 O
+ATOM 222 O2P T A 8 -10.381 15.418 23.397 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.238 13.199 23.735 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.233 11.765 23.792 1.00 0.00 C
+ATOM 225 C4* T A 8 -7.825 11.186 23.909 1.00 0.00 C
+ATOM 226 O4* T A 8 -6.857 12.054 23.265 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.396 11.026 25.367 1.00 0.00 C
+ATOM 228 O3* T A 8 -6.824 9.729 25.596 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.373 12.095 25.574 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.817 12.403 24.204 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.432 13.825 24.090 1.00 0.00 N
+ATOM 232 C2 T A 8 -4.130 14.100 23.716 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.319 13.211 23.465 1.00 0.00 O
+ATOM 234 N3 T A 8 -3.788 15.438 23.643 1.00 0.00 N
+ATOM 235 C4 T A 8 -4.624 16.508 23.909 1.00 0.00 C
+ATOM 236 O4 T A 8 -4.214 17.662 23.814 1.00 0.00 O
+ATOM 237 C5 T A 8 -5.964 16.126 24.292 1.00 0.00 C
+ATOM 238 C5M T A 8 -6.985 17.208 24.634 1.00 0.00 C
+ATOM 239 C6 T A 8 -6.324 14.830 24.368 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.654 11.372 22.877 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.849 11.447 24.644 1.00 0.00 H
+ATOM 242 H4* T A 8 -7.801 10.212 23.423 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.244 11.192 26.034 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.855 12.987 25.990 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.584 11.729 26.226 1.00 0.00 H
+ATOM 246 H1* T A 8 -4.938 11.770 24.015 1.00 0.00 H
+ATOM 247 H3 T A 8 -2.840 15.654 23.368 1.00 0.00 H
+ATOM 248 1H5M T A 8 -7.278 17.112 25.680 1.00 0.00 H
+ATOM 249 2H5M T A 8 -7.862 17.096 23.999 1.00 0.00 H
+ATOM 250 3H5M T A 8 -6.541 18.190 24.471 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.347 14.577 24.643 1.00 0.00 H
+ATOM 252 P T A 9 -6.484 9.219 27.084 1.00 0.00 P
+ATOM 253 O1P T A 9 -6.309 7.744 27.060 1.00 0.00 O
+ATOM 254 O2P T A 9 -7.460 9.814 28.033 1.00 0.00 O
+ATOM 255 O5* T A 9 -5.049 9.912 27.313 1.00 0.00 O
+ATOM 256 C5* T A 9 -3.853 9.351 26.751 1.00 0.00 C
+ATOM 257 C4* T A 9 -3.185 10.291 25.752 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.407 11.680 26.110 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.680 10.071 25.709 1.00 0.00 C
+ATOM 260 O3* T A 9 -1.215 9.995 24.361 1.00 0.00 O
+ATOM 261 C2* T A 9 -1.099 11.264 26.400 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.137 12.349 26.285 1.00 0.00 C
+ATOM 263 N1 T A 9 -2.146 13.219 27.482 1.00 0.00 N
+ATOM 264 C2 T A 9 -1.879 14.564 27.292 1.00 0.00 C
+ATOM 265 O2 T A 9 -1.637 15.032 26.181 1.00 0.00 O
+ATOM 266 N3 T A 9 -1.901 15.355 28.425 1.00 0.00 N
+ATOM 267 C4 T A 9 -2.166 14.927 29.713 1.00 0.00 C
+ATOM 268 O4 T A 9 -2.156 15.720 30.652 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.434 13.511 29.818 1.00 0.00 C
+ATOM 270 C5M T A 9 -2.755 12.914 31.184 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.417 12.714 28.728 1.00 0.00 C
+ATOM 272 1H5* T A 9 -4.097 8.443 26.213 1.00 0.00 H
+ATOM 273 2H5* T A 9 -3.160 9.118 27.573 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.598 10.109 24.759 1.00 0.00 H
+ATOM 275 H3* T A 9 -1.418 9.162 26.253 1.00 0.00 H
+ATOM 276 1H2* T A 9 -0.917 11.030 27.457 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.179 11.574 25.889 1.00 0.00 H
+ATOM 278 H1* T A 9 -1.926 12.953 25.402 1.00 0.00 H
+ATOM 279 H3 T A 9 -1.705 16.339 28.301 1.00 0.00 H
+ATOM 280 1H5M T A 9 -3.116 11.894 31.061 1.00 0.00 H
+ATOM 281 2H5M T A 9 -3.524 13.515 31.671 1.00 0.00 H
+ATOM 282 3H5M T A 9 -1.856 12.910 31.799 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.610 11.648 28.843 1.00 0.00 H
+ATOM 284 P A A 10 -0.291 8.776 23.897 1.00 0.00 P
+ATOM 285 O1P A A 10 0.584 8.380 25.028 1.00 0.00 O
+ATOM 286 O2P A A 10 0.324 9.108 22.587 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.409 7.645 23.684 1.00 0.00 O
+ATOM 288 C5* A A 10 -1.052 6.268 23.817 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.768 5.373 22.814 1.00 0.00 C
+ATOM 290 O4* A A 10 -3.006 5.985 22.382 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.895 5.179 21.585 1.00 0.00 C
+ATOM 292 O3* A A 10 -1.108 3.885 21.011 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.364 6.265 20.673 1.00 0.00 C
+ATOM 294 C1* A A 10 -2.813 6.497 21.057 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.251 7.904 20.997 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.533 9.040 21.122 1.00 0.00 C
+ATOM 297 N7 A A 10 -3.177 10.156 21.202 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.498 9.721 21.138 1.00 0.00 C
+ATOM 299 C6 A A 10 -5.718 10.397 21.169 1.00 0.00 C
+ATOM 300 N6 A A 10 -5.811 11.722 21.244 1.00 0.00 N
+ATOM 301 N1 A A 10 -6.839 9.659 21.086 1.00 0.00 N
+ATOM 302 C2 A A 10 -6.765 8.333 20.977 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.664 7.591 20.936 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.555 8.354 21.022 1.00 0.00 C
+ATOM 305 1H5* A A 10 -1.354 5.938 24.785 1.00 0.00 H
+ATOM 306 2H5* A A 10 0.037 6.174 23.722 1.00 0.00 H
+ATOM 307 H4* A A 10 -1.978 4.406 23.269 1.00 0.00 H
+ATOM 308 H3* A A 10 0.159 5.323 21.826 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.430 5.927 20.377 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.474 9.000 21.283 1.00 0.00 H
+ATOM 311 1H6 A A 10 -6.717 12.161 21.265 1.00 0.00 H
+ATOM 312 2H6 A A 10 -4.973 12.285 21.282 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.713 7.798 20.917 1.00 0.00 H
+ATOM 314 1H2* A A 10 -0.768 7.163 20.840 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.306 5.924 19.632 1.00 0.00 H
+ATOM 316 P T A 11 -0.321 3.430 19.689 1.00 0.00 P
+ATOM 317 O1P T A 11 0.277 2.091 19.921 1.00 0.00 O
+ATOM 318 O2P T A 11 0.546 4.547 19.231 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.554 3.281 18.674 1.00 0.00 O
+ATOM 320 C5* T A 11 -2.841 2.861 19.152 1.00 0.00 C
+ATOM 321 C4* T A 11 -3.965 3.238 18.201 1.00 0.00 C
+ATOM 322 O4* T A 11 -4.108 4.679 18.108 1.00 0.00 O
+ATOM 323 C3* T A 11 -3.697 2.708 16.799 1.00 0.00 C
+ATOM 324 O3* T A 11 -4.824 1.989 16.295 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.416 3.928 15.974 1.00 0.00 C
+ATOM 326 C1* T A 11 -4.030 5.088 16.725 1.00 0.00 C
+ATOM 327 N1 T A 11 -3.236 6.334 16.580 1.00 0.00 N
+ATOM 328 C2 T A 11 -3.920 7.472 16.197 1.00 0.00 C
+ATOM 329 O2 T A 11 -5.128 7.463 15.972 1.00 0.00 O
+ATOM 330 N3 T A 11 -3.169 8.626 16.085 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.812 8.742 16.320 1.00 0.00 C
+ATOM 332 O4 T A 11 -1.247 9.828 16.211 1.00 0.00 O
+ATOM 333 C5 T A 11 -1.177 7.505 16.710 1.00 0.00 C
+ATOM 334 C5M T A 11 0.324 7.486 16.974 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.885 6.364 16.830 1.00 0.00 C
+ATOM 336 1H5* T A 11 -3.054 3.348 20.092 1.00 0.00 H
+ATOM 337 2H5* T A 11 -2.822 1.771 19.296 1.00 0.00 H
+ATOM 338 H4* T A 11 -4.899 2.815 18.569 1.00 0.00 H
+ATOM 339 H3* T A 11 -2.814 2.062 16.811 1.00 0.00 H
+ATOM 340 1H2* T A 11 -2.337 4.067 15.873 1.00 0.00 H
+ATOM 341 2H2* T A 11 -3.903 3.827 14.995 1.00 0.00 H
+ATOM 342 H1* T A 11 -5.039 5.259 16.349 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.655 9.456 15.790 1.00 0.00 H
+ATOM 344 1H5M T A 11 0.745 6.550 16.616 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.506 7.574 18.034 1.00 0.00 H
+ATOM 346 3H5M T A 11 0.794 8.321 16.459 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.373 5.456 17.147 1.00 0.00 H
+ATOM 348 P A A 12 -4.757 1.289 14.854 1.00 0.00 P
+ATOM 349 O1P A A 12 -5.615 0.078 14.864 1.00 0.00 O
+ATOM 350 O2P A A 12 -3.336 1.171 14.438 1.00 0.00 O
+ATOM 351 O5* A A 12 -5.465 2.421 13.967 1.00 0.00 O
+ATOM 352 C5* A A 12 -6.663 3.054 14.432 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.252 4.001 13.403 1.00 0.00 C
+ATOM 354 O4* A A 12 -6.674 5.327 13.528 1.00 0.00 O
+ATOM 355 C3* A A 12 -6.969 3.508 11.990 1.00 0.00 C
+ATOM 356 O3* A A 12 -8.147 3.554 11.179 1.00 0.00 O
+ATOM 357 C2* A A 12 -5.924 4.441 11.468 1.00 0.00 C
+ATOM 358 C1* A A 12 -6.058 5.707 12.276 1.00 0.00 C
+ATOM 359 N9 A A 12 -4.746 6.352 12.495 1.00 0.00 N
+ATOM 360 C8 A A 12 -3.559 5.814 12.872 1.00 0.00 C
+ATOM 361 N7 A A 12 -2.557 6.619 13.017 1.00 0.00 N
+ATOM 362 C5 A A 12 -3.136 7.852 12.695 1.00 0.00 C
+ATOM 363 C6 A A 12 -2.628 9.159 12.642 1.00 0.00 C
+ATOM 364 N6 A A 12 -1.360 9.472 12.928 1.00 0.00 N
+ATOM 365 N1 A A 12 -3.479 10.135 12.286 1.00 0.00 N
+ATOM 366 C2 A A 12 -4.748 9.855 11.999 1.00 0.00 C
+ATOM 367 N3 A A 12 -5.334 8.662 12.016 1.00 0.00 N
+ATOM 368 C4 A A 12 -4.467 7.696 12.376 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.441 3.644 15.310 1.00 0.00 H
+ATOM 370 2H5* A A 12 -7.395 2.272 14.687 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.329 4.068 13.551 1.00 0.00 H
+ATOM 372 H3* A A 12 -6.571 2.491 12.023 1.00 0.00 H
+ATOM 373 H1* A A 12 -6.714 6.399 11.749 1.00 0.00 H
+ATOM 374 H8 A A 12 -3.454 4.742 13.041 1.00 0.00 H
+ATOM 375 1H6 A A 12 -1.050 10.436 12.872 1.00 0.00 H
+ATOM 376 2H6 A A 12 -0.711 8.748 13.199 1.00 0.00 H
+ATOM 377 H2 A A 12 -5.374 10.698 11.714 1.00 0.00 H
+ATOM 378 1H2* A A 12 -4.928 4.007 11.614 1.00 0.00 H
+ATOM 379 2H2* A A 12 -6.123 4.657 10.418 1.00 0.00 H
+ATOM 380 P G A 13 -8.100 3.092 9.641 1.00 0.00 P
+ATOM 381 O1P G A 13 -9.373 2.405 9.305 1.00 0.00 O
+ATOM 382 O2P G A 13 -6.812 2.401 9.383 1.00 0.00 O
+ATOM 383 O5* G A 13 -8.077 4.526 8.919 1.00 0.00 O
+ATOM 384 C5* G A 13 -9.158 5.450 9.113 1.00 0.00 C
+ATOM 385 C4* G A 13 -8.963 6.749 8.345 1.00 0.00 C
+ATOM 386 O4* G A 13 -7.791 7.463 8.818 1.00 0.00 O
+ATOM 387 C3* G A 13 -8.763 6.478 6.861 1.00 0.00 C
+ATOM 388 O3* G A 13 -9.540 7.381 6.066 1.00 0.00 O
+ATOM 389 C2* G A 13 -7.299 6.690 6.636 1.00 0.00 C
+ATOM 390 C1* G A 13 -6.839 7.613 7.738 1.00 0.00 C
+ATOM 391 N9 G A 13 -5.476 7.274 8.195 1.00 0.00 N
+ATOM 392 C8 G A 13 -4.962 6.074 8.560 1.00 0.00 C
+ATOM 393 N7 G A 13 -3.751 6.048 9.000 1.00 0.00 N
+ATOM 394 C5 G A 13 -3.392 7.395 8.921 1.00 0.00 C
+ATOM 395 C6 G A 13 -2.171 8.029 9.261 1.00 0.00 C
+ATOM 396 O6 G A 13 -1.148 7.525 9.720 1.00 0.00 O
+ATOM 397 N1 G A 13 -2.225 9.391 9.025 1.00 0.00 N
+ATOM 398 C2 G A 13 -3.312 10.074 8.521 1.00 0.00 C
+ATOM 399 N2 G A 13 -3.150 11.384 8.333 1.00 0.00 N
+ATOM 400 N3 G A 13 -4.471 9.488 8.203 1.00 0.00 N
+ATOM 401 C4 G A 13 -4.443 8.153 8.424 1.00 0.00 C
+ATOM 402 1H5* G A 13 -9.223 5.710 10.159 1.00 0.00 H
+ATOM 403 2H5* G A 13 -10.090 4.961 8.794 1.00 0.00 H
+ATOM 404 H4* G A 13 -9.841 7.380 8.478 1.00 0.00 H
+ATOM 405 H3* G A 13 -9.028 5.444 6.632 1.00 0.00 H
+ATOM 406 H1* G A 13 -6.856 8.641 7.379 1.00 0.00 H
+ATOM 407 H8 G A 13 -5.544 5.158 8.459 1.00 0.00 H
+ATOM 408 H1 G A 13 -1.400 9.904 9.256 1.00 0.00 H
+ATOM 409 1H2 G A 13 -3.903 11.937 7.953 1.00 0.00 H
+ATOM 410 2H2 G A 13 -2.269 11.822 8.561 1.00 0.00 H
+ATOM 411 1H2* G A 13 -6.768 5.732 6.706 1.00 0.00 H
+ATOM 412 2H2* G A 13 -7.146 7.167 5.666 1.00 0.00 H
+ATOM 413 P G A 14 -9.498 7.309 4.463 1.00 0.00 P
+ATOM 414 O1P G A 14 -10.833 7.685 3.930 1.00 0.00 O
+ATOM 415 O2P G A 14 -8.891 6.018 4.055 1.00 0.00 O
+ATOM 416 O5* G A 14 -8.461 8.498 4.155 1.00 0.00 O
+ATOM 417 C5* G A 14 -8.699 9.815 4.671 1.00 0.00 C
+ATOM 418 C4* G A 14 -7.701 10.843 4.152 1.00 0.00 C
+ATOM 419 O4* G A 14 -6.441 10.752 4.866 1.00 0.00 O
+ATOM 420 C3* G A 14 -7.408 10.625 2.673 1.00 0.00 C
+ATOM 421 O3* G A 14 -7.473 11.859 1.949 1.00 0.00 O
+ATOM 422 C2* G A 14 -6.024 10.056 2.643 1.00 0.00 C
+ATOM 423 C1* G A 14 -5.369 10.497 3.929 1.00 0.00 C
+ATOM 424 N9 G A 14 -4.445 9.466 4.442 1.00 0.00 N
+ATOM 425 C8 G A 14 -4.637 8.133 4.594 1.00 0.00 C
+ATOM 426 N7 G A 14 -3.663 7.438 5.073 1.00 0.00 N
+ATOM 427 C5 G A 14 -2.687 8.416 5.271 1.00 0.00 C
+ATOM 428 C6 G A 14 -1.369 8.294 5.778 1.00 0.00 C
+ATOM 429 O6 G A 14 -0.787 7.284 6.166 1.00 0.00 O
+ATOM 430 N1 G A 14 -0.725 9.519 5.809 1.00 0.00 N
+ATOM 431 C2 G A 14 -1.270 10.719 5.405 1.00 0.00 C
+ATOM 432 N2 G A 14 -0.484 11.789 5.519 1.00 0.00 N
+ATOM 433 N3 G A 14 -2.508 10.847 4.926 1.00 0.00 N
+ATOM 434 C4 G A 14 -3.159 9.663 4.885 1.00 0.00 C
+ATOM 435 1H5* G A 14 -8.604 9.801 5.748 1.00 0.00 H
+ATOM 436 2H5* G A 14 -9.722 10.116 4.397 1.00 0.00 H
+ATOM 437 H4* G A 14 -8.115 11.840 4.289 1.00 0.00 H
+ATOM 438 H3* G A 14 -8.116 9.904 2.257 1.00 0.00 H
+ATOM 439 H1* G A 14 -4.818 11.421 3.754 1.00 0.00 H
+ATOM 440 H8 G A 14 -5.579 7.665 4.313 1.00 0.00 H
+ATOM 441 H1 G A 14 0.209 9.508 6.161 1.00 0.00 H
+ATOM 442 1H2 G A 14 -0.829 12.697 5.247 1.00 0.00 H
+ATOM 443 2H2 G A 14 0.456 11.690 5.874 1.00 0.00 H
+ATOM 444 1H2* G A 14 -6.075 8.960 2.609 1.00 0.00 H
+ATOM 445 2H2* G A 14 -5.474 10.463 1.786 1.00 0.00 H
+ATOM 446 P A A 15 -7.245 11.892 0.360 1.00 0.00 P
+ATOM 447 O1P A A 15 -8.115 12.942 -0.230 1.00 0.00 O
+ATOM 448 O2P A A 15 -7.321 10.506 -0.166 1.00 0.00 O
+ATOM 449 O5* A A 15 -5.719 12.389 0.302 1.00 0.00 O
+ATOM 450 C5* A A 15 -5.295 13.521 1.074 1.00 0.00 C
+ATOM 451 C4* A A 15 -3.835 13.878 0.841 1.00 0.00 C
+ATOM 452 O4* A A 15 -2.963 13.044 1.649 1.00 0.00 O
+ATOM 453 C3* A A 15 -3.445 13.667 -0.617 1.00 0.00 C
+ATOM 454 O3* A A 15 -2.718 14.785 -1.134 1.00 0.00 O
+ATOM 455 C2* A A 15 -2.587 12.446 -0.610 1.00 0.00 C
+ATOM 456 C1* A A 15 -2.035 12.343 0.790 1.00 0.00 C
+ATOM 457 N9 A A 15 -1.873 10.933 1.196 1.00 0.00 N
+ATOM 458 C8 A A 15 -2.704 9.875 1.022 1.00 0.00 C
+ATOM 459 N7 A A 15 -2.294 8.722 1.433 1.00 0.00 N
+ATOM 460 C5 A A 15 -1.035 9.041 1.949 1.00 0.00 C
+ATOM 461 C6 A A 15 -0.036 8.273 2.555 1.00 0.00 C
+ATOM 462 N6 A A 15 -0.129 6.957 2.737 1.00 0.00 N
+ATOM 463 N1 A A 15 1.075 8.912 2.948 1.00 0.00 N
+ATOM 464 C2 A A 15 1.208 10.224 2.760 1.00 0.00 C
+ATOM 465 N3 A A 15 0.332 11.044 2.195 1.00 0.00 N
+ATOM 466 C4 A A 15 -0.775 10.384 1.809 1.00 0.00 C
+ATOM 467 1H5* A A 15 -5.397 13.294 2.126 1.00 0.00 H
+ATOM 468 2H5* A A 15 -5.937 14.376 0.816 1.00 0.00 H
+ATOM 469 H4* A A 15 -3.674 14.922 1.108 1.00 0.00 H
+ATOM 470 H3* A A 15 -4.339 13.486 -1.219 1.00 0.00 H
+ATOM 471 H1* A A 15 -1.066 12.841 0.830 1.00 0.00 H
+ATOM 472 H8 A A 15 -3.682 9.995 0.558 1.00 0.00 H
+ATOM 473 1H6 A A 15 -0.954 6.462 2.432 1.00 0.00 H
+ATOM 474 2H6 A A 15 0.630 6.455 3.179 1.00 0.00 H
+ATOM 475 H2 A A 15 2.131 10.676 3.120 1.00 0.00 H
+ATOM 476 1H2* A A 15 -3.196 11.567 -0.840 1.00 0.00 H
+ATOM 477 2H2* A A 15 -1.766 12.568 -1.325 1.00 0.00 H
+ATOM 478 P T A 16 -2.177 14.763 -2.646 1.00 0.00 P
+ATOM 479 O1P T A 16 -2.378 16.103 -3.250 1.00 0.00 O
+ATOM 480 O2P T A 16 -2.722 13.565 -3.333 1.00 0.00 O
+ATOM 481 O5* T A 16 -0.608 14.540 -2.376 1.00 0.00 O
+ATOM 482 C5* T A 16 0.061 15.297 -1.359 1.00 0.00 C
+ATOM 483 C4* T A 16 1.519 14.894 -1.177 1.00 0.00 C
+ATOM 484 O4* T A 16 1.635 13.631 -0.473 1.00 0.00 O
+ATOM 485 C3* T A 16 2.227 14.741 -2.518 1.00 0.00 C
+ATOM 486 O3* T A 16 3.444 15.496 -2.548 1.00 0.00 O
+ATOM 487 C2* T A 16 2.500 13.272 -2.644 1.00 0.00 C
+ATOM 488 C1* T A 16 2.463 12.725 -1.237 1.00 0.00 C
+ATOM 489 N1 T A 16 1.927 11.348 -1.202 1.00 0.00 N
+ATOM 490 C2 T A 16 2.718 10.374 -0.618 1.00 0.00 C
+ATOM 491 O2 T A 16 3.823 10.626 -0.144 1.00 0.00 O
+ATOM 492 N3 T A 16 2.192 9.096 -0.601 1.00 0.00 N
+ATOM 493 C4 T A 16 0.968 8.711 -1.110 1.00 0.00 C
+ATOM 494 O4 T A 16 0.606 7.537 -1.044 1.00 0.00 O
+ATOM 495 C5 T A 16 0.210 9.792 -1.702 1.00 0.00 C
+ATOM 496 C5M T A 16 -1.159 9.504 -2.307 1.00 0.00 C
+ATOM 497 C6 T A 16 0.698 11.049 -1.729 1.00 0.00 C
+ATOM 498 1H5* T A 16 -0.431 15.129 -0.410 1.00 0.00 H
+ATOM 499 2H5* T A 16 -0.004 16.363 -1.622 1.00 0.00 H
+ATOM 500 H4* T A 16 2.026 15.665 -0.597 1.00 0.00 H
+ATOM 501 H3* T A 16 1.563 15.061 -3.324 1.00 0.00 H
+ATOM 502 1H2* T A 16 1.719 12.800 -3.251 1.00 0.00 H
+ATOM 503 2H2* T A 16 3.497 13.117 -3.074 1.00 0.00 H
+ATOM 504 H1* T A 16 3.472 12.730 -0.824 1.00 0.00 H
+ATOM 505 H3 T A 16 2.748 8.381 -0.173 1.00 0.00 H
+ATOM 506 1H5M T A 16 -1.366 8.435 -2.250 1.00 0.00 H
+ATOM 507 2H5M T A 16 -1.173 9.823 -3.342 1.00 0.00 H
+ATOM 508 3H5M T A 16 -1.917 10.048 -1.762 1.00 0.00 H
+ATOM 509 H6 T A 16 0.100 11.843 -2.175 1.00 0.00 H
+ATOM 510 H3T T A 16 3.563 15.880 -1.676 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
+MODEL 8
+ATOM 1 O5* A A 1 4.836 2.612 -0.804 1.00 0.00 O
+ATOM 2 C5* A A 1 6.022 3.132 -1.422 1.00 0.00 C
+ATOM 3 C4* A A 1 6.444 4.468 -0.830 1.00 0.00 C
+ATOM 4 O4* A A 1 5.581 5.539 -1.297 1.00 0.00 O
+ATOM 5 C3* A A 1 6.357 4.444 0.690 1.00 0.00 C
+ATOM 6 O3* A A 1 7.529 5.002 1.290 1.00 0.00 O
+ATOM 7 C2* A A 1 5.157 5.269 1.014 1.00 0.00 C
+ATOM 8 C1* A A 1 4.960 6.188 -0.164 1.00 0.00 C
+ATOM 9 N9 A A 1 3.526 6.440 -0.401 1.00 0.00 N
+ATOM 10 C8 A A 1 2.502 5.566 -0.567 1.00 0.00 C
+ATOM 11 N7 A A 1 1.321 6.058 -0.741 1.00 0.00 N
+ATOM 12 C5 A A 1 1.578 7.431 -0.686 1.00 0.00 C
+ATOM 13 C6 A A 1 0.753 8.556 -0.797 1.00 0.00 C
+ATOM 14 N6 A A 1 -0.562 8.479 -0.997 1.00 0.00 N
+ATOM 15 N1 A A 1 1.339 9.764 -0.695 1.00 0.00 N
+ATOM 16 C2 A A 1 2.653 9.863 -0.495 1.00 0.00 C
+ATOM 17 N3 A A 1 3.524 8.867 -0.374 1.00 0.00 N
+ATOM 18 C4 A A 1 2.917 7.669 -0.480 1.00 0.00 C
+ATOM 19 1H5* A A 1 5.835 3.299 -2.474 1.00 0.00 H
+ATOM 20 2H5* A A 1 6.828 2.395 -1.301 1.00 0.00 H
+ATOM 21 H4* A A 1 7.469 4.685 -1.127 1.00 0.00 H
+ATOM 22 H3* A A 1 6.205 3.419 1.036 1.00 0.00 H
+ATOM 23 H1* A A 1 5.464 7.135 0.030 1.00 0.00 H
+ATOM 24 H8 A A 1 2.670 4.490 -0.555 1.00 0.00 H
+ATOM 25 1H6 A A 1 -1.116 9.322 -1.069 1.00 0.00 H
+ATOM 26 2H6 A A 1 -1.007 7.575 -1.076 1.00 0.00 H
+ATOM 27 H2 A A 1 3.060 10.871 -0.425 1.00 0.00 H
+ATOM 28 1H2* A A 1 4.280 4.622 1.131 1.00 0.00 H
+ATOM 29 2H2* A A 1 5.351 5.857 1.915 1.00 0.00 H
+ATOM 30 H5T A A 1 4.531 3.270 -0.175 1.00 0.00 H
+ATOM 31 P T A 2 7.641 5.125 2.888 1.00 0.00 P
+ATOM 32 O1P T A 2 9.055 4.913 3.290 1.00 0.00 O
+ATOM 33 O2P T A 2 6.578 4.296 3.509 1.00 0.00 O
+ATOM 34 O5* T A 2 7.271 6.681 3.074 1.00 0.00 O
+ATOM 35 C5* T A 2 7.876 7.672 2.230 1.00 0.00 C
+ATOM 36 C4* T A 2 7.354 9.084 2.485 1.00 0.00 C
+ATOM 37 O4* T A 2 5.983 9.248 2.027 1.00 0.00 O
+ATOM 38 C3* T A 2 7.378 9.424 3.969 1.00 0.00 C
+ATOM 39 O3* T A 2 8.034 10.676 4.198 1.00 0.00 O
+ATOM 40 C2* T A 2 5.940 9.501 4.370 1.00 0.00 C
+ATOM 41 C1* T A 2 5.178 9.791 3.103 1.00 0.00 C
+ATOM 42 N1 T A 2 3.822 9.199 3.123 1.00 0.00 N
+ATOM 43 C2 T A 2 2.750 10.058 2.990 1.00 0.00 C
+ATOM 44 O2 T A 2 2.890 11.277 2.927 1.00 0.00 O
+ATOM 45 N3 T A 2 1.503 9.466 2.949 1.00 0.00 N
+ATOM 46 C4 T A 2 1.236 8.112 3.030 1.00 0.00 C
+ATOM 47 O4 T A 2 0.082 7.696 2.972 1.00 0.00 O
+ATOM 48 C5 T A 2 2.417 7.293 3.173 1.00 0.00 C
+ATOM 49 C5M T A 2 2.272 5.776 3.263 1.00 0.00 C
+ATOM 50 C6 T A 2 3.645 7.846 3.218 1.00 0.00 C
+ATOM 51 1H5* T A 2 7.662 7.440 1.196 1.00 0.00 H
+ATOM 52 2H5* T A 2 8.964 7.643 2.394 1.00 0.00 H
+ATOM 53 H4* T A 2 7.986 9.793 1.951 1.00 0.00 H
+ATOM 54 H3* T A 2 7.876 8.626 4.525 1.00 0.00 H
+ATOM 55 1H2* T A 2 5.617 8.540 4.788 1.00 0.00 H
+ATOM 56 2H2* T A 2 5.806 10.318 5.080 1.00 0.00 H
+ATOM 57 H1* T A 2 5.098 10.872 2.977 1.00 0.00 H
+ATOM 58 H3 T A 2 0.718 10.073 2.845 1.00 0.00 H
+ATOM 59 1H5M T A 2 2.088 5.369 2.278 1.00 0.00 H
+ATOM 60 2H5M T A 2 1.436 5.529 3.909 1.00 0.00 H
+ATOM 61 3H5M T A 2 3.187 5.346 3.665 1.00 0.00 H
+ATOM 62 H6 T A 2 4.514 7.208 3.350 1.00 0.00 H
+ATOM 63 P C A 3 8.157 11.276 5.684 1.00 0.00 P
+ATOM 64 O1P C A 3 9.408 12.070 5.781 1.00 0.00 O
+ATOM 65 O2P C A 3 7.906 10.191 6.665 1.00 0.00 O
+ATOM 66 O5* C A 3 6.901 12.283 5.684 1.00 0.00 O
+ATOM 67 C5* C A 3 6.731 13.231 4.621 1.00 0.00 C
+ATOM 68 C4* C A 3 5.633 14.250 4.903 1.00 0.00 C
+ATOM 69 O4* C A 3 4.323 13.706 4.601 1.00 0.00 O
+ATOM 70 C3* C A 3 5.629 14.667 6.366 1.00 0.00 C
+ATOM 71 O3* C A 3 5.580 16.089 6.500 1.00 0.00 O
+ATOM 72 C2* C A 3 4.401 14.036 6.942 1.00 0.00 C
+ATOM 73 C1* C A 3 3.479 13.786 5.773 1.00 0.00 C
+ATOM 74 N1 C A 3 2.698 12.541 5.950 1.00 0.00 N
+ATOM 75 C2 C A 3 1.322 12.628 5.847 1.00 0.00 C
+ATOM 76 O2 C A 3 0.780 13.716 5.664 1.00 0.00 O
+ATOM 77 N3 C A 3 0.598 11.485 5.960 1.00 0.00 N
+ATOM 78 C4 C A 3 1.191 10.305 6.168 1.00 0.00 C
+ATOM 79 N4 C A 3 0.443 9.206 6.271 1.00 0.00 N
+ATOM 80 C5 C A 3 2.610 10.211 6.281 1.00 0.00 C
+ATOM 81 C6 C A 3 3.320 11.347 6.170 1.00 0.00 C
+ATOM 82 1H5* C A 3 6.449 12.709 3.717 1.00 0.00 H
+ATOM 83 2H5* C A 3 7.689 13.749 4.463 1.00 0.00 H
+ATOM 84 H4* C A 3 5.800 15.130 4.284 1.00 0.00 H
+ATOM 85 H3* C A 3 6.515 14.270 6.867 1.00 0.00 H
+ATOM 86 H1* C A 3 2.797 14.630 5.669 1.00 0.00 H
+ATOM 87 1H4 C A 3 -0.561 9.270 6.190 1.00 0.00 H
+ATOM 88 2H4 C A 3 0.881 8.310 6.429 1.00 0.00 H
+ATOM 89 H5 C A 3 3.100 9.251 6.446 1.00 0.00 H
+ATOM 90 H6 C A 3 4.400 11.314 6.267 1.00 0.00 H
+ATOM 91 1H2* C A 3 4.660 13.090 7.426 1.00 0.00 H
+ATOM 92 2H2* C A 3 3.927 14.731 7.641 1.00 0.00 H
+ATOM 93 P C A 4 5.552 16.764 7.955 1.00 0.00 P
+ATOM 94 O1P C A 4 6.178 18.108 7.877 1.00 0.00 O
+ATOM 95 O2P C A 4 6.053 15.782 8.951 1.00 0.00 O
+ATOM 96 O5* C A 4 3.967 16.938 8.151 1.00 0.00 O
+ATOM 97 C5* C A 4 3.161 17.453 7.083 1.00 0.00 C
+ATOM 98 C4* C A 4 1.725 17.726 7.506 1.00 0.00 C
+ATOM 99 O4* C A 4 0.895 16.545 7.337 1.00 0.00 O
+ATOM 100 C3* C A 4 1.646 18.135 8.973 1.00 0.00 C
+ATOM 101 O3* C A 4 0.900 19.343 9.145 1.00 0.00 O
+ATOM 102 C2* C A 4 0.968 16.992 9.656 1.00 0.00 C
+ATOM 103 C1* C A 4 0.217 16.249 8.579 1.00 0.00 C
+ATOM 104 N1 C A 4 0.185 14.790 8.844 1.00 0.00 N
+ATOM 105 C2 C A 4 -1.054 14.171 8.854 1.00 0.00 C
+ATOM 106 O2 C A 4 -2.077 14.826 8.662 1.00 0.00 O
+ATOM 107 N3 C A 4 -1.102 12.833 9.082 1.00 0.00 N
+ATOM 108 C4 C A 4 0.014 12.124 9.293 1.00 0.00 C
+ATOM 109 N4 C A 4 -0.071 10.810 9.510 1.00 0.00 N
+ATOM 110 C5 C A 4 1.294 12.756 9.285 1.00 0.00 C
+ATOM 111 C6 C A 4 1.335 14.082 9.059 1.00 0.00 C
+ATOM 112 1H5* C A 4 3.119 16.726 6.284 1.00 0.00 H
+ATOM 113 2H5* C A 4 3.624 18.380 6.714 1.00 0.00 H
+ATOM 114 H4* C A 4 1.320 18.530 6.892 1.00 0.00 H
+ATOM 115 H3* C A 4 2.654 18.257 9.377 1.00 0.00 H
+ATOM 116 H1* C A 4 -0.802 16.630 8.527 1.00 0.00 H
+ATOM 117 1H4 C A 4 -0.973 10.353 9.518 1.00 0.00 H
+ATOM 118 2H4 C A 4 0.768 10.270 9.663 1.00 0.00 H
+ATOM 119 H5 C A 4 2.207 12.184 9.458 1.00 0.00 H
+ATOM 120 H6 C A 4 2.294 14.592 9.047 1.00 0.00 H
+ATOM 121 1H2* C A 4 1.714 16.341 10.121 1.00 0.00 H
+ATOM 122 2H2* C A 4 0.261 17.381 10.388 1.00 0.00 H
+ATOM 123 P T A 5 0.677 19.949 10.616 1.00 0.00 P
+ATOM 124 O1P T A 5 0.657 21.432 10.533 1.00 0.00 O
+ATOM 125 O2P T A 5 1.616 19.287 11.558 1.00 0.00 O
+ATOM 126 O5* T A 5 -0.811 19.425 10.912 1.00 0.00 O
+ATOM 127 C5* T A 5 -1.860 19.664 9.966 1.00 0.00 C
+ATOM 128 C4* T A 5 -3.172 19.007 10.367 1.00 0.00 C
+ATOM 129 O4* T A 5 -3.056 17.561 10.362 1.00 0.00 O
+ATOM 130 C3* T A 5 -3.593 19.430 11.768 1.00 0.00 C
+ATOM 131 O3* T A 5 -4.961 19.858 11.784 1.00 0.00 O
+ATOM 132 C2* T A 5 -3.395 18.207 12.613 1.00 0.00 C
+ATOM 133 C1* T A 5 -3.419 17.036 11.660 1.00 0.00 C
+ATOM 134 N1 T A 5 -2.488 15.958 12.071 1.00 0.00 N
+ATOM 135 C2 T A 5 -3.007 14.681 12.180 1.00 0.00 C
+ATOM 136 O2 T A 5 -4.204 14.447 12.030 1.00 0.00 O
+ATOM 137 N3 T A 5 -2.103 13.677 12.480 1.00 0.00 N
+ATOM 138 C4 T A 5 -0.746 13.836 12.679 1.00 0.00 C
+ATOM 139 O4 T A 5 -0.039 12.860 12.931 1.00 0.00 O
+ATOM 140 C5 T A 5 -0.289 15.203 12.554 1.00 0.00 C
+ATOM 141 C5M T A 5 1.194 15.520 12.732 1.00 0.00 C
+ATOM 142 C6 T A 5 -1.151 16.202 12.264 1.00 0.00 C
+ATOM 143 1H5* T A 5 -1.581 19.249 9.008 1.00 0.00 H
+ATOM 144 2H5* T A 5 -1.999 20.751 9.871 1.00 0.00 H
+ATOM 145 H4* T A 5 -3.946 19.300 9.660 1.00 0.00 H
+ATOM 146 H3* T A 5 -2.942 20.231 12.124 1.00 0.00 H
+ATOM 147 1H2* T A 5 -2.427 18.259 13.123 1.00 0.00 H
+ATOM 148 2H2* T A 5 -4.224 18.117 13.324 1.00 0.00 H
+ATOM 149 H1* T A 5 -4.432 16.636 11.611 1.00 0.00 H
+ATOM 150 H3 T A 5 -2.462 12.745 12.554 1.00 0.00 H
+ATOM 151 1H5M T A 5 1.358 16.589 12.597 1.00 0.00 H
+ATOM 152 2H5M T A 5 1.774 14.970 12.000 1.00 0.00 H
+ATOM 153 3H5M T A 5 1.512 15.227 13.724 1.00 0.00 H
+ATOM 154 H6 T A 5 -0.780 17.222 12.203 1.00 0.00 H
+ATOM 155 P A A 6 -5.623 20.430 13.129 1.00 0.00 P
+ATOM 156 O1P A A 6 -6.728 21.353 12.770 1.00 0.00 O
+ATOM 157 O2P A A 6 -4.544 20.906 14.033 1.00 0.00 O
+ATOM 158 O5* A A 6 -6.248 19.080 13.728 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.515 18.594 13.262 1.00 0.00 C
+ATOM 160 C4* A A 6 -8.022 17.427 14.094 1.00 0.00 C
+ATOM 161 O4* A A 6 -7.106 16.304 14.011 1.00 0.00 O
+ATOM 162 C3* A A 6 -8.132 17.823 15.563 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.384 17.402 16.126 1.00 0.00 O
+ATOM 164 C2* A A 6 -6.995 17.117 16.223 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.691 15.937 15.341 1.00 0.00 C
+ATOM 166 N9 A A 6 -5.266 15.560 15.407 1.00 0.00 N
+ATOM 167 C8 A A 6 -4.149 16.331 15.454 1.00 0.00 C
+ATOM 168 N7 A A 6 -3.018 15.729 15.617 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.422 14.391 15.685 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.723 13.192 15.857 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.403 13.133 16.029 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.442 12.056 15.873 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.768 12.092 15.730 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.524 13.165 15.567 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.786 14.287 15.552 1.00 0.00 C
+ATOM 176 1H5* A A 6 -7.415 18.236 12.247 1.00 0.00 H
+ATOM 177 2H5* A A 6 -8.239 19.422 13.296 1.00 0.00 H
+ATOM 178 H4* A A 6 -8.999 17.120 13.727 1.00 0.00 H
+ATOM 179 H3* A A 6 -8.011 18.903 15.670 1.00 0.00 H
+ATOM 180 H1* A A 6 -7.294 15.090 15.672 1.00 0.00 H
+ATOM 181 H8 A A 6 -4.204 17.415 15.363 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.856 13.983 16.038 1.00 0.00 H
+ATOM 183 2H6 A A 6 -0.950 12.238 16.154 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.289 11.138 15.741 1.00 0.00 H
+ATOM 185 1H2* A A 6 -6.127 17.783 16.272 1.00 0.00 H
+ATOM 186 2H2* A A 6 -7.294 16.773 17.213 1.00 0.00 H
+ATOM 187 P G A 7 -9.933 18.059 17.488 1.00 0.00 P
+ATOM 188 O1P G A 7 -11.389 18.310 17.347 1.00 0.00 O
+ATOM 189 O2P G A 7 -9.041 19.183 17.875 1.00 0.00 O
+ATOM 190 O5* G A 7 -9.711 16.840 18.519 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.144 15.507 18.196 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.575 14.452 19.152 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.179 14.197 18.852 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.655 14.868 20.632 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.215 13.823 21.435 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.238 15.136 21.031 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.375 14.389 20.039 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.140 15.141 19.721 1.00 0.00 N
+ATOM 199 C8 G A 7 -5.965 16.466 19.476 1.00 0.00 C
+ATOM 200 N7 G A 7 -4.773 16.870 19.197 1.00 0.00 N
+ATOM 201 C5 G A 7 -4.044 15.679 19.257 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.659 15.451 19.044 1.00 0.00 C
+ATOM 203 O6 G A 7 -1.789 16.268 18.752 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.331 14.111 19.201 1.00 0.00 N
+ATOM 205 C2 G A 7 -3.223 13.108 19.525 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.713 11.883 19.639 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.531 13.312 19.727 1.00 0.00 N
+ATOM 208 C4 G A 7 -4.872 14.615 19.579 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.787 15.250 17.209 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.247 15.479 18.194 1.00 0.00 H
+ATOM 211 H4* G A 7 -10.130 13.524 19.020 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.237 15.785 20.745 1.00 0.00 H
+ATOM 213 H1* G A 7 -7.107 13.418 20.454 1.00 0.00 H
+ATOM 214 H8 G A 7 -6.801 17.164 19.507 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.360 13.873 19.062 1.00 0.00 H
+ATOM 216 1H2 G A 7 -3.313 11.106 19.878 1.00 0.00 H
+ATOM 217 2H2 G A 7 -1.726 11.731 19.486 1.00 0.00 H
+ATOM 218 1H2* G A 7 -8.035 16.209 20.986 1.00 0.00 H
+ATOM 219 2H2* G A 7 -8.065 14.737 22.036 1.00 0.00 H
+ATOM 220 P T A 8 -10.455 14.047 23.009 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.705 13.349 23.409 1.00 0.00 O
+ATOM 222 O2P T A 8 -10.303 15.492 23.317 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.196 13.248 23.613 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.282 11.837 23.868 1.00 0.00 C
+ATOM 225 C4* T A 8 -7.911 11.191 24.053 1.00 0.00 C
+ATOM 226 O4* T A 8 -6.904 11.921 23.311 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.472 11.174 25.519 1.00 0.00 C
+ATOM 228 O3* T A 8 -6.967 9.878 25.883 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.390 12.203 25.597 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.837 12.320 24.198 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.367 13.693 23.909 1.00 0.00 N
+ATOM 232 C2 T A 8 -4.066 13.832 23.458 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.325 12.866 23.289 1.00 0.00 O
+ATOM 234 N3 T A 8 -3.643 15.123 23.209 1.00 0.00 N
+ATOM 235 C4 T A 8 -4.397 16.273 23.371 1.00 0.00 C
+ATOM 236 O4 T A 8 -3.918 17.376 23.118 1.00 0.00 O
+ATOM 237 C5 T A 8 -5.741 16.033 23.844 1.00 0.00 C
+ATOM 238 C5M T A 8 -6.675 17.213 24.075 1.00 0.00 C
+ATOM 239 C6 T A 8 -6.179 14.782 24.092 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.743 11.349 23.020 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.903 11.681 24.761 1.00 0.00 H
+ATOM 242 H4* T A 8 -7.947 10.168 23.680 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.303 11.456 26.169 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.817 13.159 25.915 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.609 11.868 26.279 1.00 0.00 H
+ATOM 246 H1* T A 8 -5.002 11.621 24.081 1.00 0.00 H
+ATOM 247 H3 T A 8 -2.695 15.240 22.880 1.00 0.00 H
+ATOM 248 1H5M T A 8 -6.317 17.797 24.923 1.00 0.00 H
+ATOM 249 2H5M T A 8 -7.680 16.847 24.285 1.00 0.00 H
+ATOM 250 3H5M T A 8 -6.696 17.841 23.186 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.202 14.638 24.438 1.00 0.00 H
+ATOM 252 P T A 9 -6.619 9.517 27.412 1.00 0.00 P
+ATOM 253 O1P T A 9 -6.544 8.040 27.553 1.00 0.00 O
+ATOM 254 O2P T A 9 -7.524 10.284 28.305 1.00 0.00 O
+ATOM 255 O5* T A 9 -5.133 10.124 27.528 1.00 0.00 O
+ATOM 256 C5* T A 9 -4.004 9.443 26.953 1.00 0.00 C
+ATOM 257 C4* T A 9 -3.247 10.315 25.959 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.369 11.719 26.305 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.763 9.978 25.933 1.00 0.00 C
+ATOM 260 O3* T A 9 -1.301 9.861 24.585 1.00 0.00 O
+ATOM 261 C2* T A 9 -1.100 11.128 26.627 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.053 12.289 26.496 1.00 0.00 C
+ATOM 263 N1 T A 9 -2.010 13.151 27.696 1.00 0.00 N
+ATOM 264 C2 T A 9 -1.532 14.438 27.533 1.00 0.00 C
+ATOM 265 O2 T A 9 -1.145 14.859 26.446 1.00 0.00 O
+ATOM 266 N3 T A 9 -1.515 15.228 28.667 1.00 0.00 N
+ATOM 267 C4 T A 9 -1.929 14.846 29.931 1.00 0.00 C
+ATOM 268 O4 T A 9 -1.872 15.635 30.873 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.411 13.485 30.006 1.00 0.00 C
+ATOM 270 C5M T A 9 -2.912 12.939 31.338 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.435 12.694 28.915 1.00 0.00 C
+ATOM 272 1H5* T A 9 -4.346 8.573 26.408 1.00 0.00 H
+ATOM 273 2H5* T A 9 -3.335 9.132 27.767 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.656 10.156 24.963 1.00 0.00 H
+ATOM 275 H3* T A 9 -1.576 9.054 26.482 1.00 0.00 H
+ATOM 276 1H2* T A 9 -0.948 10.887 27.686 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.153 11.367 26.125 1.00 0.00 H
+ATOM 278 H1* T A 9 -1.786 12.877 25.619 1.00 0.00 H
+ATOM 279 H3 T A 9 -1.163 16.169 28.564 1.00 0.00 H
+ATOM 280 1H5M T A 9 -3.567 13.673 31.808 1.00 0.00 H
+ATOM 281 2H5M T A 9 -2.064 12.738 31.993 1.00 0.00 H
+ATOM 282 3H5M T A 9 -3.466 12.016 31.166 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.784 11.667 29.010 1.00 0.00 H
+ATOM 284 P A A 10 -0.319 8.671 24.159 1.00 0.00 P
+ATOM 285 O1P A A 10 0.547 8.326 25.315 1.00 0.00 O
+ATOM 286 O2P A A 10 0.310 9.007 22.856 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.386 7.490 23.937 1.00 0.00 O
+ATOM 288 C5* A A 10 -0.958 6.128 24.029 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.653 5.216 23.023 1.00 0.00 C
+ATOM 290 O4* A A 10 -2.919 5.795 22.615 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.793 5.074 21.775 1.00 0.00 C
+ATOM 292 O3* A A 10 -0.978 3.797 21.159 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.299 6.165 20.900 1.00 0.00 C
+ATOM 294 C1* A A 10 -2.751 6.338 21.298 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.229 7.729 21.254 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.533 8.879 21.341 1.00 0.00 C
+ATOM 297 N7 A A 10 -3.199 9.982 21.385 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.511 9.520 21.343 1.00 0.00 C
+ATOM 299 C6 A A 10 -5.742 10.175 21.355 1.00 0.00 C
+ATOM 300 N6 A A 10 -5.852 11.502 21.346 1.00 0.00 N
+ATOM 301 N1 A A 10 -6.850 9.414 21.308 1.00 0.00 N
+ATOM 302 C2 A A 10 -6.752 8.085 21.249 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.636 7.362 21.225 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.542 8.149 21.276 1.00 0.00 C
+ATOM 305 1H5* A A 10 -1.218 5.767 24.998 1.00 0.00 H
+ATOM 306 2H5* A A 10 0.132 6.090 23.906 1.00 0.00 H
+ATOM 307 H4* A A 10 -1.825 4.238 23.468 1.00 0.00 H
+ATOM 308 H3* A A 10 0.261 5.238 22.008 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.353 5.759 20.613 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.472 8.864 21.510 1.00 0.00 H
+ATOM 311 1H6 A A 10 -6.765 11.932 21.356 1.00 0.00 H
+ATOM 312 2H6 A A 10 -5.022 12.078 21.328 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.690 7.531 21.218 1.00 0.00 H
+ATOM 314 1H2* A A 10 -0.730 7.074 21.089 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.236 5.855 19.849 1.00 0.00 H
+ATOM 316 P T A 11 -0.207 3.429 19.800 1.00 0.00 P
+ATOM 317 O1P T A 11 0.142 1.986 19.819 1.00 0.00 O
+ATOM 318 O2P T A 11 0.860 4.435 19.561 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.395 3.663 18.744 1.00 0.00 O
+ATOM 320 C5* T A 11 -2.566 2.842 18.807 1.00 0.00 C
+ATOM 321 C4* T A 11 -3.776 3.462 18.115 1.00 0.00 C
+ATOM 322 O4* T A 11 -3.781 4.909 18.234 1.00 0.00 O
+ATOM 323 C3* T A 11 -3.814 3.125 16.629 1.00 0.00 C
+ATOM 324 O3* T A 11 -5.079 2.558 16.272 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.594 4.434 15.933 1.00 0.00 C
+ATOM 326 C1* T A 11 -3.988 5.493 16.928 1.00 0.00 C
+ATOM 327 N1 T A 11 -3.200 6.732 16.752 1.00 0.00 N
+ATOM 328 C2 T A 11 -3.890 7.874 16.392 1.00 0.00 C
+ATOM 329 O2 T A 11 -5.105 7.871 16.198 1.00 0.00 O
+ATOM 330 N3 T A 11 -3.137 9.023 16.264 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.773 9.133 16.467 1.00 0.00 C
+ATOM 332 O4 T A 11 -1.204 10.217 16.345 1.00 0.00 O
+ATOM 333 C5 T A 11 -1.134 7.890 16.836 1.00 0.00 C
+ATOM 334 C5M T A 11 0.368 7.869 17.094 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.847 6.751 16.963 1.00 0.00 C
+ATOM 336 1H5* T A 11 -2.840 2.700 19.844 1.00 0.00 H
+ATOM 337 2H5* T A 11 -2.331 1.867 18.355 1.00 0.00 H
+ATOM 338 H4* T A 11 -4.680 3.073 18.583 1.00 0.00 H
+ATOM 339 H3* T A 11 -3.006 2.434 16.378 1.00 0.00 H
+ATOM 340 1H2* T A 11 -2.534 4.544 15.671 1.00 0.00 H
+ATOM 341 2H2* T A 11 -4.239 4.496 15.049 1.00 0.00 H
+ATOM 342 H1* T A 11 -5.047 5.721 16.805 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.624 9.853 15.978 1.00 0.00 H
+ATOM 344 1H5M T A 11 0.837 7.130 16.452 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.554 7.606 18.127 1.00 0.00 H
+ATOM 346 3H5M T A 11 0.788 8.853 16.889 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.336 5.827 17.227 1.00 0.00 H
+ATOM 348 P A A 12 -5.385 2.125 14.757 1.00 0.00 P
+ATOM 349 O1P A A 12 -6.361 1.006 14.767 1.00 0.00 O
+ATOM 350 O2P A A 12 -4.098 1.962 14.033 1.00 0.00 O
+ATOM 351 O5* A A 12 -6.117 3.452 14.230 1.00 0.00 O
+ATOM 352 C5* A A 12 -7.119 4.096 15.029 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.846 5.196 14.272 1.00 0.00 C
+ATOM 354 O4* A A 12 -7.138 6.460 14.383 1.00 0.00 O
+ATOM 355 C3* A A 12 -7.946 4.859 12.793 1.00 0.00 C
+ATOM 356 O3* A A 12 -9.268 5.096 12.300 1.00 0.00 O
+ATOM 357 C2* A A 12 -6.964 5.771 12.129 1.00 0.00 C
+ATOM 358 C1* A A 12 -6.798 6.942 13.064 1.00 0.00 C
+ATOM 359 N9 A A 12 -5.421 7.482 13.023 1.00 0.00 N
+ATOM 360 C8 A A 12 -4.231 6.849 13.160 1.00 0.00 C
+ATOM 361 N7 A A 12 -3.159 7.573 13.119 1.00 0.00 N
+ATOM 362 C5 A A 12 -3.692 8.853 12.931 1.00 0.00 C
+ATOM 363 C6 A A 12 -3.106 10.118 12.797 1.00 0.00 C
+ATOM 364 N6 A A 12 -1.787 10.331 12.848 1.00 0.00 N
+ATOM 365 N1 A A 12 -3.931 11.162 12.621 1.00 0.00 N
+ATOM 366 C2 A A 12 -5.247 10.985 12.579 1.00 0.00 C
+ATOM 367 N3 A A 12 -5.909 9.839 12.694 1.00 0.00 N
+ATOM 368 C4 A A 12 -5.067 8.803 12.869 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.652 4.560 15.886 1.00 0.00 H
+ATOM 370 2H5* A A 12 -7.836 3.334 15.367 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.848 5.313 14.683 1.00 0.00 H
+ATOM 372 H3* A A 12 -7.659 3.818 12.626 1.00 0.00 H
+ATOM 373 H1* A A 12 -7.500 7.727 12.778 1.00 0.00 H
+ATOM 374 H8 A A 12 -4.176 5.768 13.288 1.00 0.00 H
+ATOM 375 1H6 A A 12 -1.421 11.272 12.745 1.00 0.00 H
+ATOM 376 2H6 A A 12 -1.157 9.558 12.989 1.00 0.00 H
+ATOM 377 H2 A A 12 -5.845 11.878 12.433 1.00 0.00 H
+ATOM 378 1H2* A A 12 -6.003 5.256 12.000 1.00 0.00 H
+ATOM 379 2H2* A A 12 -7.372 6.114 11.176 1.00 0.00 H
+ATOM 380 P G A 13 -9.623 4.836 10.757 1.00 0.00 P
+ATOM 381 O1P G A 13 -11.031 4.379 10.657 1.00 0.00 O
+ATOM 382 O2P G A 13 -8.547 4.014 10.145 1.00 0.00 O
+ATOM 383 O5* G A 13 -9.519 6.336 10.187 1.00 0.00 O
+ATOM 384 C5* G A 13 -10.495 7.323 10.555 1.00 0.00 C
+ATOM 385 C4* G A 13 -10.291 8.651 9.836 1.00 0.00 C
+ATOM 386 O4* G A 13 -8.977 9.201 10.117 1.00 0.00 O
+ATOM 387 C3* G A 13 -10.398 8.472 8.328 1.00 0.00 C
+ATOM 388 O3* G A 13 -11.218 9.489 7.741 1.00 0.00 O
+ATOM 389 C2* G A 13 -8.993 8.578 7.836 1.00 0.00 C
+ATOM 390 C1* G A 13 -8.249 9.375 8.879 1.00 0.00 C
+ATOM 391 N9 G A 13 -6.854 8.910 9.014 1.00 0.00 N
+ATOM 392 C8 G A 13 -6.380 7.656 9.198 1.00 0.00 C
+ATOM 393 N7 G A 13 -5.109 7.510 9.347 1.00 0.00 N
+ATOM 394 C5 G A 13 -4.659 8.828 9.247 1.00 0.00 C
+ATOM 395 C6 G A 13 -3.341 9.345 9.326 1.00 0.00 C
+ATOM 396 O6 G A 13 -2.289 8.736 9.510 1.00 0.00 O
+ATOM 397 N1 G A 13 -3.328 10.721 9.172 1.00 0.00 N
+ATOM 398 C2 G A 13 -4.436 11.513 8.960 1.00 0.00 C
+ATOM 399 N2 G A 13 -4.208 12.818 8.802 1.00 0.00 N
+ATOM 400 N3 G A 13 -5.683 11.037 8.889 1.00 0.00 N
+ATOM 401 C4 G A 13 -5.723 9.694 9.038 1.00 0.00 C
+ATOM 402 1H5* G A 13 -10.419 7.525 11.615 1.00 0.00 H
+ATOM 403 2H5* G A 13 -11.495 6.923 10.327 1.00 0.00 H
+ATOM 404 H4* G A 13 -11.050 9.358 10.170 1.00 0.00 H
+ATOM 405 H3* G A 13 -10.797 7.482 8.099 1.00 0.00 H
+ATOM 406 H1* G A 13 -8.254 10.429 8.601 1.00 0.00 H
+ATOM 407 H8 G A 13 -7.049 6.798 9.194 1.00 0.00 H
+ATOM 408 H1 G A 13 -2.430 11.155 9.240 1.00 0.00 H
+ATOM 409 1H2 G A 13 -4.977 13.447 8.630 1.00 0.00 H
+ATOM 410 2H2 G A 13 -3.264 13.175 8.844 1.00 0.00 H
+ATOM 411 1H2* G A 13 -8.553 7.577 7.748 1.00 0.00 H
+ATOM 412 2H2* G A 13 -8.982 9.110 6.881 1.00 0.00 H
+ATOM 413 P G A 14 -11.460 9.526 6.153 1.00 0.00 P
+ATOM 414 O1P G A 14 -12.873 9.898 5.890 1.00 0.00 O
+ATOM 415 O2P G A 14 -10.913 8.283 5.553 1.00 0.00 O
+ATOM 416 O5* G A 14 -10.512 10.761 5.750 1.00 0.00 O
+ATOM 417 C5* G A 14 -10.621 12.013 6.439 1.00 0.00 C
+ATOM 418 C4* G A 14 -9.648 13.064 5.917 1.00 0.00 C
+ATOM 419 O4* G A 14 -8.300 12.813 6.394 1.00 0.00 O
+ATOM 420 C3* G A 14 -9.598 13.063 4.392 1.00 0.00 C
+ATOM 421 O3* G A 14 -9.720 14.388 3.867 1.00 0.00 O
+ATOM 422 C2* G A 14 -8.262 12.490 4.054 1.00 0.00 C
+ATOM 423 C1* G A 14 -7.400 12.715 5.266 1.00 0.00 C
+ATOM 424 N9 G A 14 -6.434 11.616 5.435 1.00 0.00 N
+ATOM 425 C8 G A 14 -6.648 10.284 5.520 1.00 0.00 C
+ATOM 426 N7 G A 14 -5.622 9.519 5.667 1.00 0.00 N
+ATOM 427 C5 G A 14 -4.581 10.448 5.679 1.00 0.00 C
+ATOM 428 C6 G A 14 -3.186 10.245 5.808 1.00 0.00 C
+ATOM 429 O6 G A 14 -2.576 9.186 5.946 1.00 0.00 O
+ATOM 430 N1 G A 14 -2.495 11.445 5.765 1.00 0.00 N
+ATOM 431 C2 G A 14 -3.067 12.690 5.618 1.00 0.00 C
+ATOM 432 N2 G A 14 -2.230 13.726 5.603 1.00 0.00 N
+ATOM 433 N3 G A 14 -4.377 12.893 5.498 1.00 0.00 N
+ATOM 434 C4 G A 14 -5.072 11.736 5.535 1.00 0.00 C
+ATOM 435 1H5* G A 14 -10.390 11.866 7.484 1.00 0.00 H
+ATOM 436 2H5* G A 14 -11.655 12.375 6.336 1.00 0.00 H
+ATOM 437 H4* G A 14 -9.967 14.047 6.263 1.00 0.00 H
+ATOM 438 H3* G A 14 -10.386 12.422 3.995 1.00 0.00 H
+ATOM 439 H1* G A 14 -6.859 13.657 5.154 1.00 0.00 H
+ATOM 440 H8 G A 14 -7.651 9.872 5.442 1.00 0.00 H
+ATOM 441 H1 G A 14 -1.506 11.379 5.851 1.00 0.00 H
+ATOM 442 1H2 G A 14 -2.589 14.663 5.502 1.00 0.00 H
+ATOM 443 2H2 G A 14 -1.236 13.571 5.689 1.00 0.00 H
+ATOM 444 1H2* G A 14 -8.357 11.415 3.859 1.00 0.00 H
+ATOM 445 2H2* G A 14 -7.842 13.023 3.196 1.00 0.00 H
+ATOM 446 P A A 15 -9.652 14.639 2.281 1.00 0.00 P
+ATOM 447 O1P A A 15 -10.540 15.778 1.932 1.00 0.00 O
+ATOM 448 O2P A A 15 -9.826 13.341 1.581 1.00 0.00 O
+ATOM 449 O5* A A 15 -8.121 15.110 2.136 1.00 0.00 O
+ATOM 450 C5* A A 15 -7.585 16.113 3.012 1.00 0.00 C
+ATOM 451 C4* A A 15 -6.158 16.510 2.653 1.00 0.00 C
+ATOM 452 O4* A A 15 -5.206 15.526 3.134 1.00 0.00 O
+ATOM 453 C3* A A 15 -5.978 16.624 1.144 1.00 0.00 C
+ATOM 454 O3* A A 15 -5.331 17.852 0.785 1.00 0.00 O
+ATOM 455 C2* A A 15 -5.133 15.447 0.773 1.00 0.00 C
+ATOM 456 C1* A A 15 -4.405 15.043 2.032 1.00 0.00 C
+ATOM 457 N9 A A 15 -4.226 13.579 2.097 1.00 0.00 N
+ATOM 458 C8 A A 15 -5.143 12.587 1.991 1.00 0.00 C
+ATOM 459 N7 A A 15 -4.724 11.371 2.084 1.00 0.00 N
+ATOM 460 C5 A A 15 -3.354 11.564 2.274 1.00 0.00 C
+ATOM 461 C6 A A 15 -2.288 10.678 2.449 1.00 0.00 C
+ATOM 462 N6 A A 15 -2.435 9.353 2.470 1.00 0.00 N
+ATOM 463 N1 A A 15 -1.068 11.211 2.607 1.00 0.00 N
+ATOM 464 C2 A A 15 -0.896 12.533 2.597 1.00 0.00 C
+ATOM 465 N3 A A 15 -1.830 13.461 2.439 1.00 0.00 N
+ATOM 466 C4 A A 15 -3.045 12.905 2.283 1.00 0.00 C
+ATOM 467 1H5* A A 15 -7.557 15.728 4.022 1.00 0.00 H
+ATOM 468 2H5* A A 15 -8.242 16.995 2.970 1.00 0.00 H
+ATOM 469 H4* A A 15 -5.932 17.472 3.113 1.00 0.00 H
+ATOM 470 H3* A A 15 -6.949 16.550 0.649 1.00 0.00 H
+ATOM 471 H1* A A 15 -3.430 15.527 2.055 1.00 0.00 H
+ATOM 472 H8 A A 15 -6.194 12.809 1.822 1.00 0.00 H
+ATOM 473 1H6 A A 15 -3.351 8.943 2.358 1.00 0.00 H
+ATOM 474 2H6 A A 15 -1.628 8.757 2.597 1.00 0.00 H
+ATOM 475 H2 A A 15 0.121 12.891 2.738 1.00 0.00 H
+ATOM 476 1H2* A A 15 -5.770 14.624 0.430 1.00 0.00 H
+ATOM 477 2H2* A A 15 -4.410 15.744 0.009 1.00 0.00 H
+ATOM 478 P T A 16 -5.024 18.197 -0.755 1.00 0.00 P
+ATOM 479 O1P T A 16 -5.035 19.672 -0.930 1.00 0.00 O
+ATOM 480 O2P T A 16 -5.891 17.356 -1.620 1.00 0.00 O
+ATOM 481 O5* T A 16 -3.508 17.673 -0.865 1.00 0.00 O
+ATOM 482 C5* T A 16 -2.548 18.035 0.136 1.00 0.00 C
+ATOM 483 C4* T A 16 -1.133 17.589 -0.208 1.00 0.00 C
+ATOM 484 O4* T A 16 -0.933 16.194 0.131 1.00 0.00 O
+ATOM 485 C3* T A 16 -0.841 17.751 -1.695 1.00 0.00 C
+ATOM 486 O3* T A 16 0.395 18.444 -1.907 1.00 0.00 O
+ATOM 487 C2* T A 16 -0.773 16.352 -2.227 1.00 0.00 C
+ATOM 488 C1* T A 16 -0.476 15.473 -1.034 1.00 0.00 C
+ATOM 489 N1 T A 16 -1.146 14.155 -1.132 1.00 0.00 N
+ATOM 490 C2 T A 16 -0.356 13.033 -0.971 1.00 0.00 C
+ATOM 491 O2 T A 16 0.855 13.107 -0.776 1.00 0.00 O
+ATOM 492 N3 T A 16 -1.007 11.815 -1.042 1.00 0.00 N
+ATOM 493 C4 T A 16 -2.357 11.623 -1.262 1.00 0.00 C
+ATOM 494 O4 T A 16 -2.827 10.487 -1.314 1.00 0.00 O
+ATOM 495 C5 T A 16 -3.106 12.849 -1.421 1.00 0.00 C
+ATOM 496 C5M T A 16 -4.610 12.784 -1.666 1.00 0.00 C
+ATOM 497 C6 T A 16 -2.495 14.050 -1.353 1.00 0.00 C
+ATOM 498 1H5* T A 16 -2.810 17.557 1.070 1.00 0.00 H
+ATOM 499 2H5* T A 16 -2.575 19.127 0.261 1.00 0.00 H
+ATOM 500 H4* T A 16 -0.425 18.192 0.360 1.00 0.00 H
+ATOM 501 H3* T A 16 -1.662 18.287 -2.174 1.00 0.00 H
+ATOM 502 1H2* T A 16 -1.734 16.076 -2.674 1.00 0.00 H
+ATOM 503 2H2* T A 16 0.047 16.275 -2.953 1.00 0.00 H
+ATOM 504 H1* T A 16 0.600 15.323 -0.962 1.00 0.00 H
+ATOM 505 H3 T A 16 -0.450 10.995 -0.913 1.00 0.00 H
+ATOM 506 1H5M T A 16 -5.029 13.789 -1.628 1.00 0.00 H
+ATOM 507 2H5M T A 16 -5.075 12.167 -0.906 1.00 0.00 H
+ATOM 508 3H5M T A 16 -4.801 12.349 -2.638 1.00 0.00 H
+ATOM 509 H6 T A 16 -3.089 14.952 -1.475 1.00 0.00 H
+ATOM 510 H3T T A 16 1.102 17.802 -1.812 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
+MODEL 9
+ATOM 1 O5* A A 1 6.177 1.423 0.719 1.00 0.00 O
+ATOM 2 C5* A A 1 7.519 1.782 0.358 1.00 0.00 C
+ATOM 3 C4* A A 1 7.873 3.198 0.785 1.00 0.00 C
+ATOM 4 O4* A A 1 7.050 4.169 0.086 1.00 0.00 O
+ATOM 5 C3* A A 1 7.635 3.391 2.276 1.00 0.00 C
+ATOM 6 O3* A A 1 8.727 4.081 2.892 1.00 0.00 O
+ATOM 7 C2* A A 1 6.389 4.207 2.358 1.00 0.00 C
+ATOM 8 C1* A A 1 6.298 4.946 1.048 1.00 0.00 C
+ATOM 9 N9 A A 1 4.894 5.118 0.632 1.00 0.00 N
+ATOM 10 C8 A A 1 3.906 4.198 0.502 1.00 0.00 C
+ATOM 11 N7 A A 1 2.748 4.621 0.113 1.00 0.00 N
+ATOM 12 C5 A A 1 2.982 5.992 -0.037 1.00 0.00 C
+ATOM 13 C6 A A 1 2.166 7.059 -0.433 1.00 0.00 C
+ATOM 14 N6 A A 1 0.882 6.913 -0.767 1.00 0.00 N
+ATOM 15 N1 A A 1 2.723 8.284 -0.469 1.00 0.00 N
+ATOM 16 C2 A A 1 4.004 8.455 -0.138 1.00 0.00 C
+ATOM 17 N3 A A 1 4.865 7.518 0.248 1.00 0.00 N
+ATOM 18 C4 A A 1 4.286 6.301 0.277 1.00 0.00 C
+ATOM 19 1H5* A A 1 7.624 1.743 -0.718 1.00 0.00 H
+ATOM 20 2H5* A A 1 8.210 1.065 0.823 1.00 0.00 H
+ATOM 21 H4* A A 1 8.922 3.391 0.558 1.00 0.00 H
+ATOM 22 H3* A A 1 7.477 2.423 2.758 1.00 0.00 H
+ATOM 23 H1* A A 1 6.763 5.926 1.158 1.00 0.00 H
+ATOM 24 H8 A A 1 4.080 3.146 0.722 1.00 0.00 H
+ATOM 25 1H6 A A 1 0.335 7.717 -1.046 1.00 0.00 H
+ATOM 26 2H6 A A 1 0.455 5.998 -0.741 1.00 0.00 H
+ATOM 27 H2 A A 1 4.387 9.474 -0.188 1.00 0.00 H
+ATOM 28 1H2* A A 1 5.520 3.549 2.476 1.00 0.00 H
+ATOM 29 2H2* A A 1 6.473 4.920 3.182 1.00 0.00 H
+ATOM 30 H5T A A 1 5.828 2.131 1.266 1.00 0.00 H
+ATOM 31 P T A 2 8.687 4.444 4.457 1.00 0.00 P
+ATOM 32 O1P T A 2 10.065 4.377 5.005 1.00 0.00 O
+ATOM 33 O2P T A 2 7.606 3.658 5.106 1.00 0.00 O
+ATOM 34 O5* T A 2 8.232 5.984 4.375 1.00 0.00 O
+ATOM 35 C5* T A 2 8.841 6.870 3.425 1.00 0.00 C
+ATOM 36 C4* T A 2 8.359 8.310 3.562 1.00 0.00 C
+ATOM 37 O4* T A 2 7.075 8.498 2.910 1.00 0.00 O
+ATOM 38 C3* T A 2 8.186 8.700 5.024 1.00 0.00 C
+ATOM 39 O3* T A 2 8.796 9.967 5.298 1.00 0.00 O
+ATOM 40 C2* T A 2 6.711 8.784 5.228 1.00 0.00 C
+ATOM 41 C1* T A 2 6.125 9.033 3.862 1.00 0.00 C
+ATOM 42 N1 T A 2 4.794 8.405 3.712 1.00 0.00 N
+ATOM 43 C2 T A 2 3.757 9.216 3.306 1.00 0.00 C
+ATOM 44 O2 T A 2 3.902 10.420 3.114 1.00 0.00 O
+ATOM 45 N3 T A 2 2.537 8.596 3.135 1.00 0.00 N
+ATOM 46 C4 T A 2 2.263 7.255 3.336 1.00 0.00 C
+ATOM 47 O4 T A 2 1.132 6.811 3.148 1.00 0.00 O
+ATOM 48 C5 T A 2 3.406 6.485 3.764 1.00 0.00 C
+ATOM 49 C5M T A 2 3.255 4.991 4.022 1.00 0.00 C
+ATOM 50 C6 T A 2 4.609 7.067 3.937 1.00 0.00 C
+ATOM 51 1H5* T A 2 8.588 6.549 2.424 1.00 0.00 H
+ATOM 52 2H5* T A 2 9.931 6.825 3.561 1.00 0.00 H
+ATOM 53 H4* T A 2 9.090 8.974 3.101 1.00 0.00 H
+ATOM 54 H3* T A 2 8.608 7.927 5.669 1.00 0.00 H
+ATOM 55 1H2* T A 2 6.336 7.838 5.635 1.00 0.00 H
+ATOM 56 2H2* T A 2 6.485 9.622 5.885 1.00 0.00 H
+ATOM 57 H1* T A 2 6.034 10.108 3.706 1.00 0.00 H
+ATOM 58 H3 T A 2 1.783 9.171 2.831 1.00 0.00 H
+ATOM 59 1H5M T A 2 4.239 4.542 4.159 1.00 0.00 H
+ATOM 60 2H5M T A 2 2.754 4.524 3.180 1.00 0.00 H
+ATOM 61 3H5M T A 2 2.663 4.835 4.914 1.00 0.00 H
+ATOM 62 H6 T A 2 5.449 6.459 4.263 1.00 0.00 H
+ATOM 63 P C A 3 8.700 10.616 6.765 1.00 0.00 P
+ATOM 64 O1P C A 3 9.979 11.306 7.072 1.00 0.00 O
+ATOM 65 O2P C A 3 8.183 9.592 7.710 1.00 0.00 O
+ATOM 66 O5* C A 3 7.555 11.721 6.512 1.00 0.00 O
+ATOM 67 C5* C A 3 7.750 12.769 5.549 1.00 0.00 C
+ATOM 68 C4* C A 3 6.599 13.769 5.512 1.00 0.00 C
+ATOM 69 O4* C A 3 5.383 13.154 5.012 1.00 0.00 O
+ATOM 70 C3* C A 3 6.297 14.319 6.901 1.00 0.00 C
+ATOM 71 O3* C A 3 6.221 15.750 6.901 1.00 0.00 O
+ATOM 72 C2* C A 3 4.978 13.719 7.272 1.00 0.00 C
+ATOM 73 C1* C A 3 4.316 13.331 5.972 1.00 0.00 C
+ATOM 74 N1 C A 3 3.526 12.089 6.124 1.00 0.00 N
+ATOM 75 C2 C A 3 2.179 12.137 5.808 1.00 0.00 C
+ATOM 76 O2 C A 3 1.665 13.193 5.446 1.00 0.00 O
+ATOM 77 N3 C A 3 1.454 10.993 5.915 1.00 0.00 N
+ATOM 78 C4 C A 3 2.021 9.845 6.313 1.00 0.00 C
+ATOM 79 N4 C A 3 1.279 8.736 6.404 1.00 0.00 N
+ATOM 80 C5 C A 3 3.411 9.794 6.640 1.00 0.00 C
+ATOM 81 C6 C A 3 4.118 10.934 6.536 1.00 0.00 C
+ATOM 82 1H5* C A 3 7.819 12.337 4.559 1.00 0.00 H
+ATOM 83 2H5* C A 3 8.689 13.289 5.790 1.00 0.00 H
+ATOM 84 H4* C A 3 6.869 14.596 4.856 1.00 0.00 H
+ATOM 85 H3* C A 3 7.063 13.983 7.603 1.00 0.00 H
+ATOM 86 H1* C A 3 3.665 14.140 5.644 1.00 0.00 H
+ATOM 87 1H4 C A 3 0.293 8.762 6.174 1.00 0.00 H
+ATOM 88 2H4 C A 3 1.702 7.869 6.702 1.00 0.00 H
+ATOM 89 H5 C A 3 3.886 8.860 6.944 1.00 0.00 H
+ATOM 90 H6 C A 3 5.169 10.944 6.808 1.00 0.00 H
+ATOM 91 1H2* C A 3 5.133 12.830 7.894 1.00 0.00 H
+ATOM 92 2H2* C A 3 4.369 14.470 7.783 1.00 0.00 H
+ATOM 93 P C A 4 6.044 16.548 8.285 1.00 0.00 P
+ATOM 94 O1P C A 4 6.625 17.907 8.139 1.00 0.00 O
+ATOM 95 O2P C A 4 6.502 15.680 9.399 1.00 0.00 O
+ATOM 96 O5* C A 4 4.443 16.670 8.344 1.00 0.00 O
+ATOM 97 C5* C A 4 3.704 17.084 7.188 1.00 0.00 C
+ATOM 98 C4* C A 4 2.220 17.278 7.473 1.00 0.00 C
+ATOM 99 O4* C A 4 1.491 16.035 7.299 1.00 0.00 O
+ATOM 100 C3* C A 4 1.981 17.754 8.902 1.00 0.00 C
+ATOM 101 O3* C A 4 1.120 18.898 8.936 1.00 0.00 O
+ATOM 102 C2* C A 4 1.340 16.591 9.591 1.00 0.00 C
+ATOM 103 C1* C A 4 0.736 15.748 8.495 1.00 0.00 C
+ATOM 104 N1 C A 4 0.767 14.304 8.825 1.00 0.00 N
+ATOM 105 C2 C A 4 -0.427 13.609 8.722 1.00 0.00 C
+ATOM 106 O2 C A 4 -1.454 14.189 8.379 1.00 0.00 O
+ATOM 107 N3 C A 4 -0.426 12.281 9.007 1.00 0.00 N
+ATOM 108 C4 C A 4 0.694 11.650 9.378 1.00 0.00 C
+ATOM 109 N4 C A 4 0.658 10.340 9.645 1.00 0.00 N
+ATOM 110 C5 C A 4 1.929 12.359 9.488 1.00 0.00 C
+ATOM 111 C6 C A 4 1.922 13.676 9.204 1.00 0.00 C
+ATOM 112 1H5* C A 4 3.778 16.320 6.426 1.00 0.00 H
+ATOM 113 2H5* C A 4 4.139 18.022 6.814 1.00 0.00 H
+ATOM 114 H4* C A 4 1.819 18.018 6.780 1.00 0.00 H
+ATOM 115 H3* C A 4 2.936 17.984 9.379 1.00 0.00 H
+ATOM 116 H1* C A 4 -0.296 16.060 8.342 1.00 0.00 H
+ATOM 117 1H4 C A 4 -0.209 9.827 9.572 1.00 0.00 H
+ATOM 118 2H4 C A 4 1.502 9.861 9.919 1.00 0.00 H
+ATOM 119 H5 C A 4 2.846 11.850 9.787 1.00 0.00 H
+ATOM 120 H6 C A 4 2.847 14.241 9.278 1.00 0.00 H
+ATOM 121 1H2* C A 4 2.097 16.020 10.137 1.00 0.00 H
+ATOM 122 2H2* C A 4 0.548 16.951 10.256 1.00 0.00 H
+ATOM 123 P T A 5 0.711 19.566 10.338 1.00 0.00 P
+ATOM 124 O1P T A 5 0.514 21.024 10.138 1.00 0.00 O
+ATOM 125 O2P T A 5 1.652 19.100 11.389 1.00 0.00 O
+ATOM 126 O5* T A 5 -0.721 18.875 10.578 1.00 0.00 O
+ATOM 127 C5* T A 5 -1.877 19.328 9.858 1.00 0.00 C
+ATOM 128 C4* T A 5 -3.146 18.578 10.249 1.00 0.00 C
+ATOM 129 O4* T A 5 -2.942 17.143 10.198 1.00 0.00 O
+ATOM 130 C3* T A 5 -3.587 18.930 11.666 1.00 0.00 C
+ATOM 131 O3* T A 5 -4.974 19.286 11.706 1.00 0.00 O
+ATOM 132 C2* T A 5 -3.327 17.690 12.467 1.00 0.00 C
+ATOM 133 C1* T A 5 -3.289 16.555 11.472 1.00 0.00 C
+ATOM 134 N1 T A 5 -2.311 15.515 11.861 1.00 0.00 N
+ATOM 135 C2 T A 5 -2.765 14.210 11.935 1.00 0.00 C
+ATOM 136 O2 T A 5 -3.939 13.911 11.726 1.00 0.00 O
+ATOM 137 N3 T A 5 -1.818 13.254 12.263 1.00 0.00 N
+ATOM 138 C4 T A 5 -0.484 13.482 12.519 1.00 0.00 C
+ATOM 139 O4 T A 5 0.264 12.542 12.785 1.00 0.00 O
+ATOM 140 C5 T A 5 -0.098 14.876 12.425 1.00 0.00 C
+ATOM 141 C5M T A 5 1.347 15.282 12.692 1.00 0.00 C
+ATOM 142 C6 T A 5 -1.000 15.828 12.107 1.00 0.00 C
+ATOM 143 1H5* T A 5 -1.730 19.158 8.800 1.00 0.00 H
+ATOM 144 2H5* T A 5 -2.004 20.404 10.045 1.00 0.00 H
+ATOM 145 H4* T A 5 -3.943 18.845 9.555 1.00 0.00 H
+ATOM 146 H3* T A 5 -2.975 19.750 12.050 1.00 0.00 H
+ATOM 147 1H2* T A 5 -2.366 17.774 12.985 1.00 0.00 H
+ATOM 148 2H2* T A 5 -4.152 17.531 13.172 1.00 0.00 H
+ATOM 149 H1* T A 5 -4.280 16.108 11.400 1.00 0.00 H
+ATOM 150 H3 T A 5 -2.128 12.303 12.318 1.00 0.00 H
+ATOM 151 1H5M T A 5 1.514 15.346 13.756 1.00 0.00 H
+ATOM 152 2H5M T A 5 1.541 16.253 12.240 1.00 0.00 H
+ATOM 153 3H5M T A 5 2.018 14.541 12.272 1.00 0.00 H
+ATOM 154 H6 T A 5 -0.676 16.866 12.043 1.00 0.00 H
+ATOM 155 P A A 6 -5.557 20.142 12.933 1.00 0.00 P
+ATOM 156 O1P A A 6 -6.599 21.068 12.420 1.00 0.00 O
+ATOM 157 O2P A A 6 -4.426 20.691 13.723 1.00 0.00 O
+ATOM 158 O5* A A 6 -6.268 18.977 13.779 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.594 18.541 13.446 1.00 0.00 C
+ATOM 160 C4* A A 6 -8.023 17.322 14.249 1.00 0.00 C
+ATOM 161 O4* A A 6 -7.090 16.225 14.059 1.00 0.00 O
+ATOM 162 C3* A A 6 -8.068 17.638 15.743 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.298 17.201 16.340 1.00 0.00 O
+ATOM 164 C2* A A 6 -6.906 16.893 16.315 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.623 15.774 15.346 1.00 0.00 C
+ATOM 166 N9 A A 6 -5.190 15.421 15.342 1.00 0.00 N
+ATOM 167 C8 A A 6 -4.090 16.215 15.415 1.00 0.00 C
+ATOM 168 N7 A A 6 -2.947 15.635 15.577 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.320 14.288 15.610 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.593 13.104 15.765 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.277 13.073 15.965 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.281 11.951 15.743 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.605 11.957 15.582 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.389 13.012 15.436 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.680 14.154 15.460 1.00 0.00 C
+ATOM 176 1H5* A A 6 -7.625 18.256 12.403 1.00 0.00 H
+ATOM 177 2H5* A A 6 -8.290 19.373 13.624 1.00 0.00 H
+ATOM 178 H4* A A 6 -9.013 17.007 13.921 1.00 0.00 H
+ATOM 179 H3* A A 6 -7.931 18.711 15.899 1.00 0.00 H
+ATOM 180 H1* A A 6 -7.202 14.898 15.643 1.00 0.00 H
+ATOM 181 H8 A A 6 -4.164 17.298 15.329 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.753 13.935 16.010 1.00 0.00 H
+ATOM 183 2H6 A A 6 -0.805 12.187 16.080 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.096 10.987 15.555 1.00 0.00 H
+ATOM 185 1H2* A A 6 -6.037 17.558 16.380 1.00 0.00 H
+ATOM 186 2H2* A A 6 -7.169 16.479 17.291 1.00 0.00 H
+ATOM 187 P G A 7 -9.937 18.005 17.580 1.00 0.00 P
+ATOM 188 O1P G A 7 -11.343 18.356 17.253 1.00 0.00 O
+ATOM 189 O2P G A 7 -9.000 19.084 17.988 1.00 0.00 O
+ATOM 190 O5* G A 7 -9.934 16.859 18.711 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.263 15.501 18.383 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.695 14.496 19.388 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.293 14.246 19.113 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.790 14.991 20.838 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.295 13.966 21.703 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.389 15.345 21.213 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.500 14.557 20.282 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.293 15.326 19.915 1.00 0.00 N
+ATOM 199 C8 G A 7 -6.161 16.633 19.570 1.00 0.00 C
+ATOM 200 N7 G A 7 -4.977 17.057 19.278 1.00 0.00 N
+ATOM 201 C5 G A 7 -4.211 15.900 19.442 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.816 15.703 19.268 1.00 0.00 C
+ATOM 203 O6 G A 7 -1.966 16.524 18.927 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.450 14.390 19.533 1.00 0.00 N
+ATOM 205 C2 G A 7 -3.315 13.386 19.918 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.775 12.185 20.109 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.631 13.561 20.087 1.00 0.00 N
+ATOM 208 C4 G A 7 -5.010 14.835 19.833 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.829 15.254 17.424 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.359 15.405 18.315 1.00 0.00 H
+ATOM 211 H4* G A 7 -10.240 13.559 19.297 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.419 15.882 20.902 1.00 0.00 H
+ATOM 213 H1* G A 7 -7.200 13.630 20.771 1.00 0.00 H
+ATOM 214 H8 G A 7 -7.021 17.301 19.530 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.469 14.174 19.432 1.00 0.00 H
+ATOM 216 1H2 G A 7 -3.359 11.410 20.381 1.00 0.00 H
+ATOM 217 2H2 G A 7 -1.782 12.051 19.981 1.00 0.00 H
+ATOM 218 1H2* G A 7 -8.230 16.420 21.076 1.00 0.00 H
+ATOM 219 2H2* G A 7 -8.200 15.039 22.247 1.00 0.00 H
+ATOM 220 P T A 8 -10.460 14.239 23.278 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.712 13.596 23.752 1.00 0.00 O
+ATOM 222 O2P T A 8 -10.242 15.684 23.541 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.206 13.411 23.845 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.313 12.002 24.090 1.00 0.00 C
+ATOM 225 C4* T A 8 -7.954 11.326 24.243 1.00 0.00 C
+ATOM 226 O4* T A 8 -6.946 12.014 23.458 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.480 11.324 25.695 1.00 0.00 C
+ATOM 228 O3* T A 8 -7.019 10.020 26.079 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.360 12.313 25.727 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.842 12.395 24.307 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.348 13.753 23.984 1.00 0.00 N
+ATOM 232 C2 T A 8 -4.062 13.854 23.485 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.353 12.866 23.297 1.00 0.00 O
+ATOM 234 N3 T A 8 -3.614 15.132 23.208 1.00 0.00 N
+ATOM 235 C4 T A 8 -4.329 16.303 23.387 1.00 0.00 C
+ATOM 236 O4 T A 8 -3.831 17.391 23.108 1.00 0.00 O
+ATOM 237 C5 T A 8 -5.659 16.103 23.912 1.00 0.00 C
+ATOM 238 C5M T A 8 -6.546 17.314 24.179 1.00 0.00 C
+ATOM 239 C6 T A 8 -6.124 14.866 24.187 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.799 11.532 23.245 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.921 11.850 24.991 1.00 0.00 H
+ATOM 242 H4* T A 8 -8.029 10.299 23.894 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.282 11.652 26.357 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.745 13.289 26.043 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.575 11.959 26.392 1.00 0.00 H
+ATOM 246 H1* T A 8 -5.027 11.672 24.175 1.00 0.00 H
+ATOM 247 H3 T A 8 -2.678 15.219 22.840 1.00 0.00 H
+ATOM 248 1H5M T A 8 -6.832 17.772 23.232 1.00 0.00 H
+ATOM 249 2H5M T A 8 -5.998 18.038 24.782 1.00 0.00 H
+ATOM 250 3H5M T A 8 -7.441 16.998 24.717 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.140 14.753 24.563 1.00 0.00 H
+ATOM 252 P T A 9 -6.644 9.694 27.609 1.00 0.00 P
+ATOM 253 O1P T A 9 -6.653 8.222 27.803 1.00 0.00 O
+ATOM 254 O2P T A 9 -7.472 10.547 28.500 1.00 0.00 O
+ATOM 255 O5* T A 9 -5.124 10.216 27.654 1.00 0.00 O
+ATOM 256 C5* T A 9 -4.066 9.467 27.034 1.00 0.00 C
+ATOM 257 C4* T A 9 -3.335 10.270 25.965 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.419 11.691 26.235 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.860 9.905 25.911 1.00 0.00 C
+ATOM 260 O3* T A 9 -1.438 9.709 24.560 1.00 0.00 O
+ATOM 261 C2* T A 9 -1.157 11.073 26.530 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.092 12.244 26.365 1.00 0.00 C
+ATOM 263 N1 T A 9 -2.014 13.164 27.517 1.00 0.00 N
+ATOM 264 C2 T A 9 -1.682 14.481 27.256 1.00 0.00 C
+ATOM 265 O2 T A 9 -1.439 14.881 26.121 1.00 0.00 O
+ATOM 266 N3 T A 9 -1.637 15.325 28.351 1.00 0.00 N
+ATOM 267 C4 T A 9 -1.893 14.970 29.664 1.00 0.00 C
+ATOM 268 O4 T A 9 -1.829 15.808 30.564 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.229 13.574 29.842 1.00 0.00 C
+ATOM 270 C5M T A 9 -2.532 13.045 31.240 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.278 12.731 28.789 1.00 0.00 C
+ATOM 272 1H5* T A 9 -4.479 8.596 26.542 1.00 0.00 H
+ATOM 273 2H5* T A 9 -3.364 9.150 27.817 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.786 10.065 24.995 1.00 0.00 H
+ATOM 275 H3* T A 9 -1.672 9.005 26.499 1.00 0.00 H
+ATOM 276 1H2* T A 9 -0.983 10.881 27.595 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.219 11.267 25.994 1.00 0.00 H
+ATOM 278 H1* T A 9 -1.837 12.783 25.452 1.00 0.00 H
+ATOM 279 H3 T A 9 -1.397 16.290 28.175 1.00 0.00 H
+ATOM 280 1H5M T A 9 -1.631 13.095 31.851 1.00 0.00 H
+ATOM 281 2H5M T A 9 -2.867 12.011 31.173 1.00 0.00 H
+ATOM 282 3H5M T A 9 -3.314 13.653 31.697 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.530 11.684 28.956 1.00 0.00 H
+ATOM 284 P A A 10 -0.532 8.447 24.179 1.00 0.00 P
+ATOM 285 O1P A A 10 0.266 8.052 25.367 1.00 0.00 O
+ATOM 286 O2P A A 10 0.169 8.724 22.899 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.669 7.340 23.928 1.00 0.00 O
+ATOM 288 C5* A A 10 -1.319 5.956 24.006 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.943 5.115 22.896 1.00 0.00 C
+ATOM 290 O4* A A 10 -3.165 5.725 22.415 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.979 5.015 21.724 1.00 0.00 C
+ATOM 292 O3* A A 10 -1.090 3.751 21.064 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.420 6.129 20.835 1.00 0.00 C
+ATOM 294 C1* A A 10 -2.898 6.309 21.133 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.356 7.710 21.125 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.661 8.840 21.363 1.00 0.00 C
+ATOM 297 N7 A A 10 -3.319 9.943 21.474 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.631 9.505 21.307 1.00 0.00 C
+ATOM 299 C6 A A 10 -5.859 10.173 21.309 1.00 0.00 C
+ATOM 300 N6 A A 10 -5.969 11.496 21.435 1.00 0.00 N
+ATOM 301 N1 A A 10 -6.966 9.433 21.118 1.00 0.00 N
+ATOM 302 C2 A A 10 -6.872 8.115 20.930 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.761 7.384 20.906 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.666 8.147 21.104 1.00 0.00 C
+ATOM 305 1H5* A A 10 -1.697 5.573 24.927 1.00 0.00 H
+ATOM 306 2H5* A A 10 -0.225 5.868 23.997 1.00 0.00 H
+ATOM 307 H4* A A 10 -2.160 4.117 23.274 1.00 0.00 H
+ATOM 308 H3* A A 10 0.049 5.187 22.052 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.459 5.770 20.382 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.607 8.801 21.568 1.00 0.00 H
+ATOM 311 1H6 A A 10 -6.881 11.929 21.432 1.00 0.00 H
+ATOM 312 2H6 A A 10 -5.140 12.068 21.524 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.809 7.580 20.778 1.00 0.00 H
+ATOM 314 1H2* A A 10 -0.860 7.029 21.078 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.286 5.838 19.784 1.00 0.00 H
+ATOM 316 P T A 11 -0.183 3.424 19.781 1.00 0.00 P
+ATOM 317 O1P T A 11 0.297 2.023 19.877 1.00 0.00 O
+ATOM 318 O2P T A 11 0.802 4.520 19.592 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.298 3.516 18.631 1.00 0.00 O
+ATOM 320 C5* T A 11 -2.557 2.855 18.804 1.00 0.00 C
+ATOM 321 C4* T A 11 -3.634 3.371 17.863 1.00 0.00 C
+ATOM 322 O4* T A 11 -3.734 4.818 17.905 1.00 0.00 O
+ATOM 323 C3* T A 11 -3.344 2.972 16.421 1.00 0.00 C
+ATOM 324 O3* T A 11 -4.462 2.302 15.834 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.061 4.259 15.713 1.00 0.00 C
+ATOM 326 C1* T A 11 -3.688 5.340 16.558 1.00 0.00 C
+ATOM 327 N1 T A 11 -2.925 6.608 16.488 1.00 0.00 N
+ATOM 328 C2 T A 11 -3.617 7.740 16.105 1.00 0.00 C
+ATOM 329 O2 T A 11 -4.813 7.711 15.824 1.00 0.00 O
+ATOM 330 N3 T A 11 -2.890 8.913 16.063 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.549 9.054 16.373 1.00 0.00 C
+ATOM 332 O4 T A 11 -1.004 10.155 16.318 1.00 0.00 O
+ATOM 333 C5 T A 11 -0.907 7.819 16.763 1.00 0.00 C
+ATOM 334 C5M T A 11 0.568 7.831 17.150 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.593 6.658 16.806 1.00 0.00 C
+ATOM 336 1H5* T A 11 -2.915 3.025 19.810 1.00 0.00 H
+ATOM 337 2H5* T A 11 -2.406 1.777 18.644 1.00 0.00 H
+ATOM 338 H4* T A 11 -4.592 2.946 18.159 1.00 0.00 H
+ATOM 339 H3* T A 11 -2.461 2.332 16.383 1.00 0.00 H
+ATOM 340 1H2* T A 11 -1.978 4.416 15.641 1.00 0.00 H
+ATOM 341 2H2* T A 11 -3.534 4.243 14.728 1.00 0.00 H
+ATOM 342 H1* T A 11 -4.706 5.514 16.211 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.378 9.736 15.760 1.00 0.00 H
+ATOM 344 1H5M T A 11 1.008 6.857 16.941 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.658 8.047 18.206 1.00 0.00 H
+ATOM 346 3H5M T A 11 1.089 8.600 16.582 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.076 5.742 17.089 1.00 0.00 H
+ATOM 348 P A A 12 -4.400 1.798 14.310 1.00 0.00 P
+ATOM 349 O1P A A 12 -5.059 0.469 14.215 1.00 0.00 O
+ATOM 350 O2P A A 12 -3.015 1.961 13.805 1.00 0.00 O
+ATOM 351 O5* A A 12 -5.342 2.896 13.618 1.00 0.00 O
+ATOM 352 C5* A A 12 -6.601 3.236 14.210 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.255 4.442 13.555 1.00 0.00 C
+ATOM 354 O4* A A 12 -6.496 5.657 13.792 1.00 0.00 O
+ATOM 355 C3* A A 12 -7.367 4.257 12.047 1.00 0.00 C
+ATOM 356 O3* A A 12 -8.708 4.503 11.605 1.00 0.00 O
+ATOM 357 C2* A A 12 -6.410 5.256 11.468 1.00 0.00 C
+ATOM 358 C1* A A 12 -6.217 6.306 12.532 1.00 0.00 C
+ATOM 359 N9 A A 12 -4.851 6.884 12.514 1.00 0.00 N
+ATOM 360 C8 A A 12 -3.647 6.294 12.723 1.00 0.00 C
+ATOM 361 N7 A A 12 -2.602 7.057 12.755 1.00 0.00 N
+ATOM 362 C5 A A 12 -3.165 8.317 12.535 1.00 0.00 C
+ATOM 363 C6 A A 12 -2.616 9.605 12.445 1.00 0.00 C
+ATOM 364 N6 A A 12 -1.315 9.872 12.604 1.00 0.00 N
+ATOM 365 N1 A A 12 -3.465 10.617 12.212 1.00 0.00 N
+ATOM 366 C2 A A 12 -4.768 10.394 12.079 1.00 0.00 C
+ATOM 367 N3 A A 12 -5.396 9.226 12.151 1.00 0.00 N
+ATOM 368 C4 A A 12 -4.531 8.219 12.381 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.451 3.486 15.251 1.00 0.00 H
+ATOM 370 2H5* A A 12 -7.264 2.363 14.134 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.255 4.567 13.968 1.00 0.00 H
+ATOM 372 H3* A A 12 -7.057 3.248 11.773 1.00 0.00 H
+ATOM 373 H1* A A 12 -6.943 7.104 12.377 1.00 0.00 H
+ATOM 374 H8 A A 12 -3.559 5.217 12.840 1.00 0.00 H
+ATOM 375 1H6 A A 12 -0.978 10.826 12.527 1.00 0.00 H
+ATOM 376 2H6 A A 12 -0.668 9.123 12.803 1.00 0.00 H
+ATOM 377 H2 A A 12 -5.383 11.268 11.880 1.00 0.00 H
+ATOM 378 1H2* A A 12 -5.452 4.770 11.243 1.00 0.00 H
+ATOM 379 2H2* A A 12 -6.853 5.712 10.578 1.00 0.00 H
+ATOM 380 P G A 13 -9.124 4.267 10.072 1.00 0.00 P
+ATOM 381 O1P G A 13 -10.585 4.007 10.005 1.00 0.00 O
+ATOM 382 O2P G A 13 -8.183 3.296 9.459 1.00 0.00 O
+ATOM 383 O5* G A 13 -8.831 5.726 9.477 1.00 0.00 O
+ATOM 384 C5* G A 13 -9.643 6.841 9.866 1.00 0.00 C
+ATOM 385 C4* G A 13 -9.397 8.062 8.996 1.00 0.00 C
+ATOM 386 O4* G A 13 -8.095 8.634 9.275 1.00 0.00 O
+ATOM 387 C3* G A 13 -9.423 7.688 7.521 1.00 0.00 C
+ATOM 388 O3* G A 13 -10.171 8.644 6.764 1.00 0.00 O
+ATOM 389 C2* G A 13 -7.989 7.689 7.107 1.00 0.00 C
+ATOM 390 C1* G A 13 -7.286 8.604 8.078 1.00 0.00 C
+ATOM 391 N9 G A 13 -5.914 8.145 8.377 1.00 0.00 N
+ATOM 392 C8 G A 13 -5.442 6.900 8.649 1.00 0.00 C
+ATOM 393 N7 G A 13 -4.187 6.784 8.934 1.00 0.00 N
+ATOM 394 C5 G A 13 -3.753 8.109 8.840 1.00 0.00 C
+ATOM 395 C6 G A 13 -2.460 8.661 9.039 1.00 0.00 C
+ATOM 396 O6 G A 13 -1.417 8.090 9.355 1.00 0.00 O
+ATOM 397 N1 G A 13 -2.463 10.030 8.844 1.00 0.00 N
+ATOM 398 C2 G A 13 -3.559 10.787 8.500 1.00 0.00 C
+ATOM 399 N2 G A 13 -3.348 12.092 8.347 1.00 0.00 N
+ATOM 400 N3 G A 13 -4.777 10.282 8.313 1.00 0.00 N
+ATOM 401 C4 G A 13 -4.805 8.944 8.498 1.00 0.00 C
+ATOM 402 1H5* G A 13 -9.402 7.125 10.882 1.00 0.00 H
+ATOM 403 2H5* G A 13 -10.700 6.542 9.806 1.00 0.00 H
+ATOM 404 H4* G A 13 -10.165 8.808 9.194 1.00 0.00 H
+ATOM 405 H3* G A 13 -9.846 6.689 7.396 1.00 0.00 H
+ATOM 406 H1* G A 13 -7.241 9.608 7.653 1.00 0.00 H
+ATOM 407 H8 G A 13 -6.092 6.028 8.610 1.00 0.00 H
+ATOM 408 H1 G A 13 -1.588 10.486 8.977 1.00 0.00 H
+ATOM 409 1H2 G A 13 -4.111 12.699 8.092 1.00 0.00 H
+ATOM 410 2H2 G A 13 -2.422 12.472 8.479 1.00 0.00 H
+ATOM 411 1H2* G A 13 -7.580 6.676 7.180 1.00 0.00 H
+ATOM 412 2H2* G A 13 -7.902 8.089 6.093 1.00 0.00 H
+ATOM 413 P G A 14 -10.313 8.488 5.174 1.00 0.00 P
+ATOM 414 O1P G A 14 -11.719 8.768 4.787 1.00 0.00 O
+ATOM 415 O2P G A 14 -9.683 7.210 4.756 1.00 0.00 O
+ATOM 416 O5* G A 14 -9.386 9.707 4.690 1.00 0.00 O
+ATOM 417 C5* G A 14 -9.523 11.005 5.288 1.00 0.00 C
+ATOM 418 C4* G A 14 -8.534 12.014 4.726 1.00 0.00 C
+ATOM 419 O4* G A 14 -7.211 11.812 5.287 1.00 0.00 O
+ATOM 420 C3* G A 14 -8.418 11.880 3.214 1.00 0.00 C
+ATOM 421 O3* G A 14 -8.499 13.161 2.577 1.00 0.00 O
+ATOM 422 C2* G A 14 -7.078 11.250 2.993 1.00 0.00 C
+ATOM 423 C1* G A 14 -6.264 11.571 4.222 1.00 0.00 C
+ATOM 424 N9 G A 14 -5.349 10.466 4.564 1.00 0.00 N
+ATOM 425 C8 G A 14 -5.603 9.143 4.706 1.00 0.00 C
+ATOM 426 N7 G A 14 -4.620 8.376 5.039 1.00 0.00 N
+ATOM 427 C5 G A 14 -3.569 9.291 5.135 1.00 0.00 C
+ATOM 428 C6 G A 14 -2.205 9.083 5.466 1.00 0.00 C
+ATOM 429 O6 G A 14 -1.637 8.033 5.761 1.00 0.00 O
+ATOM 430 N1 G A 14 -1.492 10.267 5.440 1.00 0.00 N
+ATOM 431 C2 G A 14 -2.012 11.506 5.140 1.00 0.00 C
+ATOM 432 N2 G A 14 -1.159 12.525 5.186 1.00 0.00 N
+ATOM 433 N3 G A 14 -3.291 11.716 4.829 1.00 0.00 N
+ATOM 434 C4 G A 14 -4.011 10.574 4.844 1.00 0.00 C
+ATOM 435 1H5* G A 14 -9.331 10.934 6.350 1.00 0.00 H
+ATOM 436 2H5* G A 14 -10.552 11.355 5.122 1.00 0.00 H
+ATOM 437 H4* G A 14 -8.871 13.022 4.972 1.00 0.00 H
+ATOM 438 H3* G A 14 -9.203 11.218 2.839 1.00 0.00 H
+ATOM 439 H1* G A 14 -5.685 12.478 4.043 1.00 0.00 H
+ATOM 440 H8 G A 14 -6.597 8.739 4.526 1.00 0.00 H
+ATOM 441 H1 G A 14 -0.520 10.193 5.657 1.00 0.00 H
+ATOM 442 1H2 G A 14 -1.480 13.459 4.986 1.00 0.00 H
+ATOM 443 2H2 G A 14 -0.191 12.360 5.415 1.00 0.00 H
+ATOM 444 1H2* G A 14 -7.191 10.163 2.895 1.00 0.00 H
+ATOM 445 2H2* G A 14 -6.606 11.691 2.107 1.00 0.00 H
+ATOM 446 P A A 15 -8.514 13.282 0.977 1.00 0.00 P
+ATOM 447 O1P A A 15 -9.410 14.400 0.586 1.00 0.00 O
+ATOM 448 O2P A A 15 -8.738 11.934 0.394 1.00 0.00 O
+ATOM 449 O5* A A 15 -6.992 13.719 0.711 1.00 0.00 O
+ATOM 450 C5* A A 15 -6.406 14.804 1.444 1.00 0.00 C
+ATOM 451 C4* A A 15 -4.976 15.094 1.012 1.00 0.00 C
+ATOM 452 O4* A A 15 -4.048 14.180 1.654 1.00 0.00 O
+ATOM 453 C3* A A 15 -4.813 14.924 -0.495 1.00 0.00 C
+ATOM 454 O3* A A 15 -4.095 16.022 -1.069 1.00 0.00 O
+ATOM 455 C2* A A 15 -4.046 13.653 -0.654 1.00 0.00 C
+ATOM 456 C1* A A 15 -3.307 13.456 0.646 1.00 0.00 C
+ATOM 457 N9 A A 15 -3.189 12.024 0.986 1.00 0.00 N
+ATOM 458 C8 A A 15 -4.104 11.024 0.895 1.00 0.00 C
+ATOM 459 N7 A A 15 -3.721 9.836 1.220 1.00 0.00 N
+ATOM 460 C5 A A 15 -2.390 10.059 1.577 1.00 0.00 C
+ATOM 461 C6 A A 15 -1.377 9.214 2.031 1.00 0.00 C
+ATOM 462 N6 A A 15 -1.538 7.903 2.201 1.00 0.00 N
+ATOM 463 N1 A A 15 -0.187 9.767 2.293 1.00 0.00 N
+ATOM 464 C2 A A 15 0.009 11.074 2.122 1.00 0.00 C
+ATOM 465 N3 A A 15 -0.874 11.965 1.694 1.00 0.00 N
+ATOM 466 C4 A A 15 -2.062 11.388 1.438 1.00 0.00 C
+ATOM 467 1H5* A A 15 -6.370 14.549 2.494 1.00 0.00 H
+ATOM 468 2H5* A A 15 -7.030 15.699 1.303 1.00 0.00 H
+ATOM 469 H4* A A 15 -4.717 16.115 1.288 1.00 0.00 H
+ATOM 470 H3* A A 15 -5.794 14.825 -0.964 1.00 0.00 H
+ATOM 471 H1* A A 15 -2.309 13.887 0.557 1.00 0.00 H
+ATOM 472 H8 A A 15 -5.126 11.219 0.575 1.00 0.00 H
+ATOM 473 1H6 A A 15 -2.429 7.473 2.002 1.00 0.00 H
+ATOM 474 2H6 A A 15 -0.763 7.338 2.525 1.00 0.00 H
+ATOM 475 H2 A A 15 0.997 11.454 2.378 1.00 0.00 H
+ATOM 476 1H2* A A 15 -4.739 12.821 -0.821 1.00 0.00 H
+ATOM 477 2H2* A A 15 -3.329 13.753 -1.477 1.00 0.00 H
+ATOM 478 P T A 16 -3.761 16.043 -2.640 1.00 0.00 P
+ATOM 479 O1P T A 16 -3.931 17.427 -3.151 1.00 0.00 O
+ATOM 480 O2P T A 16 -4.486 14.929 -3.304 1.00 0.00 O
+ATOM 481 O5* T A 16 -2.192 15.693 -2.595 1.00 0.00 O
+ATOM 482 C5* T A 16 -1.288 16.537 -1.868 1.00 0.00 C
+ATOM 483 C4* T A 16 0.138 15.999 -1.832 1.00 0.00 C
+ATOM 484 O4* T A 16 0.206 14.715 -1.158 1.00 0.00 O
+ATOM 485 C3* T A 16 0.693 15.810 -3.239 1.00 0.00 C
+ATOM 486 O3* T A 16 1.961 16.461 -3.388 1.00 0.00 O
+ATOM 487 C2* T A 16 0.823 14.327 -3.404 1.00 0.00 C
+ATOM 488 C1* T A 16 0.877 13.759 -2.008 1.00 0.00 C
+ATOM 489 N1 T A 16 0.234 12.427 -1.939 1.00 0.00 N
+ATOM 490 C2 T A 16 1.001 11.375 -1.471 1.00 0.00 C
+ATOM 491 O2 T A 16 2.172 11.520 -1.126 1.00 0.00 O
+ATOM 492 N3 T A 16 0.377 10.141 -1.422 1.00 0.00 N
+ATOM 493 C4 T A 16 -0.924 9.870 -1.799 1.00 0.00 C
+ATOM 494 O4 T A 16 -1.370 8.727 -1.723 1.00 0.00 O
+ATOM 495 C5 T A 16 -1.651 11.026 -2.274 1.00 0.00 C
+ATOM 496 C5M T A 16 -3.102 10.863 -2.717 1.00 0.00 C
+ATOM 497 C6 T A 16 -1.067 12.242 -2.330 1.00 0.00 C
+ATOM 498 1H5* T A 16 -1.619 16.612 -0.841 1.00 0.00 H
+ATOM 499 2H5* T A 16 -1.298 17.534 -2.331 1.00 0.00 H
+ATOM 500 H4* T A 16 0.768 16.709 -1.298 1.00 0.00 H
+ATOM 501 H3* T A 16 -0.019 16.200 -3.971 1.00 0.00 H
+ATOM 502 1H2* T A 16 -0.053 13.935 -3.934 1.00 0.00 H
+ATOM 503 2H2* T A 16 1.755 14.095 -3.936 1.00 0.00 H
+ATOM 504 H1* T A 16 1.918 13.674 -1.696 1.00 0.00 H
+ATOM 505 H3 T A 16 0.913 9.371 -1.070 1.00 0.00 H
+ATOM 506 1H5M T A 16 -3.467 11.802 -3.132 1.00 0.00 H
+ATOM 507 2H5M T A 16 -3.710 10.586 -1.868 1.00 0.00 H
+ATOM 508 3H5M T A 16 -3.168 10.082 -3.465 1.00 0.00 H
+ATOM 509 H6 T A 16 -1.642 13.094 -2.692 1.00 0.00 H
+ATOM 510 H3T T A 16 2.489 15.925 -3.984 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
+MODEL 10
+ATOM 1 O5* A A 1 7.148 3.900 -0.571 1.00 0.00 O
+ATOM 2 C5* A A 1 8.508 4.202 -0.912 1.00 0.00 C
+ATOM 3 C4* A A 1 8.950 5.556 -0.379 1.00 0.00 C
+ATOM 4 O4* A A 1 8.127 6.616 -0.930 1.00 0.00 O
+ATOM 5 C3* A A 1 8.819 5.611 1.139 1.00 0.00 C
+ATOM 6 O3* A A 1 9.994 6.161 1.750 1.00 0.00 O
+ATOM 7 C2* A A 1 7.634 6.488 1.379 1.00 0.00 C
+ATOM 8 C1* A A 1 7.488 7.340 0.144 1.00 0.00 C
+ATOM 9 N9 A A 1 6.068 7.601 -0.151 1.00 0.00 N
+ATOM 10 C8 A A 1 5.094 6.751 -0.564 1.00 0.00 C
+ATOM 11 N7 A A 1 3.915 7.243 -0.752 1.00 0.00 N
+ATOM 12 C5 A A 1 4.117 8.588 -0.429 1.00 0.00 C
+ATOM 13 C6 A A 1 3.266 9.698 -0.413 1.00 0.00 C
+ATOM 14 N6 A A 1 1.975 9.631 -0.741 1.00 0.00 N
+ATOM 15 N1 A A 1 3.796 10.878 -0.044 1.00 0.00 N
+ATOM 16 C2 A A 1 5.084 10.966 0.291 1.00 0.00 C
+ATOM 17 N3 A A 1 5.976 9.983 0.310 1.00 0.00 N
+ATOM 18 C4 A A 1 5.424 8.812 -0.062 1.00 0.00 C
+ATOM 19 1H5* A A 1 8.609 4.240 -1.986 1.00 0.00 H
+ATOM 20 2H5* A A 1 9.154 3.409 -0.507 1.00 0.00 H
+ATOM 21 H4* A A 1 9.988 5.731 -0.657 1.00 0.00 H
+ATOM 22 H3* A A 1 8.621 4.610 1.530 1.00 0.00 H
+ATOM 23 H1* A A 1 8.003 8.288 0.295 1.00 0.00 H
+ATOM 24 H8 A A 1 5.298 5.694 -0.728 1.00 0.00 H
+ATOM 25 1H6 A A 1 1.570 8.749 -1.017 1.00 0.00 H
+ATOM 26 2H6 A A 1 1.402 10.462 -0.713 1.00 0.00 H
+ATOM 27 H2 A A 1 5.445 11.954 0.578 1.00 0.00 H
+ATOM 28 1H2* A A 1 6.737 5.871 1.515 1.00 0.00 H
+ATOM 29 2H2* A A 1 7.822 7.125 2.245 1.00 0.00 H
+ATOM 30 H5T A A 1 6.616 4.057 -1.355 1.00 0.00 H
+ATOM 31 P T A 2 10.105 6.270 3.352 1.00 0.00 P
+ATOM 32 O1P T A 2 11.541 6.287 3.735 1.00 0.00 O
+ATOM 33 O2P T A 2 9.205 5.261 3.968 1.00 0.00 O
+ATOM 34 O5* T A 2 9.486 7.734 3.586 1.00 0.00 O
+ATOM 35 C5* T A 2 9.902 8.837 2.770 1.00 0.00 C
+ATOM 36 C4* T A 2 9.320 10.168 3.230 1.00 0.00 C
+ATOM 37 O4* T A 2 7.968 10.358 2.732 1.00 0.00 O
+ATOM 38 C3* T A 2 9.261 10.252 4.750 1.00 0.00 C
+ATOM 39 O3* T A 2 9.845 11.476 5.215 1.00 0.00 O
+ATOM 40 C2* T A 2 7.801 10.201 5.081 1.00 0.00 C
+ATOM 41 C1* T A 2 7.089 10.667 3.839 1.00 0.00 C
+ATOM 42 N1 T A 2 5.766 10.023 3.683 1.00 0.00 N
+ATOM 43 C2 T A 2 4.666 10.851 3.613 1.00 0.00 C
+ATOM 44 O2 T A 2 4.755 12.070 3.734 1.00 0.00 O
+ATOM 45 N3 T A 2 3.454 10.227 3.412 1.00 0.00 N
+ATOM 46 C4 T A 2 3.244 8.868 3.274 1.00 0.00 C
+ATOM 47 O4 T A 2 2.111 8.423 3.086 1.00 0.00 O
+ATOM 48 C5 T A 2 4.452 8.080 3.368 1.00 0.00 C
+ATOM 49 C5M T A 2 4.380 6.565 3.213 1.00 0.00 C
+ATOM 50 C6 T A 2 5.647 8.667 3.569 1.00 0.00 C
+ATOM 51 1H5* T A 2 9.565 8.680 1.756 1.00 0.00 H
+ATOM 52 2H5* T A 2 11.001 8.883 2.789 1.00 0.00 H
+ATOM 53 H4* T A 2 9.947 10.976 2.855 1.00 0.00 H
+ATOM 54 H3* T A 2 9.773 9.393 5.191 1.00 0.00 H
+ATOM 55 1H2* T A 2 7.508 9.170 5.314 1.00 0.00 H
+ATOM 56 2H2* T A 2 7.588 10.883 5.911 1.00 0.00 H
+ATOM 57 H1* T A 2 6.956 11.747 3.890 1.00 0.00 H
+ATOM 58 H3 T A 2 2.650 10.814 3.361 1.00 0.00 H
+ATOM 59 1H5M T A 2 4.468 6.303 2.166 1.00 0.00 H
+ATOM 60 2H5M T A 2 3.427 6.204 3.591 1.00 0.00 H
+ATOM 61 3H5M T A 2 5.195 6.105 3.767 1.00 0.00 H
+ATOM 62 H6 T A 2 6.532 8.047 3.676 1.00 0.00 H
+ATOM 63 P C A 3 9.885 11.825 6.783 1.00 0.00 P
+ATOM 64 O1P C A 3 11.072 12.675 7.056 1.00 0.00 O
+ATOM 65 O2P C A 3 9.689 10.577 7.561 1.00 0.00 O
+ATOM 66 O5* C A 3 8.561 12.728 6.903 1.00 0.00 O
+ATOM 67 C5* C A 3 8.282 13.743 5.928 1.00 0.00 C
+ATOM 68 C4* C A 3 7.117 14.638 6.324 1.00 0.00 C
+ATOM 69 O4* C A 3 5.850 14.079 5.888 1.00 0.00 O
+ATOM 70 C3* C A 3 7.040 14.811 7.834 1.00 0.00 C
+ATOM 71 O3* C A 3 6.898 16.191 8.182 1.00 0.00 O
+ATOM 72 C2* C A 3 5.833 14.037 8.251 1.00 0.00 C
+ATOM 73 C1* C A 3 4.963 13.951 7.023 1.00 0.00 C
+ATOM 74 N1 C A 3 4.199 12.682 6.975 1.00 0.00 N
+ATOM 75 C2 C A 3 2.826 12.774 6.826 1.00 0.00 C
+ATOM 76 O2 C A 3 2.277 13.873 6.776 1.00 0.00 O
+ATOM 77 N3 C A 3 2.113 11.625 6.739 1.00 0.00 N
+ATOM 78 C4 C A 3 2.709 10.430 6.793 1.00 0.00 C
+ATOM 79 N4 C A 3 1.968 9.326 6.689 1.00 0.00 N
+ATOM 80 C5 C A 3 4.125 10.325 6.949 1.00 0.00 C
+ATOM 81 C6 C A 3 4.827 11.470 7.037 1.00 0.00 C
+ATOM 82 1H5* C A 3 8.013 13.276 4.993 1.00 0.00 H
+ATOM 83 2H5* C A 3 9.189 14.348 5.787 1.00 0.00 H
+ATOM 84 H4* C A 3 7.248 15.616 5.860 1.00 0.00 H
+ATOM 85 H3* C A 3 7.932 14.392 8.302 1.00 0.00 H
+ATOM 86 H1* C A 3 4.268 14.791 7.025 1.00 0.00 H
+ATOM 87 1H4 C A 3 2.407 8.418 6.721 1.00 0.00 H
+ATOM 88 2H4 C A 3 0.965 9.400 6.579 1.00 0.00 H
+ATOM 89 H5 C A 3 4.621 9.355 6.983 1.00 0.00 H
+ATOM 90 H6 C A 3 5.905 11.427 7.170 1.00 0.00 H
+ATOM 91 1H2* C A 3 6.129 13.034 8.577 1.00 0.00 H
+ATOM 92 2H2* C A 3 5.307 14.580 9.042 1.00 0.00 H
+ATOM 93 P C A 4 6.729 16.634 9.714 1.00 0.00 P
+ATOM 94 O1P C A 4 7.418 17.935 9.919 1.00 0.00 O
+ATOM 95 O2P C A 4 7.068 15.485 10.588 1.00 0.00 O
+ATOM 96 O5* C A 4 5.138 16.871 9.754 1.00 0.00 O
+ATOM 97 C5* C A 4 4.492 17.585 8.687 1.00 0.00 C
+ATOM 98 C4* C A 4 3.010 17.829 8.943 1.00 0.00 C
+ATOM 99 O4* C A 4 2.206 16.688 8.537 1.00 0.00 O
+ATOM 100 C3* C A 4 2.737 18.074 10.421 1.00 0.00 C
+ATOM 101 O3* C A 4 1.936 19.244 10.611 1.00 0.00 O
+ATOM 102 C2* C A 4 2.005 16.857 10.882 1.00 0.00 C
+ATOM 103 C1* C A 4 1.388 16.253 9.648 1.00 0.00 C
+ATOM 104 N1 C A 4 1.330 14.777 9.744 1.00 0.00 N
+ATOM 105 C2 C A 4 0.088 14.173 9.635 1.00 0.00 C
+ATOM 106 O2 C A 4 -0.922 14.853 9.461 1.00 0.00 O
+ATOM 107 N3 C A 4 0.022 12.820 9.725 1.00 0.00 N
+ATOM 108 C4 C A 4 1.123 12.083 9.914 1.00 0.00 C
+ATOM 109 N4 C A 4 1.017 10.755 10.002 1.00 0.00 N
+ATOM 110 C5 C A 4 2.406 12.700 10.027 1.00 0.00 C
+ATOM 111 C6 C A 4 2.462 14.043 9.938 1.00 0.00 C
+ATOM 112 1H5* C A 4 4.561 17.006 7.776 1.00 0.00 H
+ATOM 113 2H5* C A 4 5.010 18.546 8.552 1.00 0.00 H
+ATOM 114 H4* C A 4 2.692 18.703 8.376 1.00 0.00 H
+ATOM 115 H3* C A 4 3.680 18.168 10.963 1.00 0.00 H
+ATOM 116 H1* C A 4 0.380 16.647 9.524 1.00 0.00 H
+ATOM 117 1H4 C A 4 1.841 10.191 10.144 1.00 0.00 H
+ATOM 118 2H4 C A 4 0.111 10.315 9.934 1.00 0.00 H
+ATOM 119 H5 C A 4 3.309 12.105 10.170 1.00 0.00 H
+ATOM 120 H6 C A 4 3.418 14.549 10.038 1.00 0.00 H
+ATOM 121 1H2* C A 4 2.708 16.149 11.336 1.00 0.00 H
+ATOM 122 2H2* C A 4 1.220 17.151 11.580 1.00 0.00 H
+ATOM 123 P T A 5 1.483 19.686 12.088 1.00 0.00 P
+ATOM 124 O1P T A 5 1.426 21.168 12.150 1.00 0.00 O
+ATOM 125 O2P T A 5 2.300 18.948 13.084 1.00 0.00 O
+ATOM 126 O5* T A 5 -0.016 19.103 12.108 1.00 0.00 O
+ATOM 127 C5* T A 5 -0.925 19.408 11.040 1.00 0.00 C
+ATOM 128 C4* T A 5 -2.290 18.752 11.216 1.00 0.00 C
+ATOM 129 O4* T A 5 -2.199 17.310 11.097 1.00 0.00 O
+ATOM 130 C3* T A 5 -2.881 19.063 12.586 1.00 0.00 C
+ATOM 131 O3* T A 5 -4.236 19.515 12.472 1.00 0.00 O
+ATOM 132 C2* T A 5 -2.803 17.768 13.338 1.00 0.00 C
+ATOM 133 C1* T A 5 -2.724 16.684 12.291 1.00 0.00 C
+ATOM 134 N1 T A 5 -1.856 15.561 12.713 1.00 0.00 N
+ATOM 135 C2 T A 5 -2.395 14.288 12.674 1.00 0.00 C
+ATOM 136 O2 T A 5 -3.576 14.086 12.402 1.00 0.00 O
+ATOM 137 N3 T A 5 -1.529 13.250 12.976 1.00 0.00 N
+ATOM 138 C4 T A 5 -0.196 13.373 13.313 1.00 0.00 C
+ATOM 139 O4 T A 5 0.479 12.373 13.554 1.00 0.00 O
+ATOM 140 C5 T A 5 0.279 14.738 13.336 1.00 0.00 C
+ATOM 141 C5M T A 5 1.743 15.017 13.659 1.00 0.00 C
+ATOM 142 C6 T A 5 -0.545 15.768 13.049 1.00 0.00 C
+ATOM 143 1H5* T A 5 -0.517 19.038 10.109 1.00 0.00 H
+ATOM 144 2H5* T A 5 -1.037 20.500 10.984 1.00 0.00 H
+ATOM 145 H4* T A 5 -2.964 19.126 10.445 1.00 0.00 H
+ATOM 146 H3* T A 5 -2.271 19.818 13.087 1.00 0.00 H
+ATOM 147 1H2* T A 5 -1.902 17.755 13.963 1.00 0.00 H
+ATOM 148 2H2* T A 5 -3.712 17.637 13.936 1.00 0.00 H
+ATOM 149 H1* T A 5 -3.727 16.307 12.089 1.00 0.00 H
+ATOM 150 H3 T A 5 -1.898 12.318 12.935 1.00 0.00 H
+ATOM 151 1H5M T A 5 2.372 14.573 12.897 1.00 0.00 H
+ATOM 152 2H5M T A 5 1.994 14.582 14.618 1.00 0.00 H
+ATOM 153 3H5M T A 5 1.911 16.093 13.689 1.00 0.00 H
+ATOM 154 H6 T A 5 -0.165 16.785 13.107 1.00 0.00 H
+ATOM 155 P A A 6 -4.967 20.220 13.716 1.00 0.00 P
+ATOM 156 O1P A A 6 -5.976 21.182 13.202 1.00 0.00 O
+ATOM 157 O2P A A 6 -3.939 20.692 14.677 1.00 0.00 O
+ATOM 158 O5* A A 6 -5.731 18.959 14.348 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.018 18.566 13.857 1.00 0.00 C
+ATOM 160 C4* A A 6 -7.572 17.353 14.588 1.00 0.00 C
+ATOM 161 O4* A A 6 -6.676 16.216 14.456 1.00 0.00 O
+ATOM 162 C3* A A 6 -7.734 17.641 16.080 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.033 17.253 16.558 1.00 0.00 O
+ATOM 164 C2* A A 6 -6.664 16.828 16.734 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.346 15.718 15.770 1.00 0.00 C
+ATOM 166 N9 A A 6 -4.935 15.294 15.883 1.00 0.00 N
+ATOM 167 C8 A A 6 -3.804 16.030 16.051 1.00 0.00 C
+ATOM 168 N7 A A 6 -2.699 15.388 16.237 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.135 14.059 16.185 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.471 12.836 16.313 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.165 12.733 16.558 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.210 11.719 16.204 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.524 11.797 15.985 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.250 12.897 15.854 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.490 14.000 15.965 1.00 0.00 C
+ATOM 176 1H5* A A 6 -6.939 18.294 12.813 1.00 0.00 H
+ATOM 177 2H5* A A 6 -7.707 19.417 13.966 1.00 0.00 H
+ATOM 178 H4* A A 6 -8.542 17.091 14.166 1.00 0.00 H
+ATOM 179 H3* A A 6 -7.561 18.702 16.273 1.00 0.00 H
+ATOM 180 H1* A A 6 -6.990 14.865 15.993 1.00 0.00 H
+ATOM 181 H8 A A 6 -3.826 17.119 16.033 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.737 11.823 16.642 1.00 0.00 H
+ATOM 183 2H6 A A 6 -0.604 13.567 16.663 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.058 10.856 15.894 1.00 0.00 H
+ATOM 185 1H2* A A 6 -5.776 17.448 16.896 1.00 0.00 H
+ATOM 186 2H2* A A 6 -7.036 16.407 17.668 1.00 0.00 H
+ATOM 187 P G A 7 -9.738 18.062 17.757 1.00 0.00 P
+ATOM 188 O1P G A 7 -11.086 18.502 17.313 1.00 0.00 O
+ATOM 189 O2P G A 7 -8.784 19.073 18.279 1.00 0.00 O
+ATOM 190 O5* G A 7 -9.905 16.891 18.852 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.231 15.551 18.454 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.687 14.496 19.423 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.271 14.291 19.192 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.855 14.887 20.901 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.383 13.799 21.669 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.476 15.230 21.362 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.533 14.527 20.411 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.319 15.329 20.143 1.00 0.00 N
+ATOM 199 C8 G A 7 -6.171 16.671 19.974 1.00 0.00 C
+ATOM 200 N7 G A 7 -4.984 17.116 19.738 1.00 0.00 N
+ATOM 201 C5 G A 7 -4.230 15.941 19.744 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.836 15.756 19.540 1.00 0.00 C
+ATOM 203 O6 G A 7 -1.978 16.607 19.313 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.483 14.416 19.625 1.00 0.00 N
+ATOM 205 C2 G A 7 -3.357 13.378 19.874 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.828 12.156 19.893 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.670 13.541 20.068 1.00 0.00 N
+ATOM 208 C4 G A 7 -5.039 14.841 19.990 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.779 15.348 17.493 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.328 15.463 18.358 1.00 0.00 H
+ATOM 211 H4* G A 7 -10.207 13.555 19.247 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.498 15.765 20.999 1.00 0.00 H
+ATOM 213 H1* G A 7 -7.240 13.570 20.843 1.00 0.00 H
+ATOM 214 H8 G A 7 -7.025 17.346 20.015 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.504 14.206 19.489 1.00 0.00 H
+ATOM 216 1H2 G A 7 -1.836 12.032 19.747 1.00 0.00 H
+ATOM 217 2H2 G A 7 -3.419 11.354 20.045 1.00 0.00 H
+ATOM 218 1H2* G A 7 -8.332 16.312 21.325 1.00 0.00 H
+ATOM 219 2H2* G A 7 -8.329 14.841 22.374 1.00 0.00 H
+ATOM 220 P T A 8 -10.645 13.969 23.247 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.879 13.230 23.614 1.00 0.00 O
+ATOM 222 O2P T A 8 -10.529 15.407 23.601 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.372 13.186 23.840 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.296 11.753 23.780 1.00 0.00 C
+ATOM 225 C4* T A 8 -7.855 11.252 23.799 1.00 0.00 C
+ATOM 226 O4* T A 8 -6.978 12.207 23.153 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.339 11.050 25.224 1.00 0.00 C
+ATOM 228 O3* T A 8 -6.667 9.790 25.353 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.388 12.183 25.441 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.930 12.605 24.063 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.685 14.064 23.990 1.00 0.00 N
+ATOM 232 C2 T A 8 -4.464 14.474 23.490 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.606 13.675 23.123 1.00 0.00 O
+ATOM 234 N3 T A 8 -4.260 15.841 23.427 1.00 0.00 N
+ATOM 235 C4 T A 8 -5.158 16.818 23.815 1.00 0.00 C
+ATOM 236 O4 T A 8 -4.869 18.008 23.716 1.00 0.00 O
+ATOM 237 C5 T A 8 -6.406 16.300 24.324 1.00 0.00 C
+ATOM 238 C5M T A 8 -7.486 17.270 24.792 1.00 0.00 C
+ATOM 239 C6 T A 8 -6.633 14.973 24.396 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.733 11.413 22.852 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.859 11.337 24.628 1.00 0.00 H
+ATOM 242 H4* T A 8 -7.800 10.306 23.264 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.163 11.117 25.936 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.909 13.009 25.935 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.536 11.843 26.029 1.00 0.00 H
+ATOM 246 H1* T A 8 -5.007 12.065 23.803 1.00 0.00 H
+ATOM 247 H3 T A 8 -3.372 16.154 23.061 1.00 0.00 H
+ATOM 248 1H5M T A 8 -7.045 18.009 25.461 1.00 0.00 H
+ATOM 249 2H5M T A 8 -8.262 16.719 25.322 1.00 0.00 H
+ATOM 250 3H5M T A 8 -7.922 17.773 23.929 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.591 14.620 24.777 1.00 0.00 H
+ATOM 252 P T A 9 -6.292 9.197 26.800 1.00 0.00 P
+ATOM 253 O1P T A 9 -5.924 7.766 26.651 1.00 0.00 O
+ATOM 254 O2P T A 9 -7.355 9.575 27.766 1.00 0.00 O
+ATOM 255 O5* T A 9 -4.965 10.044 27.127 1.00 0.00 O
+ATOM 256 C5* T A 9 -3.677 9.598 26.674 1.00 0.00 C
+ATOM 257 C4* T A 9 -3.123 10.461 25.544 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.356 11.872 25.793 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.622 10.268 25.396 1.00 0.00 C
+ATOM 260 O3* T A 9 -1.273 10.026 24.033 1.00 0.00 O
+ATOM 261 C2* T A 9 -1.020 11.547 25.883 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.100 12.586 25.752 1.00 0.00 C
+ATOM 263 N1 T A 9 -2.008 13.589 26.832 1.00 0.00 N
+ATOM 264 C2 T A 9 -1.793 14.903 26.461 1.00 0.00 C
+ATOM 265 O2 T A 9 -1.699 15.245 25.284 1.00 0.00 O
+ATOM 266 N3 T A 9 -1.690 15.816 27.492 1.00 0.00 N
+ATOM 267 C4 T A 9 -1.782 15.533 28.844 1.00 0.00 C
+ATOM 268 O4 T A 9 -1.677 16.427 29.680 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.009 14.135 29.136 1.00 0.00 C
+ATOM 270 C5M T A 9 -2.131 13.682 30.587 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.112 13.224 28.147 1.00 0.00 C
+ATOM 272 1H5* T A 9 -3.763 8.592 26.286 1.00 0.00 H
+ATOM 273 2H5* T A 9 -2.985 9.605 27.527 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.609 10.178 24.610 1.00 0.00 H
+ATOM 275 H3* T A 9 -1.291 9.440 26.024 1.00 0.00 H
+ATOM 276 1H2* T A 9 -0.730 11.442 26.936 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.164 11.819 25.253 1.00 0.00 H
+ATOM 278 H1* T A 9 -2.003 13.085 24.787 1.00 0.00 H
+ATOM 279 H3 T A 9 -1.530 16.780 27.237 1.00 0.00 H
+ATOM 280 1H5M T A 9 -1.246 13.110 30.864 1.00 0.00 H
+ATOM 281 2H5M T A 9 -3.016 13.057 30.699 1.00 0.00 H
+ATOM 282 3H5M T A 9 -2.217 14.554 31.235 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.284 12.179 28.400 1.00 0.00 H
+ATOM 284 P A A 10 -0.393 8.748 23.648 1.00 0.00 P
+ATOM 285 O1P A A 10 0.570 8.484 24.747 1.00 0.00 O
+ATOM 286 O2P A A 10 0.118 8.907 22.264 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.525 7.608 23.669 1.00 0.00 O
+ATOM 288 C5* A A 10 -1.135 6.247 23.860 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.839 5.282 22.910 1.00 0.00 C
+ATOM 290 O4* A A 10 -3.123 5.806 22.496 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.987 5.086 21.663 1.00 0.00 C
+ATOM 292 O3* A A 10 -1.117 3.758 21.145 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.556 6.094 20.717 1.00 0.00 C
+ATOM 294 C1* A A 10 -3.005 6.258 21.139 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.532 7.630 21.026 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.879 8.809 21.080 1.00 0.00 C
+ATOM 297 N7 A A 10 -3.583 9.887 21.132 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.878 9.378 21.126 1.00 0.00 C
+ATOM 299 C6 A A 10 -6.131 9.990 21.163 1.00 0.00 C
+ATOM 300 N6 A A 10 -6.291 11.313 21.164 1.00 0.00 N
+ATOM 301 N1 A A 10 -7.212 9.189 21.149 1.00 0.00 N
+ATOM 302 C2 A A 10 -7.067 7.864 21.096 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.926 7.181 21.054 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.860 8.006 21.073 1.00 0.00 C
+ATOM 305 1H5* A A 10 -1.419 5.960 24.848 1.00 0.00 H
+ATOM 306 2H5* A A 10 -0.046 6.175 23.758 1.00 0.00 H
+ATOM 307 H4* A A 10 -1.981 4.323 23.407 1.00 0.00 H
+ATOM 308 H3* A A 10 0.059 5.317 21.867 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.608 5.618 20.513 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.815 8.840 21.207 1.00 0.00 H
+ATOM 311 1H6 A A 10 -5.482 11.921 21.136 1.00 0.00 H
+ATOM 312 2H6 A A 10 -7.219 11.709 21.195 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.984 7.275 21.087 1.00 0.00 H
+ATOM 314 1H2* A A 10 -1.012 7.033 20.818 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.511 5.705 19.692 1.00 0.00 H
+ATOM 316 P T A 11 -0.270 3.302 19.859 1.00 0.00 P
+ATOM 317 O1P T A 11 0.110 1.875 20.016 1.00 0.00 O
+ATOM 318 O2P T A 11 0.788 4.311 19.598 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.398 3.422 18.725 1.00 0.00 O
+ATOM 320 C5* T A 11 -2.501 2.507 18.710 1.00 0.00 C
+ATOM 321 C4* T A 11 -3.695 3.037 17.928 1.00 0.00 C
+ATOM 322 O4* T A 11 -3.822 4.478 18.072 1.00 0.00 O
+ATOM 323 C3* T A 11 -3.559 2.740 16.439 1.00 0.00 C
+ATOM 324 O3* T A 11 -4.755 2.154 15.916 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.303 4.067 15.806 1.00 0.00 C
+ATOM 326 C1* T A 11 -3.849 5.093 16.763 1.00 0.00 C
+ATOM 327 N1 T A 11 -3.053 6.339 16.729 1.00 0.00 N
+ATOM 328 C2 T A 11 -3.721 7.508 16.420 1.00 0.00 C
+ATOM 329 O2 T A 11 -4.924 7.530 16.171 1.00 0.00 O
+ATOM 330 N3 T A 11 -2.955 8.656 16.402 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.598 8.738 16.665 1.00 0.00 C
+ATOM 332 O4 T A 11 -1.018 9.821 16.635 1.00 0.00 O
+ATOM 333 C5 T A 11 -0.984 7.466 16.975 1.00 0.00 C
+ATOM 334 C5M T A 11 0.509 7.411 17.280 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.710 6.330 16.997 1.00 0.00 C
+ATOM 336 1H5* T A 11 -2.841 2.341 19.723 1.00 0.00 H
+ATOM 337 2H5* T A 11 -2.157 1.555 18.280 1.00 0.00 H
+ATOM 338 H4* T A 11 -4.603 2.565 18.302 1.00 0.00 H
+ATOM 339 H3* T A 11 -2.708 2.080 16.265 1.00 0.00 H
+ATOM 340 1H2* T A 11 -2.225 4.214 15.672 1.00 0.00 H
+ATOM 341 2H2* T A 11 -3.841 4.125 14.856 1.00 0.00 H
+ATOM 342 H1* T A 11 -4.881 5.317 16.495 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.426 9.509 16.163 1.00 0.00 H
+ATOM 344 1H5M T A 11 0.661 6.998 18.270 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.929 8.416 17.237 1.00 0.00 H
+ATOM 346 3H5M T A 11 1.004 6.778 16.555 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.215 5.386 17.226 1.00 0.00 H
+ATOM 348 P A A 12 -4.859 1.776 14.357 1.00 0.00 P
+ATOM 349 O1P A A 12 -5.746 0.596 14.205 1.00 0.00 O
+ATOM 350 O2P A A 12 -3.491 1.738 13.779 1.00 0.00 O
+ATOM 351 O5* A A 12 -5.623 3.078 13.804 1.00 0.00 O
+ATOM 352 C5* A A 12 -6.816 3.547 14.449 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.457 4.721 13.723 1.00 0.00 C
+ATOM 354 O4* A A 12 -6.750 5.959 14.001 1.00 0.00 O
+ATOM 355 C3* A A 12 -7.436 4.514 12.216 1.00 0.00 C
+ATOM 356 O3* A A 12 -8.717 4.784 11.637 1.00 0.00 O
+ATOM 357 C2* A A 12 -6.417 5.481 11.711 1.00 0.00 C
+ATOM 358 C1* A A 12 -6.321 6.561 12.757 1.00 0.00 C
+ATOM 359 N9 A A 12 -4.946 7.096 12.862 1.00 0.00 N
+ATOM 360 C8 A A 12 -3.772 6.449 13.070 1.00 0.00 C
+ATOM 361 N7 A A 12 -2.703 7.169 13.176 1.00 0.00 N
+ATOM 362 C5 A A 12 -3.216 8.459 13.013 1.00 0.00 C
+ATOM 363 C6 A A 12 -2.620 9.725 13.013 1.00 0.00 C
+ATOM 364 N6 A A 12 -1.314 9.921 13.209 1.00 0.00 N
+ATOM 365 N1 A A 12 -3.423 10.784 12.822 1.00 0.00 N
+ATOM 366 C2 A A 12 -4.731 10.618 12.643 1.00 0.00 C
+ATOM 367 N3 A A 12 -5.403 9.471 12.626 1.00 0.00 N
+ATOM 368 C4 A A 12 -4.579 8.422 12.819 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.572 3.890 15.445 1.00 0.00 H
+ATOM 370 2H5* A A 12 -7.527 2.711 14.510 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.490 4.823 14.055 1.00 0.00 H
+ATOM 372 H3* A A 12 -7.125 3.493 11.986 1.00 0.00 H
+ATOM 373 H1* A A 12 -7.003 7.370 12.498 1.00 0.00 H
+ATOM 374 H8 A A 12 -3.727 5.365 13.129 1.00 0.00 H
+ATOM 375 1H6 A A 12 -0.705 9.133 13.368 1.00 0.00 H
+ATOM 376 2H6 A A 12 -0.934 10.859 13.195 1.00 0.00 H
+ATOM 377 H2 A A 12 -5.315 11.524 12.496 1.00 0.00 H
+ATOM 378 1H2* A A 12 -5.448 4.978 11.603 1.00 0.00 H
+ATOM 379 2H2* A A 12 -6.759 5.910 10.767 1.00 0.00 H
+ATOM 380 P G A 13 -8.931 4.660 10.049 1.00 0.00 P
+ATOM 381 O1P G A 13 -10.349 4.309 9.781 1.00 0.00 O
+ATOM 382 O2P G A 13 -7.853 3.815 9.480 1.00 0.00 O
+ATOM 383 O5* G A 13 -8.683 6.188 9.613 1.00 0.00 O
+ATOM 384 C5* G A 13 -9.554 7.224 10.090 1.00 0.00 C
+ATOM 385 C4* G A 13 -9.235 8.591 9.498 1.00 0.00 C
+ATOM 386 O4* G A 13 -7.951 9.085 9.965 1.00 0.00 O
+ATOM 387 C3* G A 13 -9.175 8.534 7.977 1.00 0.00 C
+ATOM 388 O3* G A 13 -9.965 9.571 7.390 1.00 0.00 O
+ATOM 389 C2* G A 13 -7.729 8.709 7.642 1.00 0.00 C
+ATOM 390 C1* G A 13 -7.109 9.398 8.829 1.00 0.00 C
+ATOM 391 N9 G A 13 -5.729 8.931 9.042 1.00 0.00 N
+ATOM 392 C8 G A 13 -5.255 7.666 9.143 1.00 0.00 C
+ATOM 393 N7 G A 13 -3.993 7.512 9.342 1.00 0.00 N
+ATOM 394 C5 G A 13 -3.550 8.836 9.376 1.00 0.00 C
+ATOM 395 C6 G A 13 -2.243 9.350 9.562 1.00 0.00 C
+ATOM 396 O6 G A 13 -1.196 8.732 9.742 1.00 0.00 O
+ATOM 397 N1 G A 13 -2.233 10.734 9.524 1.00 0.00 N
+ATOM 398 C2 G A 13 -3.337 11.537 9.332 1.00 0.00 C
+ATOM 399 N2 G A 13 -3.115 12.853 9.315 1.00 0.00 N
+ATOM 400 N3 G A 13 -4.574 11.064 9.158 1.00 0.00 N
+ATOM 401 C4 G A 13 -4.610 9.713 9.192 1.00 0.00 C
+ATOM 402 1H5* G A 13 -9.447 7.315 11.162 1.00 0.00 H
+ATOM 403 2H5* G A 13 -10.588 6.943 9.846 1.00 0.00 H
+ATOM 404 H4* G A 13 -10.011 9.295 9.796 1.00 0.00 H
+ATOM 405 H3* G A 13 -9.517 7.556 7.630 1.00 0.00 H
+ATOM 406 H1* G A 13 -7.106 10.477 8.666 1.00 0.00 H
+ATOM 407 H8 G A 13 -5.917 6.810 9.035 1.00 0.00 H
+ATOM 408 H1 G A 13 -1.343 11.163 9.658 1.00 0.00 H
+ATOM 409 1H2 G A 13 -2.178 13.210 9.445 1.00 0.00 H
+ATOM 410 2H2 G A 13 -3.884 13.491 9.173 1.00 0.00 H
+ATOM 411 1H2* G A 13 -7.259 7.730 7.495 1.00 0.00 H
+ATOM 412 2H2* G A 13 -7.630 9.343 6.754 1.00 0.00 H
+ATOM 413 P G A 14 -10.036 9.738 5.796 1.00 0.00 P
+ATOM 414 O1P G A 14 -11.402 10.178 5.415 1.00 0.00 O
+ATOM 415 O2P G A 14 -9.456 8.528 5.158 1.00 0.00 O
+ATOM 416 O5* G A 14 -9.020 10.966 5.604 1.00 0.00 O
+ATOM 417 C5* G A 14 -9.095 12.101 6.478 1.00 0.00 C
+ATOM 418 C4* G A 14 -8.073 13.177 6.139 1.00 0.00 C
+ATOM 419 O4* G A 14 -6.760 12.843 6.663 1.00 0.00 O
+ATOM 420 C3* G A 14 -7.932 13.355 4.633 1.00 0.00 C
+ATOM 421 O3* G A 14 -8.032 14.733 4.268 1.00 0.00 O
+ATOM 422 C2* G A 14 -6.577 12.809 4.307 1.00 0.00 C
+ATOM 423 C1* G A 14 -5.789 12.869 5.592 1.00 0.00 C
+ATOM 424 N9 G A 14 -4.845 11.737 5.689 1.00 0.00 N
+ATOM 425 C8 G A 14 -5.075 10.406 5.582 1.00 0.00 C
+ATOM 426 N7 G A 14 -4.066 9.611 5.698 1.00 0.00 N
+ATOM 427 C5 G A 14 -3.021 10.513 5.908 1.00 0.00 C
+ATOM 428 C6 G A 14 -1.638 10.269 6.110 1.00 0.00 C
+ATOM 429 O6 G A 14 -1.045 9.192 6.149 1.00 0.00 O
+ATOM 430 N1 G A 14 -0.938 11.453 6.279 1.00 0.00 N
+ATOM 431 C2 G A 14 -1.488 12.717 6.261 1.00 0.00 C
+ATOM 432 N2 G A 14 -0.645 13.728 6.452 1.00 0.00 N
+ATOM 433 N3 G A 14 -2.786 12.956 6.074 1.00 0.00 N
+ATOM 434 C4 G A 14 -3.492 11.817 5.904 1.00 0.00 C
+ATOM 435 1H5* G A 14 -8.893 11.786 7.492 1.00 0.00 H
+ATOM 436 2H5* G A 14 -10.111 12.518 6.416 1.00 0.00 H
+ATOM 437 H4* G A 14 -8.396 14.121 6.578 1.00 0.00 H
+ATOM 438 H3* G A 14 -8.697 12.771 4.118 1.00 0.00 H
+ATOM 439 H1* G A 14 -5.234 13.805 5.631 1.00 0.00 H
+ATOM 440 H8 G A 14 -6.076 10.022 5.390 1.00 0.00 H
+ATOM 441 H1 G A 14 0.045 11.360 6.418 1.00 0.00 H
+ATOM 442 1H2 G A 14 0.339 13.547 6.593 1.00 0.00 H
+ATOM 443 2H2 G A 14 -0.989 14.677 6.462 1.00 0.00 H
+ATOM 444 1H2* G A 14 -6.665 11.769 3.972 1.00 0.00 H
+ATOM 445 2H2* G A 14 -6.099 13.440 3.550 1.00 0.00 H
+ATOM 446 P A A 15 -7.883 15.187 2.736 1.00 0.00 P
+ATOM 447 O1P A A 15 -8.765 16.356 2.490 1.00 0.00 O
+ATOM 448 O2P A A 15 -7.998 13.990 1.866 1.00 0.00 O
+ATOM 449 O5* A A 15 -6.354 15.678 2.748 1.00 0.00 O
+ATOM 450 C5* A A 15 -5.867 16.484 3.829 1.00 0.00 C
+ATOM 451 C4* A A 15 -4.430 16.932 3.623 1.00 0.00 C
+ATOM 452 O4* A A 15 -3.494 15.893 4.022 1.00 0.00 O
+ATOM 453 C3* A A 15 -4.161 17.248 2.158 1.00 0.00 C
+ATOM 454 O3* A A 15 -3.486 18.501 2.015 1.00 0.00 O
+ATOM 455 C2* A A 15 -3.303 16.124 1.679 1.00 0.00 C
+ATOM 456 C1* A A 15 -2.634 15.564 2.908 1.00 0.00 C
+ATOM 457 N9 A A 15 -2.428 14.106 2.787 1.00 0.00 N
+ATOM 458 C8 A A 15 -3.307 13.127 2.462 1.00 0.00 C
+ATOM 459 N7 A A 15 -2.861 11.917 2.407 1.00 0.00 N
+ATOM 460 C5 A A 15 -1.516 12.100 2.736 1.00 0.00 C
+ATOM 461 C6 A A 15 -0.442 11.216 2.863 1.00 0.00 C
+ATOM 462 N6 A A 15 -0.539 9.902 2.659 1.00 0.00 N
+ATOM 463 N1 A A 15 0.745 11.739 3.202 1.00 0.00 N
+ATOM 464 C2 A A 15 0.879 13.048 3.403 1.00 0.00 C
+ATOM 465 N3 A A 15 -0.065 13.975 3.308 1.00 0.00 N
+ATOM 466 C4 A A 15 -1.248 13.430 2.968 1.00 0.00 C
+ATOM 467 1H5* A A 15 -5.889 15.907 4.744 1.00 0.00 H
+ATOM 468 2H5* A A 15 -6.522 17.362 3.931 1.00 0.00 H
+ATOM 469 H4* A A 15 -4.243 17.824 4.222 1.00 0.00 H
+ATOM 470 H3* A A 15 -5.102 17.258 1.602 1.00 0.00 H
+ATOM 471 H1* A A 15 -1.669 16.052 3.043 1.00 0.00 H
+ATOM 472 H8 A A 15 -4.351 13.356 2.247 1.00 0.00 H
+ATOM 473 1H6 A A 15 0.276 9.313 2.767 1.00 0.00 H
+ATOM 474 2H6 A A 15 -1.425 9.496 2.396 1.00 0.00 H
+ATOM 475 H2 A A 15 1.871 13.395 3.684 1.00 0.00 H
+ATOM 476 1H2* A A 15 -3.927 15.352 1.212 1.00 0.00 H
+ATOM 477 2H2* A A 15 -2.549 16.508 0.988 1.00 0.00 H
+ATOM 478 P T A 16 -3.059 19.041 0.562 1.00 0.00 P
+ATOM 479 O1P T A 16 -3.122 20.525 0.560 1.00 0.00 O
+ATOM 480 O2P T A 16 -3.803 18.280 -0.473 1.00 0.00 O
+ATOM 481 O5* T A 16 -1.518 18.586 0.539 1.00 0.00 O
+ATOM 482 C5* T A 16 -0.683 18.803 1.685 1.00 0.00 C
+ATOM 483 C4* T A 16 0.776 18.450 1.430 1.00 0.00 C
+ATOM 484 O4* T A 16 1.010 17.028 1.605 1.00 0.00 O
+ATOM 485 C3* T A 16 1.193 18.812 0.010 1.00 0.00 C
+ATOM 486 O3* T A 16 2.408 19.571 0.006 1.00 0.00 O
+ATOM 487 C2* T A 16 1.376 17.496 -0.683 1.00 0.00 C
+ATOM 488 C1* T A 16 1.617 16.485 0.413 1.00 0.00 C
+ATOM 489 N1 T A 16 1.046 15.161 0.073 1.00 0.00 N
+ATOM 490 C2 T A 16 1.903 14.075 0.102 1.00 0.00 C
+ATOM 491 O2 T A 16 3.090 14.185 0.403 1.00 0.00 O
+ATOM 492 N3 T A 16 1.344 12.852 -0.226 1.00 0.00 N
+ATOM 493 C4 T A 16 0.025 12.626 -0.575 1.00 0.00 C
+ATOM 494 O4 T A 16 -0.363 11.494 -0.857 1.00 0.00 O
+ATOM 495 C5 T A 16 -0.795 13.815 -0.576 1.00 0.00 C
+ATOM 496 C5M T A 16 -2.273 13.706 -0.932 1.00 0.00 C
+ATOM 497 C6 T A 16 -0.275 15.020 -0.261 1.00 0.00 C
+ATOM 498 1H5* T A 16 -1.019 18.171 2.496 1.00 0.00 H
+ATOM 499 2H5* T A 16 -0.767 19.858 1.980 1.00 0.00 H
+ATOM 500 H4* T A 16 1.401 18.997 2.134 1.00 0.00 H
+ATOM 501 H3* T A 16 0.395 19.376 -0.477 1.00 0.00 H
+ATOM 502 1H2* T A 16 0.468 17.238 -1.239 1.00 0.00 H
+ATOM 503 2H2* T A 16 2.253 17.545 -1.341 1.00 0.00 H
+ATOM 504 H1* T A 16 2.692 16.383 0.574 1.00 0.00 H
+ATOM 505 H3 T A 16 1.948 12.054 -0.201 1.00 0.00 H
+ATOM 506 1H5M T A 16 -2.693 12.818 -0.470 1.00 0.00 H
+ATOM 507 2H5M T A 16 -2.384 13.630 -2.005 1.00 0.00 H
+ATOM 508 3H5M T A 16 -2.802 14.589 -0.575 1.00 0.00 H
+ATOM 509 H6 T A 16 -0.918 15.895 -0.271 1.00 0.00 H
+ATOM 510 H3T T A 16 2.175 20.485 0.184 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
+MASTER 0 0 0 0 0 0 0 6 5100 10 0 2
+END
diff --git a/tools/ch2lmp/example/1ac7.pgn b/tools/ch2lmp/example/1ac7.pgn
new file mode 100755
index 0000000000..487bcd705e
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7.pgn
@@ -0,0 +1,81 @@
+package require psfgen
+topology top_all27_na.rtf
+pdbalias residue A ADE
+pdbalias residue T THY
+pdbalias residue G GUA
+pdbalias residue C CYT
+pdbalias atom ADE O3* O3'
+pdbalias atom THY O3* O3'
+pdbalias atom GUA O3* O3'
+pdbalias atom CYT O3* O3'
+pdbalias atom ADE O4* O4'
+pdbalias atom THY O4* O4'
+pdbalias atom GUA O4* O4'
+pdbalias atom CYT O4* O4'
+pdbalias atom ADE O5* O5'
+pdbalias atom THY O5* O5'
+pdbalias atom GUA O5* O5'
+pdbalias atom CYT O5* O5'
+pdbalias atom ADE C1* C1'
+pdbalias atom THY C1* C1'
+pdbalias atom GUA C1* C1'
+pdbalias atom CYT C1* C1'
+pdbalias atom ADE C2* C2'
+pdbalias atom THY C2* C2'
+pdbalias atom GUA C2* C2'
+pdbalias atom CYT C2* C2'
+pdbalias atom ADE C3* C3'
+pdbalias atom THY C3* C3'
+pdbalias atom GUA C3* C3'
+pdbalias atom CYT C3* C3'
+pdbalias atom ADE C4* C4'
+pdbalias atom THY C4* C4'
+pdbalias atom GUA C4* C4'
+pdbalias atom CYT C4* C4'
+pdbalias atom ADE C5* C5'
+pdbalias atom THY C5* C5'
+pdbalias atom GUA C5* C5'
+pdbalias atom CYT C5* C5'
+pdbalias atom ADE H1* H1'
+pdbalias atom THY H1* H1'
+pdbalias atom GUA H1* H1'
+pdbalias atom CYT H1* H1'
+pdbalias atom ADE H3* H3'
+pdbalias atom THY H3* H3'
+pdbalias atom GUA H3* H3'
+pdbalias atom CYT H3* H3'
+pdbalias atom ADE H4* H4'
+pdbalias atom THY H4* H4'
+pdbalias atom GUA H4* H4'
+pdbalias atom CYT H4* H4'
+pdbalias atom ADE 1H5* H5'
+pdbalias atom THY 1H5* H5'
+pdbalias atom GUA 1H5* H5'
+pdbalias atom CYT 1H5* H5'
+pdbalias atom ADE 2H5* H5''
+pdbalias atom THY 2H5* H5''
+pdbalias atom GUA 2H5* H5''
+pdbalias atom CYT 2H5* H5''
+pdbalias atom ADE 1H2* H2'
+pdbalias atom THY 1H2* H2'
+pdbalias atom GUA 1H2* H2'
+pdbalias atom CYT 1H2* H2'
+pdbalias atom ADE 2H2* H2''
+pdbalias atom THY 2H2* H2''
+pdbalias atom GUA 2H2* H2''
+pdbalias atom CYT 2H2* H2''
+pdbalias atom GUA 1H2 H21
+pdbalias atom GUA 2H2 H22
+pdbalias atom CYT 1H4 H41
+pdbalias atom CYT 2H4 H42
+pdbalias atom ADE 1H6 H61
+pdbalias atom ADE 2H6 H62
+pdbalias atom THY 1H5M H51
+pdbalias atom THY 2H5M H52
+pdbalias atom THY 3H5M H53
+segment A {pdb 1ac7_pared.pdb}
+coordpdb 1ac7_pared.pdb A
+guesscoord
+writepdb 1ac7.pdb
+writepsf charmm 1ac7.psf
+exit
diff --git a/tools/ch2lmp/example/1ac7.psf b/tools/ch2lmp/example/1ac7.psf
new file mode 100755
index 0000000000..c9b72acdc3
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7.psf
@@ -0,0 +1,1872 @@
+PSF
+
+ 1 !NTITLE
+ REMARKS original generated structure charmm psf file
+
+ 527 !NATOM
+ 1 A 1 ADE P 82 1.500000 30.9740 0
+ 2 A 1 ADE O1P 74 -0.780000 15.9994 0
+ 3 A 1 ADE O2P 74 -0.780000 15.9994 0
+ 4 A 1 ADE O5' 73 -0.570000 15.9994 0
+ 5 A 1 ADE C5' 38 -0.080000 12.0110 0
+ 6 A 1 ADE H5' 12 0.090000 1.0080 0
+ 7 A 1 ADE H5'' 12 0.090000 1.0080 0
+ 8 A 1 ADE C4' 33 0.160000 12.0110 0
+ 9 A 1 ADE H4' 11 0.090000 1.0080 0
+ 10 A 1 ADE O4' 78 -0.500000 15.9994 0
+ 11 A 1 ADE C1' 34 0.160000 12.0110 0
+ 12 A 1 ADE H1' 11 0.090000 1.0080 0
+ 13 A 1 ADE N9 52 -0.050000 14.0070 0
+ 14 A 1 ADE C5 31 0.280000 12.0110 0
+ 15 A 1 ADE N7 61 -0.710000 14.0070 0
+ 16 A 1 ADE C8 30 0.340000 12.0110 0
+ 17 A 1 ADE H8 4 0.120000 1.0080 0
+ 18 A 1 ADE N1 58 -0.740000 14.0070 0
+ 19 A 1 ADE C2 30 0.500000 12.0110 0
+ 20 A 1 ADE H2 4 0.130000 1.0080 0
+ 21 A 1 ADE N3 58 -0.750000 14.0070 0
+ 22 A 1 ADE C4 31 0.430000 12.0110 0
+ 23 A 1 ADE C6 23 0.460000 12.0110 0
+ 24 A 1 ADE N6 50 -0.770000 14.0070 0
+ 25 A 1 ADE H61 2 0.380000 1.0080 0
+ 26 A 1 ADE H62 2 0.380000 1.0080 0
+ 27 A 1 ADE C2' 34 0.140000 12.0110 0
+ 28 A 1 ADE H2'' 11 0.090000 1.0080 0
+ 29 A 1 ADE O2' 76 -0.660000 15.9994 0
+ 30 A 1 ADE H2' 9 0.430000 1.0080 0
+ 31 A 1 ADE C3' 33 0.010000 12.0110 0
+ 32 A 1 ADE H3' 11 0.090000 1.0080 0
+ 33 A 1 ADE O3' 73 -0.570000 15.9994 0
+ 34 A 2 THY P 82 1.500000 30.9740 0
+ 35 A 2 THY O1P 74 -0.780000 15.9994 0
+ 36 A 2 THY O2P 74 -0.780000 15.9994 0
+ 37 A 2 THY O5' 73 -0.570000 15.9994 0
+ 38 A 2 THY C5' 38 -0.080000 12.0110 0
+ 39 A 2 THY H5' 12 0.090000 1.0080 0
+ 40 A 2 THY H5'' 12 0.090000 1.0080 0
+ 41 A 2 THY C4' 33 0.160000 12.0110 0
+ 42 A 2 THY H4' 11 0.090000 1.0080 0
+ 43 A 2 THY O4' 78 -0.500000 15.9994 0
+ 44 A 2 THY C1' 34 0.160000 12.0110 0
+ 45 A 2 THY H1' 11 0.090000 1.0080 0
+ 46 A 2 THY N1 53 -0.340000 14.0070 0
+ 47 A 2 THY C6 24 0.170000 12.0110 0
+ 48 A 2 THY H6 4 0.170000 1.0080 0
+ 49 A 2 THY C2 22 0.510000 12.0110 0
+ 50 A 2 THY O2 71 -0.410000 15.9994 0
+ 51 A 2 THY N3 55 -0.460000 14.0070 0
+ 52 A 2 THY H3 3 0.360000 1.0080 0
+ 53 A 2 THY C4 20 0.500000 12.0110 0
+ 54 A 2 THY O4 71 -0.450000 15.9994 0
+ 55 A 2 THY C5 29 -0.150000 12.0110 0
+ 56 A 2 THY C5M 39 -0.110000 12.0110 0
+ 57 A 2 THY H51 13 0.070000 1.0080 0
+ 58 A 2 THY H52 13 0.070000 1.0080 0
+ 59 A 2 THY H53 13 0.070000 1.0080 0
+ 60 A 2 THY C2' 34 0.140000 12.0110 0
+ 61 A 2 THY H2'' 11 0.090000 1.0080 0
+ 62 A 2 THY O2' 76 -0.660000 15.9994 0
+ 63 A 2 THY H2' 9 0.430000 1.0080 0
+ 64 A 2 THY C3' 33 0.010000 12.0110 0
+ 65 A 2 THY H3' 11 0.090000 1.0080 0
+ 66 A 2 THY O3' 73 -0.570000 15.9994 0
+ 67 A 3 CYT P 82 1.500000 30.9740 0
+ 68 A 3 CYT O1P 74 -0.780000 15.9994 0
+ 69 A 3 CYT O2P 74 -0.780000 15.9994 0
+ 70 A 3 CYT O5' 73 -0.570000 15.9994 0
+ 71 A 3 CYT C5' 38 -0.080000 12.0110 0
+ 72 A 3 CYT H5' 12 0.090000 1.0080 0
+ 73 A 3 CYT H5'' 12 0.090000 1.0080 0
+ 74 A 3 CYT C4' 33 0.160000 12.0110 0
+ 75 A 3 CYT H4' 11 0.090000 1.0080 0
+ 76 A 3 CYT O4' 78 -0.500000 15.9994 0
+ 77 A 3 CYT C1' 34 0.160000 12.0110 0
+ 78 A 3 CYT H1' 11 0.090000 1.0080 0
+ 79 A 3 CYT N1 52 -0.130000 14.0070 0
+ 80 A 3 CYT C6 24 0.050000 12.0110 0
+ 81 A 3 CYT H6 4 0.170000 1.0080 0
+ 82 A 3 CYT C5 24 -0.130000 12.0110 0
+ 83 A 3 CYT H5 4 0.070000 1.0080 0
+ 84 A 3 CYT C2 20 0.520000 12.0110 0
+ 85 A 3 CYT O2 72 -0.490000 15.9994 0
+ 86 A 3 CYT N3 57 -0.660000 14.0070 0
+ 87 A 3 CYT C4 23 0.650000 12.0110 0
+ 88 A 3 CYT N4 50 -0.750000 14.0070 0
+ 89 A 3 CYT H41 2 0.370000 1.0080 0
+ 90 A 3 CYT H42 2 0.330000 1.0080 0
+ 91 A 3 CYT C2' 34 0.140000 12.0110 0
+ 92 A 3 CYT H2'' 11 0.090000 1.0080 0
+ 93 A 3 CYT O2' 76 -0.660000 15.9994 0
+ 94 A 3 CYT H2' 9 0.430000 1.0080 0
+ 95 A 3 CYT C3' 33 0.010000 12.0110 0
+ 96 A 3 CYT H3' 11 0.090000 1.0080 0
+ 97 A 3 CYT O3' 73 -0.570000 15.9994 0
+ 98 A 4 CYT P 82 1.500000 30.9740 0
+ 99 A 4 CYT O1P 74 -0.780000 15.9994 0
+ 100 A 4 CYT O2P 74 -0.780000 15.9994 0
+ 101 A 4 CYT O5' 73 -0.570000 15.9994 0
+ 102 A 4 CYT C5' 38 -0.080000 12.0110 0
+ 103 A 4 CYT H5' 12 0.090000 1.0080 0
+ 104 A 4 CYT H5'' 12 0.090000 1.0080 0
+ 105 A 4 CYT C4' 33 0.160000 12.0110 0
+ 106 A 4 CYT H4' 11 0.090000 1.0080 0
+ 107 A 4 CYT O4' 78 -0.500000 15.9994 0
+ 108 A 4 CYT C1' 34 0.160000 12.0110 0
+ 109 A 4 CYT H1' 11 0.090000 1.0080 0
+ 110 A 4 CYT N1 52 -0.130000 14.0070 0
+ 111 A 4 CYT C6 24 0.050000 12.0110 0
+ 112 A 4 CYT H6 4 0.170000 1.0080 0
+ 113 A 4 CYT C5 24 -0.130000 12.0110 0
+ 114 A 4 CYT H5 4 0.070000 1.0080 0
+ 115 A 4 CYT C2 20 0.520000 12.0110 0
+ 116 A 4 CYT O2 72 -0.490000 15.9994 0
+ 117 A 4 CYT N3 57 -0.660000 14.0070 0
+ 118 A 4 CYT C4 23 0.650000 12.0110 0
+ 119 A 4 CYT N4 50 -0.750000 14.0070 0
+ 120 A 4 CYT H41 2 0.370000 1.0080 0
+ 121 A 4 CYT H42 2 0.330000 1.0080 0
+ 122 A 4 CYT C2' 34 0.140000 12.0110 0
+ 123 A 4 CYT H2'' 11 0.090000 1.0080 0
+ 124 A 4 CYT O2' 76 -0.660000 15.9994 0
+ 125 A 4 CYT H2' 9 0.430000 1.0080 0
+ 126 A 4 CYT C3' 33 0.010000 12.0110 0
+ 127 A 4 CYT H3' 11 0.090000 1.0080 0
+ 128 A 4 CYT O3' 73 -0.570000 15.9994 0
+ 129 A 5 THY P 82 1.500000 30.9740 0
+ 130 A 5 THY O1P 74 -0.780000 15.9994 0
+ 131 A 5 THY O2P 74 -0.780000 15.9994 0
+ 132 A 5 THY O5' 73 -0.570000 15.9994 0
+ 133 A 5 THY C5' 38 -0.080000 12.0110 0
+ 134 A 5 THY H5' 12 0.090000 1.0080 0
+ 135 A 5 THY H5'' 12 0.090000 1.0080 0
+ 136 A 5 THY C4' 33 0.160000 12.0110 0
+ 137 A 5 THY H4' 11 0.090000 1.0080 0
+ 138 A 5 THY O4' 78 -0.500000 15.9994 0
+ 139 A 5 THY C1' 34 0.160000 12.0110 0
+ 140 A 5 THY H1' 11 0.090000 1.0080 0
+ 141 A 5 THY N1 53 -0.340000 14.0070 0
+ 142 A 5 THY C6 24 0.170000 12.0110 0
+ 143 A 5 THY H6 4 0.170000 1.0080 0
+ 144 A 5 THY C2 22 0.510000 12.0110 0
+ 145 A 5 THY O2 71 -0.410000 15.9994 0
+ 146 A 5 THY N3 55 -0.460000 14.0070 0
+ 147 A 5 THY H3 3 0.360000 1.0080 0
+ 148 A 5 THY C4 20 0.500000 12.0110 0
+ 149 A 5 THY O4 71 -0.450000 15.9994 0
+ 150 A 5 THY C5 29 -0.150000 12.0110 0
+ 151 A 5 THY C5M 39 -0.110000 12.0110 0
+ 152 A 5 THY H51 13 0.070000 1.0080 0
+ 153 A 5 THY H52 13 0.070000 1.0080 0
+ 154 A 5 THY H53 13 0.070000 1.0080 0
+ 155 A 5 THY C2' 34 0.140000 12.0110 0
+ 156 A 5 THY H2'' 11 0.090000 1.0080 0
+ 157 A 5 THY O2' 76 -0.660000 15.9994 0
+ 158 A 5 THY H2' 9 0.430000 1.0080 0
+ 159 A 5 THY C3' 33 0.010000 12.0110 0
+ 160 A 5 THY H3' 11 0.090000 1.0080 0
+ 161 A 5 THY O3' 73 -0.570000 15.9994 0
+ 162 A 6 ADE P 82 1.500000 30.9740 0
+ 163 A 6 ADE O1P 74 -0.780000 15.9994 0
+ 164 A 6 ADE O2P 74 -0.780000 15.9994 0
+ 165 A 6 ADE O5' 73 -0.570000 15.9994 0
+ 166 A 6 ADE C5' 38 -0.080000 12.0110 0
+ 167 A 6 ADE H5' 12 0.090000 1.0080 0
+ 168 A 6 ADE H5'' 12 0.090000 1.0080 0
+ 169 A 6 ADE C4' 33 0.160000 12.0110 0
+ 170 A 6 ADE H4' 11 0.090000 1.0080 0
+ 171 A 6 ADE O4' 78 -0.500000 15.9994 0
+ 172 A 6 ADE C1' 34 0.160000 12.0110 0
+ 173 A 6 ADE H1' 11 0.090000 1.0080 0
+ 174 A 6 ADE N9 52 -0.050000 14.0070 0
+ 175 A 6 ADE C5 31 0.280000 12.0110 0
+ 176 A 6 ADE N7 61 -0.710000 14.0070 0
+ 177 A 6 ADE C8 30 0.340000 12.0110 0
+ 178 A 6 ADE H8 4 0.120000 1.0080 0
+ 179 A 6 ADE N1 58 -0.740000 14.0070 0
+ 180 A 6 ADE C2 30 0.500000 12.0110 0
+ 181 A 6 ADE H2 4 0.130000 1.0080 0
+ 182 A 6 ADE N3 58 -0.750000 14.0070 0
+ 183 A 6 ADE C4 31 0.430000 12.0110 0
+ 184 A 6 ADE C6 23 0.460000 12.0110 0
+ 185 A 6 ADE N6 50 -0.770000 14.0070 0
+ 186 A 6 ADE H61 2 0.380000 1.0080 0
+ 187 A 6 ADE H62 2 0.380000 1.0080 0
+ 188 A 6 ADE C2' 34 0.140000 12.0110 0
+ 189 A 6 ADE H2'' 11 0.090000 1.0080 0
+ 190 A 6 ADE O2' 76 -0.660000 15.9994 0
+ 191 A 6 ADE H2' 9 0.430000 1.0080 0
+ 192 A 6 ADE C3' 33 0.010000 12.0110 0
+ 193 A 6 ADE H3' 11 0.090000 1.0080 0
+ 194 A 6 ADE O3' 73 -0.570000 15.9994 0
+ 195 A 7 GUA P 82 1.500000 30.9740 0
+ 196 A 7 GUA O1P 74 -0.780000 15.9994 0
+ 197 A 7 GUA O2P 74 -0.780000 15.9994 0
+ 198 A 7 GUA O5' 73 -0.570000 15.9994 0
+ 199 A 7 GUA C5' 38 -0.080000 12.0110 0
+ 200 A 7 GUA H5' 12 0.090000 1.0080 0
+ 201 A 7 GUA H5'' 12 0.090000 1.0080 0
+ 202 A 7 GUA C4' 33 0.160000 12.0110 0
+ 203 A 7 GUA H4' 11 0.090000 1.0080 0
+ 204 A 7 GUA O4' 78 -0.500000 15.9994 0
+ 205 A 7 GUA C1' 34 0.160000 12.0110 0
+ 206 A 7 GUA H1' 11 0.090000 1.0080 0
+ 207 A 7 GUA N9 53 -0.020000 14.0070 0
+ 208 A 7 GUA C4 31 0.260000 12.0110 0
+ 209 A 7 GUA N2 50 -0.680000 14.0070 0
+ 210 A 7 GUA H21 2 0.320000 1.0080 0
+ 211 A 7 GUA H22 2 0.350000 1.0080 0
+ 212 A 7 GUA N3 60 -0.740000 14.0070 0
+ 213 A 7 GUA C2 23 0.750000 12.0110 0
+ 214 A 7 GUA N1 56 -0.340000 14.0070 0
+ 215 A 7 GUA H1 3 0.260000 1.0080 0
+ 216 A 7 GUA C6 20 0.540000 12.0110 0
+ 217 A 7 GUA O6 71 -0.510000 15.9994 0
+ 218 A 7 GUA C5 32 0.000000 12.0110 0
+ 219 A 7 GUA N7 61 -0.600000 14.0070 0
+ 220 A 7 GUA C8 30 0.250000 12.0110 0
+ 221 A 7 GUA H8 4 0.160000 1.0080 0
+ 222 A 7 GUA C2' 34 0.140000 12.0110 0
+ 223 A 7 GUA H2'' 11 0.090000 1.0080 0
+ 224 A 7 GUA O2' 76 -0.660000 15.9994 0
+ 225 A 7 GUA H2' 9 0.430000 1.0080 0
+ 226 A 7 GUA C3' 33 0.010000 12.0110 0
+ 227 A 7 GUA H3' 11 0.090000 1.0080 0
+ 228 A 7 GUA O3' 73 -0.570000 15.9994 0
+ 229 A 8 THY P 82 1.500000 30.9740 0
+ 230 A 8 THY O1P 74 -0.780000 15.9994 0
+ 231 A 8 THY O2P 74 -0.780000 15.9994 0
+ 232 A 8 THY O5' 73 -0.570000 15.9994 0
+ 233 A 8 THY C5' 38 -0.080000 12.0110 0
+ 234 A 8 THY H5' 12 0.090000 1.0080 0
+ 235 A 8 THY H5'' 12 0.090000 1.0080 0
+ 236 A 8 THY C4' 33 0.160000 12.0110 0
+ 237 A 8 THY H4' 11 0.090000 1.0080 0
+ 238 A 8 THY O4' 78 -0.500000 15.9994 0
+ 239 A 8 THY C1' 34 0.160000 12.0110 0
+ 240 A 8 THY H1' 11 0.090000 1.0080 0
+ 241 A 8 THY N1 53 -0.340000 14.0070 0
+ 242 A 8 THY C6 24 0.170000 12.0110 0
+ 243 A 8 THY H6 4 0.170000 1.0080 0
+ 244 A 8 THY C2 22 0.510000 12.0110 0
+ 245 A 8 THY O2 71 -0.410000 15.9994 0
+ 246 A 8 THY N3 55 -0.460000 14.0070 0
+ 247 A 8 THY H3 3 0.360000 1.0080 0
+ 248 A 8 THY C4 20 0.500000 12.0110 0
+ 249 A 8 THY O4 71 -0.450000 15.9994 0
+ 250 A 8 THY C5 29 -0.150000 12.0110 0
+ 251 A 8 THY C5M 39 -0.110000 12.0110 0
+ 252 A 8 THY H51 13 0.070000 1.0080 0
+ 253 A 8 THY H52 13 0.070000 1.0080 0
+ 254 A 8 THY H53 13 0.070000 1.0080 0
+ 255 A 8 THY C2' 34 0.140000 12.0110 0
+ 256 A 8 THY H2'' 11 0.090000 1.0080 0
+ 257 A 8 THY O2' 76 -0.660000 15.9994 0
+ 258 A 8 THY H2' 9 0.430000 1.0080 0
+ 259 A 8 THY C3' 33 0.010000 12.0110 0
+ 260 A 8 THY H3' 11 0.090000 1.0080 0
+ 261 A 8 THY O3' 73 -0.570000 15.9994 0
+ 262 A 9 THY P 82 1.500000 30.9740 0
+ 263 A 9 THY O1P 74 -0.780000 15.9994 0
+ 264 A 9 THY O2P 74 -0.780000 15.9994 0
+ 265 A 9 THY O5' 73 -0.570000 15.9994 0
+ 266 A 9 THY C5' 38 -0.080000 12.0110 0
+ 267 A 9 THY H5' 12 0.090000 1.0080 0
+ 268 A 9 THY H5'' 12 0.090000 1.0080 0
+ 269 A 9 THY C4' 33 0.160000 12.0110 0
+ 270 A 9 THY H4' 11 0.090000 1.0080 0
+ 271 A 9 THY O4' 78 -0.500000 15.9994 0
+ 272 A 9 THY C1' 34 0.160000 12.0110 0
+ 273 A 9 THY H1' 11 0.090000 1.0080 0
+ 274 A 9 THY N1 53 -0.340000 14.0070 0
+ 275 A 9 THY C6 24 0.170000 12.0110 0
+ 276 A 9 THY H6 4 0.170000 1.0080 0
+ 277 A 9 THY C2 22 0.510000 12.0110 0
+ 278 A 9 THY O2 71 -0.410000 15.9994 0
+ 279 A 9 THY N3 55 -0.460000 14.0070 0
+ 280 A 9 THY H3 3 0.360000 1.0080 0
+ 281 A 9 THY C4 20 0.500000 12.0110 0
+ 282 A 9 THY O4 71 -0.450000 15.9994 0
+ 283 A 9 THY C5 29 -0.150000 12.0110 0
+ 284 A 9 THY C5M 39 -0.110000 12.0110 0
+ 285 A 9 THY H51 13 0.070000 1.0080 0
+ 286 A 9 THY H52 13 0.070000 1.0080 0
+ 287 A 9 THY H53 13 0.070000 1.0080 0
+ 288 A 9 THY C2' 34 0.140000 12.0110 0
+ 289 A 9 THY H2'' 11 0.090000 1.0080 0
+ 290 A 9 THY O2' 76 -0.660000 15.9994 0
+ 291 A 9 THY H2' 9 0.430000 1.0080 0
+ 292 A 9 THY C3' 33 0.010000 12.0110 0
+ 293 A 9 THY H3' 11 0.090000 1.0080 0
+ 294 A 9 THY O3' 73 -0.570000 15.9994 0
+ 295 A 10 ADE P 82 1.500000 30.9740 0
+ 296 A 10 ADE O1P 74 -0.780000 15.9994 0
+ 297 A 10 ADE O2P 74 -0.780000 15.9994 0
+ 298 A 10 ADE O5' 73 -0.570000 15.9994 0
+ 299 A 10 ADE C5' 38 -0.080000 12.0110 0
+ 300 A 10 ADE H5' 12 0.090000 1.0080 0
+ 301 A 10 ADE H5'' 12 0.090000 1.0080 0
+ 302 A 10 ADE C4' 33 0.160000 12.0110 0
+ 303 A 10 ADE H4' 11 0.090000 1.0080 0
+ 304 A 10 ADE O4' 78 -0.500000 15.9994 0
+ 305 A 10 ADE C1' 34 0.160000 12.0110 0
+ 306 A 10 ADE H1' 11 0.090000 1.0080 0
+ 307 A 10 ADE N9 52 -0.050000 14.0070 0
+ 308 A 10 ADE C5 31 0.280000 12.0110 0
+ 309 A 10 ADE N7 61 -0.710000 14.0070 0
+ 310 A 10 ADE C8 30 0.340000 12.0110 0
+ 311 A 10 ADE H8 4 0.120000 1.0080 0
+ 312 A 10 ADE N1 58 -0.740000 14.0070 0
+ 313 A 10 ADE C2 30 0.500000 12.0110 0
+ 314 A 10 ADE H2 4 0.130000 1.0080 0
+ 315 A 10 ADE N3 58 -0.750000 14.0070 0
+ 316 A 10 ADE C4 31 0.430000 12.0110 0
+ 317 A 10 ADE C6 23 0.460000 12.0110 0
+ 318 A 10 ADE N6 50 -0.770000 14.0070 0
+ 319 A 10 ADE H61 2 0.380000 1.0080 0
+ 320 A 10 ADE H62 2 0.380000 1.0080 0
+ 321 A 10 ADE C2' 34 0.140000 12.0110 0
+ 322 A 10 ADE H2'' 11 0.090000 1.0080 0
+ 323 A 10 ADE O2' 76 -0.660000 15.9994 0
+ 324 A 10 ADE H2' 9 0.430000 1.0080 0
+ 325 A 10 ADE C3' 33 0.010000 12.0110 0
+ 326 A 10 ADE H3' 11 0.090000 1.0080 0
+ 327 A 10 ADE O3' 73 -0.570000 15.9994 0
+ 328 A 11 THY P 82 1.500000 30.9740 0
+ 329 A 11 THY O1P 74 -0.780000 15.9994 0
+ 330 A 11 THY O2P 74 -0.780000 15.9994 0
+ 331 A 11 THY O5' 73 -0.570000 15.9994 0
+ 332 A 11 THY C5' 38 -0.080000 12.0110 0
+ 333 A 11 THY H5' 12 0.090000 1.0080 0
+ 334 A 11 THY H5'' 12 0.090000 1.0080 0
+ 335 A 11 THY C4' 33 0.160000 12.0110 0
+ 336 A 11 THY H4' 11 0.090000 1.0080 0
+ 337 A 11 THY O4' 78 -0.500000 15.9994 0
+ 338 A 11 THY C1' 34 0.160000 12.0110 0
+ 339 A 11 THY H1' 11 0.090000 1.0080 0
+ 340 A 11 THY N1 53 -0.340000 14.0070 0
+ 341 A 11 THY C6 24 0.170000 12.0110 0
+ 342 A 11 THY H6 4 0.170000 1.0080 0
+ 343 A 11 THY C2 22 0.510000 12.0110 0
+ 344 A 11 THY O2 71 -0.410000 15.9994 0
+ 345 A 11 THY N3 55 -0.460000 14.0070 0
+ 346 A 11 THY H3 3 0.360000 1.0080 0
+ 347 A 11 THY C4 20 0.500000 12.0110 0
+ 348 A 11 THY O4 71 -0.450000 15.9994 0
+ 349 A 11 THY C5 29 -0.150000 12.0110 0
+ 350 A 11 THY C5M 39 -0.110000 12.0110 0
+ 351 A 11 THY H51 13 0.070000 1.0080 0
+ 352 A 11 THY H52 13 0.070000 1.0080 0
+ 353 A 11 THY H53 13 0.070000 1.0080 0
+ 354 A 11 THY C2' 34 0.140000 12.0110 0
+ 355 A 11 THY H2'' 11 0.090000 1.0080 0
+ 356 A 11 THY O2' 76 -0.660000 15.9994 0
+ 357 A 11 THY H2' 9 0.430000 1.0080 0
+ 358 A 11 THY C3' 33 0.010000 12.0110 0
+ 359 A 11 THY H3' 11 0.090000 1.0080 0
+ 360 A 11 THY O3' 73 -0.570000 15.9994 0
+ 361 A 12 ADE P 82 1.500000 30.9740 0
+ 362 A 12 ADE O1P 74 -0.780000 15.9994 0
+ 363 A 12 ADE O2P 74 -0.780000 15.9994 0
+ 364 A 12 ADE O5' 73 -0.570000 15.9994 0
+ 365 A 12 ADE C5' 38 -0.080000 12.0110 0
+ 366 A 12 ADE H5' 12 0.090000 1.0080 0
+ 367 A 12 ADE H5'' 12 0.090000 1.0080 0
+ 368 A 12 ADE C4' 33 0.160000 12.0110 0
+ 369 A 12 ADE H4' 11 0.090000 1.0080 0
+ 370 A 12 ADE O4' 78 -0.500000 15.9994 0
+ 371 A 12 ADE C1' 34 0.160000 12.0110 0
+ 372 A 12 ADE H1' 11 0.090000 1.0080 0
+ 373 A 12 ADE N9 52 -0.050000 14.0070 0
+ 374 A 12 ADE C5 31 0.280000 12.0110 0
+ 375 A 12 ADE N7 61 -0.710000 14.0070 0
+ 376 A 12 ADE C8 30 0.340000 12.0110 0
+ 377 A 12 ADE H8 4 0.120000 1.0080 0
+ 378 A 12 ADE N1 58 -0.740000 14.0070 0
+ 379 A 12 ADE C2 30 0.500000 12.0110 0
+ 380 A 12 ADE H2 4 0.130000 1.0080 0
+ 381 A 12 ADE N3 58 -0.750000 14.0070 0
+ 382 A 12 ADE C4 31 0.430000 12.0110 0
+ 383 A 12 ADE C6 23 0.460000 12.0110 0
+ 384 A 12 ADE N6 50 -0.770000 14.0070 0
+ 385 A 12 ADE H61 2 0.380000 1.0080 0
+ 386 A 12 ADE H62 2 0.380000 1.0080 0
+ 387 A 12 ADE C2' 34 0.140000 12.0110 0
+ 388 A 12 ADE H2'' 11 0.090000 1.0080 0
+ 389 A 12 ADE O2' 76 -0.660000 15.9994 0
+ 390 A 12 ADE H2' 9 0.430000 1.0080 0
+ 391 A 12 ADE C3' 33 0.010000 12.0110 0
+ 392 A 12 ADE H3' 11 0.090000 1.0080 0
+ 393 A 12 ADE O3' 73 -0.570000 15.9994 0
+ 394 A 13 GUA P 82 1.500000 30.9740 0
+ 395 A 13 GUA O1P 74 -0.780000 15.9994 0
+ 396 A 13 GUA O2P 74 -0.780000 15.9994 0
+ 397 A 13 GUA O5' 73 -0.570000 15.9994 0
+ 398 A 13 GUA C5' 38 -0.080000 12.0110 0
+ 399 A 13 GUA H5' 12 0.090000 1.0080 0
+ 400 A 13 GUA H5'' 12 0.090000 1.0080 0
+ 401 A 13 GUA C4' 33 0.160000 12.0110 0
+ 402 A 13 GUA H4' 11 0.090000 1.0080 0
+ 403 A 13 GUA O4' 78 -0.500000 15.9994 0
+ 404 A 13 GUA C1' 34 0.160000 12.0110 0
+ 405 A 13 GUA H1' 11 0.090000 1.0080 0
+ 406 A 13 GUA N9 53 -0.020000 14.0070 0
+ 407 A 13 GUA C4 31 0.260000 12.0110 0
+ 408 A 13 GUA N2 50 -0.680000 14.0070 0
+ 409 A 13 GUA H21 2 0.320000 1.0080 0
+ 410 A 13 GUA H22 2 0.350000 1.0080 0
+ 411 A 13 GUA N3 60 -0.740000 14.0070 0
+ 412 A 13 GUA C2 23 0.750000 12.0110 0
+ 413 A 13 GUA N1 56 -0.340000 14.0070 0
+ 414 A 13 GUA H1 3 0.260000 1.0080 0
+ 415 A 13 GUA C6 20 0.540000 12.0110 0
+ 416 A 13 GUA O6 71 -0.510000 15.9994 0
+ 417 A 13 GUA C5 32 0.000000 12.0110 0
+ 418 A 13 GUA N7 61 -0.600000 14.0070 0
+ 419 A 13 GUA C8 30 0.250000 12.0110 0
+ 420 A 13 GUA H8 4 0.160000 1.0080 0
+ 421 A 13 GUA C2' 34 0.140000 12.0110 0
+ 422 A 13 GUA H2'' 11 0.090000 1.0080 0
+ 423 A 13 GUA O2' 76 -0.660000 15.9994 0
+ 424 A 13 GUA H2' 9 0.430000 1.0080 0
+ 425 A 13 GUA C3' 33 0.010000 12.0110 0
+ 426 A 13 GUA H3' 11 0.090000 1.0080 0
+ 427 A 13 GUA O3' 73 -0.570000 15.9994 0
+ 428 A 14 GUA P 82 1.500000 30.9740 0
+ 429 A 14 GUA O1P 74 -0.780000 15.9994 0
+ 430 A 14 GUA O2P 74 -0.780000 15.9994 0
+ 431 A 14 GUA O5' 73 -0.570000 15.9994 0
+ 432 A 14 GUA C5' 38 -0.080000 12.0110 0
+ 433 A 14 GUA H5' 12 0.090000 1.0080 0
+ 434 A 14 GUA H5'' 12 0.090000 1.0080 0
+ 435 A 14 GUA C4' 33 0.160000 12.0110 0
+ 436 A 14 GUA H4' 11 0.090000 1.0080 0
+ 437 A 14 GUA O4' 78 -0.500000 15.9994 0
+ 438 A 14 GUA C1' 34 0.160000 12.0110 0
+ 439 A 14 GUA H1' 11 0.090000 1.0080 0
+ 440 A 14 GUA N9 53 -0.020000 14.0070 0
+ 441 A 14 GUA C4 31 0.260000 12.0110 0
+ 442 A 14 GUA N2 50 -0.680000 14.0070 0
+ 443 A 14 GUA H21 2 0.320000 1.0080 0
+ 444 A 14 GUA H22 2 0.350000 1.0080 0
+ 445 A 14 GUA N3 60 -0.740000 14.0070 0
+ 446 A 14 GUA C2 23 0.750000 12.0110 0
+ 447 A 14 GUA N1 56 -0.340000 14.0070 0
+ 448 A 14 GUA H1 3 0.260000 1.0080 0
+ 449 A 14 GUA C6 20 0.540000 12.0110 0
+ 450 A 14 GUA O6 71 -0.510000 15.9994 0
+ 451 A 14 GUA C5 32 0.000000 12.0110 0
+ 452 A 14 GUA N7 61 -0.600000 14.0070 0
+ 453 A 14 GUA C8 30 0.250000 12.0110 0
+ 454 A 14 GUA H8 4 0.160000 1.0080 0
+ 455 A 14 GUA C2' 34 0.140000 12.0110 0
+ 456 A 14 GUA H2'' 11 0.090000 1.0080 0
+ 457 A 14 GUA O2' 76 -0.660000 15.9994 0
+ 458 A 14 GUA H2' 9 0.430000 1.0080 0
+ 459 A 14 GUA C3' 33 0.010000 12.0110 0
+ 460 A 14 GUA H3' 11 0.090000 1.0080 0
+ 461 A 14 GUA O3' 73 -0.570000 15.9994 0
+ 462 A 15 ADE P 82 1.500000 30.9740 0
+ 463 A 15 ADE O1P 74 -0.780000 15.9994 0
+ 464 A 15 ADE O2P 74 -0.780000 15.9994 0
+ 465 A 15 ADE O5' 73 -0.570000 15.9994 0
+ 466 A 15 ADE C5' 38 -0.080000 12.0110 0
+ 467 A 15 ADE H5' 12 0.090000 1.0080 0
+ 468 A 15 ADE H5'' 12 0.090000 1.0080 0
+ 469 A 15 ADE C4' 33 0.160000 12.0110 0
+ 470 A 15 ADE H4' 11 0.090000 1.0080 0
+ 471 A 15 ADE O4' 78 -0.500000 15.9994 0
+ 472 A 15 ADE C1' 34 0.160000 12.0110 0
+ 473 A 15 ADE H1' 11 0.090000 1.0080 0
+ 474 A 15 ADE N9 52 -0.050000 14.0070 0
+ 475 A 15 ADE C5 31 0.280000 12.0110 0
+ 476 A 15 ADE N7 61 -0.710000 14.0070 0
+ 477 A 15 ADE C8 30 0.340000 12.0110 0
+ 478 A 15 ADE H8 4 0.120000 1.0080 0
+ 479 A 15 ADE N1 58 -0.740000 14.0070 0
+ 480 A 15 ADE C2 30 0.500000 12.0110 0
+ 481 A 15 ADE H2 4 0.130000 1.0080 0
+ 482 A 15 ADE N3 58 -0.750000 14.0070 0
+ 483 A 15 ADE C4 31 0.430000 12.0110 0
+ 484 A 15 ADE C6 23 0.460000 12.0110 0
+ 485 A 15 ADE N6 50 -0.770000 14.0070 0
+ 486 A 15 ADE H61 2 0.380000 1.0080 0
+ 487 A 15 ADE H62 2 0.380000 1.0080 0
+ 488 A 15 ADE C2' 34 0.140000 12.0110 0
+ 489 A 15 ADE H2'' 11 0.090000 1.0080 0
+ 490 A 15 ADE O2' 76 -0.660000 15.9994 0
+ 491 A 15 ADE H2' 9 0.430000 1.0080 0
+ 492 A 15 ADE C3' 33 0.010000 12.0110 0
+ 493 A 15 ADE H3' 11 0.090000 1.0080 0
+ 494 A 15 ADE O3' 73 -0.570000 15.9994 0
+ 495 A 16 THY P 82 1.500000 30.9740 0
+ 496 A 16 THY O1P 74 -0.780000 15.9994 0
+ 497 A 16 THY O2P 74 -0.780000 15.9994 0
+ 498 A 16 THY O5' 73 -0.570000 15.9994 0
+ 499 A 16 THY C5' 38 -0.080000 12.0110 0
+ 500 A 16 THY H5' 12 0.090000 1.0080 0
+ 501 A 16 THY H5'' 12 0.090000 1.0080 0
+ 502 A 16 THY C4' 33 0.160000 12.0110 0
+ 503 A 16 THY H4' 11 0.090000 1.0080 0
+ 504 A 16 THY O4' 78 -0.500000 15.9994 0
+ 505 A 16 THY C1' 34 0.160000 12.0110 0
+ 506 A 16 THY H1' 11 0.090000 1.0080 0
+ 507 A 16 THY N1 53 -0.340000 14.0070 0
+ 508 A 16 THY C6 24 0.170000 12.0110 0
+ 509 A 16 THY H6 4 0.170000 1.0080 0
+ 510 A 16 THY C2 22 0.510000 12.0110 0
+ 511 A 16 THY O2 71 -0.410000 15.9994 0
+ 512 A 16 THY N3 55 -0.460000 14.0070 0
+ 513 A 16 THY H3 3 0.360000 1.0080 0
+ 514 A 16 THY C4 20 0.500000 12.0110 0
+ 515 A 16 THY O4 71 -0.450000 15.9994 0
+ 516 A 16 THY C5 29 -0.150000 12.0110 0
+ 517 A 16 THY C5M 39 -0.110000 12.0110 0
+ 518 A 16 THY H51 13 0.070000 1.0080 0
+ 519 A 16 THY H52 13 0.070000 1.0080 0
+ 520 A 16 THY H53 13 0.070000 1.0080 0
+ 521 A 16 THY C2' 34 0.140000 12.0110 0
+ 522 A 16 THY H2'' 11 0.090000 1.0080 0
+ 523 A 16 THY O2' 76 -0.660000 15.9994 0
+ 524 A 16 THY H2' 9 0.430000 1.0080 0
+ 525 A 16 THY C3' 33 0.010000 12.0110 0
+ 526 A 16 THY H3' 11 0.090000 1.0080 0
+ 527 A 16 THY O3' 73 -0.570000 15.9994 0
+
+ 566 !NBOND: bonds
+ 1 2 1 3 1 4 4 5
+ 5 8 5 6 5 7 8 10
+ 8 31 8 9 10 11 11 13
+ 11 27 11 12 13 22 13 16
+ 14 15 15 16 16 17 18 23
+ 19 18 19 20 19 21 22 21
+ 22 14 23 24 23 14 24 25
+ 24 26 27 31 27 29 27 28
+ 29 30 31 33 31 32 33 34
+ 34 35 34 36 34 37 37 38
+ 38 41 38 39 38 40 41 43
+ 41 64 41 42 43 44 44 46
+ 44 60 44 45 46 49 46 47
+ 47 48 49 51 49 50 51 52
+ 51 53 53 55 53 54 55 56
+ 55 47 56 57 56 58 56 59
+ 60 64 60 62 60 61 62 63
+ 64 66 64 65 66 67 67 68
+ 67 69 67 70 70 71 71 74
+ 71 72 71 73 74 76 74 95
+ 74 75 76 77 77 79 77 91
+ 77 78 79 84 79 80 80 81
+ 82 83 82 80 84 86 84 85
+ 86 87 87 88 87 82 88 89
+ 88 90 91 95 91 93 91 92
+ 93 94 95 97 95 96 97 98
+ 98 99 98 100 98 101 101 102
+ 102 105 102 103 102 104 105 107
+ 105 126 105 106 107 108 108 110
+ 108 122 108 109 110 115 110 111
+ 111 112 113 114 113 111 115 117
+ 115 116 117 118 118 119 118 113
+ 119 120 119 121 122 126 122 124
+ 122 123 124 125 126 128 126 127
+ 128 129 129 130 129 131 129 132
+ 132 133 133 136 133 134 133 135
+ 136 138 136 159 136 137 138 139
+ 139 141 139 155 139 140 141 144
+ 141 142 142 143 144 146 144 145
+ 146 147 146 148 148 150 148 149
+ 150 151 150 142 151 152 151 153
+ 151 154 155 159 155 157 155 156
+ 157 158 159 161 159 160 161 162
+ 162 163 162 164 162 165 165 166
+ 166 169 166 167 166 168 169 171
+ 169 192 169 170 171 172 172 174
+ 172 188 172 173 174 183 174 177
+ 175 176 176 177 177 178 179 184
+ 180 179 180 181 180 182 183 182
+ 183 175 184 185 184 175 185 186
+ 185 187 188 192 188 190 188 189
+ 190 191 192 194 192 193 194 195
+ 195 196 195 197 195 198 198 199
+ 199 202 199 200 199 201 202 204
+ 202 226 202 203 204 205 205 207
+ 205 222 205 206 207 208 207 220
+ 208 212 208 218 209 210 209 211
+ 213 209 213 214 213 212 214 215
+ 214 216 216 218 216 217 218 219
+ 219 220 220 221 222 226 222 224
+ 222 223 224 225 226 228 226 227
+ 228 229 229 230 229 231 229 232
+ 232 233 233 236 233 234 233 235
+ 236 238 236 259 236 237 238 239
+ 239 241 239 255 239 240 241 244
+ 241 242 242 243 244 246 244 245
+ 246 247 246 248 248 250 248 249
+ 250 251 250 242 251 252 251 253
+ 251 254 255 259 255 257 255 256
+ 257 258 259 261 259 260 261 262
+ 262 263 262 264 262 265 265 266
+ 266 269 266 267 266 268 269 271
+ 269 292 269 270 271 272 272 274
+ 272 288 272 273 274 277 274 275
+ 275 276 277 279 277 278 279 280
+ 279 281 281 283 281 282 283 284
+ 283 275 284 285 284 286 284 287
+ 288 292 288 290 288 289 290 291
+ 292 294 292 293 294 295 295 296
+ 295 297 295 298 298 299 299 302
+ 299 300 299 301 302 304 302 325
+ 302 303 304 305 305 307 305 321
+ 305 306 307 316 307 310 308 309
+ 309 310 310 311 312 317 313 312
+ 313 314 313 315 316 315 316 308
+ 317 318 317 308 318 319 318 320
+ 321 325 321 323 321 322 323 324
+ 325 327 325 326 327 328 328 329
+ 328 330 328 331 331 332 332 335
+ 332 333 332 334 335 337 335 358
+ 335 336 337 338 338 340 338 354
+ 338 339 340 343 340 341 341 342
+ 343 345 343 344 345 346 345 347
+ 347 349 347 348 349 350 349 341
+ 350 351 350 352 350 353 354 358
+ 354 356 354 355 356 357 358 360
+ 358 359 360 361 361 362 361 363
+ 361 364 364 365 365 368 365 366
+ 365 367 368 370 368 391 368 369
+ 370 371 371 373 371 387 371 372
+ 373 382 373 376 374 375 375 376
+ 376 377 378 383 379 378 379 380
+ 379 381 382 381 382 374 383 384
+ 383 374 384 385 384 386 387 391
+ 387 389 387 388 389 390 391 393
+ 391 392 393 394 394 395 394 396
+ 394 397 397 398 398 401 398 399
+ 398 400 401 403 401 425 401 402
+ 403 404 404 406 404 421 404 405
+ 406 407 406 419 407 411 407 417
+ 408 409 408 410 412 408 412 413
+ 412 411 413 414 413 415 415 417
+ 415 416 417 418 418 419 419 420
+ 421 425 421 423 421 422 423 424
+ 425 427 425 426 427 428 428 429
+ 428 430 428 431 431 432 432 435
+ 432 433 432 434 435 437 435 459
+ 435 436 437 438 438 440 438 455
+ 438 439 440 441 440 453 441 445
+ 441 451 442 443 442 444 446 442
+ 446 447 446 445 447 448 447 449
+ 449 451 449 450 451 452 452 453
+ 453 454 455 459 455 457 455 456
+ 457 458 459 461 459 460 461 462
+ 462 463 462 464 462 465 465 466
+ 466 469 466 467 466 468 469 471
+ 469 492 469 470 471 472 472 474
+ 472 488 472 473 474 483 474 477
+ 475 476 476 477 477 478 479 484
+ 480 479 480 481 480 482 483 482
+ 483 475 484 485 484 475 485 486
+ 485 487 488 492 488 490 488 489
+ 490 491 492 494 492 493 494 495
+ 495 496 495 497 495 498 498 499
+ 499 502 499 500 499 501 502 504
+ 502 525 502 503 504 505 505 507
+ 505 521 505 506 507 510 507 508
+ 508 509 510 512 510 511 512 513
+ 512 514 514 516 514 515 516 517
+ 516 508 517 518 517 519 517 520
+ 521 525 521 523 521 522 523 524
+ 525 527 525 526
+
+ 1016 !NTHETA: angles
+ 1 4 5 2 1 4 2 1 3
+ 3 1 4 4 5 7 4 5 6
+ 4 5 8 5 8 9 5 8 31
+ 5 8 10 6 5 7 8 31 32
+ 8 31 33 8 31 27 8 10 11
+ 8 5 7 8 5 6 10 11 12
+ 10 11 27 10 11 13 10 8 9
+ 10 8 31 11 27 28 11 27 29
+ 11 27 31 11 13 16 11 13 22
+ 13 22 14 13 22 21 13 16 15
+ 13 16 17 13 11 12 13 11 27
+ 14 23 18 14 15 16 15 14 22
+ 17 16 15 18 19 21 18 19 20
+ 19 18 23 20 19 21 21 22 14
+ 22 21 19 22 13 16 23 24 26
+ 23 24 25 23 14 22 23 14 15
+ 24 23 18 24 23 14 25 24 26
+ 27 31 32 27 31 33 27 29 30
+ 27 11 12 29 27 28 31 33 34
+ 31 27 28 31 27 29 31 8 9
+ 33 31 32 34 37 38 35 34 33
+ 35 34 37 35 34 36 36 34 33
+ 36 34 37 37 38 40 37 38 39
+ 37 38 41 37 34 33 38 41 42
+ 38 41 64 38 41 43 39 38 40
+ 41 64 65 41 64 66 41 64 60
+ 41 43 44 41 38 40 41 38 39
+ 43 44 45 43 44 60 43 44 46
+ 43 41 42 43 41 64 44 60 61
+ 44 60 62 44 60 64 44 46 47
+ 44 46 49 46 49 50 46 49 51
+ 46 47 55 46 47 48 46 44 45
+ 46 44 60 48 47 55 49 51 53
+ 49 51 52 49 46 47 51 53 54
+ 51 53 55 51 49 50 52 51 53
+ 53 55 47 53 55 56 55 56 59
+ 55 56 58 55 56 57 55 53 54
+ 56 55 47 57 56 59 57 56 58
+ 58 56 59 60 64 65 60 64 66
+ 60 62 63 60 44 45 62 60 61
+ 64 66 67 64 60 61 64 60 62
+ 64 41 42 66 64 65 67 70 71
+ 68 67 66 68 67 70 68 67 69
+ 69 67 66 69 67 70 70 71 73
+ 70 71 72 70 71 74 70 67 66
+ 71 74 75 71 74 95 71 74 76
+ 72 71 73 74 95 96 74 95 97
+ 74 95 91 74 76 77 74 71 73
+ 74 71 72 76 77 78 76 77 91
+ 76 77 79 76 74 75 76 74 95
+ 77 91 92 77 91 93 77 91 95
+ 77 79 80 77 79 84 79 84 85
+ 79 84 86 79 80 82 79 80 81
+ 79 77 78 79 77 91 81 80 82
+ 82 87 86 83 82 80 84 86 87
+ 84 79 80 86 84 85 87 88 90
+ 87 88 89 87 82 80 87 82 83
+ 88 87 86 88 87 82 89 88 90
+ 91 95 96 91 95 97 91 93 94
+ 91 77 78 93 91 92 95 97 98
+ 95 91 92 95 91 93 95 74 75
+ 97 95 96 98 101 102 99 98 97
+ 99 98 101 99 98 100 100 98 97
+ 100 98 101 101 102 104 101 102 103
+ 101 102 105 101 98 97 102 105 106
+ 102 105 126 102 105 107 103 102 104
+ 105 126 127 105 126 128 105 126 122
+ 105 107 108 105 102 104 105 102 103
+ 107 108 109 107 108 122 107 108 110
+ 107 105 106 107 105 126 108 122 123
+ 108 122 124 108 122 126 108 110 111
+ 108 110 115 110 115 116 110 115 117
+ 110 111 113 110 111 112 110 108 109
+ 110 108 122 112 111 113 113 118 117
+ 114 113 111 115 117 118 115 110 111
+ 117 115 116 118 119 121 118 119 120
+ 118 113 111 118 113 114 119 118 117
+ 119 118 113 120 119 121 122 126 127
+ 122 126 128 122 124 125 122 108 109
+ 124 122 123 126 128 129 126 122 123
+ 126 122 124 126 105 106 128 126 127
+ 129 132 133 130 129 128 130 129 132
+ 130 129 131 131 129 128 131 129 132
+ 132 133 135 132 133 134 132 133 136
+ 132 129 128 133 136 137 133 136 159
+ 133 136 138 134 133 135 136 159 160
+ 136 159 161 136 159 155 136 138 139
+ 136 133 135 136 133 134 138 139 140
+ 138 139 155 138 139 141 138 136 137
+ 138 136 159 139 155 156 139 155 157
+ 139 155 159 139 141 142 139 141 144
+ 141 144 145 141 144 146 141 142 150
+ 141 142 143 141 139 140 141 139 155
+ 143 142 150 144 146 148 144 146 147
+ 144 141 142 146 148 149 146 148 150
+ 146 144 145 147 146 148 148 150 142
+ 148 150 151 150 151 154 150 151 153
+ 150 151 152 150 148 149 151 150 142
+ 152 151 154 152 151 153 153 151 154
+ 155 159 160 155 159 161 155 157 158
+ 155 139 140 157 155 156 159 161 162
+ 159 155 156 159 155 157 159 136 137
+ 161 159 160 162 165 166 163 162 161
+ 163 162 165 163 162 164 164 162 161
+ 164 162 165 165 166 168 165 166 167
+ 165 166 169 165 162 161 166 169 170
+ 166 169 192 166 169 171 167 166 168
+ 169 192 193 169 192 194 169 192 188
+ 169 171 172 169 166 168 169 166 167
+ 171 172 173 171 172 188 171 172 174
+ 171 169 170 171 169 192 172 188 189
+ 172 188 190 172 188 192 172 174 177
+ 172 174 183 174 183 175 174 183 182
+ 174 177 176 174 177 178 174 172 173
+ 174 172 188 175 184 179 175 176 177
+ 176 175 183 178 177 176 179 180 182
+ 179 180 181 180 179 184 181 180 182
+ 182 183 175 183 182 180 183 174 177
+ 184 185 187 184 185 186 184 175 183
+ 184 175 176 185 184 179 185 184 175
+ 186 185 187 188 192 193 188 192 194
+ 188 190 191 188 172 173 190 188 189
+ 192 194 195 192 188 189 192 188 190
+ 192 169 170 194 192 193 195 198 199
+ 196 195 194 196 195 198 196 195 197
+ 197 195 194 197 195 198 198 199 201
+ 198 199 200 198 199 202 198 195 194
+ 199 202 203 199 202 226 199 202 204
+ 200 199 201 202 226 227 202 226 228
+ 202 226 222 202 204 205 202 199 201
+ 202 199 200 204 205 206 204 205 222
+ 204 205 207 204 202 203 204 202 226
+ 205 222 223 205 222 224 205 222 226
+ 205 207 220 205 207 208 207 220 219
+ 207 220 221 207 208 218 207 208 212
+ 207 205 206 207 205 222 208 212 213
+ 208 207 220 209 213 212 209 213 214
+ 210 209 211 212 208 218 213 214 216
+ 213 214 215 213 209 211 213 209 210
+ 214 216 217 214 216 218 214 213 212
+ 215 214 216 216 218 208 216 218 219
+ 218 219 220 218 216 217 219 218 208
+ 221 220 219 222 226 227 222 226 228
+ 222 224 225 222 205 206 224 222 223
+ 226 228 229 226 222 223 226 222 224
+ 226 202 203 228 226 227 229 232 233
+ 230 229 228 230 229 232 230 229 231
+ 231 229 228 231 229 232 232 233 235
+ 232 233 234 232 233 236 232 229 228
+ 233 236 237 233 236 259 233 236 238
+ 234 233 235 236 259 260 236 259 261
+ 236 259 255 236 238 239 236 233 235
+ 236 233 234 238 239 240 238 239 255
+ 238 239 241 238 236 237 238 236 259
+ 239 255 256 239 255 257 239 255 259
+ 239 241 242 239 241 244 241 244 245
+ 241 244 246 241 242 250 241 242 243
+ 241 239 240 241 239 255 243 242 250
+ 244 246 248 244 246 247 244 241 242
+ 246 248 249 246 248 250 246 244 245
+ 247 246 248 248 250 242 248 250 251
+ 250 251 254 250 251 253 250 251 252
+ 250 248 249 251 250 242 252 251 254
+ 252 251 253 253 251 254 255 259 260
+ 255 259 261 255 257 258 255 239 240
+ 257 255 256 259 261 262 259 255 256
+ 259 255 257 259 236 237 261 259 260
+ 262 265 266 263 262 261 263 262 265
+ 263 262 264 264 262 261 264 262 265
+ 265 266 268 265 266 267 265 266 269
+ 265 262 261 266 269 270 266 269 292
+ 266 269 271 267 266 268 269 292 293
+ 269 292 294 269 292 288 269 271 272
+ 269 266 268 269 266 267 271 272 273
+ 271 272 288 271 272 274 271 269 270
+ 271 269 292 272 288 289 272 288 290
+ 272 288 292 272 274 275 272 274 277
+ 274 277 278 274 277 279 274 275 283
+ 274 275 276 274 272 273 274 272 288
+ 276 275 283 277 279 281 277 279 280
+ 277 274 275 279 281 282 279 281 283
+ 279 277 278 280 279 281 281 283 275
+ 281 283 284 283 284 287 283 284 286
+ 283 284 285 283 281 282 284 283 275
+ 285 284 287 285 284 286 286 284 287
+ 288 292 293 288 292 294 288 290 291
+ 288 272 273 290 288 289 292 294 295
+ 292 288 289 292 288 290 292 269 270
+ 294 292 293 295 298 299 296 295 294
+ 296 295 298 296 295 297 297 295 294
+ 297 295 298 298 299 301 298 299 300
+ 298 299 302 298 295 294 299 302 303
+ 299 302 325 299 302 304 300 299 301
+ 302 325 326 302 325 327 302 325 321
+ 302 304 305 302 299 301 302 299 300
+ 304 305 306 304 305 321 304 305 307
+ 304 302 303 304 302 325 305 321 322
+ 305 321 323 305 321 325 305 307 310
+ 305 307 316 307 316 308 307 316 315
+ 307 310 309 307 310 311 307 305 306
+ 307 305 321 308 317 312 308 309 310
+ 309 308 316 311 310 309 312 313 315
+ 312 313 314 313 312 317 314 313 315
+ 315 316 308 316 315 313 316 307 310
+ 317 318 320 317 318 319 317 308 316
+ 317 308 309 318 317 312 318 317 308
+ 319 318 320 321 325 326 321 325 327
+ 321 323 324 321 305 306 323 321 322
+ 325 327 328 325 321 322 325 321 323
+ 325 302 303 327 325 326 328 331 332
+ 329 328 327 329 328 331 329 328 330
+ 330 328 327 330 328 331 331 332 334
+ 331 332 333 331 332 335 331 328 327
+ 332 335 336 332 335 358 332 335 337
+ 333 332 334 335 358 359 335 358 360
+ 335 358 354 335 337 338 335 332 334
+ 335 332 333 337 338 339 337 338 354
+ 337 338 340 337 335 336 337 335 358
+ 338 354 355 338 354 356 338 354 358
+ 338 340 341 338 340 343 340 343 344
+ 340 343 345 340 341 349 340 341 342
+ 340 338 339 340 338 354 342 341 349
+ 343 345 347 343 345 346 343 340 341
+ 345 347 348 345 347 349 345 343 344
+ 346 345 347 347 349 341 347 349 350
+ 349 350 353 349 350 352 349 350 351
+ 349 347 348 350 349 341 351 350 353
+ 351 350 352 352 350 353 354 358 359
+ 354 358 360 354 356 357 354 338 339
+ 356 354 355 358 360 361 358 354 355
+ 358 354 356 358 335 336 360 358 359
+ 361 364 365 362 361 360 362 361 364
+ 362 361 363 363 361 360 363 361 364
+ 364 365 367 364 365 366 364 365 368
+ 364 361 360 365 368 369 365 368 391
+ 365 368 370 366 365 367 368 391 392
+ 368 391 393 368 391 387 368 370 371
+ 368 365 367 368 365 366 370 371 372
+ 370 371 387 370 371 373 370 368 369
+ 370 368 391 371 387 388 371 387 389
+ 371 387 391 371 373 376 371 373 382
+ 373 382 374 373 382 381 373 376 375
+ 373 376 377 373 371 372 373 371 387
+ 374 383 378 374 375 376 375 374 382
+ 377 376 375 378 379 381 378 379 380
+ 379 378 383 380 379 381 381 382 374
+ 382 381 379 382 373 376 383 384 386
+ 383 384 385 383 374 382 383 374 375
+ 384 383 378 384 383 374 385 384 386
+ 387 391 392 387 391 393 387 389 390
+ 387 371 372 389 387 388 391 393 394
+ 391 387 388 391 387 389 391 368 369
+ 393 391 392 394 397 398 395 394 393
+ 395 394 397 395 394 396 396 394 393
+ 396 394 397 397 398 400 397 398 399
+ 397 398 401 397 394 393 398 401 402
+ 398 401 425 398 401 403 399 398 400
+ 401 425 426 401 425 427 401 425 421
+ 401 403 404 401 398 400 401 398 399
+ 403 404 405 403 404 421 403 404 406
+ 403 401 402 403 401 425 404 421 422
+ 404 421 423 404 421 425 404 406 419
+ 404 406 407 406 419 418 406 419 420
+ 406 407 417 406 407 411 406 404 405
+ 406 404 421 407 411 412 407 406 419
+ 408 412 411 408 412 413 409 408 410
+ 411 407 417 412 413 415 412 413 414
+ 412 408 410 412 408 409 413 415 416
+ 413 415 417 413 412 411 414 413 415
+ 415 417 407 415 417 418 417 418 419
+ 417 415 416 418 417 407 420 419 418
+ 421 425 426 421 425 427 421 423 424
+ 421 404 405 423 421 422 425 427 428
+ 425 421 422 425 421 423 425 401 402
+ 427 425 426 428 431 432 429 428 427
+ 429 428 431 429 428 430 430 428 427
+ 430 428 431 431 432 434 431 432 433
+ 431 432 435 431 428 427 432 435 436
+ 432 435 459 432 435 437 433 432 434
+ 435 459 460 435 459 461 435 459 455
+ 435 437 438 435 432 434 435 432 433
+ 437 438 439 437 438 455 437 438 440
+ 437 435 436 437 435 459 438 455 456
+ 438 455 457 438 455 459 438 440 453
+ 438 440 441 440 453 452 440 453 454
+ 440 441 451 440 441 445 440 438 439
+ 440 438 455 441 445 446 441 440 453
+ 442 446 445 442 446 447 443 442 444
+ 445 441 451 446 447 449 446 447 448
+ 446 442 444 446 442 443 447 449 450
+ 447 449 451 447 446 445 448 447 449
+ 449 451 441 449 451 452 451 452 453
+ 451 449 450 452 451 441 454 453 452
+ 455 459 460 455 459 461 455 457 458
+ 455 438 439 457 455 456 459 461 462
+ 459 455 456 459 455 457 459 435 436
+ 461 459 460 462 465 466 463 462 461
+ 463 462 465 463 462 464 464 462 461
+ 464 462 465 465 466 468 465 466 467
+ 465 466 469 465 462 461 466 469 470
+ 466 469 492 466 469 471 467 466 468
+ 469 492 493 469 492 494 469 492 488
+ 469 471 472 469 466 468 469 466 467
+ 471 472 473 471 472 488 471 472 474
+ 471 469 470 471 469 492 472 488 489
+ 472 488 490 472 488 492 472 474 477
+ 472 474 483 474 483 475 474 483 482
+ 474 477 476 474 477 478 474 472 473
+ 474 472 488 475 484 479 475 476 477
+ 476 475 483 478 477 476 479 480 482
+ 479 480 481 480 479 484 481 480 482
+ 482 483 475 483 482 480 483 474 477
+ 484 485 487 484 485 486 484 475 483
+ 484 475 476 485 484 479 485 484 475
+ 486 485 487 488 492 493 488 492 494
+ 488 490 491 488 472 473 490 488 489
+ 492 494 495 492 488 489 492 488 490
+ 492 469 470 494 492 493 495 498 499
+ 496 495 494 496 495 498 496 495 497
+ 497 495 494 497 495 498 498 499 501
+ 498 499 500 498 499 502 498 495 494
+ 499 502 503 499 502 525 499 502 504
+ 500 499 501 502 525 526 502 525 527
+ 502 525 521 502 504 505 502 499 501
+ 502 499 500 504 505 506 504 505 521
+ 504 505 507 504 502 503 504 502 525
+ 505 521 522 505 521 523 505 521 525
+ 505 507 508 505 507 510 507 510 511
+ 507 510 512 507 508 516 507 508 509
+ 507 505 506 507 505 521 509 508 516
+ 510 512 514 510 512 513 510 507 508
+ 512 514 515 512 514 516 512 510 511
+ 513 512 514 514 516 508 514 516 517
+ 516 517 520 516 517 519 516 517 518
+ 516 514 515 517 516 508 518 517 520
+ 518 517 519 519 517 520 521 525 526
+ 521 525 527 521 523 524 521 505 506
+ 523 521 522 525 521 522 525 521 523
+ 525 502 503 527 525 526
+
+ 1497 !NPHI: dihedrals
+ 1 4 5 8 1 4 5 6
+ 1 4 5 7 2 1 4 5
+ 3 1 4 5 4 5 8 10
+ 4 5 8 31 4 5 8 9
+ 5 8 10 11 5 8 31 27
+ 5 8 31 33 5 8 31 32
+ 6 5 8 10 6 5 8 31
+ 6 5 8 9 7 5 8 10
+ 7 5 8 31 7 5 8 9
+ 8 31 27 11 8 31 27 29
+ 8 31 27 28 8 31 33 34
+ 8 10 11 13 8 10 11 27
+ 8 10 11 12 9 8 10 11
+ 9 8 31 27 9 8 31 33
+ 9 8 31 32 10 11 13 22
+ 10 11 13 16 10 11 27 31
+ 10 11 27 29 10 11 27 28
+ 10 8 31 27 10 8 31 33
+ 10 8 31 32 11 27 31 33
+ 11 27 31 32 11 27 29 30
+ 11 13 22 21 11 13 22 14
+ 11 13 16 17 11 13 16 15
+ 11 10 8 31 12 11 13 22
+ 12 11 13 16 12 11 27 31
+ 12 11 27 29 12 11 27 28
+ 13 22 21 19 13 22 14 23
+ 13 22 14 15 13 16 15 14
+ 13 11 27 31 13 11 27 29
+ 13 11 27 28 14 23 24 25
+ 14 23 24 26 14 23 18 19
+ 14 22 13 16 14 22 21 19
+ 14 15 16 17 15 16 13 22
+ 15 14 23 24 15 14 23 18
+ 15 14 22 21 16 15 14 23
+ 16 15 14 22 16 13 11 27
+ 16 13 22 21 17 16 13 22
+ 18 23 24 25 18 23 24 26
+ 18 23 14 22 18 19 21 22
+ 19 18 23 24 20 19 18 23
+ 20 19 21 22 21 22 14 23
+ 21 19 18 23 22 14 23 24
+ 22 13 11 27 27 31 33 34
+ 28 27 31 33 28 27 31 32
+ 28 27 29 30 29 27 31 33
+ 29 27 31 32 30 29 27 31
+ 31 33 34 35 31 33 34 36
+ 31 33 34 37 32 31 33 34
+ 33 34 37 38 34 37 38 41
+ 34 37 38 39 34 37 38 40
+ 35 34 37 38 36 34 37 38
+ 37 38 41 43 37 38 41 64
+ 37 38 41 42 38 41 43 44
+ 38 41 64 60 38 41 64 66
+ 38 41 64 65 39 38 41 43
+ 39 38 41 64 39 38 41 42
+ 40 38 41 43 40 38 41 64
+ 40 38 41 42 41 64 60 44
+ 41 64 60 62 41 64 60 61
+ 41 64 66 67 41 43 44 46
+ 41 43 44 60 41 43 44 45
+ 42 41 43 44 42 41 64 60
+ 42 41 64 66 42 41 64 65
+ 43 44 46 49 43 44 46 47
+ 43 44 60 64 43 44 60 62
+ 43 44 60 61 43 41 64 60
+ 43 41 64 66 43 41 64 65
+ 44 60 64 66 44 60 64 65
+ 44 60 62 63 44 46 49 51
+ 44 46 49 50 44 46 47 48
+ 44 46 47 55 44 43 41 64
+ 45 44 46 49 45 44 46 47
+ 45 44 60 64 45 44 60 62
+ 45 44 60 61 46 49 51 52
+ 46 49 51 53 46 47 55 53
+ 46 47 55 56 46 44 60 64
+ 46 44 60 62 46 44 60 61
+ 47 55 53 51 47 55 53 54
+ 47 55 56 57 47 55 56 58
+ 47 55 56 59 47 46 44 60
+ 47 46 49 51 47 46 49 50
+ 48 47 46 49 48 47 55 53
+ 48 47 55 56 49 51 53 55
+ 49 51 53 54 49 46 44 60
+ 49 46 47 55 50 49 51 52
+ 50 49 51 53 51 53 55 56
+ 52 51 53 55 52 51 53 54
+ 53 55 56 57 53 55 56 58
+ 53 55 56 59 54 53 55 56
+ 60 64 66 67 61 60 64 66
+ 61 60 64 65 61 60 62 63
+ 62 60 64 66 62 60 64 65
+ 63 62 60 64 64 66 67 68
+ 64 66 67 69 64 66 67 70
+ 65 64 66 67 66 67 70 71
+ 67 70 71 74 67 70 71 72
+ 67 70 71 73 68 67 70 71
+ 69 67 70 71 70 71 74 76
+ 70 71 74 95 70 71 74 75
+ 71 74 76 77 71 74 95 91
+ 71 74 95 97 71 74 95 96
+ 72 71 74 76 72 71 74 95
+ 72 71 74 75 73 71 74 76
+ 73 71 74 95 73 71 74 75
+ 74 95 91 77 74 95 91 93
+ 74 95 91 92 74 95 97 98
+ 74 76 77 79 74 76 77 91
+ 74 76 77 78 75 74 76 77
+ 75 74 95 91 75 74 95 97
+ 75 74 95 96 76 77 79 84
+ 76 77 79 80 76 77 91 95
+ 76 77 91 93 76 77 91 92
+ 76 74 95 91 76 74 95 97
+ 76 74 95 96 77 91 95 97
+ 77 91 95 96 77 91 93 94
+ 77 79 84 86 77 79 84 85
+ 77 79 80 81 77 79 80 82
+ 77 76 74 95 78 77 79 84
+ 78 77 79 80 78 77 91 95
+ 78 77 91 93 78 77 91 92
+ 79 84 86 87 79 80 82 87
+ 79 80 82 83 79 77 91 95
+ 79 77 91 93 79 77 91 92
+ 80 82 87 88 80 82 87 86
+ 80 79 77 91 80 79 84 86
+ 80 79 84 85 81 80 79 84
+ 81 80 82 87 81 80 82 83
+ 82 87 88 89 82 87 88 90
+ 82 87 86 84 82 80 79 84
+ 83 82 87 88 83 82 87 86
+ 84 86 87 88 84 79 77 91
+ 85 84 86 87 86 87 88 89
+ 86 87 88 90 91 95 97 98
+ 92 91 95 97 92 91 95 96
+ 92 91 93 94 93 91 95 97
+ 93 91 95 96 94 93 91 95
+ 95 97 98 99 95 97 98 100
+ 95 97 98 101 96 95 97 98
+ 97 98 101 102 98 101 102 105
+ 98 101 102 103 98 101 102 104
+ 99 98 101 102 100 98 101 102
+ 101 102 105 107 101 102 105 126
+ 101 102 105 106 102 105 107 108
+ 102 105 126 122 102 105 126 128
+ 102 105 126 127 103 102 105 107
+ 103 102 105 126 103 102 105 106
+ 104 102 105 107 104 102 105 126
+ 104 102 105 106 105 126 122 108
+ 105 126 122 124 105 126 122 123
+ 105 126 128 129 105 107 108 110
+ 105 107 108 122 105 107 108 109
+ 106 105 107 108 106 105 126 122
+ 106 105 126 128 106 105 126 127
+ 107 108 110 115 107 108 110 111
+ 107 108 122 126 107 108 122 124
+ 107 108 122 123 107 105 126 122
+ 107 105 126 128 107 105 126 127
+ 108 122 126 128 108 122 126 127
+ 108 122 124 125 108 110 115 117
+ 108 110 115 116 108 110 111 112
+ 108 110 111 113 108 107 105 126
+ 109 108 110 115 109 108 110 111
+ 109 108 122 126 109 108 122 124
+ 109 108 122 123 110 115 117 118
+ 110 111 113 118 110 111 113 114
+ 110 108 122 126 110 108 122 124
+ 110 108 122 123 111 113 118 119
+ 111 113 118 117 111 110 108 122
+ 111 110 115 117 111 110 115 116
+ 112 111 110 115 112 111 113 118
+ 112 111 113 114 113 118 119 120
+ 113 118 119 121 113 118 117 115
+ 113 111 110 115 114 113 118 119
+ 114 113 118 117 115 117 118 119
+ 115 110 108 122 116 115 117 118
+ 117 118 119 120 117 118 119 121
+ 122 126 128 129 123 122 126 128
+ 123 122 126 127 123 122 124 125
+ 124 122 126 128 124 122 126 127
+ 125 124 122 126 126 128 129 130
+ 126 128 129 131 126 128 129 132
+ 127 126 128 129 128 129 132 133
+ 129 132 133 136 129 132 133 134
+ 129 132 133 135 130 129 132 133
+ 131 129 132 133 132 133 136 138
+ 132 133 136 159 132 133 136 137
+ 133 136 138 139 133 136 159 155
+ 133 136 159 161 133 136 159 160
+ 134 133 136 138 134 133 136 159
+ 134 133 136 137 135 133 136 138
+ 135 133 136 159 135 133 136 137
+ 136 159 155 139 136 159 155 157
+ 136 159 155 156 136 159 161 162
+ 136 138 139 141 136 138 139 155
+ 136 138 139 140 137 136 138 139
+ 137 136 159 155 137 136 159 161
+ 137 136 159 160 138 139 141 144
+ 138 139 141 142 138 139 155 159
+ 138 139 155 157 138 139 155 156
+ 138 136 159 155 138 136 159 161
+ 138 136 159 160 139 155 159 161
+ 139 155 159 160 139 155 157 158
+ 139 141 144 146 139 141 144 145
+ 139 141 142 143 139 141 142 150
+ 139 138 136 159 140 139 141 144
+ 140 139 141 142 140 139 155 159
+ 140 139 155 157 140 139 155 156
+ 141 144 146 147 141 144 146 148
+ 141 142 150 148 141 142 150 151
+ 141 139 155 159 141 139 155 157
+ 141 139 155 156 142 150 148 146
+ 142 150 148 149 142 150 151 152
+ 142 150 151 153 142 150 151 154
+ 142 141 139 155 142 141 144 146
+ 142 141 144 145 143 142 141 144
+ 143 142 150 148 143 142 150 151
+ 144 146 148 150 144 146 148 149
+ 144 141 139 155 144 141 142 150
+ 145 144 146 147 145 144 146 148
+ 146 148 150 151 147 146 148 150
+ 147 146 148 149 148 150 151 152
+ 148 150 151 153 148 150 151 154
+ 149 148 150 151 155 159 161 162
+ 156 155 159 161 156 155 159 160
+ 156 155 157 158 157 155 159 161
+ 157 155 159 160 158 157 155 159
+ 159 161 162 163 159 161 162 164
+ 159 161 162 165 160 159 161 162
+ 161 162 165 166 162 165 166 169
+ 162 165 166 167 162 165 166 168
+ 163 162 165 166 164 162 165 166
+ 165 166 169 171 165 166 169 192
+ 165 166 169 170 166 169 171 172
+ 166 169 192 188 166 169 192 194
+ 166 169 192 193 167 166 169 171
+ 167 166 169 192 167 166 169 170
+ 168 166 169 171 168 166 169 192
+ 168 166 169 170 169 192 188 172
+ 169 192 188 190 169 192 188 189
+ 169 192 194 195 169 171 172 174
+ 169 171 172 188 169 171 172 173
+ 170 169 171 172 170 169 192 188
+ 170 169 192 194 170 169 192 193
+ 171 172 174 183 171 172 174 177
+ 171 172 188 192 171 172 188 190
+ 171 172 188 189 171 169 192 188
+ 171 169 192 194 171 169 192 193
+ 172 188 192 194 172 188 192 193
+ 172 188 190 191 172 174 183 182
+ 172 174 183 175 172 174 177 178
+ 172 174 177 176 172 171 169 192
+ 173 172 174 183 173 172 174 177
+ 173 172 188 192 173 172 188 190
+ 173 172 188 189 174 183 182 180
+ 174 183 175 184 174 183 175 176
+ 174 177 176 175 174 172 188 192
+ 174 172 188 190 174 172 188 189
+ 175 184 185 186 175 184 185 187
+ 175 184 179 180 175 183 174 177
+ 175 183 182 180 175 176 177 178
+ 176 177 174 183 176 175 184 185
+ 176 175 184 179 176 175 183 182
+ 177 176 175 184 177 176 175 183
+ 177 174 172 188 177 174 183 182
+ 178 177 174 183 179 184 185 186
+ 179 184 185 187 179 184 175 183
+ 179 180 182 183 180 179 184 185
+ 181 180 179 184 181 180 182 183
+ 182 183 175 184 182 180 179 184
+ 183 175 184 185 183 174 172 188
+ 188 192 194 195 189 188 192 194
+ 189 188 192 193 189 188 190 191
+ 190 188 192 194 190 188 192 193
+ 191 190 188 192 192 194 195 196
+ 192 194 195 197 192 194 195 198
+ 193 192 194 195 194 195 198 199
+ 195 198 199 202 195 198 199 200
+ 195 198 199 201 196 195 198 199
+ 197 195 198 199 198 199 202 204
+ 198 199 202 226 198 199 202 203
+ 199 202 204 205 199 202 226 222
+ 199 202 226 228 199 202 226 227
+ 200 199 202 204 200 199 202 226
+ 200 199 202 203 201 199 202 204
+ 201 199 202 226 201 199 202 203
+ 202 226 222 205 202 226 222 224
+ 202 226 222 223 202 226 228 229
+ 202 204 205 207 202 204 205 222
+ 202 204 205 206 203 202 204 205
+ 203 202 226 222 203 202 226 228
+ 203 202 226 227 204 205 207 208
+ 204 205 207 220 204 205 222 226
+ 204 205 222 224 204 205 222 223
+ 204 202 226 222 204 202 226 228
+ 204 202 226 227 205 222 226 228
+ 205 222 226 227 205 222 224 225
+ 205 207 208 212 205 207 208 218
+ 205 207 220 221 205 207 220 219
+ 205 204 202 226 206 205 207 208
+ 206 205 207 220 206 205 222 226
+ 206 205 222 224 206 205 222 223
+ 207 220 219 218 207 208 212 213
+ 207 208 218 216 207 208 218 219
+ 207 205 222 226 207 205 222 224
+ 207 205 222 223 208 218 216 214
+ 208 218 216 217 208 218 219 220
+ 208 212 213 209 208 212 213 214
+ 208 207 205 222 208 207 220 221
+ 208 207 220 219 209 213 214 215
+ 209 213 214 216 210 209 213 214
+ 210 209 213 212 211 209 213 214
+ 211 209 213 212 212 213 214 215
+ 212 213 214 216 212 208 207 220
+ 212 208 218 216 212 208 218 219
+ 213 214 216 218 213 214 216 217
+ 213 212 208 218 214 216 218 219
+ 215 214 216 218 215 214 216 217
+ 216 218 219 220 217 216 218 219
+ 218 219 220 221 218 208 207 220
+ 220 207 205 222 222 226 228 229
+ 223 222 226 228 223 222 226 227
+ 223 222 224 225 224 222 226 228
+ 224 222 226 227 225 224 222 226
+ 226 228 229 230 226 228 229 231
+ 226 228 229 232 227 226 228 229
+ 228 229 232 233 229 232 233 236
+ 229 232 233 234 229 232 233 235
+ 230 229 232 233 231 229 232 233
+ 232 233 236 238 232 233 236 259
+ 232 233 236 237 233 236 238 239
+ 233 236 259 255 233 236 259 261
+ 233 236 259 260 234 233 236 238
+ 234 233 236 259 234 233 236 237
+ 235 233 236 238 235 233 236 259
+ 235 233 236 237 236 259 255 239
+ 236 259 255 257 236 259 255 256
+ 236 259 261 262 236 238 239 241
+ 236 238 239 255 236 238 239 240
+ 237 236 238 239 237 236 259 255
+ 237 236 259 261 237 236 259 260
+ 238 239 241 244 238 239 241 242
+ 238 239 255 259 238 239 255 257
+ 238 239 255 256 238 236 259 255
+ 238 236 259 261 238 236 259 260
+ 239 255 259 261 239 255 259 260
+ 239 255 257 258 239 241 244 246
+ 239 241 244 245 239 241 242 243
+ 239 241 242 250 239 238 236 259
+ 240 239 241 244 240 239 241 242
+ 240 239 255 259 240 239 255 257
+ 240 239 255 256 241 244 246 247
+ 241 244 246 248 241 242 250 248
+ 241 242 250 251 241 239 255 259
+ 241 239 255 257 241 239 255 256
+ 242 250 248 246 242 250 248 249
+ 242 250 251 252 242 250 251 253
+ 242 250 251 254 242 241 239 255
+ 242 241 244 246 242 241 244 245
+ 243 242 241 244 243 242 250 248
+ 243 242 250 251 244 246 248 250
+ 244 246 248 249 244 241 239 255
+ 244 241 242 250 245 244 246 247
+ 245 244 246 248 246 248 250 251
+ 247 246 248 250 247 246 248 249
+ 248 250 251 252 248 250 251 253
+ 248 250 251 254 249 248 250 251
+ 255 259 261 262 256 255 259 261
+ 256 255 259 260 256 255 257 258
+ 257 255 259 261 257 255 259 260
+ 258 257 255 259 259 261 262 263
+ 259 261 262 264 259 261 262 265
+ 260 259 261 262 261 262 265 266
+ 262 265 266 269 262 265 266 267
+ 262 265 266 268 263 262 265 266
+ 264 262 265 266 265 266 269 271
+ 265 266 269 292 265 266 269 270
+ 266 269 271 272 266 269 292 288
+ 266 269 292 294 266 269 292 293
+ 267 266 269 271 267 266 269 292
+ 267 266 269 270 268 266 269 271
+ 268 266 269 292 268 266 269 270
+ 269 292 288 272 269 292 288 290
+ 269 292 288 289 269 292 294 295
+ 269 271 272 274 269 271 272 288
+ 269 271 272 273 270 269 271 272
+ 270 269 292 288 270 269 292 294
+ 270 269 292 293 271 272 274 277
+ 271 272 274 275 271 272 288 292
+ 271 272 288 290 271 272 288 289
+ 271 269 292 288 271 269 292 294
+ 271 269 292 293 272 288 292 294
+ 272 288 292 293 272 288 290 291
+ 272 274 277 279 272 274 277 278
+ 272 274 275 276 272 274 275 283
+ 272 271 269 292 273 272 274 277
+ 273 272 274 275 273 272 288 292
+ 273 272 288 290 273 272 288 289
+ 274 277 279 280 274 277 279 281
+ 274 275 283 281 274 275 283 284
+ 274 272 288 292 274 272 288 290
+ 274 272 288 289 275 283 281 279
+ 275 283 281 282 275 283 284 285
+ 275 283 284 286 275 283 284 287
+ 275 274 272 288 275 274 277 279
+ 275 274 277 278 276 275 274 277
+ 276 275 283 281 276 275 283 284
+ 277 279 281 283 277 279 281 282
+ 277 274 272 288 277 274 275 283
+ 278 277 279 280 278 277 279 281
+ 279 281 283 284 280 279 281 283
+ 280 279 281 282 281 283 284 285
+ 281 283 284 286 281 283 284 287
+ 282 281 283 284 288 292 294 295
+ 289 288 292 294 289 288 292 293
+ 289 288 290 291 290 288 292 294
+ 290 288 292 293 291 290 288 292
+ 292 294 295 296 292 294 295 297
+ 292 294 295 298 293 292 294 295
+ 294 295 298 299 295 298 299 302
+ 295 298 299 300 295 298 299 301
+ 296 295 298 299 297 295 298 299
+ 298 299 302 304 298 299 302 325
+ 298 299 302 303 299 302 304 305
+ 299 302 325 321 299 302 325 327
+ 299 302 325 326 300 299 302 304
+ 300 299 302 325 300 299 302 303
+ 301 299 302 304 301 299 302 325
+ 301 299 302 303 302 325 321 305
+ 302 325 321 323 302 325 321 322
+ 302 325 327 328 302 304 305 307
+ 302 304 305 321 302 304 305 306
+ 303 302 304 305 303 302 325 321
+ 303 302 325 327 303 302 325 326
+ 304 305 307 316 304 305 307 310
+ 304 305 321 325 304 305 321 323
+ 304 305 321 322 304 302 325 321
+ 304 302 325 327 304 302 325 326
+ 305 321 325 327 305 321 325 326
+ 305 321 323 324 305 307 316 315
+ 305 307 316 308 305 307 310 311
+ 305 307 310 309 305 304 302 325
+ 306 305 307 316 306 305 307 310
+ 306 305 321 325 306 305 321 323
+ 306 305 321 322 307 316 315 313
+ 307 316 308 317 307 316 308 309
+ 307 310 309 308 307 305 321 325
+ 307 305 321 323 307 305 321 322
+ 308 317 318 319 308 317 318 320
+ 308 317 312 313 308 316 307 310
+ 308 316 315 313 308 309 310 311
+ 309 310 307 316 309 308 317 318
+ 309 308 317 312 309 308 316 315
+ 310 309 308 317 310 309 308 316
+ 310 307 305 321 310 307 316 315
+ 311 310 307 316 312 317 318 319
+ 312 317 318 320 312 317 308 316
+ 312 313 315 316 313 312 317 318
+ 314 313 312 317 314 313 315 316
+ 315 316 308 317 315 313 312 317
+ 316 308 317 318 316 307 305 321
+ 321 325 327 328 322 321 325 327
+ 322 321 325 326 322 321 323 324
+ 323 321 325 327 323 321 325 326
+ 324 323 321 325 325 327 328 329
+ 325 327 328 330 325 327 328 331
+ 326 325 327 328 327 328 331 332
+ 328 331 332 335 328 331 332 333
+ 328 331 332 334 329 328 331 332
+ 330 328 331 332 331 332 335 337
+ 331 332 335 358 331 332 335 336
+ 332 335 337 338 332 335 358 354
+ 332 335 358 360 332 335 358 359
+ 333 332 335 337 333 332 335 358
+ 333 332 335 336 334 332 335 337
+ 334 332 335 358 334 332 335 336
+ 335 358 354 338 335 358 354 356
+ 335 358 354 355 335 358 360 361
+ 335 337 338 340 335 337 338 354
+ 335 337 338 339 336 335 337 338
+ 336 335 358 354 336 335 358 360
+ 336 335 358 359 337 338 340 343
+ 337 338 340 341 337 338 354 358
+ 337 338 354 356 337 338 354 355
+ 337 335 358 354 337 335 358 360
+ 337 335 358 359 338 354 358 360
+ 338 354 358 359 338 354 356 357
+ 338 340 343 345 338 340 343 344
+ 338 340 341 342 338 340 341 349
+ 338 337 335 358 339 338 340 343
+ 339 338 340 341 339 338 354 358
+ 339 338 354 356 339 338 354 355
+ 340 343 345 346 340 343 345 347
+ 340 341 349 347 340 341 349 350
+ 340 338 354 358 340 338 354 356
+ 340 338 354 355 341 349 347 345
+ 341 349 347 348 341 349 350 351
+ 341 349 350 352 341 349 350 353
+ 341 340 338 354 341 340 343 345
+ 341 340 343 344 342 341 340 343
+ 342 341 349 347 342 341 349 350
+ 343 345 347 349 343 345 347 348
+ 343 340 338 354 343 340 341 349
+ 344 343 345 346 344 343 345 347
+ 345 347 349 350 346 345 347 349
+ 346 345 347 348 347 349 350 351
+ 347 349 350 352 347 349 350 353
+ 348 347 349 350 354 358 360 361
+ 355 354 358 360 355 354 358 359
+ 355 354 356 357 356 354 358 360
+ 356 354 358 359 357 356 354 358
+ 358 360 361 362 358 360 361 363
+ 358 360 361 364 359 358 360 361
+ 360 361 364 365 361 364 365 368
+ 361 364 365 366 361 364 365 367
+ 362 361 364 365 363 361 364 365
+ 364 365 368 370 364 365 368 391
+ 364 365 368 369 365 368 370 371
+ 365 368 391 387 365 368 391 393
+ 365 368 391 392 366 365 368 370
+ 366 365 368 391 366 365 368 369
+ 367 365 368 370 367 365 368 391
+ 367 365 368 369 368 391 387 371
+ 368 391 387 389 368 391 387 388
+ 368 391 393 394 368 370 371 373
+ 368 370 371 387 368 370 371 372
+ 369 368 370 371 369 368 391 387
+ 369 368 391 393 369 368 391 392
+ 370 371 373 382 370 371 373 376
+ 370 371 387 391 370 371 387 389
+ 370 371 387 388 370 368 391 387
+ 370 368 391 393 370 368 391 392
+ 371 387 391 393 371 387 391 392
+ 371 387 389 390 371 373 382 381
+ 371 373 382 374 371 373 376 377
+ 371 373 376 375 371 370 368 391
+ 372 371 373 382 372 371 373 376
+ 372 371 387 391 372 371 387 389
+ 372 371 387 388 373 382 381 379
+ 373 382 374 383 373 382 374 375
+ 373 376 375 374 373 371 387 391
+ 373 371 387 389 373 371 387 388
+ 374 383 384 385 374 383 384 386
+ 374 383 378 379 374 382 373 376
+ 374 382 381 379 374 375 376 377
+ 375 376 373 382 375 374 383 384
+ 375 374 383 378 375 374 382 381
+ 376 375 374 383 376 375 374 382
+ 376 373 371 387 376 373 382 381
+ 377 376 373 382 378 383 384 385
+ 378 383 384 386 378 383 374 382
+ 378 379 381 382 379 378 383 384
+ 380 379 378 383 380 379 381 382
+ 381 382 374 383 381 379 378 383
+ 382 374 383 384 382 373 371 387
+ 387 391 393 394 388 387 391 393
+ 388 387 391 392 388 387 389 390
+ 389 387 391 393 389 387 391 392
+ 390 389 387 391 391 393 394 395
+ 391 393 394 396 391 393 394 397
+ 392 391 393 394 393 394 397 398
+ 394 397 398 401 394 397 398 399
+ 394 397 398 400 395 394 397 398
+ 396 394 397 398 397 398 401 403
+ 397 398 401 425 397 398 401 402
+ 398 401 403 404 398 401 425 421
+ 398 401 425 427 398 401 425 426
+ 399 398 401 403 399 398 401 425
+ 399 398 401 402 400 398 401 403
+ 400 398 401 425 400 398 401 402
+ 401 425 421 404 401 425 421 423
+ 401 425 421 422 401 425 427 428
+ 401 403 404 406 401 403 404 421
+ 401 403 404 405 402 401 403 404
+ 402 401 425 421 402 401 425 427
+ 402 401 425 426 403 404 406 407
+ 403 404 406 419 403 404 421 425
+ 403 404 421 423 403 404 421 422
+ 403 401 425 421 403 401 425 427
+ 403 401 425 426 404 421 425 427
+ 404 421 425 426 404 421 423 424
+ 404 406 407 411 404 406 407 417
+ 404 406 419 420 404 406 419 418
+ 404 403 401 425 405 404 406 407
+ 405 404 406 419 405 404 421 425
+ 405 404 421 423 405 404 421 422
+ 406 419 418 417 406 407 411 412
+ 406 407 417 415 406 407 417 418
+ 406 404 421 425 406 404 421 423
+ 406 404 421 422 407 417 415 413
+ 407 417 415 416 407 417 418 419
+ 407 411 412 408 407 411 412 413
+ 407 406 404 421 407 406 419 420
+ 407 406 419 418 408 412 413 414
+ 408 412 413 415 409 408 412 413
+ 409 408 412 411 410 408 412 413
+ 410 408 412 411 411 412 413 414
+ 411 412 413 415 411 407 406 419
+ 411 407 417 415 411 407 417 418
+ 412 413 415 417 412 413 415 416
+ 412 411 407 417 413 415 417 418
+ 414 413 415 417 414 413 415 416
+ 415 417 418 419 416 415 417 418
+ 417 418 419 420 417 407 406 419
+ 419 406 404 421 421 425 427 428
+ 422 421 425 427 422 421 425 426
+ 422 421 423 424 423 421 425 427
+ 423 421 425 426 424 423 421 425
+ 425 427 428 429 425 427 428 430
+ 425 427 428 431 426 425 427 428
+ 427 428 431 432 428 431 432 435
+ 428 431 432 433 428 431 432 434
+ 429 428 431 432 430 428 431 432
+ 431 432 435 437 431 432 435 459
+ 431 432 435 436 432 435 437 438
+ 432 435 459 455 432 435 459 461
+ 432 435 459 460 433 432 435 437
+ 433 432 435 459 433 432 435 436
+ 434 432 435 437 434 432 435 459
+ 434 432 435 436 435 459 455 438
+ 435 459 455 457 435 459 455 456
+ 435 459 461 462 435 437 438 440
+ 435 437 438 455 435 437 438 439
+ 436 435 437 438 436 435 459 455
+ 436 435 459 461 436 435 459 460
+ 437 438 440 441 437 438 440 453
+ 437 438 455 459 437 438 455 457
+ 437 438 455 456 437 435 459 455
+ 437 435 459 461 437 435 459 460
+ 438 455 459 461 438 455 459 460
+ 438 455 457 458 438 440 441 445
+ 438 440 441 451 438 440 453 454
+ 438 440 453 452 438 437 435 459
+ 439 438 440 441 439 438 440 453
+ 439 438 455 459 439 438 455 457
+ 439 438 455 456 440 453 452 451
+ 440 441 445 446 440 441 451 449
+ 440 441 451 452 440 438 455 459
+ 440 438 455 457 440 438 455 456
+ 441 451 449 447 441 451 449 450
+ 441 451 452 453 441 445 446 442
+ 441 445 446 447 441 440 438 455
+ 441 440 453 454 441 440 453 452
+ 442 446 447 448 442 446 447 449
+ 443 442 446 447 443 442 446 445
+ 444 442 446 447 444 442 446 445
+ 445 446 447 448 445 446 447 449
+ 445 441 440 453 445 441 451 449
+ 445 441 451 452 446 447 449 451
+ 446 447 449 450 446 445 441 451
+ 447 449 451 452 448 447 449 451
+ 448 447 449 450 449 451 452 453
+ 450 449 451 452 451 452 453 454
+ 451 441 440 453 453 440 438 455
+ 455 459 461 462 456 455 459 461
+ 456 455 459 460 456 455 457 458
+ 457 455 459 461 457 455 459 460
+ 458 457 455 459 459 461 462 463
+ 459 461 462 464 459 461 462 465
+ 460 459 461 462 461 462 465 466
+ 462 465 466 469 462 465 466 467
+ 462 465 466 468 463 462 465 466
+ 464 462 465 466 465 466 469 471
+ 465 466 469 492 465 466 469 470
+ 466 469 471 472 466 469 492 488
+ 466 469 492 494 466 469 492 493
+ 467 466 469 471 467 466 469 492
+ 467 466 469 470 468 466 469 471
+ 468 466 469 492 468 466 469 470
+ 469 492 488 472 469 492 488 490
+ 469 492 488 489 469 492 494 495
+ 469 471 472 474 469 471 472 488
+ 469 471 472 473 470 469 471 472
+ 470 469 492 488 470 469 492 494
+ 470 469 492 493 471 472 474 483
+ 471 472 474 477 471 472 488 492
+ 471 472 488 490 471 472 488 489
+ 471 469 492 488 471 469 492 494
+ 471 469 492 493 472 488 492 494
+ 472 488 492 493 472 488 490 491
+ 472 474 483 482 472 474 483 475
+ 472 474 477 478 472 474 477 476
+ 472 471 469 492 473 472 474 483
+ 473 472 474 477 473 472 488 492
+ 473 472 488 490 473 472 488 489
+ 474 483 482 480 474 483 475 484
+ 474 483 475 476 474 477 476 475
+ 474 472 488 492 474 472 488 490
+ 474 472 488 489 475 484 485 486
+ 475 484 485 487 475 484 479 480
+ 475 483 474 477 475 483 482 480
+ 475 476 477 478 476 477 474 483
+ 476 475 484 485 476 475 484 479
+ 476 475 483 482 477 476 475 484
+ 477 476 475 483 477 474 472 488
+ 477 474 483 482 478 477 474 483
+ 479 484 485 486 479 484 485 487
+ 479 484 475 483 479 480 482 483
+ 480 479 484 485 481 480 479 484
+ 481 480 482 483 482 483 475 484
+ 482 480 479 484 483 475 484 485
+ 483 474 472 488 488 492 494 495
+ 489 488 492 494 489 488 492 493
+ 489 488 490 491 490 488 492 494
+ 490 488 492 493 491 490 488 492
+ 492 494 495 496 492 494 495 497
+ 492 494 495 498 493 492 494 495
+ 494 495 498 499 495 498 499 502
+ 495 498 499 500 495 498 499 501
+ 496 495 498 499 497 495 498 499
+ 498 499 502 504 498 499 502 525
+ 498 499 502 503 499 502 504 505
+ 499 502 525 521 499 502 525 527
+ 499 502 525 526 500 499 502 504
+ 500 499 502 525 500 499 502 503
+ 501 499 502 504 501 499 502 525
+ 501 499 502 503 502 525 521 505
+ 502 525 521 523 502 525 521 522
+ 502 504 505 507 502 504 505 521
+ 502 504 505 506 503 502 504 505
+ 503 502 525 521 503 502 525 527
+ 503 502 525 526 504 505 507 510
+ 504 505 507 508 504 505 521 525
+ 504 505 521 523 504 505 521 522
+ 504 502 525 521 504 502 525 527
+ 504 502 525 526 505 521 525 527
+ 505 521 525 526 505 521 523 524
+ 505 507 510 512 505 507 510 511
+ 505 507 508 509 505 507 508 516
+ 505 504 502 525 506 505 507 510
+ 506 505 507 508 506 505 521 525
+ 506 505 521 523 506 505 521 522
+ 507 510 512 513 507 510 512 514
+ 507 508 516 514 507 508 516 517
+ 507 505 521 525 507 505 521 523
+ 507 505 521 522 508 516 514 512
+ 508 516 514 515 508 516 517 518
+ 508 516 517 519 508 516 517 520
+ 508 507 505 521 508 507 510 512
+ 508 507 510 511 509 508 507 510
+ 509 508 516 514 509 508 516 517
+ 510 512 514 516 510 512 514 515
+ 510 507 505 521 510 507 508 516
+ 511 510 512 513 511 510 512 514
+ 512 514 516 517 513 512 514 516
+ 513 512 514 515 514 516 517 518
+ 514 516 517 519 514 516 517 520
+ 515 514 516 517 522 521 525 527
+ 522 521 525 526 522 521 523 524
+ 523 521 525 527 523 521 525 526
+ 524 523 521 525
+
+ 43 !NIMPHI: impropers
+ 23 18 14 24 24 23 25 26
+ 49 46 51 50 53 51 55 54
+ 55 53 47 56 84 79 86 85
+ 87 86 82 88 88 87 89 90
+ 115 110 117 116 118 117 113 119
+ 119 118 120 121 144 141 146 145
+ 148 146 150 149 150 148 142 151
+ 184 179 175 185 185 184 186 187
+ 209 210 213 211 213 212 214 209
+ 216 214 218 217 244 241 246 245
+ 248 246 250 249 250 248 242 251
+ 277 274 279 278 281 279 283 282
+ 283 281 275 284 317 312 308 318
+ 318 317 319 320 343 340 345 344
+ 347 345 349 348 349 347 341 350
+ 383 378 374 384 384 383 385 386
+ 408 409 412 410 412 411 413 408
+ 415 413 417 416 442 443 446 444
+ 446 445 447 442 449 447 451 450
+ 484 479 475 485 485 484 486 487
+ 510 507 512 511 514 512 516 515
+ 516 514 508 517
+
+ 0 !NDON: donors
+
+
+ 0 !NACC: acceptors
+
+
+ 0 !NNB
+
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0 0
+ 0 0 0 0 0 0 0
+
+ 1 0 !NGRP
+ 0 0 0
+
diff --git a/tools/ch2lmp/example/1ac7_ctrl.pdb b/tools/ch2lmp/example/1ac7_ctrl.pdb
new file mode 100644
index 0000000000..5e571e3da9
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7_ctrl.pdb
@@ -0,0 +1,1973 @@
+REMARK
+REMARK CONTROL PDB 1ac7_ctrl.pdb
+REMARK CREATED BY charmm2lammps v1.6.2 ON Fri Jun 3 14:07:00 MDT 2005
+REMARK
+ATOM 1 P ADE 1 3.759 0.457 0.076 1.00 0.00 A
+ATOM 2 O1P ADE 1 2.779 0.279 0.171 1.00 0.00 A
+ATOM 3 O2P ADE 1 4.489 -0.205 0.246 1.00 0.00 A
+ATOM 4 O5' ADE 1 3.969 1.972 -0.393 1.00 0.00 A
+ATOM 5 C5' ADE 1 5.044 2.279 -1.29 1.00 0.00 A
+ATOM 6 H5' ADE 1 4.671 2.29 -2.305 1.00 0.00 A
+ATOM 7 H5'' ADE 1 5.816 1.501 -1.189 1.00 0.00 A
+ATOM 8 C4' ADE 1 5.648 3.651 -1.028 1.00 0.00 A
+ATOM 9 H4' ADE 1 6.646 3.694 -1.462 1.00 0.00 A
+ATOM 10 O4' ADE 1 4.831 4.694 -1.619 1.00 0.00 A
+ATOM 11 C1' ADE 1 4.388 5.605 -0.589 1.00 0.00 A
+ATOM 12 H1' ADE 1 4.979 6.519 -0.638 1.00 0.00 A
+ATOM 13 N9 ADE 1 2.96 5.94 -0.745 1.00 0.00 A
+ATOM 14 C5 ADE 1 1.063 7.037 -0.974 1.00 0.00 A
+ATOM 15 N7 ADE 1 0.73 5.679 -1.026 1.00 0.00 A
+ATOM 16 C8 ADE 1 1.887 5.123 -0.884 1.00 0.00 A
+ATOM 17 H8 ADE 1 1.997 4.038 -0.875 1.00 0.00 A
+ATOM 18 N1 ADE 1 0.95 9.38 -0.971 1.00 0.00 A
+ATOM 19 C2 ADE 1 2.273 9.407 -0.803 1.00 0.00 A
+ATOM 20 H2 ADE 1 2.731 10.392 -0.73 1.00 0.00 A
+ATOM 21 N3 ADE 1 3.091 8.365 -0.708 1.00 0.00 A
+ATOM 22 C4 ADE 1 2.417 7.202 -0.802 1.00 0.00 A
+ATOM 23 C6 ADE 1 0.298 8.207 -1.063 1.00 0.00 A
+ATOM 24 N6 ADE 1 -1.022 8.204 -1.236 1.00 0.00 A
+ATOM 25 H61 ADE 1 -1.526 9.077 -1.294 1.00 0.00 A
+ATOM 26 H62 ADE 1 -1.52 7.328 -1.309 1.00 0.00 A
+ATOM 27 C2' ADE 1 4.646 4.918 0.727 1.00 0.00 A
+ATOM 28 H2'' ADE 1 4.989 5.649 1.459 1.00 0.00 A
+ATOM 29 O2' ADE 1 5.086 5.931 1.621 1.00 0.00 A
+ATOM 30 H2' ADE 1 3.741 4.398 1.062 1.00 0.00 A
+ATOM 31 C3' ADE 1 5.735 3.93 0.467 1.00 0.00 A
+ATOM 32 H3' ADE 1 5.546 3.013 1.029 1.00 0.00 A
+ATOM 33 O3' ADE 1 7.011 4.478 0.823 1.00 0.00 A
+ATOM 34 P THY 2 7.364 4.806 2.358 1.00 0.00 A
+ATOM 35 O1P THY 2 8.839 4.776 2.53 1.00 0.00 A
+ATOM 36 O2P THY 2 6.515 3.962 3.238 1.00 0.00 A
+ATOM 37 O5' THY 2 6.861 6.33 2.454 1.00 0.00 A
+ATOM 38 C5' THY 2 7.276 7.297 1.48 1.00 0.00 A
+ATOM 39 H5' THY 2 6.804 7.074 0.532 1.00 0.00 A
+ATOM 40 H5'' THY 2 8.368 7.233 1.371 1.00 0.00 A
+ATOM 41 C4' THY 2 6.873 8.719 1.849 1.00 0.00 A
+ATOM 42 H4' THY 2 7.506 9.419 1.306 1.00 0.00 A
+ATOM 43 O4' THY 2 5.486 8.978 1.507 1.00 0.00 A
+ATOM 44 C1' THY 2 4.768 9.415 2.684 1.00 0.00 A
+ATOM 45 H1' THY 2 4.665 10.5 2.653 1.00 0.00 A
+ATOM 46 N1 THY 2 3.423 8.799 2.747 1.00 0.00 A
+ATOM 47 C6 THY 2 3.266 7.442 2.852 1.00 0.00 A
+ATOM 48 H6 THY 2 4.14 6.814 2.982 1.00 0.00 A
+ATOM 49 C2 THY 2 2.337 9.639 2.626 1.00 0.00 A
+ATOM 50 O2 THY 2 2.458 10.86 2.552 1.00 0.00 A
+ATOM 51 N3 THY 2 1.099 9.029 2.606 1.00 0.00 A
+ATOM 52 H3 THY 2 0.308 9.625 2.509 1.00 0.00 A
+ATOM 53 C4 THY 2 0.851 7.673 2.697 1.00 0.00 A
+ATOM 54 O4 THY 2 -0.302 7.243 2.661 1.00 0.00 A
+ATOM 55 C5 THY 2 2.045 6.871 2.827 1.00 0.00 A
+ATOM 56 C5M THY 2 1.928 5.354 2.91 1.00 0.00 A
+ATOM 57 H51 THY 2 1.213 5.085 3.678 1.00 0.00 A
+ATOM 58 H52 THY 2 2.903 4.926 3.15 1.00 0.00 A
+ATOM 59 H53 THY 2 1.589 4.964 1.96 1.00 0.00 A
+ATOM 60 C2' THY 2 5.626 9.038 3.865 1.00 0.00 A
+ATOM 61 H2'' THY 2 5.564 9.815 4.63 1.00 0.00 A
+ATOM 62 O2' THY 2 5.49 10.094 4.806 1.00 0.00 A
+ATOM 63 H2' THY 2 5.324 8.059 4.256 1.00 0.00 A
+ATOM 64 C3' THY 2 7.025 8.967 3.345 1.00 0.00 A
+ATOM 65 H3' THY 2 7.553 8.132 3.808 1.00 0.00 A
+ATOM 66 O3' THY 2 7.719 10.196 3.596 1.00 0.00 A
+ATOM 67 P CYT 3 7.98 10.697 5.1 1.00 0.00 A
+ATOM 68 O1P CYT 3 9.28 11.413 5.15 1.00 0.00 A
+ATOM 69 O2P CYT 3 7.737 9.569 6.034 1.00 0.00 A
+ATOM 70 O5' CYT 3 6.789 11.768 5.253 1.00 0.00 A
+ATOM 71 C5' CYT 3 6.72 12.904 4.38 1.00 0.00 A
+ATOM 72 H5' CYT 3 6.534 12.568 3.369 1.00 0.00 A
+ATOM 73 H5'' CYT 3 7.686 13.43 4.42 1.00 0.00 A
+ATOM 74 C4' CYT 3 5.593 13.866 4.739 1.00 0.00 A
+ATOM 75 H4' CYT 3 5.709 14.779 4.157 1.00 0.00 A
+ATOM 76 O4' CYT 3 4.292 13.29 4.45 1.00 0.00 A
+ATOM 77 C1' CYT 3 3.465 13.339 5.637 1.00 0.00 A
+ATOM 78 H1' CYT 3 2.791 14.192 5.565 1.00 0.00 A
+ATOM 79 N1 CYT 3 2.672 12.098 5.79 1.00 0.00 A
+ATOM 80 C6 CYT 3 3.282 10.889 5.955 1.00 0.00 A
+ATOM 81 H6 CYT 3 4.365 10.84 6.032 1.00 0.00 A
+ATOM 82 C5 CYT 3 2.559 9.76 6.045 1.00 0.00 A
+ATOM 83 H5 CYT 3 3.039 8.789 6.164 1.00 0.00 A
+ATOM 84 C2 CYT 3 1.294 12.207 5.721 1.00 0.00 A
+ATOM 85 O2 CYT 3 0.763 13.308 5.588 1.00 0.00 A
+ATOM 86 N3 CYT 3 0.558 11.072 5.813 1.00 0.00 A
+ATOM 87 C4 CYT 3 1.14 9.878 5.968 1.00 0.00 A
+ATOM 88 N4 CYT 3 0.379 8.788 6.044 1.00 0.00 A
+ATOM 89 H41 CYT 3 0.806 7.88 6.157 1.00 0.00 A
+ATOM 90 H42 CYT 3 -0.626 8.869 5.991 1.00 0.00 A
+ATOM 91 C2' CYT 3 4.407 13.552 6.796 1.00 0.00 A
+ATOM 92 H2'' CYT 3 3.94 14.214 7.534 1.00 0.00 A
+ATOM 93 O2' CYT 3 3.733 14.417 7.7 1.00 0.00 A
+ATOM 94 H2' CYT 3 4.689 12.59 7.236 1.00 0.00 A
+ATOM 95 C3' CYT 3 5.616 14.221 6.221 1.00 0.00 A
+ATOM 96 H3' CYT 3 6.518 13.815 6.685 1.00 0.00 A
+ATOM 97 O3' CYT 3 5.555 15.639 6.408 1.00 0.00 A
+ATOM 98 P CYT 4 5.538 16.275 7.882 1.00 0.00 A
+ATOM 99 O1P CYT 4 6.177 17.615 7.835 1.00 0.00 A
+ATOM 100 O2P CYT 4 6.033 15.266 8.851 1.00 0.00 A
+ATOM 101 O5' CYT 4 3.955 16.462 8.083 1.00 0.00 A
+ATOM 102 C5' CYT 4 3.157 17.011 7.025 1.00 0.00 A
+ATOM 103 H5' CYT 4 3.112 16.305 6.208 1.00 0.00 A
+ATOM 104 H5'' CYT 4 3.632 17.942 6.682 1.00 0.00 A
+ATOM 105 C4' CYT 4 1.722 17.289 7.449 1.00 0.00 A
+ATOM 106 H4' CYT 4 1.321 18.095 6.835 1.00 0.00 A
+ATOM 107 O4' CYT 4 0.888 16.113 7.28 1.00 0.00 A
+ATOM 108 C1' CYT 4 0.232 15.803 8.531 1.00 0.00 A
+ATOM 109 H1' CYT 4 -0.791 16.175 8.498 1.00 0.00 A
+ATOM 110 N1 CYT 4 0.215 14.343 8.782 1.00 0.00 A
+ATOM 111 C6 CYT 4 1.375 13.644 8.967 1.00 0.00 A
+ATOM 112 H6 CYT 4 2.327 14.165 8.951 1.00 0.00 A
+ATOM 113 C5 CYT 4 1.351 12.313 9.169 1.00 0.00 A
+ATOM 114 H5 CYT 4 2.272 11.748 9.314 1.00 0.00 A
+ATOM 115 C2 CYT 4 -1.018 13.712 8.8 1.00 0.00 A
+ATOM 116 O2 CYT 4 -2.05 14.359 8.636 1.00 0.00 A
+ATOM 117 N3 CYT 4 -1.049 12.37 9.003 1.00 0.00 A
+ATOM 118 C4 CYT 4 0.078 11.668 9.183 1.00 0.00 A
+ATOM 119 N4 CYT 4 0.01 10.348 9.372 1.00 0.00 A
+ATOM 120 H41 CYT 4 0.855 9.814 9.502 1.00 0.00 A
+ATOM 121 H42 CYT 4 -0.885 9.881 9.386 1.00 0.00 A
+ATOM 122 C2' CYT 4 0.992 16.545 9.602 1.00 0.00 A
+ATOM 123 H2'' CYT 4 0.293 16.923 10.35 1.00 0.00 A
+ATOM 124 O2' CYT 4 0.02 17 10.533 1.00 0.00 A
+ATOM 125 H2' CYT 4 1.751 15.896 10.049 1.00 0.00 A
+ATOM 126 C3' CYT 4 1.648 17.697 8.914 1.00 0.00 A
+ATOM 127 H3' CYT 4 2.656 17.837 9.31 1.00 0.00 A
+ATOM 128 O3' CYT 4 0.881 18.892 9.085 1.00 0.00 A
+ATOM 129 P THY 5 0.647 19.496 10.554 1.00 0.00 A
+ATOM 130 O1P THY 5 0.561 20.975 10.457 1.00 0.00 A
+ATOM 131 O2P THY 5 1.626 18.884 11.487 1.00 0.00 A
+ATOM 132 O5' THY 5 -0.815 18.907 10.868 1.00 0.00 A
+ATOM 133 C5' THY 5 -1.928 19.273 10.041 1.00 0.00 A
+ATOM 134 H5' THY 5 -1.694 19.051 9.009 1.00 0.00 A
+ATOM 135 H5'' THY 5 -2.101 20.352 10.155 1.00 0.00 A
+ATOM 136 C4' THY 5 -3.2 18.507 10.381 1.00 0.00 A
+ATOM 137 H4' THY 5 -3.974 18.774 9.662 1.00 0.00 A
+ATOM 138 O4' THY 5 -2.989 17.071 10.326 1.00 0.00 A
+ATOM 139 C1' THY 5 -3.41 16.473 11.574 1.00 0.00 A
+ATOM 140 H1' THY 5 -4.409 16.057 11.449 1.00 0.00 A
+ATOM 141 N1 THY 5 -2.482 15.396 11.992 1.00 0.00 A
+ATOM 142 C6 THY 5 -1.153 15.644 12.196 1.00 0.00 A
+ATOM 143 H6 THY 5 -0.79 16.668 12.147 1.00 0.00 A
+ATOM 144 C2 THY 5 -3 14.117 12.096 1.00 0.00 A
+ATOM 145 O2 THY 5 -4.196 13.881 11.943 1.00 0.00 A
+ATOM 146 N3 THY 5 -2.094 13.117 12.403 1.00 0.00 A
+ATOM 147 H3 THY 5 -2.449 12.182 12.472 1.00 0.00 A
+ATOM 148 C4 THY 5 -0.742 13.28 12.614 1.00 0.00 A
+ATOM 149 O4 THY 5 -0.032 12.308 12.873 1.00 0.00 A
+ATOM 150 C5 THY 5 -0.289 14.648 12.492 1.00 0.00 A
+ATOM 151 C5M THY 5 1.191 14.967 12.669 1.00 0.00 A
+ATOM 152 H51 THY 5 1.55 14.53 13.594 1.00 0.00 A
+ATOM 153 H52 THY 5 1.333 16.047 12.693 1.00 0.00 A
+ATOM 154 H53 THY 5 1.751 14.549 11.843 1.00 0.00 A
+ATOM 155 C2' THY 5 -3.465 17.594 12.579 1.00 0.00 A
+ATOM 156 H2'' THY 5 -4.306 17.435 13.264 1.00 0.00 A
+ATOM 157 O2' THY 5 -4.58 17.322 13.417 1.00 0.00 A
+ATOM 158 H2' THY 5 -2.511 17.661 13.116 1.00 0.00 A
+ATOM 159 C3' THY 5 -3.691 18.844 11.781 1.00 0.00 A
+ATOM 160 H3' THY 5 -3.096 19.66 12.197 1.00 0.00 A
+ATOM 161 O3' THY 5 -5.077 19.199 11.761 1.00 0.00 A
+ATOM 162 P ADE 6 -5.692 20.169 12.882 1.00 0.00 A
+ATOM 163 O1P ADE 6 -6.683 21.072 12.244 1.00 0.00 A
+ATOM 164 O2P ADE 6 -4.583 20.752 13.678 1.00 0.00 A
+ATOM 165 O5' ADE 6 -6.471 19.094 13.785 1.00 0.00 A
+ATOM 166 C5' ADE 6 -7.541 18.319 13.232 1.00 0.00 A
+ATOM 167 H5' ADE 6 -7.211 17.85 12.315 1.00 0.00 A
+ATOM 168 H5'' ADE 6 -8.386 18.991 13.021 1.00 0.00 A
+ATOM 169 C4' ADE 6 -7.985 17.203 14.162 1.00 0.00 A
+ATOM 170 H4' ADE 6 -8.974 16.858 13.863 1.00 0.00 A
+ATOM 171 O4' ADE 6 -7.06 16.084 14.109 1.00 0.00 A
+ATOM 172 C1' ADE 6 -6.626 15.77 15.448 1.00 0.00 A
+ATOM 173 H1' ADE 6 -7.241 14.954 15.831 1.00 0.00 A
+ATOM 174 N9 ADE 6 -5.206 15.361 15.499 1.00 0.00 A
+ATOM 175 C5 ADE 6 -3.38 14.152 15.741 1.00 0.00 A
+ATOM 176 N7 ADE 6 -2.949 15.48 15.662 1.00 0.00 A
+ATOM 177 C8 ADE 6 -4.07 16.107 15.522 1.00 0.00 A
+ATOM 178 H8 ADE 6 -4.1 17.19 15.422 1.00 0.00 A
+ATOM 179 N1 ADE 6 -3.441 11.818 15.931 1.00 0.00 A
+ATOM 180 C2 ADE 6 -4.769 11.882 15.816 1.00 0.00 A
+ATOM 181 H2 ADE 6 -5.306 10.937 15.837 1.00 0.00 A
+ATOM 182 N3 ADE 6 -5.509 12.969 15.668 1.00 0.00 A
+ATOM 183 C4 ADE 6 -4.749 14.077 15.638 1.00 0.00 A
+ATOM 184 C6 ADE 6 -2.701 12.939 15.9 1.00 0.00 A
+ATOM 185 N6 ADE 6 -1.379 12.855 16.045 1.00 0.00 A
+ATOM 186 H61 ADE 6 -0.941 11.951 16.157 1.00 0.00 A
+ATOM 187 H62 ADE 6 -0.816 13.693 16.045 1.00 0.00 A
+ATOM 188 C2' ADE 6 -6.89 17.001 16.274 1.00 0.00 A
+ATOM 189 H2'' ADE 6 -7.162 16.715 17.291 1.00 0.00 A
+ATOM 190 O2' ADE 6 -7.256 16.544 17.569 1.00 0.00 A
+ATOM 191 H2' ADE 6 -6.014 17.659 16.261 1.00 0.00 A
+ATOM 192 C3' ADE 6 -8.041 17.687 15.608 1.00 0.00 A
+ATOM 193 H3' ADE 6 -7.903 18.77 15.646 1.00 0.00 A
+ATOM 194 O3' ADE 6 -9.285 17.318 16.221 1.00 0.00 A
+ATOM 195 P GUA 7 -9.843 18.105 17.507 1.00 0.00 A
+ATOM 196 O1P GUA 7 -11.229 18.561 17.226 1.00 0.00 A
+ATOM 197 O2P GUA 7 -8.828 19.1 17.939 1.00 0.00 A
+ATOM 198 O5' GUA 7 -9.897 16.91 18.585 1.00 0.00 A
+ATOM 199 C5' GUA 7 -10.177 15.56 18.181 1.00 0.00 A
+ATOM 200 H5' GUA 7 -9.745 15.381 17.207 1.00 0.00 A
+ATOM 201 H5'' GUA 7 -11.27 15.426 18.114 1.00 0.00 A
+ATOM 202 C4' GUA 7 -9.561 14.522 19.125 1.00 0.00 A
+ATOM 203 H4' GUA 7 -10.025 13.556 18.935 1.00 0.00 A
+ATOM 204 O4' GUA 7 -8.133 14.405 18.887 1.00 0.00 A
+ATOM 205 C1' GUA 7 -7.41 14.638 20.119 1.00 0.00 A
+ATOM 206 H1' GUA 7 -7.083 13.684 20.529 1.00 0.00 A
+ATOM 207 N9 GUA 7 -6.233 15.5 19.896 1.00 0.00 A
+ATOM 208 C4 GUA 7 -4.911 15.108 19.923 1.00 0.00 A
+ATOM 209 N2 GUA 7 -2.51 12.617 20.326 1.00 0.00 A
+ATOM 210 H21 GUA 7 -1.501 12.565 20.299 1.00 0.00 A
+ATOM 211 H22 GUA 7 -3.053 11.785 20.505 1.00 0.00 A
+ATOM 212 N3 GUA 7 -4.458 13.854 20.155 1.00 0.00 A
+ATOM 213 C2 GUA 7 -3.123 13.783 20.119 1.00 0.00 A
+ATOM 214 N1 GUA 7 -2.305 14.867 19.874 1.00 0.00 A
+ATOM 215 H1 GUA 7 -1.305 14.73 19.867 1.00 0.00 A
+ATOM 216 C6 GUA 7 -2.744 16.163 19.632 1.00 0.00 A
+ATOM 217 O6 GUA 7 -1.932 17.06 19.42 1.00 0.00 A
+ATOM 218 C5 GUA 7 -4.162 16.248 19.668 1.00 0.00 A
+ATOM 219 N7 GUA 7 -4.998 17.354 19.481 1.00 0.00 A
+ATOM 220 C8 GUA 7 -6.168 16.829 19.63 1.00 0.00 A
+ATOM 221 H8 GUA 7 -7.071 17.433 19.552 1.00 0.00 A
+ATOM 222 C2' GUA 7 -8.383 15.282 21.074 1.00 0.00 A
+ATOM 223 H2'' GUA 7 -8.214 14.899 22.086 1.00 0.00 A
+ATOM 224 O2' GUA 7 -8.103 14.731 22.354 1.00 0.00 A
+ATOM 225 H2' GUA 7 -8.286 16.373 21.035 1.00 0.00 A
+ATOM 226 C3' GUA 7 -9.744 14.878 20.608 1.00 0.00 A
+ATOM 227 H3' GUA 7 -10.429 15.719 20.727 1.00 0.00 A
+ATOM 228 O3' GUA 7 -10.214 13.747 21.352 1.00 0.00 A
+ATOM 229 P THY 8 -10.47 13.861 22.933 1.00 0.00 A
+ATOM 230 O1P THY 8 -11.662 13.049 23.287 1.00 0.00 A
+ATOM 231 O2P THY 8 -10.423 15.292 23.326 1.00 0.00 A
+ATOM 232 O5' THY 8 -9.152 13.125 23.489 1.00 0.00 A
+ATOM 233 C5' THY 8 -9.105 11.695 23.588 1.00 0.00 A
+ATOM 234 H5' THY 8 -9.468 11.262 22.666 1.00 0.00 A
+ATOM 235 H5'' THY 8 -9.754 11.381 24.418 1.00 0.00 A
+ATOM 236 C4' THY 8 -7.687 11.168 23.791 1.00 0.00 A
+ATOM 237 H4' THY 8 -7.609 10.181 23.338 1.00 0.00 A
+ATOM 238 O4' THY 8 -6.715 12.044 23.168 1.00 0.00 A
+ATOM 239 C1' THY 8 -5.719 12.435 24.137 1.00 0.00 A
+ATOM 240 H1' THY 8 -4.826 11.809 24 1.00 0.00 A
+ATOM 241 N1 THY 8 -5.347 13.86 23.988 1.00 0.00 A
+ATOM 242 C6 THY 8 -6.259 14.865 24.197 1.00 0.00 A
+ATOM 243 H6 THY 8 -7.285 14.614 24.463 1.00 0.00 A
+ATOM 244 C2 THY 8 -4.038 14.136 23.637 1.00 0.00 A
+ATOM 245 O2 THY 8 -3.212 13.247 23.443 1.00 0.00 A
+ATOM 246 N3 THY 8 -3.711 15.473 23.513 1.00 0.00 A
+ATOM 247 H3 THY 8 -2.758 15.688 23.257 1.00 0.00 A
+ATOM 248 C4 THY 8 -4.564 16.543 23.707 1.00 0.00 A
+ATOM 249 O4 THY 8 -4.163 17.697 23.57 1.00 0.00 A
+ATOM 250 C5 THY 8 -5.91 16.163 24.071 1.00 0.00 A
+ATOM 251 C5M THY 8 -6.952 17.25 24.322 1.00 0.00 A
+ATOM 252 H51 THY 8 -7.951 16.823 24.241 1.00 0.00 A
+ATOM 253 H52 THY 8 -6.834 18.044 23.584 1.00 0.00 A
+ATOM 254 H53 THY 8 -6.813 17.662 25.322 1.00 0.00 A
+ATOM 255 C2' THY 8 -6.324 12.155 25.493 1.00 0.00 A
+ATOM 256 H2'' THY 8 -5.551 11.817 26.188 1.00 0.00 A
+ATOM 257 O2' THY 8 -5.259 11.702 26.317 1.00 0.00 A
+ATOM 258 H2' THY 8 -6.834 13.05 25.864 1.00 0.00 A
+ATOM 259 C3' THY 8 -7.326 11.065 25.272 1.00 0.00 A
+ATOM 260 H3' THY 8 -8.207 11.245 25.89 1.00 0.00 A
+ATOM 261 O3' THY 8 -6.76 9.782 25.572 1.00 0.00 A
+ATOM 262 P THY 9 -6.511 9.33 27.094 1.00 0.00 A
+ATOM 263 O1P THY 9 -6.391 7.851 27.145 1.00 0.00 A
+ATOM 264 O2P THY 9 -7.505 10.007 27.965 1.00 0.00 A
+ATOM 265 O5' THY 9 -5.064 9.98 27.352 1.00 0.00 A
+ATOM 266 C5' THY 9 -3.88 9.385 26.799 1.00 0.00 A
+ATOM 267 H5' THY 9 -4.151 8.5 26.239 1.00 0.00 A
+ATOM 268 H5'' THY 9 -3.212 9.106 27.628 1.00 0.00 A
+ATOM 269 C4' THY 9 -3.16 10.317 25.831 1.00 0.00 A
+ATOM 270 H4' THY 9 -3.569 10.18 24.831 1.00 0.00 A
+ATOM 271 O4' THY 9 -3.322 11.705 26.223 1.00 0.00 A
+ATOM 272 C1' THY 9 -2.022 12.314 26.402 1.00 0.00 A
+ATOM 273 H1' THY 9 -1.789 12.931 25.535 1.00 0.00 A
+ATOM 274 N1 THY 9 -1.98 13.144 27.62 1.00 0.00 A
+ATOM 275 C6 THY 9 -2.301 12.617 28.841 1.00 0.00 A
+ATOM 276 H6 THY 9 -2.602 11.572 28.91 1.00 0.00 A
+ATOM 277 C2 THY 9 -1.594 14.462 27.479 1.00 0.00 A
+ATOM 278 O2 THY 9 -1.304 14.946 26.388 1.00 0.00 A
+ATOM 279 N3 THY 9 -1.55 15.208 28.642 1.00 0.00 A
+ATOM 280 H3 THY 9 -1.266 16.173 28.556 1.00 0.00 A
+ATOM 281 C4 THY 9 -1.856 14.754 29.913 1.00 0.00 A
+ATOM 282 O4 THY 9 -1.781 15.506 30.882 1.00 0.00 A
+ATOM 283 C5 THY 9 -2.25 13.364 29.961 1.00 0.00 A
+ATOM 284 C5M THY 9 -2.613 12.733 31.301 1.00 0.00 A
+ATOM 285 H51 THY 9 -3.44 13.282 31.75 1.00 0.00 A
+ATOM 286 H52 THY 9 -1.749 12.768 31.965 1.00 0.00 A
+ATOM 287 H53 THY 9 -2.907 11.695 31.144 1.00 0.00 A
+ATOM 288 C2' THY 9 -1.031 11.183 26.492 1.00 0.00 A
+ATOM 289 H2'' THY 9 -0.104 11.461 25.976 1.00 0.00 A
+ATOM 290 O2' THY 9 0.13 11.618 25.797 1.00 0.00 A
+ATOM 291 H2' THY 9 -0.85 10.929 27.544 1.00 0.00 A
+ATOM 292 C3' THY 9 -1.667 10.028 25.792 1.00 0.00 A
+ATOM 293 H3' THY 9 -1.452 9.104 26.331 1.00 0.00 A
+ATOM 294 O3' THY 9 -1.201 9.937 24.447 1.00 0.00 A
+ATOM 295 P ADE 10 -0.315 8.688 23.992 1.00 0.00 A
+ATOM 296 O1P ADE 10 0.551 8.277 25.125 1.00 0.00 A
+ATOM 297 O2P ADE 10 0.304 8.985 22.676 1.00 0.00 A
+ATOM 298 O5' ADE 10 -1.467 7.588 23.799 1.00 0.00 A
+ATOM 299 C5' ADE 10 -1.147 6.209 23.981 1.00 0.00 A
+ATOM 300 H5' ADE 10 -1.499 5.914 24.943 1.00 0.00 A
+ATOM 301 H5'' ADE 10 -0.058 6.091 23.938 1.00 0.00 A
+ATOM 302 C4' ADE 10 -1.836 5.303 22.968 1.00 0.00 A
+ATOM 303 H4' ADE 10 -2.067 4.345 23.431 1.00 0.00 A
+ATOM 304 O4' ADE 10 -3.058 5.912 22.482 1.00 0.00 A
+ATOM 305 C1' ADE 10 -2.814 6.401 21.156 1.00 0.00 A
+ATOM 306 H1' ADE 10 -3.405 5.82 20.462 1.00 0.00 A
+ATOM 307 N9 ADE 10 -3.245 7.804 21.056 1.00 0.00 A
+ATOM 308 C5 ADE 10 -4.488 9.625 21.105 1.00 0.00 A
+ATOM 309 N7 ADE 10 -3.166 10.059 21.189 1.00 0.00 A
+ATOM 310 C8 ADE 10 -2.525 8.939 21.164 1.00 0.00 A
+ATOM 311 H8 ADE 10 -1.467 8.901 21.352 1.00 0.00 A
+ATOM 312 N1 ADE 10 -6.829 9.568 20.995 1.00 0.00 A
+ATOM 313 C2 ADE 10 -6.756 8.238 20.93 1.00 0.00 A
+ATOM 314 H2 ADE 10 -7.703 7.703 20.862 1.00 0.00 A
+ATOM 315 N3 ADE 10 -5.655 7.493 20.942 1.00 0.00 A
+ATOM 316 C4 ADE 10 -4.547 8.257 21.031 1.00 0.00 A
+ATOM 317 C6 ADE 10 -5.708 10.306 21.082 1.00 0.00 A
+ATOM 318 N6 ADE 10 -5.798 11.634 21.109 1.00 0.00 A
+ATOM 319 H61 ADE 10 -4.961 12.197 21.148 1.00 0.00 A
+ATOM 320 H62 ADE 10 -6.705 12.077 21.097 1.00 0.00 A
+ATOM 321 C2' ADE 10 -1.353 6.163 20.832 1.00 0.00 A
+ATOM 322 H2'' ADE 10 -1.255 5.812 19.797 1.00 0.00 A
+ATOM 323 O2' ADE 10 -1.304 5.706 19.487 1.00 0.00 A
+ATOM 324 H2' ADE 10 -0.763 7.061 21.013 1.00 0.00 A
+ATOM 325 C3' ADE 10 -0.922 5.089 21.772 1.00 0.00 A
+ATOM 326 H3' ADE 10 0.123 5.233 22.05 1.00 0.00 A
+ATOM 327 O3' ADE 10 -1.116 3.794 21.2 1.00 0.00 A
+ATOM 328 P THY 11 -0.3 3.354 19.891 1.00 0.00 A
+ATOM 329 O1P THY 11 0.097 1.93 20.024 1.00 0.00 A
+ATOM 330 O2P THY 11 0.734 4.378 19.599 1.00 0.00 A
+ATOM 331 O5' THY 11 -1.473 3.469 18.803 1.00 0.00 A
+ATOM 332 C5' THY 11 -2.662 2.689 18.966 1.00 0.00 A
+ATOM 333 H5' THY 11 -2.944 2.68 20.01 1.00 0.00 A
+ATOM 334 H5'' THY 11 -2.451 1.662 18.634 1.00 0.00 A
+ATOM 335 C4' THY 11 -3.851 3.245 18.197 1.00 0.00 A
+ATOM 336 H4' THY 11 -4.766 2.847 18.632 1.00 0.00 A
+ATOM 337 O4' THY 11 -3.901 4.696 18.258 1.00 0.00 A
+ATOM 338 C1' THY 11 -4.03 5.228 16.919 1.00 0.00 A
+ATOM 339 H1' THY 11 -5.08 5.439 16.719 1.00 0.00 A
+ATOM 340 N1 THY 11 -3.239 6.466 16.744 1.00 0.00 A
+ATOM 341 C6 THY 11 -1.881 6.47 16.918 1.00 0.00 A
+ATOM 342 H6 THY 11 -1.372 5.54 17.168 1.00 0.00 A
+ATOM 343 C2 THY 11 -3.928 7.616 16.41 1.00 0.00 A
+ATOM 344 O2 THY 11 -5.147 7.627 16.255 1.00 0.00 A
+ATOM 345 N3 THY 11 -3.167 8.76 16.267 1.00 0.00 A
+ATOM 346 H3 THY 11 -3.656 9.597 16.002 1.00 0.00 A
+ATOM 347 C4 THY 11 -1.796 8.854 16.43 1.00 0.00 A
+ATOM 348 O4 THY 11 -1.22 9.932 16.292 1.00 0.00 A
+ATOM 349 C5 THY 11 -1.161 7.602 16.776 1.00 0.00 A
+ATOM 350 C5M THY 11 0.348 7.56 16.99 1.00 0.00 A
+ATOM 351 H51 THY 11 0.804 8.445 16.55 1.00 0.00 A
+ATOM 352 H52 THY 11 0.757 6.667 16.526 1.00 0.00 A
+ATOM 353 H53 THY 11 0.561 7.538 18.049 1.00 0.00 A
+ATOM 354 C2' THY 11 -3.564 4.136 15.992 1.00 0.00 A
+ATOM 355 H2'' THY 11 -4.165 4.148 15.075 1.00 0.00 A
+ATOM 356 O2' THY 11 -4.394 4.212 14.841 1.00 0.00 A
+ATOM 357 H2' THY 11 -2.495 4.258 15.779 1.00 0.00 A
+ATOM 358 C3' THY 11 -3.793 2.852 16.729 1.00 0.00 A
+ATOM 359 H3' THY 11 -2.953 2.176 16.559 1.00 0.00 A
+ATOM 360 O3' THY 11 -5.015 2.233 16.322 1.00 0.00 A
+ATOM 361 P ADE 12 -5.221 1.752 14.807 1.00 0.00 A
+ATOM 362 O1P ADE 12 -6.125 0.574 14.792 1.00 0.00 A
+ATOM 363 O2P ADE 12 -3.895 1.663 14.146 1.00 0.00 A
+ATOM 364 O5' ADE 12 -6.01 3.023 14.225 1.00 0.00 A
+ATOM 365 C5' ADE 12 -7.077 3.615 14.98 1.00 0.00 A
+ATOM 366 H5' ADE 12 -6.67 4.1 15.857 1.00 0.00 A
+ATOM 367 H5'' ADE 12 -7.769 2.818 15.287 1.00 0.00 A
+ATOM 368 C4' ADE 12 -7.824 4.68 14.194 1.00 0.00 A
+ATOM 369 H4' ADE 12 -8.83 4.786 14.598 1.00 0.00 A
+ATOM 370 O4' ADE 12 -7.144 5.958 14.28 1.00 0.00 A
+ATOM 371 C1' ADE 12 -6.79 6.408 12.952 1.00 0.00 A
+ATOM 372 H1' ADE 12 -7.49 7.183 12.639 1.00 0.00 A
+ATOM 373 N9 ADE 12 -5.417 6.949 12.917 1.00 0.00 A
+ATOM 374 C5 ADE 12 -3.693 8.321 12.83 1.00 0.00 A
+ATOM 375 N7 ADE 12 -3.157 7.043 13.02 1.00 0.00 A
+ATOM 376 C8 ADE 12 -4.226 6.316 13.057 1.00 0.00 A
+ATOM 377 H8 ADE 12 -4.171 5.237 13.186 1.00 0.00 A
+ATOM 378 N1 ADE 12 -3.941 10.629 12.522 1.00 0.00 A
+ATOM 379 C2 ADE 12 -5.257 10.448 12.476 1.00 0.00 A
+ATOM 380 H2 ADE 12 -5.861 11.34 12.337 1.00 0.00 A
+ATOM 381 N3 ADE 12 -5.913 9.3 12.587 1.00 0.00 A
+ATOM 382 C4 ADE 12 -5.067 8.268 12.764 1.00 0.00 A
+ATOM 383 C6 ADE 12 -3.111 9.589 12.699 1.00 0.00 A
+ATOM 384 N6 ADE 12 -1.795 9.805 12.753 1.00 0.00 A
+ATOM 385 H61 ADE 12 -1.162 9.032 12.894 1.00 0.00 A
+ATOM 386 H62 ADE 12 -1.429 10.745 12.648 1.00 0.00 A
+ATOM 387 C2' ADE 12 -6.935 5.215 12.045 1.00 0.00 A
+ATOM 388 H2'' ADE 12 -7.341 5.533 11.081 1.00 0.00 A
+ATOM 389 O2' ADE 12 -7.468 5.708 10.823 1.00 0.00 A
+ATOM 390 H2' ADE 12 -5.967 4.711 11.933 1.00 0.00 A
+ATOM 391 C3' ADE 12 -7.909 4.308 12.721 1.00 0.00 A
+ATOM 392 H3' ADE 12 -7.606 3.268 12.582 1.00 0.00 A
+ATOM 393 O3' ADE 12 -9.231 4.514 12.212 1.00 0.00 A
+ATOM 394 P GUA 13 -9.569 4.219 10.669 1.00 0.00 A
+ATOM 395 O1P GUA 13 -10.964 3.722 10.568 1.00 0.00 A
+ATOM 396 O2P GUA 13 -8.467 3.416 10.078 1.00 0.00 A
+ATOM 397 O5' GUA 13 -9.502 5.712 10.074 1.00 0.00 A
+ATOM 398 C5' GUA 13 -10.262 6.771 10.674 1.00 0.00 A
+ATOM 399 H5' GUA 13 -9.915 6.931 11.687 1.00 0.00 A
+ATOM 400 H5'' GUA 13 -11.321 6.472 10.69 1.00 0.00 A
+ATOM 401 C4' GUA 13 -10.106 8.098 9.939 1.00 0.00 A
+ATOM 402 H4' GUA 13 -10.856 8.8 10.304 1.00 0.00 A
+ATOM 403 O4' GUA 13 -8.786 8.662 10.158 1.00 0.00 A
+ATOM 404 C1' GUA 13 -8.107 8.815 8.888 1.00 0.00 A
+ATOM 405 H1' GUA 13 -8.123 9.865 8.595 1.00 0.00 A
+ATOM 406 N9 GUA 13 -6.709 8.354 8.973 1.00 0.00 A
+ATOM 407 C4 GUA 13 -5.588 9.146 8.985 1.00 0.00 A
+ATOM 408 N2 GUA 13 -4.124 12.296 8.784 1.00 0.00 A
+ATOM 409 H21 GUA 13 -3.184 12.667 8.819 1.00 0.00 A
+ATOM 410 H22 GUA 13 -4.906 12.918 8.649 1.00 0.00 A
+ATOM 411 N3 GUA 13 -5.57 10.492 8.868 1.00 0.00 A
+ATOM 412 C2 GUA 13 -4.33 10.984 8.915 1.00 0.00 A
+ATOM 413 N1 GUA 13 -3.206 10.202 9.073 1.00 0.00 A
+ATOM 414 H1 GUA 13 -2.315 10.646 9.124 1.00 0.00 A
+ATOM 415 C6 GUA 13 -3.197 8.821 9.193 1.00 0.00 A
+ATOM 416 O6 GUA 13 -2.131 8.221 9.329 1.00 0.00 A
+ATOM 417 C5 GUA 13 -4.509 8.289 9.14 1.00 0.00 A
+ATOM 418 N7 GUA 13 -4.941 6.963 9.22 1.00 0.00 A
+ATOM 419 C8 GUA 13 -6.219 7.099 9.112 1.00 0.00 A
+ATOM 420 H8 GUA 13 -6.878 6.234 9.115 1.00 0.00 A
+ATOM 421 C2' GUA 13 -8.891 8.009 7.886 1.00 0.00 A
+ATOM 422 H2'' GUA 13 -8.913 8.529 6.925 1.00 0.00 A
+ATOM 423 O2' GUA 13 -8.878 8.756 6.677 1.00 0.00 A
+ATOM 424 H2' GUA 13 -8.46 7.004 7.796 1.00 0.00 A
+ATOM 425 C3' GUA 13 -10.275 7.918 8.438 1.00 0.00 A
+ATOM 426 H3' GUA 13 -10.699 6.935 8.226 1.00 0.00 A
+ATOM 427 O3' GUA 13 -11.101 8.949 7.886 1.00 0.00 A
+ATOM 428 P GUA 14 -11.39 9.003 6.307 1.00 0.00 A
+ATOM 429 O1P GUA 14 -12.822 9.326 6.088 1.00 0.00 A
+ATOM 430 O2P GUA 14 -10.812 7.792 5.669 1.00 0.00 A
+ATOM 431 O5' GUA 14 -10.498 10.281 5.903 1.00 0.00 A
+ATOM 432 C5' GUA 14 -10.655 11.527 6.598 1.00 0.00 A
+ATOM 433 H5' GUA 14 -10.451 11.38 7.649 1.00 0.00 A
+ATOM 434 H5'' GUA 14 -11.694 11.866 6.469 1.00 0.00 A
+ATOM 435 C4' GUA 14 -9.695 12.606 6.108 1.00 0.00 A
+ATOM 436 H4' GUA 14 -10.002 13.566 6.522 1.00 0.00 A
+ATOM 437 O4' GUA 14 -8.331 12.331 6.524 1.00 0.00 A
+ATOM 438 C1' GUA 14 -7.466 12.306 5.364 1.00 0.00 A
+ATOM 439 H1' GUA 14 -6.929 13.252 5.293 1.00 0.00 A
+ATOM 440 N9 GUA 14 -6.496 11.197 5.439 1.00 0.00 A
+ATOM 441 C4 GUA 14 -5.13 11.309 5.503 1.00 0.00 A
+ATOM 442 N2 GUA 14 -2.272 13.284 5.569 1.00 0.00 A
+ATOM 443 H21 GUA 14 -1.276 13.122 5.619 1.00 0.00 A
+ATOM 444 H22 GUA 14 -2.629 14.227 5.521 1.00 0.00 A
+ATOM 445 N3 GUA 14 -4.431 12.464 5.499 1.00 0.00 A
+ATOM 446 C2 GUA 14 -3.115 12.253 5.569 1.00 0.00 A
+ATOM 447 N1 GUA 14 -2.546 11 5.639 1.00 0.00 A
+ATOM 448 H1 GUA 14 -1.553 10.927 5.697 1.00 0.00 A
+ATOM 449 C6 GUA 14 -3.243 9.8 5.643 1.00 0.00 A
+ATOM 450 O6 GUA 14 -2.637 8.733 5.71 1.00 0.00 A
+ATOM 451 C5 GUA 14 -4.64 10.014 5.568 1.00 0.00 A
+ATOM 452 N7 GUA 14 -5.685 9.089 5.544 1.00 0.00 A
+ATOM 453 C8 GUA 14 -6.712 9.862 5.468 1.00 0.00 A
+ATOM 454 H8 GUA 14 -7.718 9.456 5.407 1.00 0.00 A
+ATOM 455 C2' GUA 14 -8.37 12.156 4.168 1.00 0.00 A
+ATOM 456 H2'' GUA 14 -7.981 12.746 3.333 1.00 0.00 A
+ATOM 457 O2' GUA 14 -7.8 12.955 3.14 1.00 0.00 A
+ATOM 458 H2' GUA 14 -8.468 11.095 3.906 1.00 0.00 A
+ATOM 459 C3' GUA 14 -9.699 12.699 4.588 1.00 0.00 A
+ATOM 460 H3' GUA 14 -10.498 12.075 4.18 1.00 0.00 A
+ATOM 461 O3' GUA 14 -9.858 14.054 4.155 1.00 0.00 A
+ATOM 462 P ADE 15 -9.872 14.418 2.591 1.00 0.00 A
+ATOM 463 O1P ADE 15 -10.717 15.621 2.385 1.00 0.00 A
+ATOM 464 O2P ADE 15 -10.159 13.187 1.811 1.00 0.00 A
+ATOM 465 O5' ADE 15 -8.329 14.822 2.384 1.00 0.00 A
+ATOM 466 C5' ADE 15 -7.757 15.905 3.132 1.00 0.00 A
+ATOM 467 H5' ADE 15 -7.679 15.62 4.173 1.00 0.00 A
+ATOM 468 H5'' ADE 15 -8.419 16.778 3.038 1.00 0.00 A
+ATOM 469 C4' ADE 15 -6.352 16.267 2.666 1.00 0.00 A
+ATOM 470 H4' ADE 15 -6.074 17.231 3.09 1.00 0.00 A
+ATOM 471 O4' ADE 15 -5.384 15.271 3.088 1.00 0.00 A
+ATOM 472 C1' ADE 15 -4.683 14.758 1.931 1.00 0.00 A
+ATOM 473 H1' ADE 15 -3.701 15.229 1.864 1.00 0.00 A
+ATOM 474 N9 ADE 15 -4.519 13.297 2.002 1.00 0.00 A
+ATOM 475 C5 ADE 15 -3.661 11.277 2.155 1.00 0.00 A
+ATOM 476 N7 ADE 15 -5.037 11.096 2.004 1.00 0.00 A
+ATOM 477 C8 ADE 15 -5.449 12.315 1.922 1.00 0.00 A
+ATOM 478 H8 ADE 15 -6.501 12.547 1.781 1.00 0.00 A
+ATOM 479 N1 ADE 15 -1.372 10.906 2.425 1.00 0.00 A
+ATOM 480 C2 ADE 15 -1.189 12.224 2.412 1.00 0.00 A
+ATOM 481 H2 ADE 15 -0.165 12.572 2.528 1.00 0.00 A
+ATOM 482 N3 ADE 15 -2.117 13.16 2.28 1.00 0.00 A
+ATOM 483 C4 ADE 15 -3.341 12.615 2.156 1.00 0.00 A
+ATOM 484 C6 ADE 15 -2.6 10.384 2.299 1.00 0.00 A
+ATOM 485 N6 ADE 15 -2.755 9.059 2.312 1.00 0.00 A
+ATOM 486 H61 ADE 15 -1.949 8.456 2.417 1.00 0.00 A
+ATOM 487 H62 ADE 15 -3.677 8.658 2.219 1.00 0.00 A
+ATOM 488 C2' ADE 15 -5.504 15.149 0.731 1.00 0.00 A
+ATOM 489 H2'' ADE 15 -4.844 15.409 -0.102 1.00 0.00 A
+ATOM 490 O2' ADE 15 -4.576 15.478 -0.294 1.00 0.00 A
+ATOM 491 H2' ADE 15 -6.19 14.335 0.468 1.00 0.00 A
+ATOM 492 C3' ADE 15 -6.283 16.352 1.147 1.00 0.00 A
+ATOM 493 H3' ADE 15 -7.289 16.303 0.726 1.00 0.00 A
+ATOM 494 O3' ADE 15 -5.624 17.548 0.722 1.00 0.00 A
+ATOM 495 P THY 16 -5.398 17.836 -0.841 1.00 0.00 A
+ATOM 496 O1P THY 16 -5.436 19.302 -1.072 1.00 0.00 A
+ATOM 497 O2P THY 16 -6.293 16.951 -1.628 1.00 0.00 A
+ATOM 498 O5' THY 16 -3.882 17.322 -1.001 1.00 0.00 A
+ATOM 499 C5' THY 16 -2.838 17.907 -0.211 1.00 0.00 A
+ATOM 500 H5' THY 16 -2.999 17.667 0.83 1.00 0.00 A
+ATOM 501 H5'' THY 16 -2.874 18.998 -0.347 1.00 0.00 A
+ATOM 502 C4' THY 16 -1.452 17.388 -0.574 1.00 0.00 A
+ATOM 503 H4' THY 16 -0.705 17.995 -0.065 1.00 0.00 A
+ATOM 504 O4' THY 16 -1.281 16.003 -0.17 1.00 0.00 A
+ATOM 505 C1' THY 16 -0.834 15.221 -1.3 1.00 0.00 A
+ATOM 506 H1' THY 16 0.246 15.085 -1.238 1.00 0.00 A
+ATOM 507 N1 THY 16 -1.493 13.897 -1.332 1.00 0.00 A
+ATOM 508 C6 THY 16 -2.847 13.782 -1.508 1.00 0.00 A
+ATOM 509 H6 THY 16 -3.452 14.681 -1.599 1.00 0.00 A
+ATOM 510 C2 THY 16 -0.686 12.781 -1.194 1.00 0.00 A
+ATOM 511 O2 THY 16 0.53 12.869 -1.037 1.00 0.00 A
+ATOM 512 N3 THY 16 -1.328 11.558 -1.246 1.00 0.00 A
+ATOM 513 H3 THY 16 -0.76 10.742 -1.134 1.00 0.00 A
+ATOM 514 C4 THY 16 -2.685 11.356 -1.424 1.00 0.00 A
+ATOM 515 O4 THY 16 -3.15 10.219 -1.466 1.00 0.00 A
+ATOM 516 C5 THY 16 -3.447 12.577 -1.557 1.00 0.00 A
+ATOM 517 C5M THY 16 -4.957 12.501 -1.76 1.00 0.00 A
+ATOM 518 H51 THY 16 -5.422 13.407 -1.376 1.00 0.00 A
+ATOM 519 H52 THY 16 -5.352 11.634 -1.237 1.00 0.00 A
+ATOM 520 H53 THY 16 -5.176 12.408 -2.814 1.00 0.00 A
+ATOM 521 C2' THY 16 -1.16 16.036 -2.531 1.00 0.00 A
+ATOM 522 H2'' THY 16 -0.365 15.912 -3.277 1.00 0.00 A
+ATOM 523 O2' THY 16 -0.085 15.83 -3.438 1.00 0.00 A
+ATOM 524 H2' THY 16 -2.137 15.741 -2.93 1.00 0.00 A
+ATOM 525 C3' THY 16 -1.207 17.463 -2.076 1.00 0.00 A
+ATOM 526 H3' THY 16 -2.043 17.975 -2.561 1.00 0.00 A
+ATOM 527 O3' THY 16 0.021 18.138 -2.365 1.00 0.00 A
+ATOM 528 OT HOH 33 -12.855 -0.6509 -4.2105 1.00 0.00 WATR
+ATOM 529 HT HOH 33 -12.098 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 530 HT HOH 33 -13.612 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 531 OT HOH 34 -10.392 1.81228 -4.2105 1.00 0.00 WATR
+ATOM 532 HT HOH 34 -9.6352 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 533 HT HOH 34 -11.149 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 534 SOD ION 35 -10.392 -0.6509 -1.7473 1.00 0.00 SALT
+ATOM 535 OT HOH 36 -12.855 1.81228 -1.7473 1.00 0.00 WATR
+ATOM 536 HT HOH 36 -12.098 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 537 HT HOH 36 -13.612 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 538 OT HOH 37 -12.855 -0.6509 0.71587 1.00 0.00 WATR
+ATOM 539 HT HOH 37 -12.098 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 540 HT HOH 37 -13.612 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 541 SOD ION 38 -10.392 1.81228 0.71587 1.00 0.00 SALT
+ATOM 542 OT HOH 39 -10.392 -0.6509 3.17907 1.00 0.00 WATR
+ATOM 543 HT HOH 39 -9.6352 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 544 HT HOH 39 -11.149 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 545 OT HOH 40 -12.855 1.81228 3.17907 1.00 0.00 WATR
+ATOM 546 HT HOH 40 -12.098 2.39816 3.17907 1.00 0.00 WATR
+ATOM 547 HT HOH 40 -13.612 2.39816 3.17907 1.00 0.00 WATR
+ATOM 548 OT HOH 41 -12.855 -0.6509 5.64228 1.00 0.00 WATR
+ATOM 549 HT HOH 41 -12.098 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 550 HT HOH 41 -13.612 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 551 OT HOH 42 -10.392 1.81228 5.64228 1.00 0.00 WATR
+ATOM 552 HT HOH 42 -9.6352 2.39816 5.64228 1.00 0.00 WATR
+ATOM 553 HT HOH 42 -11.149 2.39816 5.64228 1.00 0.00 WATR
+ATOM 554 OT HOH 43 -10.392 -0.6509 8.10548 1.00 0.00 WATR
+ATOM 555 HT HOH 43 -9.6352 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 556 HT HOH 43 -11.149 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 557 OT HOH 44 -12.855 1.81228 8.10548 1.00 0.00 WATR
+ATOM 558 HT HOH 44 -12.098 2.39816 8.10548 1.00 0.00 WATR
+ATOM 559 HT HOH 44 -13.612 2.39816 8.10548 1.00 0.00 WATR
+ATOM 560 OT HOH 45 -12.855 -0.6509 10.5686 1.00 0.00 WATR
+ATOM 561 HT HOH 45 -12.098 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 562 HT HOH 45 -13.612 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 563 OT HOH 46 -10.392 -0.6509 13.0318 1.00 0.00 WATR
+ATOM 564 HT HOH 46 -9.6352 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 565 HT HOH 46 -11.149 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 566 OT HOH 47 -12.855 1.81228 13.0318 1.00 0.00 WATR
+ATOM 567 HT HOH 47 -12.098 2.39816 13.0318 1.00 0.00 WATR
+ATOM 568 HT HOH 47 -13.612 2.39816 13.0318 1.00 0.00 WATR
+ATOM 569 OT HOH 48 -12.855 -0.6509 15.4951 1.00 0.00 WATR
+ATOM 570 HT HOH 48 -12.098 -0.0650 15.4951 1.00 0.00 WATR
+ATOM 571 HT HOH 48 -13.612 -0.0650 15.4951 1.00 0.00 WATR
+ATOM 572 OT HOH 49 -10.392 1.81228 15.4951 1.00 0.00 WATR
+ATOM 573 HT HOH 49 -9.6352 2.39816 15.4951 1.00 0.00 WATR
+ATOM 574 HT HOH 49 -11.149 2.39816 15.4951 1.00 0.00 WATR
+ATOM 575 OT HOH 50 -10.392 -0.6509 17.9583 1.00 0.00 WATR
+ATOM 576 HT HOH 50 -9.6352 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 577 HT HOH 50 -11.149 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 578 OT HOH 51 -12.855 1.81228 17.9583 1.00 0.00 WATR
+ATOM 579 HT HOH 51 -12.098 2.39816 17.9583 1.00 0.00 WATR
+ATOM 580 HT HOH 51 -13.612 2.39816 17.9583 1.00 0.00 WATR
+ATOM 581 OT HOH 52 -12.855 -0.6509 20.4215 1.00 0.00 WATR
+ATOM 582 HT HOH 52 -12.098 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 583 HT HOH 52 -13.612 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 584 OT HOH 53 -10.392 1.81228 20.4215 1.00 0.00 WATR
+ATOM 585 HT HOH 53 -9.6352 2.39816 20.4215 1.00 0.00 WATR
+ATOM 586 HT HOH 53 -11.149 2.39816 20.4215 1.00 0.00 WATR
+ATOM 587 OT HOH 54 -10.392 -0.6509 22.8847 1.00 0.00 WATR
+ATOM 588 HT HOH 54 -9.6352 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 589 HT HOH 54 -11.149 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 590 OT HOH 55 -12.855 1.81228 22.8847 1.00 0.00 WATR
+ATOM 591 HT HOH 55 -12.098 2.39816 22.8847 1.00 0.00 WATR
+ATOM 592 HT HOH 55 -13.612 2.39816 22.8847 1.00 0.00 WATR
+ATOM 593 OT HOH 56 -12.855 -0.6509 25.3479 1.00 0.00 WATR
+ATOM 594 HT HOH 56 -12.098 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 595 HT HOH 56 -13.612 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 596 OT HOH 57 -10.392 1.81228 25.3479 1.00 0.00 WATR
+ATOM 597 HT HOH 57 -9.6352 2.39816 25.3479 1.00 0.00 WATR
+ATOM 598 HT HOH 57 -11.149 2.39816 25.3479 1.00 0.00 WATR
+ATOM 599 OT HOH 58 -10.392 -0.6509 27.8111 1.00 0.00 WATR
+ATOM 600 HT HOH 58 -9.6352 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 601 HT HOH 58 -11.149 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 602 OT HOH 59 -12.855 1.81228 27.8111 1.00 0.00 WATR
+ATOM 603 HT HOH 59 -12.098 2.39816 27.8111 1.00 0.00 WATR
+ATOM 604 HT HOH 59 -13.612 2.39816 27.8111 1.00 0.00 WATR
+ATOM 605 OT HOH 60 -12.855 -0.6509 30.2743 1.00 0.00 WATR
+ATOM 606 HT HOH 60 -12.098 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 607 HT HOH 60 -13.612 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 608 OT HOH 61 -10.392 1.81228 30.2743 1.00 0.00 WATR
+ATOM 609 HT HOH 61 -9.6352 2.39816 30.2743 1.00 0.00 WATR
+ATOM 610 HT HOH 61 -11.149 2.39816 30.2743 1.00 0.00 WATR
+ATOM 611 OT HOH 62 -10.392 -0.6509 32.7375 1.00 0.00 WATR
+ATOM 612 HT HOH 62 -9.6352 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 613 HT HOH 62 -11.149 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 614 OT HOH 63 -12.855 1.81228 32.7375 1.00 0.00 WATR
+ATOM 615 HT HOH 63 -12.098 2.39816 32.7375 1.00 0.00 WATR
+ATOM 616 HT HOH 63 -13.612 2.39816 32.7375 1.00 0.00 WATR
+ATOM 617 OT HOH 64 -12.855 4.27548 -4.2105 1.00 0.00 WATR
+ATOM 618 HT HOH 64 -12.098 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 619 HT HOH 64 -13.612 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 620 OT HOH 65 -10.392 6.73869 -4.2105 1.00 0.00 WATR
+ATOM 621 HT HOH 65 -9.6352 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 622 HT HOH 65 -11.149 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 623 OT HOH 66 -10.392 4.27548 -1.7473 1.00 0.00 WATR
+ATOM 624 HT HOH 66 -9.6352 4.86136 -1.7473 1.00 0.00 WATR
+ATOM 625 HT HOH 66 -11.149 4.86136 -1.7473 1.00 0.00 WATR
+ATOM 626 OT HOH 67 -12.855 6.73869 -1.7473 1.00 0.00 WATR
+ATOM 627 HT HOH 67 -12.098 7.32457 -1.7473 1.00 0.00 WATR
+ATOM 628 HT HOH 67 -13.612 7.32457 -1.7473 1.00 0.00 WATR
+ATOM 629 OT HOH 68 -12.855 4.27548 0.71587 1.00 0.00 WATR
+ATOM 630 HT HOH 68 -12.098 4.86136 0.71587 1.00 0.00 WATR
+ATOM 631 HT HOH 68 -13.612 4.86136 0.71587 1.00 0.00 WATR
+ATOM 632 OT HOH 69 -10.392 6.73869 0.71587 1.00 0.00 WATR
+ATOM 633 HT HOH 69 -9.6352 7.32457 0.71587 1.00 0.00 WATR
+ATOM 634 HT HOH 69 -11.149 7.32457 0.71587 1.00 0.00 WATR
+ATOM 635 OT HOH 70 -10.392 4.27548 3.17907 1.00 0.00 WATR
+ATOM 636 HT HOH 70 -9.6352 4.86136 3.17907 1.00 0.00 WATR
+ATOM 637 HT HOH 70 -11.149 4.86136 3.17907 1.00 0.00 WATR
+ATOM 638 OT HOH 71 -12.855 6.73869 3.17907 1.00 0.00 WATR
+ATOM 639 HT HOH 71 -12.098 7.32457 3.17907 1.00 0.00 WATR
+ATOM 640 HT HOH 71 -13.612 7.32457 3.17907 1.00 0.00 WATR
+ATOM 641 OT HOH 72 -12.855 4.27548 5.64228 1.00 0.00 WATR
+ATOM 642 HT HOH 72 -12.098 4.86136 5.64228 1.00 0.00 WATR
+ATOM 643 HT HOH 72 -13.612 4.86136 5.64228 1.00 0.00 WATR
+ATOM 644 OT HOH 73 -12.855 6.73869 13.0318 1.00 0.00 WATR
+ATOM 645 HT HOH 73 -12.098 7.32457 13.0318 1.00 0.00 WATR
+ATOM 646 HT HOH 73 -13.612 7.32457 13.0318 1.00 0.00 WATR
+ATOM 647 OT HOH 74 -12.855 4.27548 15.4951 1.00 0.00 WATR
+ATOM 648 HT HOH 74 -12.098 4.86136 15.4951 1.00 0.00 WATR
+ATOM 649 HT HOH 74 -13.612 4.86136 15.4951 1.00 0.00 WATR
+ATOM 650 OT HOH 75 -10.392 4.27548 17.9583 1.00 0.00 WATR
+ATOM 651 HT HOH 75 -9.6352 4.86136 17.9583 1.00 0.00 WATR
+ATOM 652 HT HOH 75 -11.149 4.86136 17.9583 1.00 0.00 WATR
+ATOM 653 OT HOH 76 -12.855 6.73869 17.9583 1.00 0.00 WATR
+ATOM 654 HT HOH 76 -12.098 7.32457 17.9583 1.00 0.00 WATR
+ATOM 655 HT HOH 76 -13.612 7.32457 17.9583 1.00 0.00 WATR
+ATOM 656 OT HOH 77 -12.855 4.27548 20.4215 1.00 0.00 WATR
+ATOM 657 HT HOH 77 -12.098 4.86136 20.4215 1.00 0.00 WATR
+ATOM 658 HT HOH 77 -13.612 4.86136 20.4215 1.00 0.00 WATR
+ATOM 659 OT HOH 78 -10.392 6.73869 20.4215 1.00 0.00 WATR
+ATOM 660 HT HOH 78 -9.6352 7.32457 20.4215 1.00 0.00 WATR
+ATOM 661 HT HOH 78 -11.149 7.32457 20.4215 1.00 0.00 WATR
+ATOM 662 OT HOH 79 -10.392 4.27548 22.8847 1.00 0.00 WATR
+ATOM 663 HT HOH 79 -9.6352 4.86136 22.8847 1.00 0.00 WATR
+ATOM 664 HT HOH 79 -11.149 4.86136 22.8847 1.00 0.00 WATR
+ATOM 665 OT HOH 80 -12.855 6.73869 22.8847 1.00 0.00 WATR
+ATOM 666 HT HOH 80 -12.098 7.32457 22.8847 1.00 0.00 WATR
+ATOM 667 HT HOH 80 -13.612 7.32457 22.8847 1.00 0.00 WATR
+ATOM 668 OT HOH 81 -12.855 4.27548 25.3479 1.00 0.00 WATR
+ATOM 669 HT HOH 81 -12.098 4.86136 25.3479 1.00 0.00 WATR
+ATOM 670 HT HOH 81 -13.612 4.86136 25.3479 1.00 0.00 WATR
+ATOM 671 OT HOH 82 -10.392 6.73869 25.3479 1.00 0.00 WATR
+ATOM 672 HT HOH 82 -9.6352 7.32457 25.3479 1.00 0.00 WATR
+ATOM 673 HT HOH 82 -11.149 7.32457 25.3479 1.00 0.00 WATR
+ATOM 674 OT HOH 83 -10.392 4.27548 27.8111 1.00 0.00 WATR
+ATOM 675 HT HOH 83 -9.6352 4.86136 27.8111 1.00 0.00 WATR
+ATOM 676 HT HOH 83 -11.149 4.86136 27.8111 1.00 0.00 WATR
+ATOM 677 OT HOH 84 -12.855 6.73869 27.8111 1.00 0.00 WATR
+ATOM 678 HT HOH 84 -12.098 7.32457 27.8111 1.00 0.00 WATR
+ATOM 679 HT HOH 84 -13.612 7.32457 27.8111 1.00 0.00 WATR
+ATOM 680 OT HOH 85 -12.855 4.27548 30.2743 1.00 0.00 WATR
+ATOM 681 HT HOH 85 -12.098 4.86136 30.2743 1.00 0.00 WATR
+ATOM 682 HT HOH 85 -13.612 4.86136 30.2743 1.00 0.00 WATR
+ATOM 683 OT HOH 86 -10.392 6.73869 30.2743 1.00 0.00 WATR
+ATOM 684 HT HOH 86 -9.6352 7.32457 30.2743 1.00 0.00 WATR
+ATOM 685 HT HOH 86 -11.149 7.32457 30.2743 1.00 0.00 WATR
+ATOM 686 OT HOH 87 -10.392 4.27548 32.7375 1.00 0.00 WATR
+ATOM 687 HT HOH 87 -9.6352 4.86136 32.7375 1.00 0.00 WATR
+ATOM 688 HT HOH 87 -11.149 4.86136 32.7375 1.00 0.00 WATR
+ATOM 689 OT HOH 88 -12.855 6.73869 32.7375 1.00 0.00 WATR
+ATOM 690 HT HOH 88 -12.098 7.32457 32.7375 1.00 0.00 WATR
+ATOM 691 HT HOH 88 -13.612 7.32457 32.7375 1.00 0.00 WATR
+ATOM 692 OT HOH 89 -12.855 9.20189 -4.2105 1.00 0.00 WATR
+ATOM 693 HT HOH 89 -12.098 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 694 HT HOH 89 -13.612 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 695 OT HOH 90 -10.392 11.6651 -4.2105 1.00 0.00 WATR
+ATOM 696 HT HOH 90 -9.6352 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 697 HT HOH 90 -11.149 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 698 OT HOH 91 -10.392 9.20189 -1.7473 1.00 0.00 WATR
+ATOM 699 HT HOH 91 -9.6352 9.78777 -1.7473 1.00 0.00 WATR
+ATOM 700 HT HOH 91 -11.149 9.78777 -1.7473 1.00 0.00 WATR
+ATOM 701 OT HOH 92 -12.855 11.6651 -1.7473 1.00 0.00 WATR
+ATOM 702 HT HOH 92 -12.098 12.2509 -1.7473 1.00 0.00 WATR
+ATOM 703 HT HOH 92 -13.612 12.2509 -1.7473 1.00 0.00 WATR
+ATOM 704 OT HOH 93 -12.855 9.20189 0.71587 1.00 0.00 WATR
+ATOM 705 HT HOH 93 -12.098 9.78777 0.71587 1.00 0.00 WATR
+ATOM 706 HT HOH 93 -13.612 9.78777 0.71587 1.00 0.00 WATR
+ATOM 707 OT HOH 94 -10.392 11.6651 10.5686 1.00 0.00 WATR
+ATOM 708 HT HOH 94 -9.6352 12.2509 10.5686 1.00 0.00 WATR
+ATOM 709 HT HOH 94 -11.149 12.2509 10.5686 1.00 0.00 WATR
+ATOM 710 OT HOH 95 -12.855 11.6651 13.0318 1.00 0.00 WATR
+ATOM 711 HT HOH 95 -12.098 12.2509 13.0318 1.00 0.00 WATR
+ATOM 712 HT HOH 95 -13.612 12.2509 13.0318 1.00 0.00 WATR
+ATOM 713 OT HOH 96 -12.855 9.20189 15.4951 1.00 0.00 WATR
+ATOM 714 HT HOH 96 -12.098 9.78777 15.4951 1.00 0.00 WATR
+ATOM 715 HT HOH 96 -13.612 9.78777 15.4951 1.00 0.00 WATR
+ATOM 716 OT HOH 97 -10.392 11.6651 15.4951 1.00 0.00 WATR
+ATOM 717 HT HOH 97 -9.6352 12.2509 15.4951 1.00 0.00 WATR
+ATOM 718 HT HOH 97 -11.149 12.2509 15.4951 1.00 0.00 WATR
+ATOM 719 OT HOH 98 -10.392 9.20189 17.9583 1.00 0.00 WATR
+ATOM 720 HT HOH 98 -9.6352 9.78777 17.9583 1.00 0.00 WATR
+ATOM 721 HT HOH 98 -11.149 9.78777 17.9583 1.00 0.00 WATR
+ATOM 722 OT HOH 99 -12.855 11.6651 17.9583 1.00 0.00 WATR
+ATOM 723 HT HOH 99 -12.098 12.2509 17.9583 1.00 0.00 WATR
+ATOM 724 HT HOH 99 -13.612 12.2509 17.9583 1.00 0.00 WATR
+ATOM 725 OT HOH 100 -12.855 9.20189 20.4215 1.00 0.00 WATR
+ATOM 726 HT HOH 100 -12.098 9.78777 20.4215 1.00 0.00 WATR
+ATOM 727 HT HOH 100 -13.612 9.78777 20.4215 1.00 0.00 WATR
+ATOM 728 OT HOH 101 -12.855 9.20189 25.3479 1.00 0.00 WATR
+ATOM 729 HT HOH 101 -12.098 9.78777 25.3479 1.00 0.00 WATR
+ATOM 730 HT HOH 101 -13.612 9.78777 25.3479 1.00 0.00 WATR
+ATOM 731 OT HOH 102 -10.392 9.20189 27.8111 1.00 0.00 WATR
+ATOM 732 HT HOH 102 -9.6352 9.78777 27.8111 1.00 0.00 WATR
+ATOM 733 HT HOH 102 -11.149 9.78777 27.8111 1.00 0.00 WATR
+ATOM 734 OT HOH 103 -12.855 11.6651 27.8111 1.00 0.00 WATR
+ATOM 735 HT HOH 103 -12.098 12.2509 27.8111 1.00 0.00 WATR
+ATOM 736 HT HOH 103 -13.612 12.2509 27.8111 1.00 0.00 WATR
+ATOM 737 OT HOH 104 -12.855 9.20189 30.2743 1.00 0.00 WATR
+ATOM 738 HT HOH 104 -12.098 9.78777 30.2743 1.00 0.00 WATR
+ATOM 739 HT HOH 104 -13.612 9.78777 30.2743 1.00 0.00 WATR
+ATOM 740 OT HOH 105 -10.392 11.6651 30.2743 1.00 0.00 WATR
+ATOM 741 HT HOH 105 -9.6352 12.2509 30.2743 1.00 0.00 WATR
+ATOM 742 HT HOH 105 -11.149 12.2509 30.2743 1.00 0.00 WATR
+ATOM 743 OT HOH 106 -10.392 9.20189 32.7375 1.00 0.00 WATR
+ATOM 744 HT HOH 106 -9.6352 9.78777 32.7375 1.00 0.00 WATR
+ATOM 745 HT HOH 106 -11.149 9.78777 32.7375 1.00 0.00 WATR
+ATOM 746 OT HOH 107 -12.855 11.6651 32.7375 1.00 0.00 WATR
+ATOM 747 HT HOH 107 -12.098 12.2509 32.7375 1.00 0.00 WATR
+ATOM 748 HT HOH 107 -13.612 12.2509 32.7375 1.00 0.00 WATR
+ATOM 749 OT HOH 108 -12.855 14.1283 -4.2105 1.00 0.00 WATR
+ATOM 750 HT HOH 108 -12.098 14.7141 -4.2105 1.00 0.00 WATR
+ATOM 751 HT HOH 108 -13.612 14.7141 -4.2105 1.00 0.00 WATR
+ATOM 752 OT HOH 109 -10.392 16.5915 -4.2105 1.00 0.00 WATR
+ATOM 753 HT HOH 109 -9.6352 17.1773 -4.2105 1.00 0.00 WATR
+ATOM 754 HT HOH 109 -11.149 17.1773 -4.2105 1.00 0.00 WATR
+ATOM 755 OT HOH 110 -10.392 14.1283 -1.7473 1.00 0.00 WATR
+ATOM 756 HT HOH 110 -9.6352 14.7141 -1.7473 1.00 0.00 WATR
+ATOM 757 HT HOH 110 -11.149 14.7141 -1.7473 1.00 0.00 WATR
+ATOM 758 OT HOH 111 -12.855 16.5915 -1.7473 1.00 0.00 WATR
+ATOM 759 HT HOH 111 -12.098 17.1773 -1.7473 1.00 0.00 WATR
+ATOM 760 HT HOH 111 -13.612 17.1773 -1.7473 1.00 0.00 WATR
+ATOM 761 OT HOH 112 -12.855 16.5915 8.10548 1.00 0.00 WATR
+ATOM 762 HT HOH 112 -12.098 17.1773 8.10548 1.00 0.00 WATR
+ATOM 763 HT HOH 112 -13.612 17.1773 8.10548 1.00 0.00 WATR
+ATOM 764 OT HOH 113 -12.855 14.1283 10.5686 1.00 0.00 WATR
+ATOM 765 HT HOH 113 -12.098 14.7141 10.5686 1.00 0.00 WATR
+ATOM 766 HT HOH 113 -13.612 14.7141 10.5686 1.00 0.00 WATR
+ATOM 767 OT HOH 114 -10.392 16.5915 10.5686 1.00 0.00 WATR
+ATOM 768 HT HOH 114 -9.6352 17.1773 10.5686 1.00 0.00 WATR
+ATOM 769 HT HOH 114 -11.149 17.1773 10.5686 1.00 0.00 WATR
+ATOM 770 OT HOH 115 -10.392 14.1283 13.0318 1.00 0.00 WATR
+ATOM 771 HT HOH 115 -9.6352 14.7141 13.0318 1.00 0.00 WATR
+ATOM 772 HT HOH 115 -11.149 14.7141 13.0318 1.00 0.00 WATR
+ATOM 773 OT HOH 116 -12.855 16.5915 13.0318 1.00 0.00 WATR
+ATOM 774 HT HOH 116 -12.098 17.1773 13.0318 1.00 0.00 WATR
+ATOM 775 HT HOH 116 -13.612 17.1773 13.0318 1.00 0.00 WATR
+ATOM 776 OT HOH 117 -12.855 14.1283 15.4951 1.00 0.00 WATR
+ATOM 777 HT HOH 117 -12.098 14.7141 15.4951 1.00 0.00 WATR
+ATOM 778 HT HOH 117 -13.612 14.7141 15.4951 1.00 0.00 WATR
+ATOM 779 OT HOH 118 -10.392 14.1283 27.8111 1.00 0.00 WATR
+ATOM 780 HT HOH 118 -9.6352 14.7141 27.8111 1.00 0.00 WATR
+ATOM 781 HT HOH 118 -11.149 14.7141 27.8111 1.00 0.00 WATR
+ATOM 782 OT HOH 119 -12.855 16.5915 27.8111 1.00 0.00 WATR
+ATOM 783 HT HOH 119 -12.098 17.1773 27.8111 1.00 0.00 WATR
+ATOM 784 HT HOH 119 -13.612 17.1773 27.8111 1.00 0.00 WATR
+ATOM 785 OT HOH 120 -12.855 14.1283 30.2743 1.00 0.00 WATR
+ATOM 786 HT HOH 120 -12.098 14.7141 30.2743 1.00 0.00 WATR
+ATOM 787 HT HOH 120 -13.612 14.7141 30.2743 1.00 0.00 WATR
+ATOM 788 OT HOH 121 -10.392 16.5915 30.2743 1.00 0.00 WATR
+ATOM 789 HT HOH 121 -9.6352 17.1773 30.2743 1.00 0.00 WATR
+ATOM 790 HT HOH 121 -11.149 17.1773 30.2743 1.00 0.00 WATR
+ATOM 791 OT HOH 122 -10.392 14.1283 32.7375 1.00 0.00 WATR
+ATOM 792 HT HOH 122 -9.6352 14.7141 32.7375 1.00 0.00 WATR
+ATOM 793 HT HOH 122 -11.149 14.7141 32.7375 1.00 0.00 WATR
+ATOM 794 OT HOH 123 -12.855 16.5915 32.7375 1.00 0.00 WATR
+ATOM 795 HT HOH 123 -12.098 17.1773 32.7375 1.00 0.00 WATR
+ATOM 796 HT HOH 123 -13.612 17.1773 32.7375 1.00 0.00 WATR
+ATOM 797 OT HOH 124 -12.855 19.0547 -4.2105 1.00 0.00 WATR
+ATOM 798 HT HOH 124 -12.098 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 799 HT HOH 124 -13.612 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 800 OT HOH 125 -10.392 21.5179 -4.2105 1.00 0.00 WATR
+ATOM 801 HT HOH 125 -9.6352 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 802 HT HOH 125 -11.149 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 803 OT HOH 126 -10.392 19.0547 -1.7473 1.00 0.00 WATR
+ATOM 804 HT HOH 126 -9.6352 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 805 HT HOH 126 -11.149 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 806 OT HOH 127 -12.855 21.5179 -1.7473 1.00 0.00 WATR
+ATOM 807 HT HOH 127 -12.098 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 808 HT HOH 127 -13.612 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 809 OT HOH 128 -12.855 19.0547 0.71587 1.00 0.00 WATR
+ATOM 810 HT HOH 128 -12.098 19.6406 0.71587 1.00 0.00 WATR
+ATOM 811 HT HOH 128 -13.612 19.6406 0.71587 1.00 0.00 WATR
+ATOM 812 OT HOH 129 -10.392 21.5179 0.71587 1.00 0.00 WATR
+ATOM 813 HT HOH 129 -9.6352 22.1038 0.71587 1.00 0.00 WATR
+ATOM 814 HT HOH 129 -11.149 22.1038 0.71587 1.00 0.00 WATR
+ATOM 815 OT HOH 130 -10.392 19.0547 3.17907 1.00 0.00 WATR
+ATOM 816 HT HOH 130 -9.6352 19.6406 3.17907 1.00 0.00 WATR
+ATOM 817 HT HOH 130 -11.149 19.6406 3.17907 1.00 0.00 WATR
+ATOM 818 OT HOH 131 -12.855 21.5179 3.17907 1.00 0.00 WATR
+ATOM 819 HT HOH 131 -12.098 22.1038 3.17907 1.00 0.00 WATR
+ATOM 820 HT HOH 131 -13.612 22.1038 3.17907 1.00 0.00 WATR
+ATOM 821 OT HOH 132 -12.855 19.0547 5.64228 1.00 0.00 WATR
+ATOM 822 HT HOH 132 -12.098 19.6406 5.64228 1.00 0.00 WATR
+ATOM 823 HT HOH 132 -13.612 19.6406 5.64228 1.00 0.00 WATR
+ATOM 824 SOD ION 133 -10.392 21.5179 5.64228 1.00 0.00 SALT
+ATOM 825 OT HOH 134 -10.392 19.0547 8.10548 1.00 0.00 WATR
+ATOM 826 HT HOH 134 -9.6352 19.6406 8.10548 1.00 0.00 WATR
+ATOM 827 HT HOH 134 -11.149 19.6406 8.10548 1.00 0.00 WATR
+ATOM 828 OT HOH 135 -12.855 21.5179 8.10548 1.00 0.00 WATR
+ATOM 829 HT HOH 135 -12.098 22.1038 8.10548 1.00 0.00 WATR
+ATOM 830 HT HOH 135 -13.612 22.1038 8.10548 1.00 0.00 WATR
+ATOM 831 OT HOH 136 -12.855 19.0547 10.5686 1.00 0.00 WATR
+ATOM 832 HT HOH 136 -12.098 19.6406 10.5686 1.00 0.00 WATR
+ATOM 833 HT HOH 136 -13.612 19.6406 10.5686 1.00 0.00 WATR
+ATOM 834 OT HOH 137 -10.392 21.5179 10.5686 1.00 0.00 WATR
+ATOM 835 HT HOH 137 -9.6352 22.1038 10.5686 1.00 0.00 WATR
+ATOM 836 HT HOH 137 -11.149 22.1038 10.5686 1.00 0.00 WATR
+ATOM 837 OT HOH 138 -12.855 21.5179 13.0318 1.00 0.00 WATR
+ATOM 838 HT HOH 138 -12.098 22.1038 13.0318 1.00 0.00 WATR
+ATOM 839 HT HOH 138 -13.612 22.1038 13.0318 1.00 0.00 WATR
+ATOM 840 OT HOH 139 -10.392 21.5179 15.4951 1.00 0.00 WATR
+ATOM 841 HT HOH 139 -9.6352 22.1038 15.4951 1.00 0.00 WATR
+ATOM 842 HT HOH 139 -11.149 22.1038 15.4951 1.00 0.00 WATR
+ATOM 843 OT HOH 140 -12.855 21.5179 17.9583 1.00 0.00 WATR
+ATOM 844 HT HOH 140 -12.098 22.1038 17.9583 1.00 0.00 WATR
+ATOM 845 HT HOH 140 -13.612 22.1038 17.9583 1.00 0.00 WATR
+ATOM 846 OT HOH 141 -12.855 19.0547 20.4215 1.00 0.00 WATR
+ATOM 847 HT HOH 141 -12.098 19.6406 20.4215 1.00 0.00 WATR
+ATOM 848 HT HOH 141 -13.612 19.6406 20.4215 1.00 0.00 WATR
+ATOM 849 OT HOH 142 -10.392 21.5179 20.4215 1.00 0.00 WATR
+ATOM 850 HT HOH 142 -9.6352 22.1038 20.4215 1.00 0.00 WATR
+ATOM 851 HT HOH 142 -11.149 22.1038 20.4215 1.00 0.00 WATR
+ATOM 852 OT HOH 143 -10.392 19.0547 22.8847 1.00 0.00 WATR
+ATOM 853 HT HOH 143 -9.6352 19.6406 22.8847 1.00 0.00 WATR
+ATOM 854 HT HOH 143 -11.149 19.6406 22.8847 1.00 0.00 WATR
+ATOM 855 OT HOH 144 -12.855 21.5179 22.8847 1.00 0.00 WATR
+ATOM 856 HT HOH 144 -12.098 22.1038 22.8847 1.00 0.00 WATR
+ATOM 857 HT HOH 144 -13.612 22.1038 22.8847 1.00 0.00 WATR
+ATOM 858 SOD ION 145 -12.855 19.0547 25.3479 1.00 0.00 SALT
+ATOM 859 OT HOH 146 -10.392 21.5179 25.3479 1.00 0.00 WATR
+ATOM 860 HT HOH 146 -9.6352 22.1038 25.3479 1.00 0.00 WATR
+ATOM 861 HT HOH 146 -11.149 22.1038 25.3479 1.00 0.00 WATR
+ATOM 862 OT HOH 147 -10.392 19.0547 27.8111 1.00 0.00 WATR
+ATOM 863 HT HOH 147 -9.6352 19.6406 27.8111 1.00 0.00 WATR
+ATOM 864 HT HOH 147 -11.149 19.6406 27.8111 1.00 0.00 WATR
+ATOM 865 SOD ION 148 -12.855 21.5179 27.8111 1.00 0.00 SALT
+ATOM 866 OT HOH 149 -12.855 19.0547 30.2743 1.00 0.00 WATR
+ATOM 867 HT HOH 149 -12.098 19.6406 30.2743 1.00 0.00 WATR
+ATOM 868 HT HOH 149 -13.612 19.6406 30.2743 1.00 0.00 WATR
+ATOM 869 OT HOH 150 -10.392 21.5179 30.2743 1.00 0.00 WATR
+ATOM 870 HT HOH 150 -9.6352 22.1038 30.2743 1.00 0.00 WATR
+ATOM 871 HT HOH 150 -11.149 22.1038 30.2743 1.00 0.00 WATR
+ATOM 872 OT HOH 151 -10.392 19.0547 32.7375 1.00 0.00 WATR
+ATOM 873 HT HOH 151 -9.6352 19.6406 32.7375 1.00 0.00 WATR
+ATOM 874 HT HOH 151 -11.149 19.6406 32.7375 1.00 0.00 WATR
+ATOM 875 OT HOH 152 -12.855 21.5179 32.7375 1.00 0.00 WATR
+ATOM 876 HT HOH 152 -12.098 22.1038 32.7375 1.00 0.00 WATR
+ATOM 877 HT HOH 152 -13.612 22.1038 32.7375 1.00 0.00 WATR
+ATOM 878 OT HOH 153 -7.9290 -0.6509 -4.2105 1.00 0.00 WATR
+ATOM 879 HT HOH 153 -7.1720 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 880 HT HOH 153 -8.6859 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 881 OT HOH 154 -5.4658 1.81228 -4.2105 1.00 0.00 WATR
+ATOM 882 HT HOH 154 -4.7088 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 883 HT HOH 154 -6.2227 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 884 OT HOH 155 -5.4658 -0.6509 -1.7473 1.00 0.00 WATR
+ATOM 885 HT HOH 155 -4.7088 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 886 HT HOH 155 -6.2227 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 887 OT HOH 156 -7.9290 1.81228 -1.7473 1.00 0.00 WATR
+ATOM 888 HT HOH 156 -7.1720 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 889 HT HOH 156 -8.6859 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 890 OT HOH 157 -7.9290 -0.6509 0.71587 1.00 0.00 WATR
+ATOM 891 HT HOH 157 -7.1720 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 892 HT HOH 157 -8.6859 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 893 OT HOH 158 -5.4658 1.81228 0.71587 1.00 0.00 WATR
+ATOM 894 HT HOH 158 -4.7088 2.39816 0.71587 1.00 0.00 WATR
+ATOM 895 HT HOH 158 -6.2227 2.39816 0.71587 1.00 0.00 WATR
+ATOM 896 OT HOH 159 -5.4658 -0.6509 3.17907 1.00 0.00 WATR
+ATOM 897 HT HOH 159 -4.7088 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 898 HT HOH 159 -6.2227 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 899 OT HOH 160 -7.9290 1.81228 3.17907 1.00 0.00 WATR
+ATOM 900 HT HOH 160 -7.1720 2.39816 3.17907 1.00 0.00 WATR
+ATOM 901 HT HOH 160 -8.6859 2.39816 3.17907 1.00 0.00 WATR
+ATOM 902 OT HOH 161 -7.9290 -0.6509 5.64228 1.00 0.00 WATR
+ATOM 903 HT HOH 161 -7.1720 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 904 HT HOH 161 -8.6859 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 905 OT HOH 162 -5.4658 1.81228 5.64228 1.00 0.00 WATR
+ATOM 906 HT HOH 162 -4.7088 2.39816 5.64228 1.00 0.00 WATR
+ATOM 907 HT HOH 162 -6.2227 2.39816 5.64228 1.00 0.00 WATR
+ATOM 908 OT HOH 163 -5.4658 -0.6509 8.10548 1.00 0.00 WATR
+ATOM 909 HT HOH 163 -4.7088 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 910 HT HOH 163 -6.2227 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 911 OT HOH 164 -7.9290 -0.6509 10.5686 1.00 0.00 WATR
+ATOM 912 HT HOH 164 -7.1720 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 913 HT HOH 164 -8.6859 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 914 OT HOH 165 -5.4658 1.81228 10.5686 1.00 0.00 WATR
+ATOM 915 HT HOH 165 -4.7088 2.39816 10.5686 1.00 0.00 WATR
+ATOM 916 HT HOH 165 -6.2227 2.39816 10.5686 1.00 0.00 WATR
+ATOM 917 OT HOH 166 -5.4658 -0.6509 17.9583 1.00 0.00 WATR
+ATOM 918 HT HOH 166 -4.7088 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 919 HT HOH 166 -6.2227 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 920 OT HOH 167 -7.9290 1.81228 17.9583 1.00 0.00 WATR
+ATOM 921 HT HOH 167 -7.1720 2.39816 17.9583 1.00 0.00 WATR
+ATOM 922 HT HOH 167 -8.6859 2.39816 17.9583 1.00 0.00 WATR
+ATOM 923 OT HOH 168 -7.9290 -0.6509 20.4215 1.00 0.00 WATR
+ATOM 924 HT HOH 168 -7.1720 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 925 HT HOH 168 -8.6859 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 926 OT HOH 169 -5.4658 -0.6509 22.8847 1.00 0.00 WATR
+ATOM 927 HT HOH 169 -4.7088 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 928 HT HOH 169 -6.2227 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 929 OT HOH 170 -7.9290 1.81228 22.8847 1.00 0.00 WATR
+ATOM 930 HT HOH 170 -7.1720 2.39816 22.8847 1.00 0.00 WATR
+ATOM 931 HT HOH 170 -8.6859 2.39816 22.8847 1.00 0.00 WATR
+ATOM 932 OT HOH 171 -7.9290 -0.6509 25.3479 1.00 0.00 WATR
+ATOM 933 HT HOH 171 -7.1720 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 934 HT HOH 171 -8.6859 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 935 OT HOH 172 -5.4658 1.81228 25.3479 1.00 0.00 WATR
+ATOM 936 HT HOH 172 -4.7088 2.39816 25.3479 1.00 0.00 WATR
+ATOM 937 HT HOH 172 -6.2227 2.39816 25.3479 1.00 0.00 WATR
+ATOM 938 OT HOH 173 -5.4658 -0.6509 27.8111 1.00 0.00 WATR
+ATOM 939 HT HOH 173 -4.7088 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 940 HT HOH 173 -6.2227 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 941 OT HOH 174 -7.9290 1.81228 27.8111 1.00 0.00 WATR
+ATOM 942 HT HOH 174 -7.1720 2.39816 27.8111 1.00 0.00 WATR
+ATOM 943 HT HOH 174 -8.6859 2.39816 27.8111 1.00 0.00 WATR
+ATOM 944 OT HOH 175 -7.9290 -0.6509 30.2743 1.00 0.00 WATR
+ATOM 945 HT HOH 175 -7.1720 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 946 HT HOH 175 -8.6859 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 947 OT HOH 176 -5.4658 1.81228 30.2743 1.00 0.00 WATR
+ATOM 948 HT HOH 176 -4.7088 2.39816 30.2743 1.00 0.00 WATR
+ATOM 949 HT HOH 176 -6.2227 2.39816 30.2743 1.00 0.00 WATR
+ATOM 950 OT HOH 177 -5.4658 -0.6509 32.7375 1.00 0.00 WATR
+ATOM 951 HT HOH 177 -4.7088 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 952 HT HOH 177 -6.2227 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 953 OT HOH 178 -7.9290 1.81228 32.7375 1.00 0.00 WATR
+ATOM 954 HT HOH 178 -7.1720 2.39816 32.7375 1.00 0.00 WATR
+ATOM 955 HT HOH 178 -8.6859 2.39816 32.7375 1.00 0.00 WATR
+ATOM 956 OT HOH 179 -7.9290 4.27548 -4.2105 1.00 0.00 WATR
+ATOM 957 HT HOH 179 -7.1720 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 958 HT HOH 179 -8.6859 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 959 OT HOH 180 -5.4658 6.73869 -4.2105 1.00 0.00 WATR
+ATOM 960 HT HOH 180 -4.7088 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 961 HT HOH 180 -6.2227 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 962 OT HOH 181 -5.4658 4.27548 -1.7473 1.00 0.00 WATR
+ATOM 963 HT HOH 181 -4.7088 4.86136 -1.7473 1.00 0.00 WATR
+ATOM 964 HT HOH 181 -6.2227 4.86136 -1.7473 1.00 0.00 WATR
+ATOM 965 OT HOH 182 -7.9290 6.73869 -1.7473 1.00 0.00 WATR
+ATOM 966 HT HOH 182 -7.1720 7.32457 -1.7473 1.00 0.00 WATR
+ATOM 967 HT HOH 182 -8.6859 7.32457 -1.7473 1.00 0.00 WATR
+ATOM 968 OT HOH 183 -7.9290 4.27548 0.71587 1.00 0.00 WATR
+ATOM 969 HT HOH 183 -7.1720 4.86136 0.71587 1.00 0.00 WATR
+ATOM 970 HT HOH 183 -8.6859 4.86136 0.71587 1.00 0.00 WATR
+ATOM 971 OT HOH 184 -5.4658 6.73869 0.71587 1.00 0.00 WATR
+ATOM 972 HT HOH 184 -4.7088 7.32457 0.71587 1.00 0.00 WATR
+ATOM 973 HT HOH 184 -6.2227 7.32457 0.71587 1.00 0.00 WATR
+ATOM 974 OT HOH 185 -5.4658 4.27548 3.17907 1.00 0.00 WATR
+ATOM 975 HT HOH 185 -4.7088 4.86136 3.17907 1.00 0.00 WATR
+ATOM 976 HT HOH 185 -6.2227 4.86136 3.17907 1.00 0.00 WATR
+ATOM 977 OT HOH 186 -7.9290 6.73869 3.17907 1.00 0.00 WATR
+ATOM 978 HT HOH 186 -7.1720 7.32457 3.17907 1.00 0.00 WATR
+ATOM 979 HT HOH 186 -8.6859 7.32457 3.17907 1.00 0.00 WATR
+ATOM 980 OT HOH 187 -7.9290 4.27548 5.64228 1.00 0.00 WATR
+ATOM 981 HT HOH 187 -7.1720 4.86136 5.64228 1.00 0.00 WATR
+ATOM 982 HT HOH 187 -8.6859 4.86136 5.64228 1.00 0.00 WATR
+ATOM 983 OT HOH 188 -7.9290 6.73869 17.9583 1.00 0.00 WATR
+ATOM 984 HT HOH 188 -7.1720 7.32457 17.9583 1.00 0.00 WATR
+ATOM 985 HT HOH 188 -8.6859 7.32457 17.9583 1.00 0.00 WATR
+ATOM 986 OT HOH 189 -7.9290 4.27548 20.4215 1.00 0.00 WATR
+ATOM 987 HT HOH 189 -7.1720 4.86136 20.4215 1.00 0.00 WATR
+ATOM 988 HT HOH 189 -8.6859 4.86136 20.4215 1.00 0.00 WATR
+ATOM 989 OT HOH 190 -7.9290 4.27548 25.3479 1.00 0.00 WATR
+ATOM 990 HT HOH 190 -7.1720 4.86136 25.3479 1.00 0.00 WATR
+ATOM 991 HT HOH 190 -8.6859 4.86136 25.3479 1.00 0.00 WATR
+ATOM 992 OT HOH 191 -5.4658 4.27548 27.8111 1.00 0.00 WATR
+ATOM 993 HT HOH 191 -4.7088 4.86136 27.8111 1.00 0.00 WATR
+ATOM 994 HT HOH 191 -6.2227 4.86136 27.8111 1.00 0.00 WATR
+ATOM 995 OT HOH 192 -7.9290 4.27548 30.2743 1.00 0.00 WATR
+ATOM 996 HT HOH 192 -7.1720 4.86136 30.2743 1.00 0.00 WATR
+ATOM 997 HT HOH 192 -8.6859 4.86136 30.2743 1.00 0.00 WATR
+ATOM 998 OT HOH 193 -5.4658 6.73869 30.2743 1.00 0.00 WATR
+ATOM 999 HT HOH 193 -4.7088 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1000 HT HOH 193 -6.2227 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1001 OT HOH 194 -5.4658 4.27548 32.7375 1.00 0.00 WATR
+ATOM 1002 HT HOH 194 -4.7088 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1003 HT HOH 194 -6.2227 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1004 OT HOH 195 -7.9290 6.73869 32.7375 1.00 0.00 WATR
+ATOM 1005 HT HOH 195 -7.1720 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1006 HT HOH 195 -8.6859 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1007 OT HOH 196 -7.9290 9.20189 -4.2105 1.00 0.00 WATR
+ATOM 1008 HT HOH 196 -7.1720 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1009 HT HOH 196 -8.6859 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1010 SOD ION 197 -7.9290 9.20189 0.71587 1.00 0.00 SALT
+ATOM 1011 OT HOH 198 -7.9290 9.20189 15.4951 1.00 0.00 WATR
+ATOM 1012 HT HOH 198 -7.1720 9.78777 15.4951 1.00 0.00 WATR
+ATOM 1013 HT HOH 198 -8.6859 9.78777 15.4951 1.00 0.00 WATR
+ATOM 1014 OT HOH 199 -5.4658 9.20189 32.7375 1.00 0.00 WATR
+ATOM 1015 HT HOH 199 -4.7088 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1016 HT HOH 199 -6.2227 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1017 OT HOH 200 -7.9290 11.6651 32.7375 1.00 0.00 WATR
+ATOM 1018 HT HOH 200 -7.1720 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1019 HT HOH 200 -8.6859 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1020 OT HOH 201 -7.9290 14.1283 -4.2105 1.00 0.00 WATR
+ATOM 1021 HT HOH 201 -7.1720 14.7141 -4.2105 1.00 0.00 WATR
+ATOM 1022 HT HOH 201 -8.6859 14.7141 -4.2105 1.00 0.00 WATR
+ATOM 1023 OT HOH 202 -7.9290 16.5915 8.10548 1.00 0.00 WATR
+ATOM 1024 HT HOH 202 -7.1720 17.1773 8.10548 1.00 0.00 WATR
+ATOM 1025 HT HOH 202 -8.6859 17.1773 8.10548 1.00 0.00 WATR
+ATOM 1026 OT HOH 203 -7.9290 14.1283 10.5686 1.00 0.00 WATR
+ATOM 1027 HT HOH 203 -7.1720 14.7141 10.5686 1.00 0.00 WATR
+ATOM 1028 HT HOH 203 -8.6859 14.7141 10.5686 1.00 0.00 WATR
+ATOM 1029 OT HOH 204 -7.9290 16.5915 27.8111 1.00 0.00 WATR
+ATOM 1030 HT HOH 204 -7.1720 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1031 HT HOH 204 -8.6859 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1032 OT HOH 205 -7.9290 14.1283 30.2743 1.00 0.00 WATR
+ATOM 1033 HT HOH 205 -7.1720 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1034 HT HOH 205 -8.6859 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1035 OT HOH 206 -5.4658 16.5915 30.2743 1.00 0.00 WATR
+ATOM 1036 HT HOH 206 -4.7088 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1037 HT HOH 206 -6.2227 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1038 OT HOH 207 -7.9290 16.5915 32.7375 1.00 0.00 WATR
+ATOM 1039 HT HOH 207 -7.1720 17.1773 32.7375 1.00 0.00 WATR
+ATOM 1040 HT HOH 207 -8.6859 17.1773 32.7375 1.00 0.00 WATR
+ATOM 1041 OT HOH 208 -7.9290 19.0547 -4.2105 1.00 0.00 WATR
+ATOM 1042 HT HOH 208 -7.1720 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 1043 HT HOH 208 -8.6859 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 1044 OT HOH 209 -5.4658 21.5179 -4.2105 1.00 0.00 WATR
+ATOM 1045 HT HOH 209 -4.7088 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1046 HT HOH 209 -6.2227 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1047 OT HOH 210 -7.9290 21.5179 -1.7473 1.00 0.00 WATR
+ATOM 1048 HT HOH 210 -7.1720 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1049 HT HOH 210 -8.6859 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1050 OT HOH 211 -7.9290 21.5179 3.17907 1.00 0.00 WATR
+ATOM 1051 HT HOH 211 -7.1720 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1052 HT HOH 211 -8.6859 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1053 OT HOH 212 -7.9290 19.0547 5.64228 1.00 0.00 WATR
+ATOM 1054 HT HOH 212 -7.1720 19.6406 5.64228 1.00 0.00 WATR
+ATOM 1055 HT HOH 212 -8.6859 19.6406 5.64228 1.00 0.00 WATR
+ATOM 1056 OT HOH 213 -5.4658 21.5179 5.64228 1.00 0.00 WATR
+ATOM 1057 HT HOH 213 -4.7088 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1058 HT HOH 213 -6.2227 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1059 OT HOH 214 -7.9290 21.5179 8.10548 1.00 0.00 WATR
+ATOM 1060 HT HOH 214 -7.1720 22.1038 8.10548 1.00 0.00 WATR
+ATOM 1061 HT HOH 214 -8.6859 22.1038 8.10548 1.00 0.00 WATR
+ATOM 1062 SOD ION 215 -5.4658 21.5179 20.4215 1.00 0.00 SALT
+ATOM 1063 OT HOH 216 -7.9290 21.5179 22.8847 1.00 0.00 WATR
+ATOM 1064 HT HOH 216 -7.1720 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1065 HT HOH 216 -8.6859 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1066 OT HOH 217 -5.4658 21.5179 25.3479 1.00 0.00 WATR
+ATOM 1067 HT HOH 217 -4.7088 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1068 HT HOH 217 -6.2227 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1069 OT HOH 218 -5.4658 19.0547 27.8111 1.00 0.00 WATR
+ATOM 1070 HT HOH 218 -4.7088 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1071 HT HOH 218 -6.2227 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1072 OT HOH 219 -7.9290 21.5179 27.8111 1.00 0.00 WATR
+ATOM 1073 HT HOH 219 -7.1720 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1074 HT HOH 219 -8.6859 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1075 OT HOH 220 -7.9290 19.0547 30.2743 1.00 0.00 WATR
+ATOM 1076 HT HOH 220 -7.1720 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1077 HT HOH 220 -8.6859 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1078 OT HOH 221 -5.4658 21.5179 30.2743 1.00 0.00 WATR
+ATOM 1079 HT HOH 221 -4.7088 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1080 HT HOH 221 -6.2227 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1081 OT HOH 222 -5.4658 19.0547 32.7375 1.00 0.00 WATR
+ATOM 1082 HT HOH 222 -4.7088 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1083 HT HOH 222 -6.2227 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1084 OT HOH 223 -7.9290 21.5179 32.7375 1.00 0.00 WATR
+ATOM 1085 HT HOH 223 -7.1720 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1086 HT HOH 223 -8.6859 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1087 OT HOH 224 -3.0026 -0.6509 -4.2105 1.00 0.00 WATR
+ATOM 1088 HT HOH 224 -2.2456 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 1089 HT HOH 224 -3.7595 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 1090 OT HOH 225 -0.5393 1.81228 -4.2105 1.00 0.00 WATR
+ATOM 1091 HT HOH 225 0.21755 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 1092 HT HOH 225 -1.2963 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 1093 OT HOH 226 -0.5393 -0.6509 -1.7473 1.00 0.00 WATR
+ATOM 1094 HT HOH 226 0.21755 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 1095 HT HOH 226 -1.2963 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 1096 OT HOH 227 -3.0026 1.81228 -1.7473 1.00 0.00 WATR
+ATOM 1097 HT HOH 227 -2.2456 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 1098 HT HOH 227 -3.7595 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 1099 OT HOH 228 -3.0026 -0.6509 0.71587 1.00 0.00 WATR
+ATOM 1100 HT HOH 228 -2.2456 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 1101 HT HOH 228 -3.7595 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 1102 OT HOH 229 -0.5393 1.81228 0.71587 1.00 0.00 WATR
+ATOM 1103 HT HOH 229 0.21755 2.39816 0.71587 1.00 0.00 WATR
+ATOM 1104 HT HOH 229 -1.2963 2.39816 0.71587 1.00 0.00 WATR
+ATOM 1105 OT HOH 230 -0.5393 -0.6509 3.17907 1.00 0.00 WATR
+ATOM 1106 HT HOH 230 0.21755 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 1107 HT HOH 230 -1.2963 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 1108 OT HOH 231 -3.0026 1.81228 3.17907 1.00 0.00 WATR
+ATOM 1109 HT HOH 231 -2.2456 2.39816 3.17907 1.00 0.00 WATR
+ATOM 1110 HT HOH 231 -3.7595 2.39816 3.17907 1.00 0.00 WATR
+ATOM 1111 OT HOH 232 -3.0026 -0.6509 5.64228 1.00 0.00 WATR
+ATOM 1112 HT HOH 232 -2.2456 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1113 HT HOH 232 -3.7595 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1114 OT HOH 233 -0.5393 1.81228 5.64228 1.00 0.00 WATR
+ATOM 1115 HT HOH 233 0.21755 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1116 HT HOH 233 -1.2963 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1117 OT HOH 234 -0.5393 -0.6509 8.10548 1.00 0.00 WATR
+ATOM 1118 HT HOH 234 0.21755 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1119 HT HOH 234 -1.2963 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1120 OT HOH 235 -3.0026 1.81228 8.10548 1.00 0.00 WATR
+ATOM 1121 HT HOH 235 -2.2456 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1122 HT HOH 235 -3.7595 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1123 OT HOH 236 -3.0026 -0.6509 10.5686 1.00 0.00 WATR
+ATOM 1124 HT HOH 236 -2.2456 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1125 HT HOH 236 -3.7595 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1126 OT HOH 237 -0.5393 1.81228 10.5686 1.00 0.00 WATR
+ATOM 1127 HT HOH 237 0.21755 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1128 HT HOH 237 -1.2963 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1129 OT HOH 238 -0.5393 -0.6509 13.0318 1.00 0.00 WATR
+ATOM 1130 HT HOH 238 0.21755 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1131 HT HOH 238 -1.2963 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1132 OT HOH 239 -0.5393 -0.6509 17.9583 1.00 0.00 WATR
+ATOM 1133 HT HOH 239 0.21755 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1134 HT HOH 239 -1.2963 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1135 OT HOH 240 -3.0026 -0.6509 20.4215 1.00 0.00 WATR
+ATOM 1136 HT HOH 240 -2.2456 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1137 HT HOH 240 -3.7595 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1138 OT HOH 241 -0.5393 -0.6509 22.8847 1.00 0.00 WATR
+ATOM 1139 HT HOH 241 0.21755 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1140 HT HOH 241 -1.2963 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1141 OT HOH 242 -3.0026 1.81228 22.8847 1.00 0.00 WATR
+ATOM 1142 HT HOH 242 -2.2456 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1143 HT HOH 242 -3.7595 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1144 OT HOH 243 -3.0026 -0.6509 25.3479 1.00 0.00 WATR
+ATOM 1145 HT HOH 243 -2.2456 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1146 HT HOH 243 -3.7595 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1147 OT HOH 244 -0.5393 1.81228 25.3479 1.00 0.00 WATR
+ATOM 1148 HT HOH 244 0.21755 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1149 HT HOH 244 -1.2963 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1150 OT HOH 245 -0.5393 -0.6509 27.8111 1.00 0.00 WATR
+ATOM 1151 HT HOH 245 0.21755 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1152 HT HOH 245 -1.2963 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1153 OT HOH 246 -3.0026 1.81228 27.8111 1.00 0.00 WATR
+ATOM 1154 HT HOH 246 -2.2456 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1155 HT HOH 246 -3.7595 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1156 OT HOH 247 -3.0026 -0.6509 30.2743 1.00 0.00 WATR
+ATOM 1157 HT HOH 247 -2.2456 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1158 HT HOH 247 -3.7595 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1159 OT HOH 248 -0.5393 1.81228 30.2743 1.00 0.00 WATR
+ATOM 1160 HT HOH 248 0.21755 2.39816 30.2743 1.00 0.00 WATR
+ATOM 1161 HT HOH 248 -1.2963 2.39816 30.2743 1.00 0.00 WATR
+ATOM 1162 OT HOH 249 -0.5393 -0.6509 32.7375 1.00 0.00 WATR
+ATOM 1163 HT HOH 249 0.21755 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1164 HT HOH 249 -1.2963 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1165 OT HOH 250 -3.0026 1.81228 32.7375 1.00 0.00 WATR
+ATOM 1166 HT HOH 250 -2.2456 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1167 HT HOH 250 -3.7595 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1168 OT HOH 251 -3.0026 4.27548 -4.2105 1.00 0.00 WATR
+ATOM 1169 HT HOH 251 -2.2456 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 1170 HT HOH 251 -3.7595 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 1171 OT HOH 252 -0.5393 6.73869 -4.2105 1.00 0.00 WATR
+ATOM 1172 HT HOH 252 0.21755 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1173 HT HOH 252 -1.2963 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1174 OT HOH 253 -3.0026 4.27548 0.71587 1.00 0.00 WATR
+ATOM 1175 HT HOH 253 -2.2456 4.86136 0.71587 1.00 0.00 WATR
+ATOM 1176 HT HOH 253 -3.7595 4.86136 0.71587 1.00 0.00 WATR
+ATOM 1177 OT HOH 254 -3.0026 4.27548 5.64228 1.00 0.00 WATR
+ATOM 1178 HT HOH 254 -2.2456 4.86136 5.64228 1.00 0.00 WATR
+ATOM 1179 HT HOH 254 -3.7595 4.86136 5.64228 1.00 0.00 WATR
+ATOM 1180 OT HOH 255 -0.5393 4.27548 8.10548 1.00 0.00 WATR
+ATOM 1181 HT HOH 255 0.21755 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1182 HT HOH 255 -1.2963 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1183 OT HOH 256 -3.0026 4.27548 10.5686 1.00 0.00 WATR
+ATOM 1184 HT HOH 256 -2.2456 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1185 HT HOH 256 -3.7595 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1186 OT HOH 257 -0.5393 4.27548 13.0318 1.00 0.00 WATR
+ATOM 1187 HT HOH 257 0.21755 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1188 HT HOH 257 -1.2963 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1189 OT HOH 258 -0.5393 4.27548 27.8111 1.00 0.00 WATR
+ATOM 1190 HT HOH 258 0.21755 4.86136 27.8111 1.00 0.00 WATR
+ATOM 1191 HT HOH 258 -1.2963 4.86136 27.8111 1.00 0.00 WATR
+ATOM 1192 OT HOH 259 -3.0026 4.27548 30.2743 1.00 0.00 WATR
+ATOM 1193 HT HOH 259 -2.2456 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1194 HT HOH 259 -3.7595 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1195 OT HOH 260 -0.5393 6.73869 30.2743 1.00 0.00 WATR
+ATOM 1196 HT HOH 260 0.21755 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1197 HT HOH 260 -1.2963 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1198 OT HOH 261 -0.5393 4.27548 32.7375 1.00 0.00 WATR
+ATOM 1199 HT HOH 261 0.21755 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1200 HT HOH 261 -1.2963 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1201 OT HOH 262 -3.0026 6.73869 32.7375 1.00 0.00 WATR
+ATOM 1202 HT HOH 262 -2.2456 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1203 HT HOH 262 -3.7595 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1204 OT HOH 263 -0.5393 9.20189 32.7375 1.00 0.00 WATR
+ATOM 1205 HT HOH 263 0.21755 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1206 HT HOH 263 -1.2963 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1207 OT HOH 264 -0.5393 21.5179 -4.2105 1.00 0.00 WATR
+ATOM 1208 HT HOH 264 0.21755 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1209 HT HOH 264 -1.2963 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1210 OT HOH 265 -3.0026 21.5179 -1.7473 1.00 0.00 WATR
+ATOM 1211 HT HOH 265 -2.2456 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1212 HT HOH 265 -3.7595 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1213 OT HOH 266 -0.5393 21.5179 0.71587 1.00 0.00 WATR
+ATOM 1214 HT HOH 266 0.21755 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1215 HT HOH 266 -1.2963 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1216 OT HOH 267 -0.5393 19.0547 3.17907 1.00 0.00 WATR
+ATOM 1217 HT HOH 267 0.21755 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1218 HT HOH 267 -1.2963 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1219 OT HOH 268 -3.0026 21.5179 3.17907 1.00 0.00 WATR
+ATOM 1220 HT HOH 268 -2.2456 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1221 HT HOH 268 -3.7595 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1222 OT HOH 269 -3.0026 19.0547 5.64228 1.00 0.00 WATR
+ATOM 1223 HT HOH 269 -2.2456 19.6406 5.64228 1.00 0.00 WATR
+ATOM 1224 HT HOH 269 -3.7595 19.6406 5.64228 1.00 0.00 WATR
+ATOM 1225 OT HOH 270 -0.5393 21.5179 5.64228 1.00 0.00 WATR
+ATOM 1226 HT HOH 270 0.21755 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1227 HT HOH 270 -1.2963 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1228 OT HOH 271 -0.5393 21.5179 15.4951 1.00 0.00 WATR
+ATOM 1229 HT HOH 271 0.21755 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1230 HT HOH 271 -1.2963 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1231 OT HOH 272 -3.0026 21.5179 17.9583 1.00 0.00 WATR
+ATOM 1232 HT HOH 272 -2.2456 22.1038 17.9583 1.00 0.00 WATR
+ATOM 1233 HT HOH 272 -3.7595 22.1038 17.9583 1.00 0.00 WATR
+ATOM 1234 OT HOH 273 -0.5393 21.5179 20.4215 1.00 0.00 WATR
+ATOM 1235 HT HOH 273 0.21755 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1236 HT HOH 273 -1.2963 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1237 OT HOH 274 -0.5393 19.0547 22.8847 1.00 0.00 WATR
+ATOM 1238 HT HOH 274 0.21755 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1239 HT HOH 274 -1.2963 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1240 OT HOH 275 -3.0026 21.5179 22.8847 1.00 0.00 WATR
+ATOM 1241 HT HOH 275 -2.2456 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1242 HT HOH 275 -3.7595 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1243 OT HOH 276 -0.5393 21.5179 25.3479 1.00 0.00 WATR
+ATOM 1244 HT HOH 276 0.21755 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1245 HT HOH 276 -1.2963 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1246 OT HOH 277 -0.5393 19.0547 27.8111 1.00 0.00 WATR
+ATOM 1247 HT HOH 277 0.21755 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1248 HT HOH 277 -1.2963 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1249 OT HOH 278 -3.0026 21.5179 27.8111 1.00 0.00 WATR
+ATOM 1250 HT HOH 278 -2.2456 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1251 HT HOH 278 -3.7595 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1252 OT HOH 279 -3.0026 19.0547 30.2743 1.00 0.00 WATR
+ATOM 1253 HT HOH 279 -2.2456 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1254 HT HOH 279 -3.7595 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1255 OT HOH 280 -0.5393 21.5179 30.2743 1.00 0.00 WATR
+ATOM 1256 HT HOH 280 0.21755 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1257 HT HOH 280 -1.2963 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1258 OT HOH 281 -0.5393 19.0547 32.7375 1.00 0.00 WATR
+ATOM 1259 HT HOH 281 0.21755 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1260 HT HOH 281 -1.2963 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1261 OT HOH 282 -3.0026 21.5179 32.7375 1.00 0.00 WATR
+ATOM 1262 HT HOH 282 -2.2456 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1263 HT HOH 282 -3.7595 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1264 SOD ION 283 1.92380 -0.6509 -4.2105 1.00 0.00 SALT
+ATOM 1265 OT HOH 284 1.92380 1.81228 3.17907 1.00 0.00 WATR
+ATOM 1266 HT HOH 284 2.68075 2.39816 3.17907 1.00 0.00 WATR
+ATOM 1267 HT HOH 284 1.16685 2.39816 3.17907 1.00 0.00 WATR
+ATOM 1268 OT HOH 285 1.92380 -0.6509 5.64228 1.00 0.00 WATR
+ATOM 1269 HT HOH 285 2.68075 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1270 HT HOH 285 1.16685 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1271 OT HOH 286 4.38701 1.81228 5.64228 1.00 0.00 WATR
+ATOM 1272 HT HOH 286 5.14396 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1273 HT HOH 286 3.63006 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1274 OT HOH 287 4.38701 -0.6509 8.10548 1.00 0.00 WATR
+ATOM 1275 HT HOH 287 5.14396 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1276 HT HOH 287 3.63006 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1277 OT HOH 288 1.92380 1.81228 8.10548 1.00 0.00 WATR
+ATOM 1278 HT HOH 288 2.68075 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1279 HT HOH 288 1.16685 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1280 OT HOH 289 1.92380 -0.6509 10.5686 1.00 0.00 WATR
+ATOM 1281 HT HOH 289 2.68075 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1282 HT HOH 289 1.16685 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1283 OT HOH 290 4.38701 1.81228 10.5686 1.00 0.00 WATR
+ATOM 1284 HT HOH 290 5.14396 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1285 HT HOH 290 3.63006 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1286 OT HOH 291 4.38701 -0.6509 13.0318 1.00 0.00 WATR
+ATOM 1287 HT HOH 291 5.14396 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1288 HT HOH 291 3.63006 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1289 OT HOH 292 1.92380 1.81228 13.0318 1.00 0.00 WATR
+ATOM 1290 HT HOH 292 2.68075 2.39816 13.0318 1.00 0.00 WATR
+ATOM 1291 HT HOH 292 1.16685 2.39816 13.0318 1.00 0.00 WATR
+ATOM 1292 OT HOH 293 1.92380 -0.6509 15.4951 1.00 0.00 WATR
+ATOM 1293 HT HOH 293 2.68075 -0.0650 15.4951 1.00 0.00 WATR
+ATOM 1294 HT HOH 293 1.16685 -0.0650 15.4951 1.00 0.00 WATR
+ATOM 1295 OT HOH 294 4.38701 1.81228 15.4951 1.00 0.00 WATR
+ATOM 1296 HT HOH 294 5.14396 2.39816 15.4951 1.00 0.00 WATR
+ATOM 1297 HT HOH 294 3.63006 2.39816 15.4951 1.00 0.00 WATR
+ATOM 1298 OT HOH 295 4.38701 -0.6509 17.9583 1.00 0.00 WATR
+ATOM 1299 HT HOH 295 5.14396 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1300 HT HOH 295 3.63006 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1301 OT HOH 296 1.92380 -0.6509 20.4215 1.00 0.00 WATR
+ATOM 1302 HT HOH 296 2.68075 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1303 HT HOH 296 1.16685 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1304 OT HOH 297 4.38701 1.81228 20.4215 1.00 0.00 WATR
+ATOM 1305 HT HOH 297 5.14396 2.39816 20.4215 1.00 0.00 WATR
+ATOM 1306 HT HOH 297 3.63006 2.39816 20.4215 1.00 0.00 WATR
+ATOM 1307 OT HOH 298 4.38701 -0.6509 22.8847 1.00 0.00 WATR
+ATOM 1308 HT HOH 298 5.14396 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1309 HT HOH 298 3.63006 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1310 OT HOH 299 1.92380 1.81228 22.8847 1.00 0.00 WATR
+ATOM 1311 HT HOH 299 2.68075 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1312 HT HOH 299 1.16685 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1313 OT HOH 300 1.92380 -0.6509 25.3479 1.00 0.00 WATR
+ATOM 1314 HT HOH 300 2.68075 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1315 HT HOH 300 1.16685 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1316 OT HOH 301 4.38701 1.81228 25.3479 1.00 0.00 WATR
+ATOM 1317 HT HOH 301 5.14396 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1318 HT HOH 301 3.63006 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1319 OT HOH 302 4.38701 -0.6509 27.8111 1.00 0.00 WATR
+ATOM 1320 HT HOH 302 5.14396 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1321 HT HOH 302 3.63006 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1322 OT HOH 303 1.92380 1.81228 27.8111 1.00 0.00 WATR
+ATOM 1323 HT HOH 303 2.68075 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1324 HT HOH 303 1.16685 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1325 OT HOH 304 1.92380 -0.6509 30.2743 1.00 0.00 WATR
+ATOM 1326 HT HOH 304 2.68075 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1327 HT HOH 304 1.16685 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1328 OT HOH 305 4.38701 1.81228 30.2743 1.00 0.00 WATR
+ATOM 1329 HT HOH 305 5.14396 2.39816 30.2743 1.00 0.00 WATR
+ATOM 1330 HT HOH 305 3.63006 2.39816 30.2743 1.00 0.00 WATR
+ATOM 1331 OT HOH 306 4.38701 -0.6509 32.7375 1.00 0.00 WATR
+ATOM 1332 HT HOH 306 5.14396 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1333 HT HOH 306 3.63006 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1334 OT HOH 307 1.92380 1.81228 32.7375 1.00 0.00 WATR
+ATOM 1335 HT HOH 307 2.68075 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1336 HT HOH 307 1.16685 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1337 OT HOH 308 1.92380 4.27548 -4.2105 1.00 0.00 WATR
+ATOM 1338 HT HOH 308 2.68075 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 1339 HT HOH 308 1.16685 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 1340 OT HOH 309 4.38701 6.73869 -4.2105 1.00 0.00 WATR
+ATOM 1341 HT HOH 309 5.14396 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1342 HT HOH 309 3.63006 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1343 OT HOH 310 4.38701 4.27548 8.10548 1.00 0.00 WATR
+ATOM 1344 HT HOH 310 5.14396 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1345 HT HOH 310 3.63006 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1346 OT HOH 311 1.92380 6.73869 8.10548 1.00 0.00 WATR
+ATOM 1347 HT HOH 311 2.68075 7.32457 8.10548 1.00 0.00 WATR
+ATOM 1348 HT HOH 311 1.16685 7.32457 8.10548 1.00 0.00 WATR
+ATOM 1349 OT HOH 312 1.92380 4.27548 10.5686 1.00 0.00 WATR
+ATOM 1350 HT HOH 312 2.68075 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1351 HT HOH 312 1.16685 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1352 OT HOH 313 4.38701 6.73869 10.5686 1.00 0.00 WATR
+ATOM 1353 HT HOH 313 5.14396 7.32457 10.5686 1.00 0.00 WATR
+ATOM 1354 HT HOH 313 3.63006 7.32457 10.5686 1.00 0.00 WATR
+ATOM 1355 OT HOH 314 4.38701 4.27548 13.0318 1.00 0.00 WATR
+ATOM 1356 HT HOH 314 5.14396 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1357 HT HOH 314 3.63006 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1358 OT HOH 315 1.92380 6.73869 13.0318 1.00 0.00 WATR
+ATOM 1359 HT HOH 315 2.68075 7.32457 13.0318 1.00 0.00 WATR
+ATOM 1360 HT HOH 315 1.16685 7.32457 13.0318 1.00 0.00 WATR
+ATOM 1361 OT HOH 316 1.92380 4.27548 15.4951 1.00 0.00 WATR
+ATOM 1362 HT HOH 316 2.68075 4.86136 15.4951 1.00 0.00 WATR
+ATOM 1363 HT HOH 316 1.16685 4.86136 15.4951 1.00 0.00 WATR
+ATOM 1364 OT HOH 317 4.38701 6.73869 15.4951 1.00 0.00 WATR
+ATOM 1365 HT HOH 317 5.14396 7.32457 15.4951 1.00 0.00 WATR
+ATOM 1366 HT HOH 317 3.63006 7.32457 15.4951 1.00 0.00 WATR
+ATOM 1367 OT HOH 318 4.38701 4.27548 17.9583 1.00 0.00 WATR
+ATOM 1368 HT HOH 318 5.14396 4.86136 17.9583 1.00 0.00 WATR
+ATOM 1369 HT HOH 318 3.63006 4.86136 17.9583 1.00 0.00 WATR
+ATOM 1370 OT HOH 319 4.38701 6.73869 20.4215 1.00 0.00 WATR
+ATOM 1371 HT HOH 319 5.14396 7.32457 20.4215 1.00 0.00 WATR
+ATOM 1372 HT HOH 319 3.63006 7.32457 20.4215 1.00 0.00 WATR
+ATOM 1373 OT HOH 320 4.38701 4.27548 22.8847 1.00 0.00 WATR
+ATOM 1374 HT HOH 320 5.14396 4.86136 22.8847 1.00 0.00 WATR
+ATOM 1375 HT HOH 320 3.63006 4.86136 22.8847 1.00 0.00 WATR
+ATOM 1376 OT HOH 321 1.92380 4.27548 25.3479 1.00 0.00 WATR
+ATOM 1377 HT HOH 321 2.68075 4.86136 25.3479 1.00 0.00 WATR
+ATOM 1378 HT HOH 321 1.16685 4.86136 25.3479 1.00 0.00 WATR
+ATOM 1379 OT HOH 322 4.38701 6.73869 25.3479 1.00 0.00 WATR
+ATOM 1380 HT HOH 322 5.14396 7.32457 25.3479 1.00 0.00 WATR
+ATOM 1381 HT HOH 322 3.63006 7.32457 25.3479 1.00 0.00 WATR
+ATOM 1382 OT HOH 323 4.38701 4.27548 27.8111 1.00 0.00 WATR
+ATOM 1383 HT HOH 323 5.14396 4.86136 27.8111 1.00 0.00 WATR
+ATOM 1384 HT HOH 323 3.63006 4.86136 27.8111 1.00 0.00 WATR
+ATOM 1385 OT HOH 324 1.92380 6.73869 27.8111 1.00 0.00 WATR
+ATOM 1386 HT HOH 324 2.68075 7.32457 27.8111 1.00 0.00 WATR
+ATOM 1387 HT HOH 324 1.16685 7.32457 27.8111 1.00 0.00 WATR
+ATOM 1388 OT HOH 325 1.92380 4.27548 30.2743 1.00 0.00 WATR
+ATOM 1389 HT HOH 325 2.68075 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1390 HT HOH 325 1.16685 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1391 OT HOH 326 4.38701 6.73869 30.2743 1.00 0.00 WATR
+ATOM 1392 HT HOH 326 5.14396 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1393 HT HOH 326 3.63006 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1394 OT HOH 327 4.38701 4.27548 32.7375 1.00 0.00 WATR
+ATOM 1395 HT HOH 327 5.14396 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1396 HT HOH 327 3.63006 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1397 OT HOH 328 1.92380 6.73869 32.7375 1.00 0.00 WATR
+ATOM 1398 HT HOH 328 2.68075 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1399 HT HOH 328 1.16685 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1400 OT HOH 329 1.92380 9.20189 -4.2105 1.00 0.00 WATR
+ATOM 1401 HT HOH 329 2.68075 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1402 HT HOH 329 1.16685 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1403 OT HOH 330 4.38701 11.6651 -4.2105 1.00 0.00 WATR
+ATOM 1404 HT HOH 330 5.14396 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 1405 HT HOH 330 3.63006 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 1406 OT HOH 331 4.38701 9.20189 13.0318 1.00 0.00 WATR
+ATOM 1407 HT HOH 331 5.14396 9.78777 13.0318 1.00 0.00 WATR
+ATOM 1408 HT HOH 331 3.63006 9.78777 13.0318 1.00 0.00 WATR
+ATOM 1409 OT HOH 332 4.38701 11.6651 15.4951 1.00 0.00 WATR
+ATOM 1410 HT HOH 332 5.14396 12.2509 15.4951 1.00 0.00 WATR
+ATOM 1411 HT HOH 332 3.63006 12.2509 15.4951 1.00 0.00 WATR
+ATOM 1412 OT HOH 333 4.38701 9.20189 17.9583 1.00 0.00 WATR
+ATOM 1413 HT HOH 333 5.14396 9.78777 17.9583 1.00 0.00 WATR
+ATOM 1414 HT HOH 333 3.63006 9.78777 17.9583 1.00 0.00 WATR
+ATOM 1415 OT HOH 334 1.92380 11.6651 17.9583 1.00 0.00 WATR
+ATOM 1416 HT HOH 334 2.68075 12.2509 17.9583 1.00 0.00 WATR
+ATOM 1417 HT HOH 334 1.16685 12.2509 17.9583 1.00 0.00 WATR
+ATOM 1418 OT HOH 335 4.38701 11.6651 20.4215 1.00 0.00 WATR
+ATOM 1419 HT HOH 335 5.14396 12.2509 20.4215 1.00 0.00 WATR
+ATOM 1420 HT HOH 335 3.63006 12.2509 20.4215 1.00 0.00 WATR
+ATOM 1421 OT HOH 336 4.38701 9.20189 22.8847 1.00 0.00 WATR
+ATOM 1422 HT HOH 336 5.14396 9.78777 22.8847 1.00 0.00 WATR
+ATOM 1423 HT HOH 336 3.63006 9.78777 22.8847 1.00 0.00 WATR
+ATOM 1424 OT HOH 337 1.92380 11.6651 22.8847 1.00 0.00 WATR
+ATOM 1425 HT HOH 337 2.68075 12.2509 22.8847 1.00 0.00 WATR
+ATOM 1426 HT HOH 337 1.16685 12.2509 22.8847 1.00 0.00 WATR
+ATOM 1427 OT HOH 338 4.38701 11.6651 25.3479 1.00 0.00 WATR
+ATOM 1428 HT HOH 338 5.14396 12.2509 25.3479 1.00 0.00 WATR
+ATOM 1429 HT HOH 338 3.63006 12.2509 25.3479 1.00 0.00 WATR
+ATOM 1430 OT HOH 339 4.38701 9.20189 27.8111 1.00 0.00 WATR
+ATOM 1431 HT HOH 339 5.14396 9.78777 27.8111 1.00 0.00 WATR
+ATOM 1432 HT HOH 339 3.63006 9.78777 27.8111 1.00 0.00 WATR
+ATOM 1433 OT HOH 340 1.92380 9.20189 30.2743 1.00 0.00 WATR
+ATOM 1434 HT HOH 340 2.68075 9.78777 30.2743 1.00 0.00 WATR
+ATOM 1435 HT HOH 340 1.16685 9.78777 30.2743 1.00 0.00 WATR
+ATOM 1436 OT HOH 341 4.38701 11.6651 30.2743 1.00 0.00 WATR
+ATOM 1437 HT HOH 341 5.14396 12.2509 30.2743 1.00 0.00 WATR
+ATOM 1438 HT HOH 341 3.63006 12.2509 30.2743 1.00 0.00 WATR
+ATOM 1439 OT HOH 342 4.38701 9.20189 32.7375 1.00 0.00 WATR
+ATOM 1440 HT HOH 342 5.14396 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1441 HT HOH 342 3.63006 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1442 OT HOH 343 1.92380 11.6651 32.7375 1.00 0.00 WATR
+ATOM 1443 HT HOH 343 2.68075 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1444 HT HOH 343 1.16685 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1445 OT HOH 344 4.38701 16.5915 -4.2105 1.00 0.00 WATR
+ATOM 1446 HT HOH 344 5.14396 17.1773 -4.2105 1.00 0.00 WATR
+ATOM 1447 HT HOH 344 3.63006 17.1773 -4.2105 1.00 0.00 WATR
+ATOM 1448 OT HOH 345 4.38701 14.1283 -1.7473 1.00 0.00 WATR
+ATOM 1449 HT HOH 345 5.14396 14.7141 -1.7473 1.00 0.00 WATR
+ATOM 1450 HT HOH 345 3.63006 14.7141 -1.7473 1.00 0.00 WATR
+ATOM 1451 OT HOH 346 4.38701 16.5915 0.71587 1.00 0.00 WATR
+ATOM 1452 HT HOH 346 5.14396 17.1773 0.71587 1.00 0.00 WATR
+ATOM 1453 HT HOH 346 3.63006 17.1773 0.71587 1.00 0.00 WATR
+ATOM 1454 OT HOH 347 1.92380 16.5915 3.17907 1.00 0.00 WATR
+ATOM 1455 HT HOH 347 2.68075 17.1773 3.17907 1.00 0.00 WATR
+ATOM 1456 HT HOH 347 1.16685 17.1773 3.17907 1.00 0.00 WATR
+ATOM 1457 OT HOH 348 4.38701 16.5915 15.4951 1.00 0.00 WATR
+ATOM 1458 HT HOH 348 5.14396 17.1773 15.4951 1.00 0.00 WATR
+ATOM 1459 HT HOH 348 3.63006 17.1773 15.4951 1.00 0.00 WATR
+ATOM 1460 OT HOH 349 4.38701 14.1283 17.9583 1.00 0.00 WATR
+ATOM 1461 HT HOH 349 5.14396 14.7141 17.9583 1.00 0.00 WATR
+ATOM 1462 HT HOH 349 3.63006 14.7141 17.9583 1.00 0.00 WATR
+ATOM 1463 OT HOH 350 1.92380 16.5915 17.9583 1.00 0.00 WATR
+ATOM 1464 HT HOH 350 2.68075 17.1773 17.9583 1.00 0.00 WATR
+ATOM 1465 HT HOH 350 1.16685 17.1773 17.9583 1.00 0.00 WATR
+ATOM 1466 OT HOH 351 1.92380 14.1283 20.4215 1.00 0.00 WATR
+ATOM 1467 HT HOH 351 2.68075 14.7141 20.4215 1.00 0.00 WATR
+ATOM 1468 HT HOH 351 1.16685 14.7141 20.4215 1.00 0.00 WATR
+ATOM 1469 SOD ION 352 4.38701 16.5915 20.4215 1.00 0.00 SALT
+ATOM 1470 OT HOH 353 4.38701 14.1283 22.8847 1.00 0.00 WATR
+ATOM 1471 HT HOH 353 5.14396 14.7141 22.8847 1.00 0.00 WATR
+ATOM 1472 HT HOH 353 3.63006 14.7141 22.8847 1.00 0.00 WATR
+ATOM 1473 OT HOH 354 1.92380 16.5915 22.8847 1.00 0.00 WATR
+ATOM 1474 HT HOH 354 2.68075 17.1773 22.8847 1.00 0.00 WATR
+ATOM 1475 HT HOH 354 1.16685 17.1773 22.8847 1.00 0.00 WATR
+ATOM 1476 OT HOH 355 4.38701 16.5915 25.3479 1.00 0.00 WATR
+ATOM 1477 HT HOH 355 5.14396 17.1773 25.3479 1.00 0.00 WATR
+ATOM 1478 HT HOH 355 3.63006 17.1773 25.3479 1.00 0.00 WATR
+ATOM 1479 OT HOH 356 4.38701 14.1283 27.8111 1.00 0.00 WATR
+ATOM 1480 HT HOH 356 5.14396 14.7141 27.8111 1.00 0.00 WATR
+ATOM 1481 HT HOH 356 3.63006 14.7141 27.8111 1.00 0.00 WATR
+ATOM 1482 OT HOH 357 1.92380 16.5915 27.8111 1.00 0.00 WATR
+ATOM 1483 HT HOH 357 2.68075 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1484 HT HOH 357 1.16685 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1485 OT HOH 358 1.92380 14.1283 30.2743 1.00 0.00 WATR
+ATOM 1486 HT HOH 358 2.68075 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1487 HT HOH 358 1.16685 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1488 OT HOH 359 4.38701 16.5915 30.2743 1.00 0.00 WATR
+ATOM 1489 HT HOH 359 5.14396 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1490 HT HOH 359 3.63006 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1491 OT HOH 360 4.38701 14.1283 32.7375 1.00 0.00 WATR
+ATOM 1492 HT HOH 360 5.14396 14.7141 32.7375 1.00 0.00 WATR
+ATOM 1493 HT HOH 360 3.63006 14.7141 32.7375 1.00 0.00 WATR
+ATOM 1494 OT HOH 361 1.92380 16.5915 32.7375 1.00 0.00 WATR
+ATOM 1495 HT HOH 361 2.68075 17.1773 32.7375 1.00 0.00 WATR
+ATOM 1496 HT HOH 361 1.16685 17.1773 32.7375 1.00 0.00 WATR
+ATOM 1497 OT HOH 362 4.38701 21.5179 -4.2105 1.00 0.00 WATR
+ATOM 1498 HT HOH 362 5.14396 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1499 HT HOH 362 3.63006 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1500 OT HOH 363 4.38701 19.0547 -1.7473 1.00 0.00 WATR
+ATOM 1501 HT HOH 363 5.14396 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 1502 HT HOH 363 3.63006 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 1503 OT HOH 364 1.92380 21.5179 -1.7473 1.00 0.00 WATR
+ATOM 1504 HT HOH 364 2.68075 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1505 HT HOH 364 1.16685 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1506 OT HOH 365 1.92380 19.0547 0.71587 1.00 0.00 WATR
+ATOM 1507 HT HOH 365 2.68075 19.6406 0.71587 1.00 0.00 WATR
+ATOM 1508 HT HOH 365 1.16685 19.6406 0.71587 1.00 0.00 WATR
+ATOM 1509 OT HOH 366 4.38701 21.5179 0.71587 1.00 0.00 WATR
+ATOM 1510 HT HOH 366 5.14396 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1511 HT HOH 366 3.63006 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1512 OT HOH 367 4.38701 19.0547 3.17907 1.00 0.00 WATR
+ATOM 1513 HT HOH 367 5.14396 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1514 HT HOH 367 3.63006 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1515 OT HOH 368 1.92380 21.5179 3.17907 1.00 0.00 WATR
+ATOM 1516 HT HOH 368 2.68075 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1517 HT HOH 368 1.16685 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1518 OT HOH 369 4.38701 21.5179 5.64228 1.00 0.00 WATR
+ATOM 1519 HT HOH 369 5.14396 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1520 HT HOH 369 3.63006 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1521 OT HOH 370 4.38701 21.5179 10.5686 1.00 0.00 WATR
+ATOM 1522 HT HOH 370 5.14396 22.1038 10.5686 1.00 0.00 WATR
+ATOM 1523 HT HOH 370 3.63006 22.1038 10.5686 1.00 0.00 WATR
+ATOM 1524 OT HOH 371 4.38701 19.0547 13.0318 1.00 0.00 WATR
+ATOM 1525 HT HOH 371 5.14396 19.6406 13.0318 1.00 0.00 WATR
+ATOM 1526 HT HOH 371 3.63006 19.6406 13.0318 1.00 0.00 WATR
+ATOM 1527 OT HOH 372 1.92380 19.0547 15.4951 1.00 0.00 WATR
+ATOM 1528 HT HOH 372 2.68075 19.6406 15.4951 1.00 0.00 WATR
+ATOM 1529 HT HOH 372 1.16685 19.6406 15.4951 1.00 0.00 WATR
+ATOM 1530 OT HOH 373 4.38701 21.5179 15.4951 1.00 0.00 WATR
+ATOM 1531 HT HOH 373 5.14396 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1532 HT HOH 373 3.63006 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1533 OT HOH 374 4.38701 19.0547 17.9583 1.00 0.00 WATR
+ATOM 1534 HT HOH 374 5.14396 19.6406 17.9583 1.00 0.00 WATR
+ATOM 1535 HT HOH 374 3.63006 19.6406 17.9583 1.00 0.00 WATR
+ATOM 1536 OT HOH 375 1.92380 21.5179 17.9583 1.00 0.00 WATR
+ATOM 1537 HT HOH 375 2.68075 22.1038 17.9583 1.00 0.00 WATR
+ATOM 1538 HT HOH 375 1.16685 22.1038 17.9583 1.00 0.00 WATR
+ATOM 1539 OT HOH 376 1.92380 19.0547 20.4215 1.00 0.00 WATR
+ATOM 1540 HT HOH 376 2.68075 19.6406 20.4215 1.00 0.00 WATR
+ATOM 1541 HT HOH 376 1.16685 19.6406 20.4215 1.00 0.00 WATR
+ATOM 1542 OT HOH 377 4.38701 21.5179 20.4215 1.00 0.00 WATR
+ATOM 1543 HT HOH 377 5.14396 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1544 HT HOH 377 3.63006 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1545 OT HOH 378 4.38701 19.0547 22.8847 1.00 0.00 WATR
+ATOM 1546 HT HOH 378 5.14396 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1547 HT HOH 378 3.63006 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1548 OT HOH 379 1.92380 21.5179 22.8847 1.00 0.00 WATR
+ATOM 1549 HT HOH 379 2.68075 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1550 HT HOH 379 1.16685 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1551 OT HOH 380 1.92380 19.0547 25.3479 1.00 0.00 WATR
+ATOM 1552 HT HOH 380 2.68075 19.6406 25.3479 1.00 0.00 WATR
+ATOM 1553 HT HOH 380 1.16685 19.6406 25.3479 1.00 0.00 WATR
+ATOM 1554 OT HOH 381 4.38701 21.5179 25.3479 1.00 0.00 WATR
+ATOM 1555 HT HOH 381 5.14396 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1556 HT HOH 381 3.63006 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1557 OT HOH 382 4.38701 19.0547 27.8111 1.00 0.00 WATR
+ATOM 1558 HT HOH 382 5.14396 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1559 HT HOH 382 3.63006 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1560 OT HOH 383 1.92380 21.5179 27.8111 1.00 0.00 WATR
+ATOM 1561 HT HOH 383 2.68075 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1562 HT HOH 383 1.16685 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1563 OT HOH 384 1.92380 19.0547 30.2743 1.00 0.00 WATR
+ATOM 1564 HT HOH 384 2.68075 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1565 HT HOH 384 1.16685 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1566 OT HOH 385 4.38701 21.5179 30.2743 1.00 0.00 WATR
+ATOM 1567 HT HOH 385 5.14396 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1568 HT HOH 385 3.63006 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1569 OT HOH 386 4.38701 19.0547 32.7375 1.00 0.00 WATR
+ATOM 1570 HT HOH 386 5.14396 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1571 HT HOH 386 3.63006 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1572 OT HOH 387 1.92380 21.5179 32.7375 1.00 0.00 WATR
+ATOM 1573 HT HOH 387 2.68075 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1574 HT HOH 387 1.16685 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1575 OT HOH 388 6.85021 -0.6509 -4.2105 1.00 0.00 WATR
+ATOM 1576 HT HOH 388 7.60716 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 1577 HT HOH 388 6.09326 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 1578 OT HOH 389 9.31342 1.81228 -4.2105 1.00 0.00 WATR
+ATOM 1579 HT HOH 389 10.0703 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 1580 HT HOH 389 8.55647 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 1581 OT HOH 390 9.31342 -0.6509 -1.7473 1.00 0.00 WATR
+ATOM 1582 HT HOH 390 10.0703 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 1583 HT HOH 390 8.55647 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 1584 OT HOH 391 9.31342 1.81228 0.71587 1.00 0.00 WATR
+ATOM 1585 HT HOH 391 10.0703 2.39816 0.71587 1.00 0.00 WATR
+ATOM 1586 HT HOH 391 8.55647 2.39816 0.71587 1.00 0.00 WATR
+ATOM 1587 OT HOH 392 9.31342 -0.6509 3.17907 1.00 0.00 WATR
+ATOM 1588 HT HOH 392 10.0703 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 1589 HT HOH 392 8.55647 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 1590 OT HOH 393 6.85021 -0.6509 5.64228 1.00 0.00 WATR
+ATOM 1591 HT HOH 393 7.60716 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1592 HT HOH 393 6.09326 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1593 OT HOH 394 9.31342 1.81228 5.64228 1.00 0.00 WATR
+ATOM 1594 HT HOH 394 10.0703 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1595 HT HOH 394 8.55647 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1596 OT HOH 395 9.31342 -0.6509 8.10548 1.00 0.00 WATR
+ATOM 1597 HT HOH 395 10.0703 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1598 HT HOH 395 8.55647 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1599 OT HOH 396 6.85021 1.81228 8.10548 1.00 0.00 WATR
+ATOM 1600 HT HOH 396 7.60716 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1601 HT HOH 396 6.09326 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1602 OT HOH 397 6.85021 -0.6509 10.5686 1.00 0.00 WATR
+ATOM 1603 HT HOH 397 7.60716 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1604 HT HOH 397 6.09326 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1605 OT HOH 398 9.31342 1.81228 10.5686 1.00 0.00 WATR
+ATOM 1606 HT HOH 398 10.0703 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1607 HT HOH 398 8.55647 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1608 OT HOH 399 9.31342 -0.6509 13.0318 1.00 0.00 WATR
+ATOM 1609 HT HOH 399 10.0703 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1610 HT HOH 399 8.55647 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1611 OT HOH 400 6.85021 1.81228 13.0318 1.00 0.00 WATR
+ATOM 1612 HT HOH 400 7.60716 2.39816 13.0318 1.00 0.00 WATR
+ATOM 1613 HT HOH 400 6.09326 2.39816 13.0318 1.00 0.00 WATR
+ATOM 1614 OT HOH 401 6.85021 -0.6509 15.4951 1.00 0.00 WATR
+ATOM 1615 HT HOH 401 7.60716 -0.0650 15.4951 1.00 0.00 WATR
+ATOM 1616 HT HOH 401 6.09326 -0.0650 15.4951 1.00 0.00 WATR
+ATOM 1617 OT HOH 402 9.31342 1.81228 15.4951 1.00 0.00 WATR
+ATOM 1618 HT HOH 402 10.0703 2.39816 15.4951 1.00 0.00 WATR
+ATOM 1619 HT HOH 402 8.55647 2.39816 15.4951 1.00 0.00 WATR
+ATOM 1620 OT HOH 403 9.31342 -0.6509 17.9583 1.00 0.00 WATR
+ATOM 1621 HT HOH 403 10.0703 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1622 HT HOH 403 8.55647 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1623 OT HOH 404 6.85021 1.81228 17.9583 1.00 0.00 WATR
+ATOM 1624 HT HOH 404 7.60716 2.39816 17.9583 1.00 0.00 WATR
+ATOM 1625 HT HOH 404 6.09326 2.39816 17.9583 1.00 0.00 WATR
+ATOM 1626 OT HOH 405 6.85021 -0.6509 20.4215 1.00 0.00 WATR
+ATOM 1627 HT HOH 405 7.60716 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1628 HT HOH 405 6.09326 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1629 OT HOH 406 9.31342 1.81228 20.4215 1.00 0.00 WATR
+ATOM 1630 HT HOH 406 10.0703 2.39816 20.4215 1.00 0.00 WATR
+ATOM 1631 HT HOH 406 8.55647 2.39816 20.4215 1.00 0.00 WATR
+ATOM 1632 OT HOH 407 9.31342 -0.6509 22.8847 1.00 0.00 WATR
+ATOM 1633 HT HOH 407 10.0703 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1634 HT HOH 407 8.55647 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1635 OT HOH 408 6.85021 1.81228 22.8847 1.00 0.00 WATR
+ATOM 1636 HT HOH 408 7.60716 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1637 HT HOH 408 6.09326 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1638 OT HOH 409 6.85021 -0.6509 25.3479 1.00 0.00 WATR
+ATOM 1639 HT HOH 409 7.60716 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1640 HT HOH 409 6.09326 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1641 OT HOH 410 9.31342 1.81228 25.3479 1.00 0.00 WATR
+ATOM 1642 HT HOH 410 10.0703 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1643 HT HOH 410 8.55647 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1644 OT HOH 411 9.31342 -0.6509 27.8111 1.00 0.00 WATR
+ATOM 1645 HT HOH 411 10.0703 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1646 HT HOH 411 8.55647 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1647 OT HOH 412 6.85021 1.81228 27.8111 1.00 0.00 WATR
+ATOM 1648 HT HOH 412 7.60716 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1649 HT HOH 412 6.09326 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1650 OT HOH 413 6.85021 -0.6509 30.2743 1.00 0.00 WATR
+ATOM 1651 HT HOH 413 7.60716 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1652 HT HOH 413 6.09326 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1653 OT HOH 414 9.31342 1.81228 30.2743 1.00 0.00 WATR
+ATOM 1654 HT HOH 414 10.0703 2.39816 30.2743 1.00 0.00 WATR
+ATOM 1655 HT HOH 414 8.55647 2.39816 30.2743 1.00 0.00 WATR
+ATOM 1656 OT HOH 415 9.31342 -0.6509 32.7375 1.00 0.00 WATR
+ATOM 1657 HT HOH 415 10.0703 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1658 HT HOH 415 8.55647 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1659 OT HOH 416 6.85021 1.81228 32.7375 1.00 0.00 WATR
+ATOM 1660 HT HOH 416 7.60716 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1661 HT HOH 416 6.09326 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1662 OT HOH 417 9.31342 6.73869 -4.2105 1.00 0.00 WATR
+ATOM 1663 HT HOH 417 10.0703 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1664 HT HOH 417 8.55647 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1665 OT HOH 418 9.31342 6.73869 5.64228 1.00 0.00 WATR
+ATOM 1666 HT HOH 418 10.0703 7.32457 5.64228 1.00 0.00 WATR
+ATOM 1667 HT HOH 418 8.55647 7.32457 5.64228 1.00 0.00 WATR
+ATOM 1668 OT HOH 419 9.31342 4.27548 8.10548 1.00 0.00 WATR
+ATOM 1669 HT HOH 419 10.0703 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1670 HT HOH 419 8.55647 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1671 OT HOH 420 6.85021 6.73869 8.10548 1.00 0.00 WATR
+ATOM 1672 HT HOH 420 7.60716 7.32457 8.10548 1.00 0.00 WATR
+ATOM 1673 HT HOH 420 6.09326 7.32457 8.10548 1.00 0.00 WATR
+ATOM 1674 OT HOH 421 6.85021 4.27548 10.5686 1.00 0.00 WATR
+ATOM 1675 HT HOH 421 7.60716 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1676 HT HOH 421 6.09326 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1677 OT HOH 422 9.31342 6.73869 10.5686 1.00 0.00 WATR
+ATOM 1678 HT HOH 422 10.0703 7.32457 10.5686 1.00 0.00 WATR
+ATOM 1679 HT HOH 422 8.55647 7.32457 10.5686 1.00 0.00 WATR
+ATOM 1680 OT HOH 423 9.31342 4.27548 13.0318 1.00 0.00 WATR
+ATOM 1681 HT HOH 423 10.0703 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1682 HT HOH 423 8.55647 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1683 OT HOH 424 6.85021 6.73869 13.0318 1.00 0.00 WATR
+ATOM 1684 HT HOH 424 7.60716 7.32457 13.0318 1.00 0.00 WATR
+ATOM 1685 HT HOH 424 6.09326 7.32457 13.0318 1.00 0.00 WATR
+ATOM 1686 OT HOH 425 6.85021 4.27548 15.4951 1.00 0.00 WATR
+ATOM 1687 HT HOH 425 7.60716 4.86136 15.4951 1.00 0.00 WATR
+ATOM 1688 HT HOH 425 6.09326 4.86136 15.4951 1.00 0.00 WATR
+ATOM 1689 OT HOH 426 9.31342 6.73869 15.4951 1.00 0.00 WATR
+ATOM 1690 HT HOH 426 10.0703 7.32457 15.4951 1.00 0.00 WATR
+ATOM 1691 HT HOH 426 8.55647 7.32457 15.4951 1.00 0.00 WATR
+ATOM 1692 OT HOH 427 9.31342 4.27548 17.9583 1.00 0.00 WATR
+ATOM 1693 HT HOH 427 10.0703 4.86136 17.9583 1.00 0.00 WATR
+ATOM 1694 HT HOH 427 8.55647 4.86136 17.9583 1.00 0.00 WATR
+ATOM 1695 OT HOH 428 6.85021 6.73869 17.9583 1.00 0.00 WATR
+ATOM 1696 HT HOH 428 7.60716 7.32457 17.9583 1.00 0.00 WATR
+ATOM 1697 HT HOH 428 6.09326 7.32457 17.9583 1.00 0.00 WATR
+ATOM 1698 OT HOH 429 6.85021 4.27548 20.4215 1.00 0.00 WATR
+ATOM 1699 HT HOH 429 7.60716 4.86136 20.4215 1.00 0.00 WATR
+ATOM 1700 HT HOH 429 6.09326 4.86136 20.4215 1.00 0.00 WATR
+ATOM 1701 OT HOH 430 9.31342 6.73869 20.4215 1.00 0.00 WATR
+ATOM 1702 HT HOH 430 10.0703 7.32457 20.4215 1.00 0.00 WATR
+ATOM 1703 HT HOH 430 8.55647 7.32457 20.4215 1.00 0.00 WATR
+ATOM 1704 OT HOH 431 9.31342 4.27548 22.8847 1.00 0.00 WATR
+ATOM 1705 HT HOH 431 10.0703 4.86136 22.8847 1.00 0.00 WATR
+ATOM 1706 HT HOH 431 8.55647 4.86136 22.8847 1.00 0.00 WATR
+ATOM 1707 OT HOH 432 6.85021 6.73869 22.8847 1.00 0.00 WATR
+ATOM 1708 HT HOH 432 7.60716 7.32457 22.8847 1.00 0.00 WATR
+ATOM 1709 HT HOH 432 6.09326 7.32457 22.8847 1.00 0.00 WATR
+ATOM 1710 OT HOH 433 6.85021 4.27548 25.3479 1.00 0.00 WATR
+ATOM 1711 HT HOH 433 7.60716 4.86136 25.3479 1.00 0.00 WATR
+ATOM 1712 HT HOH 433 6.09326 4.86136 25.3479 1.00 0.00 WATR
+ATOM 1713 OT HOH 434 9.31342 6.73869 25.3479 1.00 0.00 WATR
+ATOM 1714 HT HOH 434 10.0703 7.32457 25.3479 1.00 0.00 WATR
+ATOM 1715 HT HOH 434 8.55647 7.32457 25.3479 1.00 0.00 WATR
+ATOM 1716 OT HOH 435 9.31342 4.27548 27.8111 1.00 0.00 WATR
+ATOM 1717 HT HOH 435 10.0703 4.86136 27.8111 1.00 0.00 WATR
+ATOM 1718 HT HOH 435 8.55647 4.86136 27.8111 1.00 0.00 WATR
+ATOM 1719 OT HOH 436 6.85021 6.73869 27.8111 1.00 0.00 WATR
+ATOM 1720 HT HOH 436 7.60716 7.32457 27.8111 1.00 0.00 WATR
+ATOM 1721 HT HOH 436 6.09326 7.32457 27.8111 1.00 0.00 WATR
+ATOM 1722 SOD ION 437 6.85021 4.27548 30.2743 1.00 0.00 SALT
+ATOM 1723 OT HOH 438 9.31342 6.73869 30.2743 1.00 0.00 WATR
+ATOM 1724 HT HOH 438 10.0703 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1725 HT HOH 438 8.55647 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1726 OT HOH 439 9.31342 4.27548 32.7375 1.00 0.00 WATR
+ATOM 1727 HT HOH 439 10.0703 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1728 HT HOH 439 8.55647 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1729 OT HOH 440 6.85021 6.73869 32.7375 1.00 0.00 WATR
+ATOM 1730 HT HOH 440 7.60716 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1731 HT HOH 440 6.09326 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1732 OT HOH 441 6.85021 9.20189 -4.2105 1.00 0.00 WATR
+ATOM 1733 HT HOH 441 7.60716 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1734 HT HOH 441 6.09326 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1735 OT HOH 442 9.31342 11.6651 -4.2105 1.00 0.00 WATR
+ATOM 1736 HT HOH 442 10.0703 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 1737 HT HOH 442 8.55647 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 1738 OT HOH 443 9.31342 9.20189 -1.7473 1.00 0.00 WATR
+ATOM 1739 HT HOH 443 10.0703 9.78777 -1.7473 1.00 0.00 WATR
+ATOM 1740 HT HOH 443 8.55647 9.78777 -1.7473 1.00 0.00 WATR
+ATOM 1741 OT HOH 444 6.85021 11.6651 -1.7473 1.00 0.00 WATR
+ATOM 1742 HT HOH 444 7.60716 12.2509 -1.7473 1.00 0.00 WATR
+ATOM 1743 HT HOH 444 6.09326 12.2509 -1.7473 1.00 0.00 WATR
+ATOM 1744 OT HOH 445 9.31342 11.6651 0.71587 1.00 0.00 WATR
+ATOM 1745 HT HOH 445 10.0703 12.2509 0.71587 1.00 0.00 WATR
+ATOM 1746 HT HOH 445 8.55647 12.2509 0.71587 1.00 0.00 WATR
+ATOM 1747 OT HOH 446 6.85021 9.20189 10.5686 1.00 0.00 WATR
+ATOM 1748 HT HOH 446 7.60716 9.78777 10.5686 1.00 0.00 WATR
+ATOM 1749 HT HOH 446 6.09326 9.78777 10.5686 1.00 0.00 WATR
+ATOM 1750 OT HOH 447 9.31342 11.6651 10.5686 1.00 0.00 WATR
+ATOM 1751 HT HOH 447 10.0703 12.2509 10.5686 1.00 0.00 WATR
+ATOM 1752 HT HOH 447 8.55647 12.2509 10.5686 1.00 0.00 WATR
+ATOM 1753 OT HOH 448 9.31342 9.20189 13.0318 1.00 0.00 WATR
+ATOM 1754 HT HOH 448 10.0703 9.78777 13.0318 1.00 0.00 WATR
+ATOM 1755 HT HOH 448 8.55647 9.78777 13.0318 1.00 0.00 WATR
+ATOM 1756 OT HOH 449 6.85021 11.6651 13.0318 1.00 0.00 WATR
+ATOM 1757 HT HOH 449 7.60716 12.2509 13.0318 1.00 0.00 WATR
+ATOM 1758 HT HOH 449 6.09326 12.2509 13.0318 1.00 0.00 WATR
+ATOM 1759 OT HOH 450 6.85021 9.20189 15.4951 1.00 0.00 WATR
+ATOM 1760 HT HOH 450 7.60716 9.78777 15.4951 1.00 0.00 WATR
+ATOM 1761 HT HOH 450 6.09326 9.78777 15.4951 1.00 0.00 WATR
+ATOM 1762 OT HOH 451 9.31342 11.6651 15.4951 1.00 0.00 WATR
+ATOM 1763 HT HOH 451 10.0703 12.2509 15.4951 1.00 0.00 WATR
+ATOM 1764 HT HOH 451 8.55647 12.2509 15.4951 1.00 0.00 WATR
+ATOM 1765 OT HOH 452 9.31342 9.20189 17.9583 1.00 0.00 WATR
+ATOM 1766 HT HOH 452 10.0703 9.78777 17.9583 1.00 0.00 WATR
+ATOM 1767 HT HOH 452 8.55647 9.78777 17.9583 1.00 0.00 WATR
+ATOM 1768 OT HOH 453 6.85021 11.6651 17.9583 1.00 0.00 WATR
+ATOM 1769 HT HOH 453 7.60716 12.2509 17.9583 1.00 0.00 WATR
+ATOM 1770 HT HOH 453 6.09326 12.2509 17.9583 1.00 0.00 WATR
+ATOM 1771 OT HOH 454 6.85021 9.20189 20.4215 1.00 0.00 WATR
+ATOM 1772 HT HOH 454 7.60716 9.78777 20.4215 1.00 0.00 WATR
+ATOM 1773 HT HOH 454 6.09326 9.78777 20.4215 1.00 0.00 WATR
+ATOM 1774 OT HOH 455 9.31342 11.6651 20.4215 1.00 0.00 WATR
+ATOM 1775 HT HOH 455 10.0703 12.2509 20.4215 1.00 0.00 WATR
+ATOM 1776 HT HOH 455 8.55647 12.2509 20.4215 1.00 0.00 WATR
+ATOM 1777 OT HOH 456 9.31342 9.20189 22.8847 1.00 0.00 WATR
+ATOM 1778 HT HOH 456 10.0703 9.78777 22.8847 1.00 0.00 WATR
+ATOM 1779 HT HOH 456 8.55647 9.78777 22.8847 1.00 0.00 WATR
+ATOM 1780 OT HOH 457 6.85021 11.6651 22.8847 1.00 0.00 WATR
+ATOM 1781 HT HOH 457 7.60716 12.2509 22.8847 1.00 0.00 WATR
+ATOM 1782 HT HOH 457 6.09326 12.2509 22.8847 1.00 0.00 WATR
+ATOM 1783 SOD ION 458 6.85021 9.20189 25.3479 1.00 0.00 SALT
+ATOM 1784 OT HOH 459 9.31342 11.6651 25.3479 1.00 0.00 WATR
+ATOM 1785 HT HOH 459 10.0703 12.2509 25.3479 1.00 0.00 WATR
+ATOM 1786 HT HOH 459 8.55647 12.2509 25.3479 1.00 0.00 WATR
+ATOM 1787 OT HOH 460 9.31342 9.20189 27.8111 1.00 0.00 WATR
+ATOM 1788 HT HOH 460 10.0703 9.78777 27.8111 1.00 0.00 WATR
+ATOM 1789 HT HOH 460 8.55647 9.78777 27.8111 1.00 0.00 WATR
+ATOM 1790 OT HOH 461 6.85021 11.6651 27.8111 1.00 0.00 WATR
+ATOM 1791 HT HOH 461 7.60716 12.2509 27.8111 1.00 0.00 WATR
+ATOM 1792 HT HOH 461 6.09326 12.2509 27.8111 1.00 0.00 WATR
+ATOM 1793 OT HOH 462 6.85021 9.20189 30.2743 1.00 0.00 WATR
+ATOM 1794 HT HOH 462 7.60716 9.78777 30.2743 1.00 0.00 WATR
+ATOM 1795 HT HOH 462 6.09326 9.78777 30.2743 1.00 0.00 WATR
+ATOM 1796 OT HOH 463 9.31342 11.6651 30.2743 1.00 0.00 WATR
+ATOM 1797 HT HOH 463 10.0703 12.2509 30.2743 1.00 0.00 WATR
+ATOM 1798 HT HOH 463 8.55647 12.2509 30.2743 1.00 0.00 WATR
+ATOM 1799 OT HOH 464 9.31342 9.20189 32.7375 1.00 0.00 WATR
+ATOM 1800 HT HOH 464 10.0703 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1801 HT HOH 464 8.55647 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1802 OT HOH 465 6.85021 11.6651 32.7375 1.00 0.00 WATR
+ATOM 1803 HT HOH 465 7.60716 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1804 HT HOH 465 6.09326 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1805 OT HOH 466 6.85021 14.1283 -4.2105 1.00 0.00 WATR
+ATOM 1806 HT HOH 466 7.60716 14.7141 -4.2105 1.00 0.00 WATR
+ATOM 1807 HT HOH 466 6.09326 14.7141 -4.2105 1.00 0.00 WATR
+ATOM 1808 OT HOH 467 9.31342 16.5915 -4.2105 1.00 0.00 WATR
+ATOM 1809 HT HOH 467 10.0703 17.1773 -4.2105 1.00 0.00 WATR
+ATOM 1810 HT HOH 467 8.55647 17.1773 -4.2105 1.00 0.00 WATR
+ATOM 1811 SOD ION 468 9.31342 14.1283 -1.7473 1.00 0.00 SALT
+ATOM 1812 OT HOH 469 6.85021 16.5915 -1.7473 1.00 0.00 WATR
+ATOM 1813 HT HOH 469 7.60716 17.1773 -1.7473 1.00 0.00 WATR
+ATOM 1814 HT HOH 469 6.09326 17.1773 -1.7473 1.00 0.00 WATR
+ATOM 1815 OT HOH 470 6.85021 14.1283 0.71587 1.00 0.00 WATR
+ATOM 1816 HT HOH 470 7.60716 14.7141 0.71587 1.00 0.00 WATR
+ATOM 1817 HT HOH 470 6.09326 14.7141 0.71587 1.00 0.00 WATR
+ATOM 1818 OT HOH 471 9.31342 16.5915 0.71587 1.00 0.00 WATR
+ATOM 1819 HT HOH 471 10.0703 17.1773 0.71587 1.00 0.00 WATR
+ATOM 1820 HT HOH 471 8.55647 17.1773 0.71587 1.00 0.00 WATR
+ATOM 1821 OT HOH 472 9.31342 16.5915 5.64228 1.00 0.00 WATR
+ATOM 1822 HT HOH 472 10.0703 17.1773 5.64228 1.00 0.00 WATR
+ATOM 1823 HT HOH 472 8.55647 17.1773 5.64228 1.00 0.00 WATR
+ATOM 1824 OT HOH 473 9.31342 14.1283 8.10548 1.00 0.00 WATR
+ATOM 1825 HT HOH 473 10.0703 14.7141 8.10548 1.00 0.00 WATR
+ATOM 1826 HT HOH 473 8.55647 14.7141 8.10548 1.00 0.00 WATR
+ATOM 1827 OT HOH 474 9.31342 16.5915 10.5686 1.00 0.00 WATR
+ATOM 1828 HT HOH 474 10.0703 17.1773 10.5686 1.00 0.00 WATR
+ATOM 1829 HT HOH 474 8.55647 17.1773 10.5686 1.00 0.00 WATR
+ATOM 1830 OT HOH 475 9.31342 14.1283 13.0318 1.00 0.00 WATR
+ATOM 1831 HT HOH 475 10.0703 14.7141 13.0318 1.00 0.00 WATR
+ATOM 1832 HT HOH 475 8.55647 14.7141 13.0318 1.00 0.00 WATR
+ATOM 1833 OT HOH 476 6.85021 16.5915 13.0318 1.00 0.00 WATR
+ATOM 1834 HT HOH 476 7.60716 17.1773 13.0318 1.00 0.00 WATR
+ATOM 1835 HT HOH 476 6.09326 17.1773 13.0318 1.00 0.00 WATR
+ATOM 1836 OT HOH 477 6.85021 14.1283 15.4951 1.00 0.00 WATR
+ATOM 1837 HT HOH 477 7.60716 14.7141 15.4951 1.00 0.00 WATR
+ATOM 1838 HT HOH 477 6.09326 14.7141 15.4951 1.00 0.00 WATR
+ATOM 1839 OT HOH 478 9.31342 16.5915 15.4951 1.00 0.00 WATR
+ATOM 1840 HT HOH 478 10.0703 17.1773 15.4951 1.00 0.00 WATR
+ATOM 1841 HT HOH 478 8.55647 17.1773 15.4951 1.00 0.00 WATR
+ATOM 1842 OT HOH 479 9.31342 14.1283 17.9583 1.00 0.00 WATR
+ATOM 1843 HT HOH 479 10.0703 14.7141 17.9583 1.00 0.00 WATR
+ATOM 1844 HT HOH 479 8.55647 14.7141 17.9583 1.00 0.00 WATR
+ATOM 1845 SOD ION 480 6.85021 16.5915 17.9583 1.00 0.00 SALT
+ATOM 1846 OT HOH 481 6.85021 14.1283 20.4215 1.00 0.00 WATR
+ATOM 1847 HT HOH 481 7.60716 14.7141 20.4215 1.00 0.00 WATR
+ATOM 1848 HT HOH 481 6.09326 14.7141 20.4215 1.00 0.00 WATR
+ATOM 1849 OT HOH 482 9.31342 16.5915 20.4215 1.00 0.00 WATR
+ATOM 1850 HT HOH 482 10.0703 17.1773 20.4215 1.00 0.00 WATR
+ATOM 1851 HT HOH 482 8.55647 17.1773 20.4215 1.00 0.00 WATR
+ATOM 1852 OT HOH 483 9.31342 14.1283 22.8847 1.00 0.00 WATR
+ATOM 1853 HT HOH 483 10.0703 14.7141 22.8847 1.00 0.00 WATR
+ATOM 1854 HT HOH 483 8.55647 14.7141 22.8847 1.00 0.00 WATR
+ATOM 1855 OT HOH 484 6.85021 16.5915 22.8847 1.00 0.00 WATR
+ATOM 1856 HT HOH 484 7.60716 17.1773 22.8847 1.00 0.00 WATR
+ATOM 1857 HT HOH 484 6.09326 17.1773 22.8847 1.00 0.00 WATR
+ATOM 1858 OT HOH 485 6.85021 14.1283 25.3479 1.00 0.00 WATR
+ATOM 1859 HT HOH 485 7.60716 14.7141 25.3479 1.00 0.00 WATR
+ATOM 1860 HT HOH 485 6.09326 14.7141 25.3479 1.00 0.00 WATR
+ATOM 1861 OT HOH 486 9.31342 16.5915 25.3479 1.00 0.00 WATR
+ATOM 1862 HT HOH 486 10.0703 17.1773 25.3479 1.00 0.00 WATR
+ATOM 1863 HT HOH 486 8.55647 17.1773 25.3479 1.00 0.00 WATR
+ATOM 1864 OT HOH 487 9.31342 14.1283 27.8111 1.00 0.00 WATR
+ATOM 1865 HT HOH 487 10.0703 14.7141 27.8111 1.00 0.00 WATR
+ATOM 1866 HT HOH 487 8.55647 14.7141 27.8111 1.00 0.00 WATR
+ATOM 1867 OT HOH 488 6.85021 16.5915 27.8111 1.00 0.00 WATR
+ATOM 1868 HT HOH 488 7.60716 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1869 HT HOH 488 6.09326 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1870 OT HOH 489 6.85021 14.1283 30.2743 1.00 0.00 WATR
+ATOM 1871 HT HOH 489 7.60716 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1872 HT HOH 489 6.09326 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1873 OT HOH 490 9.31342 16.5915 30.2743 1.00 0.00 WATR
+ATOM 1874 HT HOH 490 10.0703 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1875 HT HOH 490 8.55647 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1876 OT HOH 491 9.31342 14.1283 32.7375 1.00 0.00 WATR
+ATOM 1877 HT HOH 491 10.0703 14.7141 32.7375 1.00 0.00 WATR
+ATOM 1878 HT HOH 491 8.55647 14.7141 32.7375 1.00 0.00 WATR
+ATOM 1879 OT HOH 492 6.85021 16.5915 32.7375 1.00 0.00 WATR
+ATOM 1880 HT HOH 492 7.60716 17.1773 32.7375 1.00 0.00 WATR
+ATOM 1881 HT HOH 492 6.09326 17.1773 32.7375 1.00 0.00 WATR
+ATOM 1882 OT HOH 493 6.85021 19.0547 -4.2105 1.00 0.00 WATR
+ATOM 1883 HT HOH 493 7.60716 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 1884 HT HOH 493 6.09326 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 1885 OT HOH 494 9.31342 21.5179 -4.2105 1.00 0.00 WATR
+ATOM 1886 HT HOH 494 10.0703 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1887 HT HOH 494 8.55647 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1888 OT HOH 495 9.31342 19.0547 -1.7473 1.00 0.00 WATR
+ATOM 1889 HT HOH 495 10.0703 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 1890 HT HOH 495 8.55647 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 1891 OT HOH 496 6.85021 21.5179 -1.7473 1.00 0.00 WATR
+ATOM 1892 HT HOH 496 7.60716 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1893 HT HOH 496 6.09326 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1894 OT HOH 497 6.85021 19.0547 0.71587 1.00 0.00 WATR
+ATOM 1895 HT HOH 497 7.60716 19.6406 0.71587 1.00 0.00 WATR
+ATOM 1896 HT HOH 497 6.09326 19.6406 0.71587 1.00 0.00 WATR
+ATOM 1897 OT HOH 498 9.31342 21.5179 0.71587 1.00 0.00 WATR
+ATOM 1898 HT HOH 498 10.0703 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1899 HT HOH 498 8.55647 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1900 OT HOH 499 9.31342 19.0547 3.17907 1.00 0.00 WATR
+ATOM 1901 HT HOH 499 10.0703 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1902 HT HOH 499 8.55647 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1903 OT HOH 500 6.85021 21.5179 3.17907 1.00 0.00 WATR
+ATOM 1904 HT HOH 500 7.60716 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1905 HT HOH 500 6.09326 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1906 OT HOH 501 9.31342 21.5179 5.64228 1.00 0.00 WATR
+ATOM 1907 HT HOH 501 10.0703 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1908 HT HOH 501 8.55647 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1909 OT HOH 502 9.31342 19.0547 8.10548 1.00 0.00 WATR
+ATOM 1910 HT HOH 502 10.0703 19.6406 8.10548 1.00 0.00 WATR
+ATOM 1911 HT HOH 502 8.55647 19.6406 8.10548 1.00 0.00 WATR
+ATOM 1912 OT HOH 503 6.85021 21.5179 8.10548 1.00 0.00 WATR
+ATOM 1913 HT HOH 503 7.60716 22.1038 8.10548 1.00 0.00 WATR
+ATOM 1914 HT HOH 503 6.09326 22.1038 8.10548 1.00 0.00 WATR
+ATOM 1915 SOD ION 504 6.85021 19.0547 10.5686 1.00 0.00 SALT
+ATOM 1916 OT HOH 505 9.31342 21.5179 10.5686 1.00 0.00 WATR
+ATOM 1917 HT HOH 505 10.0703 22.1038 10.5686 1.00 0.00 WATR
+ATOM 1918 HT HOH 505 8.55647 22.1038 10.5686 1.00 0.00 WATR
+ATOM 1919 OT HOH 506 9.31342 19.0547 13.0318 1.00 0.00 WATR
+ATOM 1920 HT HOH 506 10.0703 19.6406 13.0318 1.00 0.00 WATR
+ATOM 1921 HT HOH 506 8.55647 19.6406 13.0318 1.00 0.00 WATR
+ATOM 1922 OT HOH 507 6.85021 21.5179 13.0318 1.00 0.00 WATR
+ATOM 1923 HT HOH 507 7.60716 22.1038 13.0318 1.00 0.00 WATR
+ATOM 1924 HT HOH 507 6.09326 22.1038 13.0318 1.00 0.00 WATR
+ATOM 1925 OT HOH 508 6.85021 19.0547 15.4951 1.00 0.00 WATR
+ATOM 1926 HT HOH 508 7.60716 19.6406 15.4951 1.00 0.00 WATR
+ATOM 1927 HT HOH 508 6.09326 19.6406 15.4951 1.00 0.00 WATR
+ATOM 1928 OT HOH 509 9.31342 21.5179 15.4951 1.00 0.00 WATR
+ATOM 1929 HT HOH 509 10.0703 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1930 HT HOH 509 8.55647 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1931 OT HOH 510 9.31342 19.0547 17.9583 1.00 0.00 WATR
+ATOM 1932 HT HOH 510 10.0703 19.6406 17.9583 1.00 0.00 WATR
+ATOM 1933 HT HOH 510 8.55647 19.6406 17.9583 1.00 0.00 WATR
+ATOM 1934 SOD ION 511 6.85021 21.5179 17.9583 1.00 0.00 SALT
+ATOM 1935 OT HOH 512 6.85021 19.0547 20.4215 1.00 0.00 WATR
+ATOM 1936 HT HOH 512 7.60716 19.6406 20.4215 1.00 0.00 WATR
+ATOM 1937 HT HOH 512 6.09326 19.6406 20.4215 1.00 0.00 WATR
+ATOM 1938 OT HOH 513 9.31342 21.5179 20.4215 1.00 0.00 WATR
+ATOM 1939 HT HOH 513 10.0703 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1940 HT HOH 513 8.55647 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1941 OT HOH 514 9.31342 19.0547 22.8847 1.00 0.00 WATR
+ATOM 1942 HT HOH 514 10.0703 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1943 HT HOH 514 8.55647 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1944 OT HOH 515 6.85021 21.5179 22.8847 1.00 0.00 WATR
+ATOM 1945 HT HOH 515 7.60716 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1946 HT HOH 515 6.09326 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1947 OT HOH 516 6.85021 19.0547 25.3479 1.00 0.00 WATR
+ATOM 1948 HT HOH 516 7.60716 19.6406 25.3479 1.00 0.00 WATR
+ATOM 1949 HT HOH 516 6.09326 19.6406 25.3479 1.00 0.00 WATR
+ATOM 1950 OT HOH 517 9.31342 21.5179 25.3479 1.00 0.00 WATR
+ATOM 1951 HT HOH 517 10.0703 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1952 HT HOH 517 8.55647 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1953 OT HOH 518 9.31342 19.0547 27.8111 1.00 0.00 WATR
+ATOM 1954 HT HOH 518 10.0703 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1955 HT HOH 518 8.55647 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1956 OT HOH 519 6.85021 21.5179 27.8111 1.00 0.00 WATR
+ATOM 1957 HT HOH 519 7.60716 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1958 HT HOH 519 6.09326 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1959 OT HOH 520 6.85021 19.0547 30.2743 1.00 0.00 WATR
+ATOM 1960 HT HOH 520 7.60716 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1961 HT HOH 520 6.09326 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1962 OT HOH 521 9.31342 21.5179 30.2743 1.00 0.00 WATR
+ATOM 1963 HT HOH 521 10.0703 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1964 HT HOH 521 8.55647 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1965 SOD ION 522 9.31342 19.0547 32.7375 1.00 0.00 SALT
+ATOM 1966 OT HOH 523 6.85021 21.5179 32.7375 1.00 0.00 WATR
+ATOM 1967 HT HOH 523 7.60716 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1968 HT HOH 523 6.09326 22.1038 32.7375 1.00 0.00 WATR
+END
diff --git a/tools/ch2lmp/example/1ac7_ctrl.psf b/tools/ch2lmp/example/1ac7_ctrl.psf
new file mode 100644
index 0000000000..6eb4534341
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7_ctrl.psf
@@ -0,0 +1,3630 @@
+PSF
+
+ 2 !NTITLE
+ REMARKS CONTROL PSF 1ac7_ctrl.psf
+ REMARKS CREATED BY charmm2lammps v1.6.2 ON Fri Jun 3 14:07:00 MDT 2005
+
+ 1968 !NATOM
+ 1 A 1 ADE P 82 1.50000000e+00 30.9740 0
+ 2 A 1 ADE O1P 74 -7.80000000e-01 15.9994 0
+ 3 A 1 ADE O2P 74 -7.80000000e-01 15.9994 0
+ 4 A 1 ADE O5' 73 -5.70000000e-01 15.9994 0
+ 5 A 1 ADE C5' 38 -8.00000000e-02 12.0110 0
+ 6 A 1 ADE H5' 12 9.00000000e-02 1.0080 0
+ 7 A 1 ADE H5'' 12 9.00000000e-02 1.0080 0
+ 8 A 1 ADE C4' 33 1.60000000e-01 12.0110 0
+ 9 A 1 ADE H4' 11 9.00000000e-02 1.0080 0
+ 10 A 1 ADE O4' 78 -5.00000000e-01 15.9994 0
+ 11 A 1 ADE C1' 34 1.60000000e-01 12.0110 0
+ 12 A 1 ADE H1' 11 9.00000000e-02 1.0080 0
+ 13 A 1 ADE N9 52 -5.00000000e-02 14.0070 0
+ 14 A 1 ADE C5 31 2.80000000e-01 12.0110 0
+ 15 A 1 ADE N7 61 -7.10000000e-01 14.0070 0
+ 16 A 1 ADE C8 30 3.40000000e-01 12.0110 0
+ 17 A 1 ADE H8 4 1.20000000e-01 1.0080 0
+ 18 A 1 ADE N1 58 -7.40000000e-01 14.0070 0
+ 19 A 1 ADE C2 30 5.00000000e-01 12.0110 0
+ 20 A 1 ADE H2 4 1.30000000e-01 1.0080 0
+ 21 A 1 ADE N3 58 -7.50000000e-01 14.0070 0
+ 22 A 1 ADE C4 31 4.30000000e-01 12.0110 0
+ 23 A 1 ADE C6 23 4.60000000e-01 12.0110 0
+ 24 A 1 ADE N6 50 -7.70000000e-01 14.0070 0
+ 25 A 1 ADE H61 2 3.80000000e-01 1.0080 0
+ 26 A 1 ADE H62 2 3.80000000e-01 1.0080 0
+ 27 A 1 ADE C2' 34 1.40000000e-01 12.0110 0
+ 28 A 1 ADE H2'' 11 9.00000000e-02 1.0080 0
+ 29 A 1 ADE O2' 76 -6.60000000e-01 15.9994 0
+ 30 A 1 ADE H2' 9 4.30000000e-01 1.0080 0
+ 31 A 1 ADE C3' 33 1.00000000e-02 12.0110 0
+ 32 A 1 ADE H3' 11 9.00000000e-02 1.0080 0
+ 33 A 1 ADE O3' 73 -5.70000000e-01 15.9994 0
+ 34 A 2 THY P 82 1.50000000e+00 30.9740 0
+ 35 A 2 THY O1P 74 -7.80000000e-01 15.9994 0
+ 36 A 2 THY O2P 74 -7.80000000e-01 15.9994 0
+ 37 A 2 THY O5' 73 -5.70000000e-01 15.9994 0
+ 38 A 2 THY C5' 38 -8.00000000e-02 12.0110 0
+ 39 A 2 THY H5' 12 9.00000000e-02 1.0080 0
+ 40 A 2 THY H5'' 12 9.00000000e-02 1.0080 0
+ 41 A 2 THY C4' 33 1.60000000e-01 12.0110 0
+ 42 A 2 THY H4' 11 9.00000000e-02 1.0080 0
+ 43 A 2 THY O4' 78 -5.00000000e-01 15.9994 0
+ 44 A 2 THY C1' 34 1.60000000e-01 12.0110 0
+ 45 A 2 THY H1' 11 9.00000000e-02 1.0080 0
+ 46 A 2 THY N1 53 -3.40000000e-01 14.0070 0
+ 47 A 2 THY C6 24 1.70000000e-01 12.0110 0
+ 48 A 2 THY H6 4 1.70000000e-01 1.0080 0
+ 49 A 2 THY C2 22 5.10000000e-01 12.0110 0
+ 50 A 2 THY O2 71 -4.10000000e-01 15.9994 0
+ 51 A 2 THY N3 55 -4.60000000e-01 14.0070 0
+ 52 A 2 THY H3 3 3.60000000e-01 1.0080 0
+ 53 A 2 THY C4 20 5.00000000e-01 12.0110 0
+ 54 A 2 THY O4 71 -4.50000000e-01 15.9994 0
+ 55 A 2 THY C5 29 -1.50000000e-01 12.0110 0
+ 56 A 2 THY C5M 39 -1.10000000e-01 12.0110 0
+ 57 A 2 THY H51 13 7.00000000e-02 1.0080 0
+ 58 A 2 THY H52 13 7.00000000e-02 1.0080 0
+ 59 A 2 THY H53 13 7.00000000e-02 1.0080 0
+ 60 A 2 THY C2' 34 1.40000000e-01 12.0110 0
+ 61 A 2 THY H2'' 11 9.00000000e-02 1.0080 0
+ 62 A 2 THY O2' 76 -6.60000000e-01 15.9994 0
+ 63 A 2 THY H2' 9 4.30000000e-01 1.0080 0
+ 64 A 2 THY C3' 33 1.00000000e-02 12.0110 0
+ 65 A 2 THY H3' 11 9.00000000e-02 1.0080 0
+ 66 A 2 THY O3' 73 -5.70000000e-01 15.9994 0
+ 67 A 3 CYT P 82 1.50000000e+00 30.9740 0
+ 68 A 3 CYT O1P 74 -7.80000000e-01 15.9994 0
+ 69 A 3 CYT O2P 74 -7.80000000e-01 15.9994 0
+ 70 A 3 CYT O5' 73 -5.70000000e-01 15.9994 0
+ 71 A 3 CYT C5' 38 -8.00000000e-02 12.0110 0
+ 72 A 3 CYT H5' 12 9.00000000e-02 1.0080 0
+ 73 A 3 CYT H5'' 12 9.00000000e-02 1.0080 0
+ 74 A 3 CYT C4' 33 1.60000000e-01 12.0110 0
+ 75 A 3 CYT H4' 11 9.00000000e-02 1.0080 0
+ 76 A 3 CYT O4' 78 -5.00000000e-01 15.9994 0
+ 77 A 3 CYT C1' 34 1.60000000e-01 12.0110 0
+ 78 A 3 CYT H1' 11 9.00000000e-02 1.0080 0
+ 79 A 3 CYT N1 52 -1.30000000e-01 14.0070 0
+ 80 A 3 CYT C6 24 5.00000000e-02 12.0110 0
+ 81 A 3 CYT H6 4 1.70000000e-01 1.0080 0
+ 82 A 3 CYT C5 24 -1.30000000e-01 12.0110 0
+ 83 A 3 CYT H5 4 7.00000000e-02 1.0080 0
+ 84 A 3 CYT C2 20 5.20000000e-01 12.0110 0
+ 85 A 3 CYT O2 72 -4.90000000e-01 15.9994 0
+ 86 A 3 CYT N3 57 -6.60000000e-01 14.0070 0
+ 87 A 3 CYT C4 23 6.50000000e-01 12.0110 0
+ 88 A 3 CYT N4 50 -7.50000000e-01 14.0070 0
+ 89 A 3 CYT H41 2 3.70000000e-01 1.0080 0
+ 90 A 3 CYT H42 2 3.30000000e-01 1.0080 0
+ 91 A 3 CYT C2' 34 1.40000000e-01 12.0110 0
+ 92 A 3 CYT H2'' 11 9.00000000e-02 1.0080 0
+ 93 A 3 CYT O2' 76 -6.60000000e-01 15.9994 0
+ 94 A 3 CYT H2' 9 4.30000000e-01 1.0080 0
+ 95 A 3 CYT C3' 33 1.00000000e-02 12.0110 0
+ 96 A 3 CYT H3' 11 9.00000000e-02 1.0080 0
+ 97 A 3 CYT O3' 73 -5.70000000e-01 15.9994 0
+ 98 A 4 CYT P 82 1.50000000e+00 30.9740 0
+ 99 A 4 CYT O1P 74 -7.80000000e-01 15.9994 0
+ 100 A 4 CYT O2P 74 -7.80000000e-01 15.9994 0
+ 101 A 4 CYT O5' 73 -5.70000000e-01 15.9994 0
+ 102 A 4 CYT C5' 38 -8.00000000e-02 12.0110 0
+ 103 A 4 CYT H5' 12 9.00000000e-02 1.0080 0
+ 104 A 4 CYT H5'' 12 9.00000000e-02 1.0080 0
+ 105 A 4 CYT C4' 33 1.60000000e-01 12.0110 0
+ 106 A 4 CYT H4' 11 9.00000000e-02 1.0080 0
+ 107 A 4 CYT O4' 78 -5.00000000e-01 15.9994 0
+ 108 A 4 CYT C1' 34 1.60000000e-01 12.0110 0
+ 109 A 4 CYT H1' 11 9.00000000e-02 1.0080 0
+ 110 A 4 CYT N1 52 -1.30000000e-01 14.0070 0
+ 111 A 4 CYT C6 24 5.00000000e-02 12.0110 0
+ 112 A 4 CYT H6 4 1.70000000e-01 1.0080 0
+ 113 A 4 CYT C5 24 -1.30000000e-01 12.0110 0
+ 114 A 4 CYT H5 4 7.00000000e-02 1.0080 0
+ 115 A 4 CYT C2 20 5.20000000e-01 12.0110 0
+ 116 A 4 CYT O2 72 -4.90000000e-01 15.9994 0
+ 117 A 4 CYT N3 57 -6.60000000e-01 14.0070 0
+ 118 A 4 CYT C4 23 6.50000000e-01 12.0110 0
+ 119 A 4 CYT N4 50 -7.50000000e-01 14.0070 0
+ 120 A 4 CYT H41 2 3.70000000e-01 1.0080 0
+ 121 A 4 CYT H42 2 3.30000000e-01 1.0080 0
+ 122 A 4 CYT C2' 34 1.40000000e-01 12.0110 0
+ 123 A 4 CYT H2'' 11 9.00000000e-02 1.0080 0
+ 124 A 4 CYT O2' 76 -6.60000000e-01 15.9994 0
+ 125 A 4 CYT H2' 9 4.30000000e-01 1.0080 0
+ 126 A 4 CYT C3' 33 1.00000000e-02 12.0110 0
+ 127 A 4 CYT H3' 11 9.00000000e-02 1.0080 0
+ 128 A 4 CYT O3' 73 -5.70000000e-01 15.9994 0
+ 129 A 5 THY P 82 1.50000000e+00 30.9740 0
+ 130 A 5 THY O1P 74 -7.80000000e-01 15.9994 0
+ 131 A 5 THY O2P 74 -7.80000000e-01 15.9994 0
+ 132 A 5 THY O5' 73 -5.70000000e-01 15.9994 0
+ 133 A 5 THY C5' 38 -8.00000000e-02 12.0110 0
+ 134 A 5 THY H5' 12 9.00000000e-02 1.0080 0
+ 135 A 5 THY H5'' 12 9.00000000e-02 1.0080 0
+ 136 A 5 THY C4' 33 1.60000000e-01 12.0110 0
+ 137 A 5 THY H4' 11 9.00000000e-02 1.0080 0
+ 138 A 5 THY O4' 78 -5.00000000e-01 15.9994 0
+ 139 A 5 THY C1' 34 1.60000000e-01 12.0110 0
+ 140 A 5 THY H1' 11 9.00000000e-02 1.0080 0
+ 141 A 5 THY N1 53 -3.40000000e-01 14.0070 0
+ 142 A 5 THY C6 24 1.70000000e-01 12.0110 0
+ 143 A 5 THY H6 4 1.70000000e-01 1.0080 0
+ 144 A 5 THY C2 22 5.10000000e-01 12.0110 0
+ 145 A 5 THY O2 71 -4.10000000e-01 15.9994 0
+ 146 A 5 THY N3 55 -4.60000000e-01 14.0070 0
+ 147 A 5 THY H3 3 3.60000000e-01 1.0080 0
+ 148 A 5 THY C4 20 5.00000000e-01 12.0110 0
+ 149 A 5 THY O4 71 -4.50000000e-01 15.9994 0
+ 150 A 5 THY C5 29 -1.50000000e-01 12.0110 0
+ 151 A 5 THY C5M 39 -1.10000000e-01 12.0110 0
+ 152 A 5 THY H51 13 7.00000000e-02 1.0080 0
+ 153 A 5 THY H52 13 7.00000000e-02 1.0080 0
+ 154 A 5 THY H53 13 7.00000000e-02 1.0080 0
+ 155 A 5 THY C2' 34 1.40000000e-01 12.0110 0
+ 156 A 5 THY H2'' 11 9.00000000e-02 1.0080 0
+ 157 A 5 THY O2' 76 -6.60000000e-01 15.9994 0
+ 158 A 5 THY H2' 9 4.30000000e-01 1.0080 0
+ 159 A 5 THY C3' 33 1.00000000e-02 12.0110 0
+ 160 A 5 THY H3' 11 9.00000000e-02 1.0080 0
+ 161 A 5 THY O3' 73 -5.70000000e-01 15.9994 0
+ 162 A 6 ADE P 82 1.50000000e+00 30.9740 0
+ 163 A 6 ADE O1P 74 -7.80000000e-01 15.9994 0
+ 164 A 6 ADE O2P 74 -7.80000000e-01 15.9994 0
+ 165 A 6 ADE O5' 73 -5.70000000e-01 15.9994 0
+ 166 A 6 ADE C5' 38 -8.00000000e-02 12.0110 0
+ 167 A 6 ADE H5' 12 9.00000000e-02 1.0080 0
+ 168 A 6 ADE H5'' 12 9.00000000e-02 1.0080 0
+ 169 A 6 ADE C4' 33 1.60000000e-01 12.0110 0
+ 170 A 6 ADE H4' 11 9.00000000e-02 1.0080 0
+ 171 A 6 ADE O4' 78 -5.00000000e-01 15.9994 0
+ 172 A 6 ADE C1' 34 1.60000000e-01 12.0110 0
+ 173 A 6 ADE H1' 11 9.00000000e-02 1.0080 0
+ 174 A 6 ADE N9 52 -5.00000000e-02 14.0070 0
+ 175 A 6 ADE C5 31 2.80000000e-01 12.0110 0
+ 176 A 6 ADE N7 61 -7.10000000e-01 14.0070 0
+ 177 A 6 ADE C8 30 3.40000000e-01 12.0110 0
+ 178 A 6 ADE H8 4 1.20000000e-01 1.0080 0
+ 179 A 6 ADE N1 58 -7.40000000e-01 14.0070 0
+ 180 A 6 ADE C2 30 5.00000000e-01 12.0110 0
+ 181 A 6 ADE H2 4 1.30000000e-01 1.0080 0
+ 182 A 6 ADE N3 58 -7.50000000e-01 14.0070 0
+ 183 A 6 ADE C4 31 4.30000000e-01 12.0110 0
+ 184 A 6 ADE C6 23 4.60000000e-01 12.0110 0
+ 185 A 6 ADE N6 50 -7.70000000e-01 14.0070 0
+ 186 A 6 ADE H61 2 3.80000000e-01 1.0080 0
+ 187 A 6 ADE H62 2 3.80000000e-01 1.0080 0
+ 188 A 6 ADE C2' 34 1.40000000e-01 12.0110 0
+ 189 A 6 ADE H2'' 11 9.00000000e-02 1.0080 0
+ 190 A 6 ADE O2' 76 -6.60000000e-01 15.9994 0
+ 191 A 6 ADE H2' 9 4.30000000e-01 1.0080 0
+ 192 A 6 ADE C3' 33 1.00000000e-02 12.0110 0
+ 193 A 6 ADE H3' 11 9.00000000e-02 1.0080 0
+ 194 A 6 ADE O3' 73 -5.70000000e-01 15.9994 0
+ 195 A 7 GUA P 82 1.50000000e+00 30.9740 0
+ 196 A 7 GUA O1P 74 -7.80000000e-01 15.9994 0
+ 197 A 7 GUA O2P 74 -7.80000000e-01 15.9994 0
+ 198 A 7 GUA O5' 73 -5.70000000e-01 15.9994 0
+ 199 A 7 GUA C5' 38 -8.00000000e-02 12.0110 0
+ 200 A 7 GUA H5' 12 9.00000000e-02 1.0080 0
+ 201 A 7 GUA H5'' 12 9.00000000e-02 1.0080 0
+ 202 A 7 GUA C4' 33 1.60000000e-01 12.0110 0
+ 203 A 7 GUA H4' 11 9.00000000e-02 1.0080 0
+ 204 A 7 GUA O4' 78 -5.00000000e-01 15.9994 0
+ 205 A 7 GUA C1' 34 1.60000000e-01 12.0110 0
+ 206 A 7 GUA H1' 11 9.00000000e-02 1.0080 0
+ 207 A 7 GUA N9 53 -2.00000000e-02 14.0070 0
+ 208 A 7 GUA C4 31 2.60000000e-01 12.0110 0
+ 209 A 7 GUA N2 50 -6.80000000e-01 14.0070 0
+ 210 A 7 GUA H21 2 3.20000000e-01 1.0080 0
+ 211 A 7 GUA H22 2 3.50000000e-01 1.0080 0
+ 212 A 7 GUA N3 60 -7.40000000e-01 14.0070 0
+ 213 A 7 GUA C2 23 7.50000000e-01 12.0110 0
+ 214 A 7 GUA N1 56 -3.40000000e-01 14.0070 0
+ 215 A 7 GUA H1 3 2.60000000e-01 1.0080 0
+ 216 A 7 GUA C6 20 5.40000000e-01 12.0110 0
+ 217 A 7 GUA O6 71 -5.10000000e-01 15.9994 0
+ 218 A 7 GUA C5 32 0.00000000e+00 12.0110 0
+ 219 A 7 GUA N7 61 -6.00000000e-01 14.0070 0
+ 220 A 7 GUA C8 30 2.50000000e-01 12.0110 0
+ 221 A 7 GUA H8 4 1.60000000e-01 1.0080 0
+ 222 A 7 GUA C2' 34 1.40000000e-01 12.0110 0
+ 223 A 7 GUA H2'' 11 9.00000000e-02 1.0080 0
+ 224 A 7 GUA O2' 76 -6.60000000e-01 15.9994 0
+ 225 A 7 GUA H2' 9 4.30000000e-01 1.0080 0
+ 226 A 7 GUA C3' 33 1.00000000e-02 12.0110 0
+ 227 A 7 GUA H3' 11 9.00000000e-02 1.0080 0
+ 228 A 7 GUA O3' 73 -5.70000000e-01 15.9994 0
+ 229 A 8 THY P 82 1.50000000e+00 30.9740 0
+ 230 A 8 THY O1P 74 -7.80000000e-01 15.9994 0
+ 231 A 8 THY O2P 74 -7.80000000e-01 15.9994 0
+ 232 A 8 THY O5' 73 -5.70000000e-01 15.9994 0
+ 233 A 8 THY C5' 38 -8.00000000e-02 12.0110 0
+ 234 A 8 THY H5' 12 9.00000000e-02 1.0080 0
+ 235 A 8 THY H5'' 12 9.00000000e-02 1.0080 0
+ 236 A 8 THY C4' 33 1.60000000e-01 12.0110 0
+ 237 A 8 THY H4' 11 9.00000000e-02 1.0080 0
+ 238 A 8 THY O4' 78 -5.00000000e-01 15.9994 0
+ 239 A 8 THY C1' 34 1.60000000e-01 12.0110 0
+ 240 A 8 THY H1' 11 9.00000000e-02 1.0080 0
+ 241 A 8 THY N1 53 -3.40000000e-01 14.0070 0
+ 242 A 8 THY C6 24 1.70000000e-01 12.0110 0
+ 243 A 8 THY H6 4 1.70000000e-01 1.0080 0
+ 244 A 8 THY C2 22 5.10000000e-01 12.0110 0
+ 245 A 8 THY O2 71 -4.10000000e-01 15.9994 0
+ 246 A 8 THY N3 55 -4.60000000e-01 14.0070 0
+ 247 A 8 THY H3 3 3.60000000e-01 1.0080 0
+ 248 A 8 THY C4 20 5.00000000e-01 12.0110 0
+ 249 A 8 THY O4 71 -4.50000000e-01 15.9994 0
+ 250 A 8 THY C5 29 -1.50000000e-01 12.0110 0
+ 251 A 8 THY C5M 39 -1.10000000e-01 12.0110 0
+ 252 A 8 THY H51 13 7.00000000e-02 1.0080 0
+ 253 A 8 THY H52 13 7.00000000e-02 1.0080 0
+ 254 A 8 THY H53 13 7.00000000e-02 1.0080 0
+ 255 A 8 THY C2' 34 1.40000000e-01 12.0110 0
+ 256 A 8 THY H2'' 11 9.00000000e-02 1.0080 0
+ 257 A 8 THY O2' 76 -6.60000000e-01 15.9994 0
+ 258 A 8 THY H2' 9 4.30000000e-01 1.0080 0
+ 259 A 8 THY C3' 33 1.00000000e-02 12.0110 0
+ 260 A 8 THY H3' 11 9.00000000e-02 1.0080 0
+ 261 A 8 THY O3' 73 -5.70000000e-01 15.9994 0
+ 262 A 9 THY P 82 1.50000000e+00 30.9740 0
+ 263 A 9 THY O1P 74 -7.80000000e-01 15.9994 0
+ 264 A 9 THY O2P 74 -7.80000000e-01 15.9994 0
+ 265 A 9 THY O5' 73 -5.70000000e-01 15.9994 0
+ 266 A 9 THY C5' 38 -8.00000000e-02 12.0110 0
+ 267 A 9 THY H5' 12 9.00000000e-02 1.0080 0
+ 268 A 9 THY H5'' 12 9.00000000e-02 1.0080 0
+ 269 A 9 THY C4' 33 1.60000000e-01 12.0110 0
+ 270 A 9 THY H4' 11 9.00000000e-02 1.0080 0
+ 271 A 9 THY O4' 78 -5.00000000e-01 15.9994 0
+ 272 A 9 THY C1' 34 1.60000000e-01 12.0110 0
+ 273 A 9 THY H1' 11 9.00000000e-02 1.0080 0
+ 274 A 9 THY N1 53 -3.40000000e-01 14.0070 0
+ 275 A 9 THY C6 24 1.70000000e-01 12.0110 0
+ 276 A 9 THY H6 4 1.70000000e-01 1.0080 0
+ 277 A 9 THY C2 22 5.10000000e-01 12.0110 0
+ 278 A 9 THY O2 71 -4.10000000e-01 15.9994 0
+ 279 A 9 THY N3 55 -4.60000000e-01 14.0070 0
+ 280 A 9 THY H3 3 3.60000000e-01 1.0080 0
+ 281 A 9 THY C4 20 5.00000000e-01 12.0110 0
+ 282 A 9 THY O4 71 -4.50000000e-01 15.9994 0
+ 283 A 9 THY C5 29 -1.50000000e-01 12.0110 0
+ 284 A 9 THY C5M 39 -1.10000000e-01 12.0110 0
+ 285 A 9 THY H51 13 7.00000000e-02 1.0080 0
+ 286 A 9 THY H52 13 7.00000000e-02 1.0080 0
+ 287 A 9 THY H53 13 7.00000000e-02 1.0080 0
+ 288 A 9 THY C2' 34 1.40000000e-01 12.0110 0
+ 289 A 9 THY H2'' 11 9.00000000e-02 1.0080 0
+ 290 A 9 THY O2' 76 -6.60000000e-01 15.9994 0
+ 291 A 9 THY H2' 9 4.30000000e-01 1.0080 0
+ 292 A 9 THY C3' 33 1.00000000e-02 12.0110 0
+ 293 A 9 THY H3' 11 9.00000000e-02 1.0080 0
+ 294 A 9 THY O3' 73 -5.70000000e-01 15.9994 0
+ 295 A 10 ADE P 82 1.50000000e+00 30.9740 0
+ 296 A 10 ADE O1P 74 -7.80000000e-01 15.9994 0
+ 297 A 10 ADE O2P 74 -7.80000000e-01 15.9994 0
+ 298 A 10 ADE O5' 73 -5.70000000e-01 15.9994 0
+ 299 A 10 ADE C5' 38 -8.00000000e-02 12.0110 0
+ 300 A 10 ADE H5' 12 9.00000000e-02 1.0080 0
+ 301 A 10 ADE H5'' 12 9.00000000e-02 1.0080 0
+ 302 A 10 ADE C4' 33 1.60000000e-01 12.0110 0
+ 303 A 10 ADE H4' 11 9.00000000e-02 1.0080 0
+ 304 A 10 ADE O4' 78 -5.00000000e-01 15.9994 0
+ 305 A 10 ADE C1' 34 1.60000000e-01 12.0110 0
+ 306 A 10 ADE H1' 11 9.00000000e-02 1.0080 0
+ 307 A 10 ADE N9 52 -5.00000000e-02 14.0070 0
+ 308 A 10 ADE C5 31 2.80000000e-01 12.0110 0
+ 309 A 10 ADE N7 61 -7.10000000e-01 14.0070 0
+ 310 A 10 ADE C8 30 3.40000000e-01 12.0110 0
+ 311 A 10 ADE H8 4 1.20000000e-01 1.0080 0
+ 312 A 10 ADE N1 58 -7.40000000e-01 14.0070 0
+ 313 A 10 ADE C2 30 5.00000000e-01 12.0110 0
+ 314 A 10 ADE H2 4 1.30000000e-01 1.0080 0
+ 315 A 10 ADE N3 58 -7.50000000e-01 14.0070 0
+ 316 A 10 ADE C4 31 4.30000000e-01 12.0110 0
+ 317 A 10 ADE C6 23 4.60000000e-01 12.0110 0
+ 318 A 10 ADE N6 50 -7.70000000e-01 14.0070 0
+ 319 A 10 ADE H61 2 3.80000000e-01 1.0080 0
+ 320 A 10 ADE H62 2 3.80000000e-01 1.0080 0
+ 321 A 10 ADE C2' 34 1.40000000e-01 12.0110 0
+ 322 A 10 ADE H2'' 11 9.00000000e-02 1.0080 0
+ 323 A 10 ADE O2' 76 -6.60000000e-01 15.9994 0
+ 324 A 10 ADE H2' 9 4.30000000e-01 1.0080 0
+ 325 A 10 ADE C3' 33 1.00000000e-02 12.0110 0
+ 326 A 10 ADE H3' 11 9.00000000e-02 1.0080 0
+ 327 A 10 ADE O3' 73 -5.70000000e-01 15.9994 0
+ 328 A 11 THY P 82 1.50000000e+00 30.9740 0
+ 329 A 11 THY O1P 74 -7.80000000e-01 15.9994 0
+ 330 A 11 THY O2P 74 -7.80000000e-01 15.9994 0
+ 331 A 11 THY O5' 73 -5.70000000e-01 15.9994 0
+ 332 A 11 THY C5' 38 -8.00000000e-02 12.0110 0
+ 333 A 11 THY H5' 12 9.00000000e-02 1.0080 0
+ 334 A 11 THY H5'' 12 9.00000000e-02 1.0080 0
+ 335 A 11 THY C4' 33 1.60000000e-01 12.0110 0
+ 336 A 11 THY H4' 11 9.00000000e-02 1.0080 0
+ 337 A 11 THY O4' 78 -5.00000000e-01 15.9994 0
+ 338 A 11 THY C1' 34 1.60000000e-01 12.0110 0
+ 339 A 11 THY H1' 11 9.00000000e-02 1.0080 0
+ 340 A 11 THY N1 53 -3.40000000e-01 14.0070 0
+ 341 A 11 THY C6 24 1.70000000e-01 12.0110 0
+ 342 A 11 THY H6 4 1.70000000e-01 1.0080 0
+ 343 A 11 THY C2 22 5.10000000e-01 12.0110 0
+ 344 A 11 THY O2 71 -4.10000000e-01 15.9994 0
+ 345 A 11 THY N3 55 -4.60000000e-01 14.0070 0
+ 346 A 11 THY H3 3 3.60000000e-01 1.0080 0
+ 347 A 11 THY C4 20 5.00000000e-01 12.0110 0
+ 348 A 11 THY O4 71 -4.50000000e-01 15.9994 0
+ 349 A 11 THY C5 29 -1.50000000e-01 12.0110 0
+ 350 A 11 THY C5M 39 -1.10000000e-01 12.0110 0
+ 351 A 11 THY H51 13 7.00000000e-02 1.0080 0
+ 352 A 11 THY H52 13 7.00000000e-02 1.0080 0
+ 353 A 11 THY H53 13 7.00000000e-02 1.0080 0
+ 354 A 11 THY C2' 34 1.40000000e-01 12.0110 0
+ 355 A 11 THY H2'' 11 9.00000000e-02 1.0080 0
+ 356 A 11 THY O2' 76 -6.60000000e-01 15.9994 0
+ 357 A 11 THY H2' 9 4.30000000e-01 1.0080 0
+ 358 A 11 THY C3' 33 1.00000000e-02 12.0110 0
+ 359 A 11 THY H3' 11 9.00000000e-02 1.0080 0
+ 360 A 11 THY O3' 73 -5.70000000e-01 15.9994 0
+ 361 A 12 ADE P 82 1.50000000e+00 30.9740 0
+ 362 A 12 ADE O1P 74 -7.80000000e-01 15.9994 0
+ 363 A 12 ADE O2P 74 -7.80000000e-01 15.9994 0
+ 364 A 12 ADE O5' 73 -5.70000000e-01 15.9994 0
+ 365 A 12 ADE C5' 38 -8.00000000e-02 12.0110 0
+ 366 A 12 ADE H5' 12 9.00000000e-02 1.0080 0
+ 367 A 12 ADE H5'' 12 9.00000000e-02 1.0080 0
+ 368 A 12 ADE C4' 33 1.60000000e-01 12.0110 0
+ 369 A 12 ADE H4' 11 9.00000000e-02 1.0080 0
+ 370 A 12 ADE O4' 78 -5.00000000e-01 15.9994 0
+ 371 A 12 ADE C1' 34 1.60000000e-01 12.0110 0
+ 372 A 12 ADE H1' 11 9.00000000e-02 1.0080 0
+ 373 A 12 ADE N9 52 -5.00000000e-02 14.0070 0
+ 374 A 12 ADE C5 31 2.80000000e-01 12.0110 0
+ 375 A 12 ADE N7 61 -7.10000000e-01 14.0070 0
+ 376 A 12 ADE C8 30 3.40000000e-01 12.0110 0
+ 377 A 12 ADE H8 4 1.20000000e-01 1.0080 0
+ 378 A 12 ADE N1 58 -7.40000000e-01 14.0070 0
+ 379 A 12 ADE C2 30 5.00000000e-01 12.0110 0
+ 380 A 12 ADE H2 4 1.30000000e-01 1.0080 0
+ 381 A 12 ADE N3 58 -7.50000000e-01 14.0070 0
+ 382 A 12 ADE C4 31 4.30000000e-01 12.0110 0
+ 383 A 12 ADE C6 23 4.60000000e-01 12.0110 0
+ 384 A 12 ADE N6 50 -7.70000000e-01 14.0070 0
+ 385 A 12 ADE H61 2 3.80000000e-01 1.0080 0
+ 386 A 12 ADE H62 2 3.80000000e-01 1.0080 0
+ 387 A 12 ADE C2' 34 1.40000000e-01 12.0110 0
+ 388 A 12 ADE H2'' 11 9.00000000e-02 1.0080 0
+ 389 A 12 ADE O2' 76 -6.60000000e-01 15.9994 0
+ 390 A 12 ADE H2' 9 4.30000000e-01 1.0080 0
+ 391 A 12 ADE C3' 33 1.00000000e-02 12.0110 0
+ 392 A 12 ADE H3' 11 9.00000000e-02 1.0080 0
+ 393 A 12 ADE O3' 73 -5.70000000e-01 15.9994 0
+ 394 A 13 GUA P 82 1.50000000e+00 30.9740 0
+ 395 A 13 GUA O1P 74 -7.80000000e-01 15.9994 0
+ 396 A 13 GUA O2P 74 -7.80000000e-01 15.9994 0
+ 397 A 13 GUA O5' 73 -5.70000000e-01 15.9994 0
+ 398 A 13 GUA C5' 38 -8.00000000e-02 12.0110 0
+ 399 A 13 GUA H5' 12 9.00000000e-02 1.0080 0
+ 400 A 13 GUA H5'' 12 9.00000000e-02 1.0080 0
+ 401 A 13 GUA C4' 33 1.60000000e-01 12.0110 0
+ 402 A 13 GUA H4' 11 9.00000000e-02 1.0080 0
+ 403 A 13 GUA O4' 78 -5.00000000e-01 15.9994 0
+ 404 A 13 GUA C1' 34 1.60000000e-01 12.0110 0
+ 405 A 13 GUA H1' 11 9.00000000e-02 1.0080 0
+ 406 A 13 GUA N9 53 -2.00000000e-02 14.0070 0
+ 407 A 13 GUA C4 31 2.60000000e-01 12.0110 0
+ 408 A 13 GUA N2 50 -6.80000000e-01 14.0070 0
+ 409 A 13 GUA H21 2 3.20000000e-01 1.0080 0
+ 410 A 13 GUA H22 2 3.50000000e-01 1.0080 0
+ 411 A 13 GUA N3 60 -7.40000000e-01 14.0070 0
+ 412 A 13 GUA C2 23 7.50000000e-01 12.0110 0
+ 413 A 13 GUA N1 56 -3.40000000e-01 14.0070 0
+ 414 A 13 GUA H1 3 2.60000000e-01 1.0080 0
+ 415 A 13 GUA C6 20 5.40000000e-01 12.0110 0
+ 416 A 13 GUA O6 71 -5.10000000e-01 15.9994 0
+ 417 A 13 GUA C5 32 0.00000000e+00 12.0110 0
+ 418 A 13 GUA N7 61 -6.00000000e-01 14.0070 0
+ 419 A 13 GUA C8 30 2.50000000e-01 12.0110 0
+ 420 A 13 GUA H8 4 1.60000000e-01 1.0080 0
+ 421 A 13 GUA C2' 34 1.40000000e-01 12.0110 0
+ 422 A 13 GUA H2'' 11 9.00000000e-02 1.0080 0
+ 423 A 13 GUA O2' 76 -6.60000000e-01 15.9994 0
+ 424 A 13 GUA H2' 9 4.30000000e-01 1.0080 0
+ 425 A 13 GUA C3' 33 1.00000000e-02 12.0110 0
+ 426 A 13 GUA H3' 11 9.00000000e-02 1.0080 0
+ 427 A 13 GUA O3' 73 -5.70000000e-01 15.9994 0
+ 428 A 14 GUA P 82 1.50000000e+00 30.9740 0
+ 429 A 14 GUA O1P 74 -7.80000000e-01 15.9994 0
+ 430 A 14 GUA O2P 74 -7.80000000e-01 15.9994 0
+ 431 A 14 GUA O5' 73 -5.70000000e-01 15.9994 0
+ 432 A 14 GUA C5' 38 -8.00000000e-02 12.0110 0
+ 433 A 14 GUA H5' 12 9.00000000e-02 1.0080 0
+ 434 A 14 GUA H5'' 12 9.00000000e-02 1.0080 0
+ 435 A 14 GUA C4' 33 1.60000000e-01 12.0110 0
+ 436 A 14 GUA H4' 11 9.00000000e-02 1.0080 0
+ 437 A 14 GUA O4' 78 -5.00000000e-01 15.9994 0
+ 438 A 14 GUA C1' 34 1.60000000e-01 12.0110 0
+ 439 A 14 GUA H1' 11 9.00000000e-02 1.0080 0
+ 440 A 14 GUA N9 53 -2.00000000e-02 14.0070 0
+ 441 A 14 GUA C4 31 2.60000000e-01 12.0110 0
+ 442 A 14 GUA N2 50 -6.80000000e-01 14.0070 0
+ 443 A 14 GUA H21 2 3.20000000e-01 1.0080 0
+ 444 A 14 GUA H22 2 3.50000000e-01 1.0080 0
+ 445 A 14 GUA N3 60 -7.40000000e-01 14.0070 0
+ 446 A 14 GUA C2 23 7.50000000e-01 12.0110 0
+ 447 A 14 GUA N1 56 -3.40000000e-01 14.0070 0
+ 448 A 14 GUA H1 3 2.60000000e-01 1.0080 0
+ 449 A 14 GUA C6 20 5.40000000e-01 12.0110 0
+ 450 A 14 GUA O6 71 -5.10000000e-01 15.9994 0
+ 451 A 14 GUA C5 32 0.00000000e+00 12.0110 0
+ 452 A 14 GUA N7 61 -6.00000000e-01 14.0070 0
+ 453 A 14 GUA C8 30 2.50000000e-01 12.0110 0
+ 454 A 14 GUA H8 4 1.60000000e-01 1.0080 0
+ 455 A 14 GUA C2' 34 1.40000000e-01 12.0110 0
+ 456 A 14 GUA H2'' 11 9.00000000e-02 1.0080 0
+ 457 A 14 GUA O2' 76 -6.60000000e-01 15.9994 0
+ 458 A 14 GUA H2' 9 4.30000000e-01 1.0080 0
+ 459 A 14 GUA C3' 33 1.00000000e-02 12.0110 0
+ 460 A 14 GUA H3' 11 9.00000000e-02 1.0080 0
+ 461 A 14 GUA O3' 73 -5.70000000e-01 15.9994 0
+ 462 A 15 ADE P 82 1.50000000e+00 30.9740 0
+ 463 A 15 ADE O1P 74 -7.80000000e-01 15.9994 0
+ 464 A 15 ADE O2P 74 -7.80000000e-01 15.9994 0
+ 465 A 15 ADE O5' 73 -5.70000000e-01 15.9994 0
+ 466 A 15 ADE C5' 38 -8.00000000e-02 12.0110 0
+ 467 A 15 ADE H5' 12 9.00000000e-02 1.0080 0
+ 468 A 15 ADE H5'' 12 9.00000000e-02 1.0080 0
+ 469 A 15 ADE C4' 33 1.60000000e-01 12.0110 0
+ 470 A 15 ADE H4' 11 9.00000000e-02 1.0080 0
+ 471 A 15 ADE O4' 78 -5.00000000e-01 15.9994 0
+ 472 A 15 ADE C1' 34 1.60000000e-01 12.0110 0
+ 473 A 15 ADE H1' 11 9.00000000e-02 1.0080 0
+ 474 A 15 ADE N9 52 -5.00000000e-02 14.0070 0
+ 475 A 15 ADE C5 31 2.80000000e-01 12.0110 0
+ 476 A 15 ADE N7 61 -7.10000000e-01 14.0070 0
+ 477 A 15 ADE C8 30 3.40000000e-01 12.0110 0
+ 478 A 15 ADE H8 4 1.20000000e-01 1.0080 0
+ 479 A 15 ADE N1 58 -7.40000000e-01 14.0070 0
+ 480 A 15 ADE C2 30 5.00000000e-01 12.0110 0
+ 481 A 15 ADE H2 4 1.30000000e-01 1.0080 0
+ 482 A 15 ADE N3 58 -7.50000000e-01 14.0070 0
+ 483 A 15 ADE C4 31 4.30000000e-01 12.0110 0
+ 484 A 15 ADE C6 23 4.60000000e-01 12.0110 0
+ 485 A 15 ADE N6 50 -7.70000000e-01 14.0070 0
+ 486 A 15 ADE H61 2 3.80000000e-01 1.0080 0
+ 487 A 15 ADE H62 2 3.80000000e-01 1.0080 0
+ 488 A 15 ADE C2' 34 1.40000000e-01 12.0110 0
+ 489 A 15 ADE H2'' 11 9.00000000e-02 1.0080 0
+ 490 A 15 ADE O2' 76 -6.60000000e-01 15.9994 0
+ 491 A 15 ADE H2' 9 4.30000000e-01 1.0080 0
+ 492 A 15 ADE C3' 33 1.00000000e-02 12.0110 0
+ 493 A 15 ADE H3' 11 9.00000000e-02 1.0080 0
+ 494 A 15 ADE O3' 73 -5.70000000e-01 15.9994 0
+ 495 A 16 THY P 82 1.50000000e+00 30.9740 0
+ 496 A 16 THY O1P 74 -7.80000000e-01 15.9994 0
+ 497 A 16 THY O2P 74 -7.80000000e-01 15.9994 0
+ 498 A 16 THY O5' 73 -5.70000000e-01 15.9994 0
+ 499 A 16 THY C5' 38 -8.00000000e-02 12.0110 0
+ 500 A 16 THY H5' 12 9.00000000e-02 1.0080 0
+ 501 A 16 THY H5'' 12 9.00000000e-02 1.0080 0
+ 502 A 16 THY C4' 33 1.60000000e-01 12.0110 0
+ 503 A 16 THY H4' 11 9.00000000e-02 1.0080 0
+ 504 A 16 THY O4' 78 -5.00000000e-01 15.9994 0
+ 505 A 16 THY C1' 34 1.60000000e-01 12.0110 0
+ 506 A 16 THY H1' 11 9.00000000e-02 1.0080 0
+ 507 A 16 THY N1 53 -3.40000000e-01 14.0070 0
+ 508 A 16 THY C6 24 1.70000000e-01 12.0110 0
+ 509 A 16 THY H6 4 1.70000000e-01 1.0080 0
+ 510 A 16 THY C2 22 5.10000000e-01 12.0110 0
+ 511 A 16 THY O2 71 -4.10000000e-01 15.9994 0
+ 512 A 16 THY N3 55 -4.60000000e-01 14.0070 0
+ 513 A 16 THY H3 3 3.60000000e-01 1.0080 0
+ 514 A 16 THY C4 20 5.00000000e-01 12.0110 0
+ 515 A 16 THY O4 71 -4.50000000e-01 15.9994 0
+ 516 A 16 THY C5 29 -1.50000000e-01 12.0110 0
+ 517 A 16 THY C5M 39 -1.10000000e-01 12.0110 0
+ 518 A 16 THY H51 13 7.00000000e-02 1.0080 0
+ 519 A 16 THY H52 13 7.00000000e-02 1.0080 0
+ 520 A 16 THY H53 13 7.00000000e-02 1.0080 0
+ 521 A 16 THY C2' 34 1.40000000e-01 12.0110 0
+ 522 A 16 THY H2'' 11 9.00000000e-02 1.0080 0
+ 523 A 16 THY O2' 76 -6.60000000e-01 15.9994 0
+ 524 A 16 THY H2' 9 4.30000000e-01 1.0080 0
+ 525 A 16 THY C3' 33 1.00000000e-02 12.0110 0
+ 526 A 16 THY H3' 11 9.00000000e-02 1.0080 0
+ 527 A 16 THY O3' 73 -5.70000000e-01 15.9994 0
+ 528 WATR 1 HOH OT 70 -8.34000000e-01 15.9994 0
+ 529 WATR 1 HOH HT 1 4.17000000e-01 1.00800 0
+ 530 WATR 1 HOH HT 1 4.17000000e-01 1.00800 0
+ 531 WATR 2 HOH OT 70 -8.34000000e-01 15.9994 0
+ 532 WATR 2 HOH HT 1 4.17000000e-01 1.00800 0
+ 533 WATR 2 HOH HT 1 4.17000000e-01 1.00800 0
+ 534 SALT 1 ION SOD 90 1.00000000e+00 22.9897 0
+ 535 WATR 3 HOH OT 70 -8.34000000e-01 15.9994 0
+ 536 WATR 3 HOH HT 1 4.17000000e-01 1.00800 0
+ 537 WATR 3 HOH HT 1 4.17000000e-01 1.00800 0
+ 538 WATR 4 HOH OT 70 -8.34000000e-01 15.9994 0
+ 539 WATR 4 HOH HT 1 4.17000000e-01 1.00800 0
+ 540 WATR 4 HOH HT 1 4.17000000e-01 1.00800 0
+ 541 SALT 2 ION SOD 90 1.00000000e+00 22.9897 0
+ 542 WATR 5 HOH OT 70 -8.34000000e-01 15.9994 0
+ 543 WATR 5 HOH HT 1 4.17000000e-01 1.00800 0
+ 544 WATR 5 HOH HT 1 4.17000000e-01 1.00800 0
+ 545 WATR 6 HOH OT 70 -8.34000000e-01 15.9994 0
+ 546 WATR 6 HOH HT 1 4.17000000e-01 1.00800 0
+ 547 WATR 6 HOH HT 1 4.17000000e-01 1.00800 0
+ 548 WATR 7 HOH OT 70 -8.34000000e-01 15.9994 0
+ 549 WATR 7 HOH HT 1 4.17000000e-01 1.00800 0
+ 550 WATR 7 HOH HT 1 4.17000000e-01 1.00800 0
+ 551 WATR 8 HOH OT 70 -8.34000000e-01 15.9994 0
+ 552 WATR 8 HOH HT 1 4.17000000e-01 1.00800 0
+ 553 WATR 8 HOH HT 1 4.17000000e-01 1.00800 0
+ 554 WATR 9 HOH OT 70 -8.34000000e-01 15.9994 0
+ 555 WATR 9 HOH HT 1 4.17000000e-01 1.00800 0
+ 556 WATR 9 HOH HT 1 4.17000000e-01 1.00800 0
+ 557 WATR 10 HOH OT 70 -8.34000000e-01 15.9994 0
+ 558 WATR 10 HOH HT 1 4.17000000e-01 1.00800 0
+ 559 WATR 10 HOH HT 1 4.17000000e-01 1.00800 0
+ 560 WATR 11 HOH OT 70 -8.34000000e-01 15.9994 0
+ 561 WATR 11 HOH HT 1 4.17000000e-01 1.00800 0
+ 562 WATR 11 HOH HT 1 4.17000000e-01 1.00800 0
+ 563 WATR 12 HOH OT 70 -8.34000000e-01 15.9994 0
+ 564 WATR 12 HOH HT 1 4.17000000e-01 1.00800 0
+ 565 WATR 12 HOH HT 1 4.17000000e-01 1.00800 0
+ 566 WATR 13 HOH OT 70 -8.34000000e-01 15.9994 0
+ 567 WATR 13 HOH HT 1 4.17000000e-01 1.00800 0
+ 568 WATR 13 HOH HT 1 4.17000000e-01 1.00800 0
+ 569 WATR 14 HOH OT 70 -8.34000000e-01 15.9994 0
+ 570 WATR 14 HOH HT 1 4.17000000e-01 1.00800 0
+ 571 WATR 14 HOH HT 1 4.17000000e-01 1.00800 0
+ 572 WATR 15 HOH OT 70 -8.34000000e-01 15.9994 0
+ 573 WATR 15 HOH HT 1 4.17000000e-01 1.00800 0
+ 574 WATR 15 HOH HT 1 4.17000000e-01 1.00800 0
+ 575 WATR 16 HOH OT 70 -8.34000000e-01 15.9994 0
+ 576 WATR 16 HOH HT 1 4.17000000e-01 1.00800 0
+ 577 WATR 16 HOH HT 1 4.17000000e-01 1.00800 0
+ 578 WATR 17 HOH OT 70 -8.34000000e-01 15.9994 0
+ 579 WATR 17 HOH HT 1 4.17000000e-01 1.00800 0
+ 580 WATR 17 HOH HT 1 4.17000000e-01 1.00800 0
+ 581 WATR 18 HOH OT 70 -8.34000000e-01 15.9994 0
+ 582 WATR 18 HOH HT 1 4.17000000e-01 1.00800 0
+ 583 WATR 18 HOH HT 1 4.17000000e-01 1.00800 0
+ 584 WATR 19 HOH OT 70 -8.34000000e-01 15.9994 0
+ 585 WATR 19 HOH HT 1 4.17000000e-01 1.00800 0
+ 586 WATR 19 HOH HT 1 4.17000000e-01 1.00800 0
+ 587 WATR 20 HOH OT 70 -8.34000000e-01 15.9994 0
+ 588 WATR 20 HOH HT 1 4.17000000e-01 1.00800 0
+ 589 WATR 20 HOH HT 1 4.17000000e-01 1.00800 0
+ 590 WATR 21 HOH OT 70 -8.34000000e-01 15.9994 0
+ 591 WATR 21 HOH HT 1 4.17000000e-01 1.00800 0
+ 592 WATR 21 HOH HT 1 4.17000000e-01 1.00800 0
+ 593 WATR 22 HOH OT 70 -8.34000000e-01 15.9994 0
+ 594 WATR 22 HOH HT 1 4.17000000e-01 1.00800 0
+ 595 WATR 22 HOH HT 1 4.17000000e-01 1.00800 0
+ 596 WATR 23 HOH OT 70 -8.34000000e-01 15.9994 0
+ 597 WATR 23 HOH HT 1 4.17000000e-01 1.00800 0
+ 598 WATR 23 HOH HT 1 4.17000000e-01 1.00800 0
+ 599 WATR 24 HOH OT 70 -8.34000000e-01 15.9994 0
+ 600 WATR 24 HOH HT 1 4.17000000e-01 1.00800 0
+ 601 WATR 24 HOH HT 1 4.17000000e-01 1.00800 0
+ 602 WATR 25 HOH OT 70 -8.34000000e-01 15.9994 0
+ 603 WATR 25 HOH HT 1 4.17000000e-01 1.00800 0
+ 604 WATR 25 HOH HT 1 4.17000000e-01 1.00800 0
+ 605 WATR 26 HOH OT 70 -8.34000000e-01 15.9994 0
+ 606 WATR 26 HOH HT 1 4.17000000e-01 1.00800 0
+ 607 WATR 26 HOH HT 1 4.17000000e-01 1.00800 0
+ 608 WATR 27 HOH OT 70 -8.34000000e-01 15.9994 0
+ 609 WATR 27 HOH HT 1 4.17000000e-01 1.00800 0
+ 610 WATR 27 HOH HT 1 4.17000000e-01 1.00800 0
+ 611 WATR 28 HOH OT 70 -8.34000000e-01 15.9994 0
+ 612 WATR 28 HOH HT 1 4.17000000e-01 1.00800 0
+ 613 WATR 28 HOH HT 1 4.17000000e-01 1.00800 0
+ 614 WATR 29 HOH OT 70 -8.34000000e-01 15.9994 0
+ 615 WATR 29 HOH HT 1 4.17000000e-01 1.00800 0
+ 616 WATR 29 HOH HT 1 4.17000000e-01 1.00800 0
+ 617 WATR 30 HOH OT 70 -8.34000000e-01 15.9994 0
+ 618 WATR 30 HOH HT 1 4.17000000e-01 1.00800 0
+ 619 WATR 30 HOH HT 1 4.17000000e-01 1.00800 0
+ 620 WATR 31 HOH OT 70 -8.34000000e-01 15.9994 0
+ 621 WATR 31 HOH HT 1 4.17000000e-01 1.00800 0
+ 622 WATR 31 HOH HT 1 4.17000000e-01 1.00800 0
+ 623 WATR 32 HOH OT 70 -8.34000000e-01 15.9994 0
+ 624 WATR 32 HOH HT 1 4.17000000e-01 1.00800 0
+ 625 WATR 32 HOH HT 1 4.17000000e-01 1.00800 0
+ 626 WATR 33 HOH OT 70 -8.34000000e-01 15.9994 0
+ 627 WATR 33 HOH HT 1 4.17000000e-01 1.00800 0
+ 628 WATR 33 HOH HT 1 4.17000000e-01 1.00800 0
+ 629 WATR 34 HOH OT 70 -8.34000000e-01 15.9994 0
+ 630 WATR 34 HOH HT 1 4.17000000e-01 1.00800 0
+ 631 WATR 34 HOH HT 1 4.17000000e-01 1.00800 0
+ 632 WATR 35 HOH OT 70 -8.34000000e-01 15.9994 0
+ 633 WATR 35 HOH HT 1 4.17000000e-01 1.00800 0
+ 634 WATR 35 HOH HT 1 4.17000000e-01 1.00800 0
+ 635 WATR 36 HOH OT 70 -8.34000000e-01 15.9994 0
+ 636 WATR 36 HOH HT 1 4.17000000e-01 1.00800 0
+ 637 WATR 36 HOH HT 1 4.17000000e-01 1.00800 0
+ 638 WATR 37 HOH OT 70 -8.34000000e-01 15.9994 0
+ 639 WATR 37 HOH HT 1 4.17000000e-01 1.00800 0
+ 640 WATR 37 HOH HT 1 4.17000000e-01 1.00800 0
+ 641 WATR 38 HOH OT 70 -8.34000000e-01 15.9994 0
+ 642 WATR 38 HOH HT 1 4.17000000e-01 1.00800 0
+ 643 WATR 38 HOH HT 1 4.17000000e-01 1.00800 0
+ 644 WATR 39 HOH OT 70 -8.34000000e-01 15.9994 0
+ 645 WATR 39 HOH HT 1 4.17000000e-01 1.00800 0
+ 646 WATR 39 HOH HT 1 4.17000000e-01 1.00800 0
+ 647 WATR 40 HOH OT 70 -8.34000000e-01 15.9994 0
+ 648 WATR 40 HOH HT 1 4.17000000e-01 1.00800 0
+ 649 WATR 40 HOH HT 1 4.17000000e-01 1.00800 0
+ 650 WATR 41 HOH OT 70 -8.34000000e-01 15.9994 0
+ 651 WATR 41 HOH HT 1 4.17000000e-01 1.00800 0
+ 652 WATR 41 HOH HT 1 4.17000000e-01 1.00800 0
+ 653 WATR 42 HOH OT 70 -8.34000000e-01 15.9994 0
+ 654 WATR 42 HOH HT 1 4.17000000e-01 1.00800 0
+ 655 WATR 42 HOH HT 1 4.17000000e-01 1.00800 0
+ 656 WATR 43 HOH OT 70 -8.34000000e-01 15.9994 0
+ 657 WATR 43 HOH HT 1 4.17000000e-01 1.00800 0
+ 658 WATR 43 HOH HT 1 4.17000000e-01 1.00800 0
+ 659 WATR 44 HOH OT 70 -8.34000000e-01 15.9994 0
+ 660 WATR 44 HOH HT 1 4.17000000e-01 1.00800 0
+ 661 WATR 44 HOH HT 1 4.17000000e-01 1.00800 0
+ 662 WATR 45 HOH OT 70 -8.34000000e-01 15.9994 0
+ 663 WATR 45 HOH HT 1 4.17000000e-01 1.00800 0
+ 664 WATR 45 HOH HT 1 4.17000000e-01 1.00800 0
+ 665 WATR 46 HOH OT 70 -8.34000000e-01 15.9994 0
+ 666 WATR 46 HOH HT 1 4.17000000e-01 1.00800 0
+ 667 WATR 46 HOH HT 1 4.17000000e-01 1.00800 0
+ 668 WATR 47 HOH OT 70 -8.34000000e-01 15.9994 0
+ 669 WATR 47 HOH HT 1 4.17000000e-01 1.00800 0
+ 670 WATR 47 HOH HT 1 4.17000000e-01 1.00800 0
+ 671 WATR 48 HOH OT 70 -8.34000000e-01 15.9994 0
+ 672 WATR 48 HOH HT 1 4.17000000e-01 1.00800 0
+ 673 WATR 48 HOH HT 1 4.17000000e-01 1.00800 0
+ 674 WATR 49 HOH OT 70 -8.34000000e-01 15.9994 0
+ 675 WATR 49 HOH HT 1 4.17000000e-01 1.00800 0
+ 676 WATR 49 HOH HT 1 4.17000000e-01 1.00800 0
+ 677 WATR 50 HOH OT 70 -8.34000000e-01 15.9994 0
+ 678 WATR 50 HOH HT 1 4.17000000e-01 1.00800 0
+ 679 WATR 50 HOH HT 1 4.17000000e-01 1.00800 0
+ 680 WATR 51 HOH OT 70 -8.34000000e-01 15.9994 0
+ 681 WATR 51 HOH HT 1 4.17000000e-01 1.00800 0
+ 682 WATR 51 HOH HT 1 4.17000000e-01 1.00800 0
+ 683 WATR 52 HOH OT 70 -8.34000000e-01 15.9994 0
+ 684 WATR 52 HOH HT 1 4.17000000e-01 1.00800 0
+ 685 WATR 52 HOH HT 1 4.17000000e-01 1.00800 0
+ 686 WATR 53 HOH OT 70 -8.34000000e-01 15.9994 0
+ 687 WATR 53 HOH HT 1 4.17000000e-01 1.00800 0
+ 688 WATR 53 HOH HT 1 4.17000000e-01 1.00800 0
+ 689 WATR 54 HOH OT 70 -8.34000000e-01 15.9994 0
+ 690 WATR 54 HOH HT 1 4.17000000e-01 1.00800 0
+ 691 WATR 54 HOH HT 1 4.17000000e-01 1.00800 0
+ 692 WATR 55 HOH OT 70 -8.34000000e-01 15.9994 0
+ 693 WATR 55 HOH HT 1 4.17000000e-01 1.00800 0
+ 694 WATR 55 HOH HT 1 4.17000000e-01 1.00800 0
+ 695 WATR 56 HOH OT 70 -8.34000000e-01 15.9994 0
+ 696 WATR 56 HOH HT 1 4.17000000e-01 1.00800 0
+ 697 WATR 56 HOH HT 1 4.17000000e-01 1.00800 0
+ 698 WATR 57 HOH OT 70 -8.34000000e-01 15.9994 0
+ 699 WATR 57 HOH HT 1 4.17000000e-01 1.00800 0
+ 700 WATR 57 HOH HT 1 4.17000000e-01 1.00800 0
+ 701 WATR 58 HOH OT 70 -8.34000000e-01 15.9994 0
+ 702 WATR 58 HOH HT 1 4.17000000e-01 1.00800 0
+ 703 WATR 58 HOH HT 1 4.17000000e-01 1.00800 0
+ 704 WATR 59 HOH OT 70 -8.34000000e-01 15.9994 0
+ 705 WATR 59 HOH HT 1 4.17000000e-01 1.00800 0
+ 706 WATR 59 HOH HT 1 4.17000000e-01 1.00800 0
+ 707 WATR 60 HOH OT 70 -8.34000000e-01 15.9994 0
+ 708 WATR 60 HOH HT 1 4.17000000e-01 1.00800 0
+ 709 WATR 60 HOH HT 1 4.17000000e-01 1.00800 0
+ 710 WATR 61 HOH OT 70 -8.34000000e-01 15.9994 0
+ 711 WATR 61 HOH HT 1 4.17000000e-01 1.00800 0
+ 712 WATR 61 HOH HT 1 4.17000000e-01 1.00800 0
+ 713 WATR 62 HOH OT 70 -8.34000000e-01 15.9994 0
+ 714 WATR 62 HOH HT 1 4.17000000e-01 1.00800 0
+ 715 WATR 62 HOH HT 1 4.17000000e-01 1.00800 0
+ 716 WATR 63 HOH OT 70 -8.34000000e-01 15.9994 0
+ 717 WATR 63 HOH HT 1 4.17000000e-01 1.00800 0
+ 718 WATR 63 HOH HT 1 4.17000000e-01 1.00800 0
+ 719 WATR 64 HOH OT 70 -8.34000000e-01 15.9994 0
+ 720 WATR 64 HOH HT 1 4.17000000e-01 1.00800 0
+ 721 WATR 64 HOH HT 1 4.17000000e-01 1.00800 0
+ 722 WATR 65 HOH OT 70 -8.34000000e-01 15.9994 0
+ 723 WATR 65 HOH HT 1 4.17000000e-01 1.00800 0
+ 724 WATR 65 HOH HT 1 4.17000000e-01 1.00800 0
+ 725 WATR 66 HOH OT 70 -8.34000000e-01 15.9994 0
+ 726 WATR 66 HOH HT 1 4.17000000e-01 1.00800 0
+ 727 WATR 66 HOH HT 1 4.17000000e-01 1.00800 0
+ 728 WATR 67 HOH OT 70 -8.34000000e-01 15.9994 0
+ 729 WATR 67 HOH HT 1 4.17000000e-01 1.00800 0
+ 730 WATR 67 HOH HT 1 4.17000000e-01 1.00800 0
+ 731 WATR 68 HOH OT 70 -8.34000000e-01 15.9994 0
+ 732 WATR 68 HOH HT 1 4.17000000e-01 1.00800 0
+ 733 WATR 68 HOH HT 1 4.17000000e-01 1.00800 0
+ 734 WATR 69 HOH OT 70 -8.34000000e-01 15.9994 0
+ 735 WATR 69 HOH HT 1 4.17000000e-01 1.00800 0
+ 736 WATR 69 HOH HT 1 4.17000000e-01 1.00800 0
+ 737 WATR 70 HOH OT 70 -8.34000000e-01 15.9994 0
+ 738 WATR 70 HOH HT 1 4.17000000e-01 1.00800 0
+ 739 WATR 70 HOH HT 1 4.17000000e-01 1.00800 0
+ 740 WATR 71 HOH OT 70 -8.34000000e-01 15.9994 0
+ 741 WATR 71 HOH HT 1 4.17000000e-01 1.00800 0
+ 742 WATR 71 HOH HT 1 4.17000000e-01 1.00800 0
+ 743 WATR 72 HOH OT 70 -8.34000000e-01 15.9994 0
+ 744 WATR 72 HOH HT 1 4.17000000e-01 1.00800 0
+ 745 WATR 72 HOH HT 1 4.17000000e-01 1.00800 0
+ 746 WATR 73 HOH OT 70 -8.34000000e-01 15.9994 0
+ 747 WATR 73 HOH HT 1 4.17000000e-01 1.00800 0
+ 748 WATR 73 HOH HT 1 4.17000000e-01 1.00800 0
+ 749 WATR 74 HOH OT 70 -8.34000000e-01 15.9994 0
+ 750 WATR 74 HOH HT 1 4.17000000e-01 1.00800 0
+ 751 WATR 74 HOH HT 1 4.17000000e-01 1.00800 0
+ 752 WATR 75 HOH OT 70 -8.34000000e-01 15.9994 0
+ 753 WATR 75 HOH HT 1 4.17000000e-01 1.00800 0
+ 754 WATR 75 HOH HT 1 4.17000000e-01 1.00800 0
+ 755 WATR 76 HOH OT 70 -8.34000000e-01 15.9994 0
+ 756 WATR 76 HOH HT 1 4.17000000e-01 1.00800 0
+ 757 WATR 76 HOH HT 1 4.17000000e-01 1.00800 0
+ 758 WATR 77 HOH OT 70 -8.34000000e-01 15.9994 0
+ 759 WATR 77 HOH HT 1 4.17000000e-01 1.00800 0
+ 760 WATR 77 HOH HT 1 4.17000000e-01 1.00800 0
+ 761 WATR 78 HOH OT 70 -8.34000000e-01 15.9994 0
+ 762 WATR 78 HOH HT 1 4.17000000e-01 1.00800 0
+ 763 WATR 78 HOH HT 1 4.17000000e-01 1.00800 0
+ 764 WATR 79 HOH OT 70 -8.34000000e-01 15.9994 0
+ 765 WATR 79 HOH HT 1 4.17000000e-01 1.00800 0
+ 766 WATR 79 HOH HT 1 4.17000000e-01 1.00800 0
+ 767 WATR 80 HOH OT 70 -8.34000000e-01 15.9994 0
+ 768 WATR 80 HOH HT 1 4.17000000e-01 1.00800 0
+ 769 WATR 80 HOH HT 1 4.17000000e-01 1.00800 0
+ 770 WATR 81 HOH OT 70 -8.34000000e-01 15.9994 0
+ 771 WATR 81 HOH HT 1 4.17000000e-01 1.00800 0
+ 772 WATR 81 HOH HT 1 4.17000000e-01 1.00800 0
+ 773 WATR 82 HOH OT 70 -8.34000000e-01 15.9994 0
+ 774 WATR 82 HOH HT 1 4.17000000e-01 1.00800 0
+ 775 WATR 82 HOH HT 1 4.17000000e-01 1.00800 0
+ 776 WATR 83 HOH OT 70 -8.34000000e-01 15.9994 0
+ 777 WATR 83 HOH HT 1 4.17000000e-01 1.00800 0
+ 778 WATR 83 HOH HT 1 4.17000000e-01 1.00800 0
+ 779 WATR 84 HOH OT 70 -8.34000000e-01 15.9994 0
+ 780 WATR 84 HOH HT 1 4.17000000e-01 1.00800 0
+ 781 WATR 84 HOH HT 1 4.17000000e-01 1.00800 0
+ 782 WATR 85 HOH OT 70 -8.34000000e-01 15.9994 0
+ 783 WATR 85 HOH HT 1 4.17000000e-01 1.00800 0
+ 784 WATR 85 HOH HT 1 4.17000000e-01 1.00800 0
+ 785 WATR 86 HOH OT 70 -8.34000000e-01 15.9994 0
+ 786 WATR 86 HOH HT 1 4.17000000e-01 1.00800 0
+ 787 WATR 86 HOH HT 1 4.17000000e-01 1.00800 0
+ 788 WATR 87 HOH OT 70 -8.34000000e-01 15.9994 0
+ 789 WATR 87 HOH HT 1 4.17000000e-01 1.00800 0
+ 790 WATR 87 HOH HT 1 4.17000000e-01 1.00800 0
+ 791 WATR 88 HOH OT 70 -8.34000000e-01 15.9994 0
+ 792 WATR 88 HOH HT 1 4.17000000e-01 1.00800 0
+ 793 WATR 88 HOH HT 1 4.17000000e-01 1.00800 0
+ 794 WATR 89 HOH OT 70 -8.34000000e-01 15.9994 0
+ 795 WATR 89 HOH HT 1 4.17000000e-01 1.00800 0
+ 796 WATR 89 HOH HT 1 4.17000000e-01 1.00800 0
+ 797 WATR 90 HOH OT 70 -8.34000000e-01 15.9994 0
+ 798 WATR 90 HOH HT 1 4.17000000e-01 1.00800 0
+ 799 WATR 90 HOH HT 1 4.17000000e-01 1.00800 0
+ 800 WATR 91 HOH OT 70 -8.34000000e-01 15.9994 0
+ 801 WATR 91 HOH HT 1 4.17000000e-01 1.00800 0
+ 802 WATR 91 HOH HT 1 4.17000000e-01 1.00800 0
+ 803 WATR 92 HOH OT 70 -8.34000000e-01 15.9994 0
+ 804 WATR 92 HOH HT 1 4.17000000e-01 1.00800 0
+ 805 WATR 92 HOH HT 1 4.17000000e-01 1.00800 0
+ 806 WATR 93 HOH OT 70 -8.34000000e-01 15.9994 0
+ 807 WATR 93 HOH HT 1 4.17000000e-01 1.00800 0
+ 808 WATR 93 HOH HT 1 4.17000000e-01 1.00800 0
+ 809 WATR 94 HOH OT 70 -8.34000000e-01 15.9994 0
+ 810 WATR 94 HOH HT 1 4.17000000e-01 1.00800 0
+ 811 WATR 94 HOH HT 1 4.17000000e-01 1.00800 0
+ 812 WATR 95 HOH OT 70 -8.34000000e-01 15.9994 0
+ 813 WATR 95 HOH HT 1 4.17000000e-01 1.00800 0
+ 814 WATR 95 HOH HT 1 4.17000000e-01 1.00800 0
+ 815 WATR 96 HOH OT 70 -8.34000000e-01 15.9994 0
+ 816 WATR 96 HOH HT 1 4.17000000e-01 1.00800 0
+ 817 WATR 96 HOH HT 1 4.17000000e-01 1.00800 0
+ 818 WATR 97 HOH OT 70 -8.34000000e-01 15.9994 0
+ 819 WATR 97 HOH HT 1 4.17000000e-01 1.00800 0
+ 820 WATR 97 HOH HT 1 4.17000000e-01 1.00800 0
+ 821 WATR 98 HOH OT 70 -8.34000000e-01 15.9994 0
+ 822 WATR 98 HOH HT 1 4.17000000e-01 1.00800 0
+ 823 WATR 98 HOH HT 1 4.17000000e-01 1.00800 0
+ 824 SALT 3 ION SOD 90 1.00000000e+00 22.9897 0
+ 825 WATR 99 HOH OT 70 -8.34000000e-01 15.9994 0
+ 826 WATR 99 HOH HT 1 4.17000000e-01 1.00800 0
+ 827 WATR 99 HOH HT 1 4.17000000e-01 1.00800 0
+ 828 WATR 100 HOH OT 70 -8.34000000e-01 15.9994 0
+ 829 WATR 100 HOH HT 1 4.17000000e-01 1.00800 0
+ 830 WATR 100 HOH HT 1 4.17000000e-01 1.00800 0
+ 831 WATR 101 HOH OT 70 -8.34000000e-01 15.9994 0
+ 832 WATR 101 HOH HT 1 4.17000000e-01 1.00800 0
+ 833 WATR 101 HOH HT 1 4.17000000e-01 1.00800 0
+ 834 WATR 102 HOH OT 70 -8.34000000e-01 15.9994 0
+ 835 WATR 102 HOH HT 1 4.17000000e-01 1.00800 0
+ 836 WATR 102 HOH HT 1 4.17000000e-01 1.00800 0
+ 837 WATR 103 HOH OT 70 -8.34000000e-01 15.9994 0
+ 838 WATR 103 HOH HT 1 4.17000000e-01 1.00800 0
+ 839 WATR 103 HOH HT 1 4.17000000e-01 1.00800 0
+ 840 WATR 104 HOH OT 70 -8.34000000e-01 15.9994 0
+ 841 WATR 104 HOH HT 1 4.17000000e-01 1.00800 0
+ 842 WATR 104 HOH HT 1 4.17000000e-01 1.00800 0
+ 843 WATR 105 HOH OT 70 -8.34000000e-01 15.9994 0
+ 844 WATR 105 HOH HT 1 4.17000000e-01 1.00800 0
+ 845 WATR 105 HOH HT 1 4.17000000e-01 1.00800 0
+ 846 WATR 106 HOH OT 70 -8.34000000e-01 15.9994 0
+ 847 WATR 106 HOH HT 1 4.17000000e-01 1.00800 0
+ 848 WATR 106 HOH HT 1 4.17000000e-01 1.00800 0
+ 849 WATR 107 HOH OT 70 -8.34000000e-01 15.9994 0
+ 850 WATR 107 HOH HT 1 4.17000000e-01 1.00800 0
+ 851 WATR 107 HOH HT 1 4.17000000e-01 1.00800 0
+ 852 WATR 108 HOH OT 70 -8.34000000e-01 15.9994 0
+ 853 WATR 108 HOH HT 1 4.17000000e-01 1.00800 0
+ 854 WATR 108 HOH HT 1 4.17000000e-01 1.00800 0
+ 855 WATR 109 HOH OT 70 -8.34000000e-01 15.9994 0
+ 856 WATR 109 HOH HT 1 4.17000000e-01 1.00800 0
+ 857 WATR 109 HOH HT 1 4.17000000e-01 1.00800 0
+ 858 SALT 4 ION SOD 90 1.00000000e+00 22.9897 0
+ 859 WATR 110 HOH OT 70 -8.34000000e-01 15.9994 0
+ 860 WATR 110 HOH HT 1 4.17000000e-01 1.00800 0
+ 861 WATR 110 HOH HT 1 4.17000000e-01 1.00800 0
+ 862 WATR 111 HOH OT 70 -8.34000000e-01 15.9994 0
+ 863 WATR 111 HOH HT 1 4.17000000e-01 1.00800 0
+ 864 WATR 111 HOH HT 1 4.17000000e-01 1.00800 0
+ 865 SALT 5 ION SOD 90 1.00000000e+00 22.9897 0
+ 866 WATR 112 HOH OT 70 -8.34000000e-01 15.9994 0
+ 867 WATR 112 HOH HT 1 4.17000000e-01 1.00800 0
+ 868 WATR 112 HOH HT 1 4.17000000e-01 1.00800 0
+ 869 WATR 113 HOH OT 70 -8.34000000e-01 15.9994 0
+ 870 WATR 113 HOH HT 1 4.17000000e-01 1.00800 0
+ 871 WATR 113 HOH HT 1 4.17000000e-01 1.00800 0
+ 872 WATR 114 HOH OT 70 -8.34000000e-01 15.9994 0
+ 873 WATR 114 HOH HT 1 4.17000000e-01 1.00800 0
+ 874 WATR 114 HOH HT 1 4.17000000e-01 1.00800 0
+ 875 WATR 115 HOH OT 70 -8.34000000e-01 15.9994 0
+ 876 WATR 115 HOH HT 1 4.17000000e-01 1.00800 0
+ 877 WATR 115 HOH HT 1 4.17000000e-01 1.00800 0
+ 878 WATR 116 HOH OT 70 -8.34000000e-01 15.9994 0
+ 879 WATR 116 HOH HT 1 4.17000000e-01 1.00800 0
+ 880 WATR 116 HOH HT 1 4.17000000e-01 1.00800 0
+ 881 WATR 117 HOH OT 70 -8.34000000e-01 15.9994 0
+ 882 WATR 117 HOH HT 1 4.17000000e-01 1.00800 0
+ 883 WATR 117 HOH HT 1 4.17000000e-01 1.00800 0
+ 884 WATR 118 HOH OT 70 -8.34000000e-01 15.9994 0
+ 885 WATR 118 HOH HT 1 4.17000000e-01 1.00800 0
+ 886 WATR 118 HOH HT 1 4.17000000e-01 1.00800 0
+ 887 WATR 119 HOH OT 70 -8.34000000e-01 15.9994 0
+ 888 WATR 119 HOH HT 1 4.17000000e-01 1.00800 0
+ 889 WATR 119 HOH HT 1 4.17000000e-01 1.00800 0
+ 890 WATR 120 HOH OT 70 -8.34000000e-01 15.9994 0
+ 891 WATR 120 HOH HT 1 4.17000000e-01 1.00800 0
+ 892 WATR 120 HOH HT 1 4.17000000e-01 1.00800 0
+ 893 WATR 121 HOH OT 70 -8.34000000e-01 15.9994 0
+ 894 WATR 121 HOH HT 1 4.17000000e-01 1.00800 0
+ 895 WATR 121 HOH HT 1 4.17000000e-01 1.00800 0
+ 896 WATR 122 HOH OT 70 -8.34000000e-01 15.9994 0
+ 897 WATR 122 HOH HT 1 4.17000000e-01 1.00800 0
+ 898 WATR 122 HOH HT 1 4.17000000e-01 1.00800 0
+ 899 WATR 123 HOH OT 70 -8.34000000e-01 15.9994 0
+ 900 WATR 123 HOH HT 1 4.17000000e-01 1.00800 0
+ 901 WATR 123 HOH HT 1 4.17000000e-01 1.00800 0
+ 902 WATR 124 HOH OT 70 -8.34000000e-01 15.9994 0
+ 903 WATR 124 HOH HT 1 4.17000000e-01 1.00800 0
+ 904 WATR 124 HOH HT 1 4.17000000e-01 1.00800 0
+ 905 WATR 125 HOH OT 70 -8.34000000e-01 15.9994 0
+ 906 WATR 125 HOH HT 1 4.17000000e-01 1.00800 0
+ 907 WATR 125 HOH HT 1 4.17000000e-01 1.00800 0
+ 908 WATR 126 HOH OT 70 -8.34000000e-01 15.9994 0
+ 909 WATR 126 HOH HT 1 4.17000000e-01 1.00800 0
+ 910 WATR 126 HOH HT 1 4.17000000e-01 1.00800 0
+ 911 WATR 127 HOH OT 70 -8.34000000e-01 15.9994 0
+ 912 WATR 127 HOH HT 1 4.17000000e-01 1.00800 0
+ 913 WATR 127 HOH HT 1 4.17000000e-01 1.00800 0
+ 914 WATR 128 HOH OT 70 -8.34000000e-01 15.9994 0
+ 915 WATR 128 HOH HT 1 4.17000000e-01 1.00800 0
+ 916 WATR 128 HOH HT 1 4.17000000e-01 1.00800 0
+ 917 WATR 129 HOH OT 70 -8.34000000e-01 15.9994 0
+ 918 WATR 129 HOH HT 1 4.17000000e-01 1.00800 0
+ 919 WATR 129 HOH HT 1 4.17000000e-01 1.00800 0
+ 920 WATR 130 HOH OT 70 -8.34000000e-01 15.9994 0
+ 921 WATR 130 HOH HT 1 4.17000000e-01 1.00800 0
+ 922 WATR 130 HOH HT 1 4.17000000e-01 1.00800 0
+ 923 WATR 131 HOH OT 70 -8.34000000e-01 15.9994 0
+ 924 WATR 131 HOH HT 1 4.17000000e-01 1.00800 0
+ 925 WATR 131 HOH HT 1 4.17000000e-01 1.00800 0
+ 926 WATR 132 HOH OT 70 -8.34000000e-01 15.9994 0
+ 927 WATR 132 HOH HT 1 4.17000000e-01 1.00800 0
+ 928 WATR 132 HOH HT 1 4.17000000e-01 1.00800 0
+ 929 WATR 133 HOH OT 70 -8.34000000e-01 15.9994 0
+ 930 WATR 133 HOH HT 1 4.17000000e-01 1.00800 0
+ 931 WATR 133 HOH HT 1 4.17000000e-01 1.00800 0
+ 932 WATR 134 HOH OT 70 -8.34000000e-01 15.9994 0
+ 933 WATR 134 HOH HT 1 4.17000000e-01 1.00800 0
+ 934 WATR 134 HOH HT 1 4.17000000e-01 1.00800 0
+ 935 WATR 135 HOH OT 70 -8.34000000e-01 15.9994 0
+ 936 WATR 135 HOH HT 1 4.17000000e-01 1.00800 0
+ 937 WATR 135 HOH HT 1 4.17000000e-01 1.00800 0
+ 938 WATR 136 HOH OT 70 -8.34000000e-01 15.9994 0
+ 939 WATR 136 HOH HT 1 4.17000000e-01 1.00800 0
+ 940 WATR 136 HOH HT 1 4.17000000e-01 1.00800 0
+ 941 WATR 137 HOH OT 70 -8.34000000e-01 15.9994 0
+ 942 WATR 137 HOH HT 1 4.17000000e-01 1.00800 0
+ 943 WATR 137 HOH HT 1 4.17000000e-01 1.00800 0
+ 944 WATR 138 HOH OT 70 -8.34000000e-01 15.9994 0
+ 945 WATR 138 HOH HT 1 4.17000000e-01 1.00800 0
+ 946 WATR 138 HOH HT 1 4.17000000e-01 1.00800 0
+ 947 WATR 139 HOH OT 70 -8.34000000e-01 15.9994 0
+ 948 WATR 139 HOH HT 1 4.17000000e-01 1.00800 0
+ 949 WATR 139 HOH HT 1 4.17000000e-01 1.00800 0
+ 950 WATR 140 HOH OT 70 -8.34000000e-01 15.9994 0
+ 951 WATR 140 HOH HT 1 4.17000000e-01 1.00800 0
+ 952 WATR 140 HOH HT 1 4.17000000e-01 1.00800 0
+ 953 WATR 141 HOH OT 70 -8.34000000e-01 15.9994 0
+ 954 WATR 141 HOH HT 1 4.17000000e-01 1.00800 0
+ 955 WATR 141 HOH HT 1 4.17000000e-01 1.00800 0
+ 956 WATR 142 HOH OT 70 -8.34000000e-01 15.9994 0
+ 957 WATR 142 HOH HT 1 4.17000000e-01 1.00800 0
+ 958 WATR 142 HOH HT 1 4.17000000e-01 1.00800 0
+ 959 WATR 143 HOH OT 70 -8.34000000e-01 15.9994 0
+ 960 WATR 143 HOH HT 1 4.17000000e-01 1.00800 0
+ 961 WATR 143 HOH HT 1 4.17000000e-01 1.00800 0
+ 962 WATR 144 HOH OT 70 -8.34000000e-01 15.9994 0
+ 963 WATR 144 HOH HT 1 4.17000000e-01 1.00800 0
+ 964 WATR 144 HOH HT 1 4.17000000e-01 1.00800 0
+ 965 WATR 145 HOH OT 70 -8.34000000e-01 15.9994 0
+ 966 WATR 145 HOH HT 1 4.17000000e-01 1.00800 0
+ 967 WATR 145 HOH HT 1 4.17000000e-01 1.00800 0
+ 968 WATR 146 HOH OT 70 -8.34000000e-01 15.9994 0
+ 969 WATR 146 HOH HT 1 4.17000000e-01 1.00800 0
+ 970 WATR 146 HOH HT 1 4.17000000e-01 1.00800 0
+ 971 WATR 147 HOH OT 70 -8.34000000e-01 15.9994 0
+ 972 WATR 147 HOH HT 1 4.17000000e-01 1.00800 0
+ 973 WATR 147 HOH HT 1 4.17000000e-01 1.00800 0
+ 974 WATR 148 HOH OT 70 -8.34000000e-01 15.9994 0
+ 975 WATR 148 HOH HT 1 4.17000000e-01 1.00800 0
+ 976 WATR 148 HOH HT 1 4.17000000e-01 1.00800 0
+ 977 WATR 149 HOH OT 70 -8.34000000e-01 15.9994 0
+ 978 WATR 149 HOH HT 1 4.17000000e-01 1.00800 0
+ 979 WATR 149 HOH HT 1 4.17000000e-01 1.00800 0
+ 980 WATR 150 HOH OT 70 -8.34000000e-01 15.9994 0
+ 981 WATR 150 HOH HT 1 4.17000000e-01 1.00800 0
+ 982 WATR 150 HOH HT 1 4.17000000e-01 1.00800 0
+ 983 WATR 151 HOH OT 70 -8.34000000e-01 15.9994 0
+ 984 WATR 151 HOH HT 1 4.17000000e-01 1.00800 0
+ 985 WATR 151 HOH HT 1 4.17000000e-01 1.00800 0
+ 986 WATR 152 HOH OT 70 -8.34000000e-01 15.9994 0
+ 987 WATR 152 HOH HT 1 4.17000000e-01 1.00800 0
+ 988 WATR 152 HOH HT 1 4.17000000e-01 1.00800 0
+ 989 WATR 153 HOH OT 70 -8.34000000e-01 15.9994 0
+ 990 WATR 153 HOH HT 1 4.17000000e-01 1.00800 0
+ 991 WATR 153 HOH HT 1 4.17000000e-01 1.00800 0
+ 992 WATR 154 HOH OT 70 -8.34000000e-01 15.9994 0
+ 993 WATR 154 HOH HT 1 4.17000000e-01 1.00800 0
+ 994 WATR 154 HOH HT 1 4.17000000e-01 1.00800 0
+ 995 WATR 155 HOH OT 70 -8.34000000e-01 15.9994 0
+ 996 WATR 155 HOH HT 1 4.17000000e-01 1.00800 0
+ 997 WATR 155 HOH HT 1 4.17000000e-01 1.00800 0
+ 998 WATR 156 HOH OT 70 -8.34000000e-01 15.9994 0
+ 999 WATR 156 HOH HT 1 4.17000000e-01 1.00800 0
+ 1000 WATR 156 HOH HT 1 4.17000000e-01 1.00800 0
+ 1001 WATR 157 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1002 WATR 157 HOH HT 1 4.17000000e-01 1.00800 0
+ 1003 WATR 157 HOH HT 1 4.17000000e-01 1.00800 0
+ 1004 WATR 158 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1005 WATR 158 HOH HT 1 4.17000000e-01 1.00800 0
+ 1006 WATR 158 HOH HT 1 4.17000000e-01 1.00800 0
+ 1007 WATR 159 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1008 WATR 159 HOH HT 1 4.17000000e-01 1.00800 0
+ 1009 WATR 159 HOH HT 1 4.17000000e-01 1.00800 0
+ 1010 SALT 6 ION SOD 90 1.00000000e+00 22.9897 0
+ 1011 WATR 160 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1012 WATR 160 HOH HT 1 4.17000000e-01 1.00800 0
+ 1013 WATR 160 HOH HT 1 4.17000000e-01 1.00800 0
+ 1014 WATR 161 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1015 WATR 161 HOH HT 1 4.17000000e-01 1.00800 0
+ 1016 WATR 161 HOH HT 1 4.17000000e-01 1.00800 0
+ 1017 WATR 162 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1018 WATR 162 HOH HT 1 4.17000000e-01 1.00800 0
+ 1019 WATR 162 HOH HT 1 4.17000000e-01 1.00800 0
+ 1020 WATR 163 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1021 WATR 163 HOH HT 1 4.17000000e-01 1.00800 0
+ 1022 WATR 163 HOH HT 1 4.17000000e-01 1.00800 0
+ 1023 WATR 164 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1024 WATR 164 HOH HT 1 4.17000000e-01 1.00800 0
+ 1025 WATR 164 HOH HT 1 4.17000000e-01 1.00800 0
+ 1026 WATR 165 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1027 WATR 165 HOH HT 1 4.17000000e-01 1.00800 0
+ 1028 WATR 165 HOH HT 1 4.17000000e-01 1.00800 0
+ 1029 WATR 166 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1030 WATR 166 HOH HT 1 4.17000000e-01 1.00800 0
+ 1031 WATR 166 HOH HT 1 4.17000000e-01 1.00800 0
+ 1032 WATR 167 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1033 WATR 167 HOH HT 1 4.17000000e-01 1.00800 0
+ 1034 WATR 167 HOH HT 1 4.17000000e-01 1.00800 0
+ 1035 WATR 168 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1036 WATR 168 HOH HT 1 4.17000000e-01 1.00800 0
+ 1037 WATR 168 HOH HT 1 4.17000000e-01 1.00800 0
+ 1038 WATR 169 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1039 WATR 169 HOH HT 1 4.17000000e-01 1.00800 0
+ 1040 WATR 169 HOH HT 1 4.17000000e-01 1.00800 0
+ 1041 WATR 170 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1042 WATR 170 HOH HT 1 4.17000000e-01 1.00800 0
+ 1043 WATR 170 HOH HT 1 4.17000000e-01 1.00800 0
+ 1044 WATR 171 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1045 WATR 171 HOH HT 1 4.17000000e-01 1.00800 0
+ 1046 WATR 171 HOH HT 1 4.17000000e-01 1.00800 0
+ 1047 WATR 172 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1048 WATR 172 HOH HT 1 4.17000000e-01 1.00800 0
+ 1049 WATR 172 HOH HT 1 4.17000000e-01 1.00800 0
+ 1050 WATR 173 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1051 WATR 173 HOH HT 1 4.17000000e-01 1.00800 0
+ 1052 WATR 173 HOH HT 1 4.17000000e-01 1.00800 0
+ 1053 WATR 174 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1054 WATR 174 HOH HT 1 4.17000000e-01 1.00800 0
+ 1055 WATR 174 HOH HT 1 4.17000000e-01 1.00800 0
+ 1056 WATR 175 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1057 WATR 175 HOH HT 1 4.17000000e-01 1.00800 0
+ 1058 WATR 175 HOH HT 1 4.17000000e-01 1.00800 0
+ 1059 WATR 176 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1060 WATR 176 HOH HT 1 4.17000000e-01 1.00800 0
+ 1061 WATR 176 HOH HT 1 4.17000000e-01 1.00800 0
+ 1062 SALT 7 ION SOD 90 1.00000000e+00 22.9897 0
+ 1063 WATR 177 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1064 WATR 177 HOH HT 1 4.17000000e-01 1.00800 0
+ 1065 WATR 177 HOH HT 1 4.17000000e-01 1.00800 0
+ 1066 WATR 178 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1067 WATR 178 HOH HT 1 4.17000000e-01 1.00800 0
+ 1068 WATR 178 HOH HT 1 4.17000000e-01 1.00800 0
+ 1069 WATR 179 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1070 WATR 179 HOH HT 1 4.17000000e-01 1.00800 0
+ 1071 WATR 179 HOH HT 1 4.17000000e-01 1.00800 0
+ 1072 WATR 180 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1073 WATR 180 HOH HT 1 4.17000000e-01 1.00800 0
+ 1074 WATR 180 HOH HT 1 4.17000000e-01 1.00800 0
+ 1075 WATR 181 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1076 WATR 181 HOH HT 1 4.17000000e-01 1.00800 0
+ 1077 WATR 181 HOH HT 1 4.17000000e-01 1.00800 0
+ 1078 WATR 182 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1079 WATR 182 HOH HT 1 4.17000000e-01 1.00800 0
+ 1080 WATR 182 HOH HT 1 4.17000000e-01 1.00800 0
+ 1081 WATR 183 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1082 WATR 183 HOH HT 1 4.17000000e-01 1.00800 0
+ 1083 WATR 183 HOH HT 1 4.17000000e-01 1.00800 0
+ 1084 WATR 184 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1085 WATR 184 HOH HT 1 4.17000000e-01 1.00800 0
+ 1086 WATR 184 HOH HT 1 4.17000000e-01 1.00800 0
+ 1087 WATR 185 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1088 WATR 185 HOH HT 1 4.17000000e-01 1.00800 0
+ 1089 WATR 185 HOH HT 1 4.17000000e-01 1.00800 0
+ 1090 WATR 186 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1091 WATR 186 HOH HT 1 4.17000000e-01 1.00800 0
+ 1092 WATR 186 HOH HT 1 4.17000000e-01 1.00800 0
+ 1093 WATR 187 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1094 WATR 187 HOH HT 1 4.17000000e-01 1.00800 0
+ 1095 WATR 187 HOH HT 1 4.17000000e-01 1.00800 0
+ 1096 WATR 188 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1097 WATR 188 HOH HT 1 4.17000000e-01 1.00800 0
+ 1098 WATR 188 HOH HT 1 4.17000000e-01 1.00800 0
+ 1099 WATR 189 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1100 WATR 189 HOH HT 1 4.17000000e-01 1.00800 0
+ 1101 WATR 189 HOH HT 1 4.17000000e-01 1.00800 0
+ 1102 WATR 190 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1103 WATR 190 HOH HT 1 4.17000000e-01 1.00800 0
+ 1104 WATR 190 HOH HT 1 4.17000000e-01 1.00800 0
+ 1105 WATR 191 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1106 WATR 191 HOH HT 1 4.17000000e-01 1.00800 0
+ 1107 WATR 191 HOH HT 1 4.17000000e-01 1.00800 0
+ 1108 WATR 192 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1109 WATR 192 HOH HT 1 4.17000000e-01 1.00800 0
+ 1110 WATR 192 HOH HT 1 4.17000000e-01 1.00800 0
+ 1111 WATR 193 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1112 WATR 193 HOH HT 1 4.17000000e-01 1.00800 0
+ 1113 WATR 193 HOH HT 1 4.17000000e-01 1.00800 0
+ 1114 WATR 194 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1115 WATR 194 HOH HT 1 4.17000000e-01 1.00800 0
+ 1116 WATR 194 HOH HT 1 4.17000000e-01 1.00800 0
+ 1117 WATR 195 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1118 WATR 195 HOH HT 1 4.17000000e-01 1.00800 0
+ 1119 WATR 195 HOH HT 1 4.17000000e-01 1.00800 0
+ 1120 WATR 196 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1121 WATR 196 HOH HT 1 4.17000000e-01 1.00800 0
+ 1122 WATR 196 HOH HT 1 4.17000000e-01 1.00800 0
+ 1123 WATR 197 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1124 WATR 197 HOH HT 1 4.17000000e-01 1.00800 0
+ 1125 WATR 197 HOH HT 1 4.17000000e-01 1.00800 0
+ 1126 WATR 198 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1127 WATR 198 HOH HT 1 4.17000000e-01 1.00800 0
+ 1128 WATR 198 HOH HT 1 4.17000000e-01 1.00800 0
+ 1129 WATR 199 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1130 WATR 199 HOH HT 1 4.17000000e-01 1.00800 0
+ 1131 WATR 199 HOH HT 1 4.17000000e-01 1.00800 0
+ 1132 WATR 200 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1133 WATR 200 HOH HT 1 4.17000000e-01 1.00800 0
+ 1134 WATR 200 HOH HT 1 4.17000000e-01 1.00800 0
+ 1135 WATR 201 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1136 WATR 201 HOH HT 1 4.17000000e-01 1.00800 0
+ 1137 WATR 201 HOH HT 1 4.17000000e-01 1.00800 0
+ 1138 WATR 202 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1139 WATR 202 HOH HT 1 4.17000000e-01 1.00800 0
+ 1140 WATR 202 HOH HT 1 4.17000000e-01 1.00800 0
+ 1141 WATR 203 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1142 WATR 203 HOH HT 1 4.17000000e-01 1.00800 0
+ 1143 WATR 203 HOH HT 1 4.17000000e-01 1.00800 0
+ 1144 WATR 204 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1145 WATR 204 HOH HT 1 4.17000000e-01 1.00800 0
+ 1146 WATR 204 HOH HT 1 4.17000000e-01 1.00800 0
+ 1147 WATR 205 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1148 WATR 205 HOH HT 1 4.17000000e-01 1.00800 0
+ 1149 WATR 205 HOH HT 1 4.17000000e-01 1.00800 0
+ 1150 WATR 206 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1151 WATR 206 HOH HT 1 4.17000000e-01 1.00800 0
+ 1152 WATR 206 HOH HT 1 4.17000000e-01 1.00800 0
+ 1153 WATR 207 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1154 WATR 207 HOH HT 1 4.17000000e-01 1.00800 0
+ 1155 WATR 207 HOH HT 1 4.17000000e-01 1.00800 0
+ 1156 WATR 208 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1157 WATR 208 HOH HT 1 4.17000000e-01 1.00800 0
+ 1158 WATR 208 HOH HT 1 4.17000000e-01 1.00800 0
+ 1159 WATR 209 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1160 WATR 209 HOH HT 1 4.17000000e-01 1.00800 0
+ 1161 WATR 209 HOH HT 1 4.17000000e-01 1.00800 0
+ 1162 WATR 210 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1163 WATR 210 HOH HT 1 4.17000000e-01 1.00800 0
+ 1164 WATR 210 HOH HT 1 4.17000000e-01 1.00800 0
+ 1165 WATR 211 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1166 WATR 211 HOH HT 1 4.17000000e-01 1.00800 0
+ 1167 WATR 211 HOH HT 1 4.17000000e-01 1.00800 0
+ 1168 WATR 212 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1169 WATR 212 HOH HT 1 4.17000000e-01 1.00800 0
+ 1170 WATR 212 HOH HT 1 4.17000000e-01 1.00800 0
+ 1171 WATR 213 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1172 WATR 213 HOH HT 1 4.17000000e-01 1.00800 0
+ 1173 WATR 213 HOH HT 1 4.17000000e-01 1.00800 0
+ 1174 WATR 214 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1175 WATR 214 HOH HT 1 4.17000000e-01 1.00800 0
+ 1176 WATR 214 HOH HT 1 4.17000000e-01 1.00800 0
+ 1177 WATR 215 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1178 WATR 215 HOH HT 1 4.17000000e-01 1.00800 0
+ 1179 WATR 215 HOH HT 1 4.17000000e-01 1.00800 0
+ 1180 WATR 216 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1181 WATR 216 HOH HT 1 4.17000000e-01 1.00800 0
+ 1182 WATR 216 HOH HT 1 4.17000000e-01 1.00800 0
+ 1183 WATR 217 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1184 WATR 217 HOH HT 1 4.17000000e-01 1.00800 0
+ 1185 WATR 217 HOH HT 1 4.17000000e-01 1.00800 0
+ 1186 WATR 218 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1187 WATR 218 HOH HT 1 4.17000000e-01 1.00800 0
+ 1188 WATR 218 HOH HT 1 4.17000000e-01 1.00800 0
+ 1189 WATR 219 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1190 WATR 219 HOH HT 1 4.17000000e-01 1.00800 0
+ 1191 WATR 219 HOH HT 1 4.17000000e-01 1.00800 0
+ 1192 WATR 220 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1193 WATR 220 HOH HT 1 4.17000000e-01 1.00800 0
+ 1194 WATR 220 HOH HT 1 4.17000000e-01 1.00800 0
+ 1195 WATR 221 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1196 WATR 221 HOH HT 1 4.17000000e-01 1.00800 0
+ 1197 WATR 221 HOH HT 1 4.17000000e-01 1.00800 0
+ 1198 WATR 222 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1199 WATR 222 HOH HT 1 4.17000000e-01 1.00800 0
+ 1200 WATR 222 HOH HT 1 4.17000000e-01 1.00800 0
+ 1201 WATR 223 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1202 WATR 223 HOH HT 1 4.17000000e-01 1.00800 0
+ 1203 WATR 223 HOH HT 1 4.17000000e-01 1.00800 0
+ 1204 WATR 224 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1205 WATR 224 HOH HT 1 4.17000000e-01 1.00800 0
+ 1206 WATR 224 HOH HT 1 4.17000000e-01 1.00800 0
+ 1207 WATR 225 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1208 WATR 225 HOH HT 1 4.17000000e-01 1.00800 0
+ 1209 WATR 225 HOH HT 1 4.17000000e-01 1.00800 0
+ 1210 WATR 226 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1211 WATR 226 HOH HT 1 4.17000000e-01 1.00800 0
+ 1212 WATR 226 HOH HT 1 4.17000000e-01 1.00800 0
+ 1213 WATR 227 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1214 WATR 227 HOH HT 1 4.17000000e-01 1.00800 0
+ 1215 WATR 227 HOH HT 1 4.17000000e-01 1.00800 0
+ 1216 WATR 228 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1217 WATR 228 HOH HT 1 4.17000000e-01 1.00800 0
+ 1218 WATR 228 HOH HT 1 4.17000000e-01 1.00800 0
+ 1219 WATR 229 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1220 WATR 229 HOH HT 1 4.17000000e-01 1.00800 0
+ 1221 WATR 229 HOH HT 1 4.17000000e-01 1.00800 0
+ 1222 WATR 230 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1223 WATR 230 HOH HT 1 4.17000000e-01 1.00800 0
+ 1224 WATR 230 HOH HT 1 4.17000000e-01 1.00800 0
+ 1225 WATR 231 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1226 WATR 231 HOH HT 1 4.17000000e-01 1.00800 0
+ 1227 WATR 231 HOH HT 1 4.17000000e-01 1.00800 0
+ 1228 WATR 232 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1229 WATR 232 HOH HT 1 4.17000000e-01 1.00800 0
+ 1230 WATR 232 HOH HT 1 4.17000000e-01 1.00800 0
+ 1231 WATR 233 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1232 WATR 233 HOH HT 1 4.17000000e-01 1.00800 0
+ 1233 WATR 233 HOH HT 1 4.17000000e-01 1.00800 0
+ 1234 WATR 234 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1235 WATR 234 HOH HT 1 4.17000000e-01 1.00800 0
+ 1236 WATR 234 HOH HT 1 4.17000000e-01 1.00800 0
+ 1237 WATR 235 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1238 WATR 235 HOH HT 1 4.17000000e-01 1.00800 0
+ 1239 WATR 235 HOH HT 1 4.17000000e-01 1.00800 0
+ 1240 WATR 236 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1241 WATR 236 HOH HT 1 4.17000000e-01 1.00800 0
+ 1242 WATR 236 HOH HT 1 4.17000000e-01 1.00800 0
+ 1243 WATR 237 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1244 WATR 237 HOH HT 1 4.17000000e-01 1.00800 0
+ 1245 WATR 237 HOH HT 1 4.17000000e-01 1.00800 0
+ 1246 WATR 238 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1247 WATR 238 HOH HT 1 4.17000000e-01 1.00800 0
+ 1248 WATR 238 HOH HT 1 4.17000000e-01 1.00800 0
+ 1249 WATR 239 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1250 WATR 239 HOH HT 1 4.17000000e-01 1.00800 0
+ 1251 WATR 239 HOH HT 1 4.17000000e-01 1.00800 0
+ 1252 WATR 240 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1253 WATR 240 HOH HT 1 4.17000000e-01 1.00800 0
+ 1254 WATR 240 HOH HT 1 4.17000000e-01 1.00800 0
+ 1255 WATR 241 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1256 WATR 241 HOH HT 1 4.17000000e-01 1.00800 0
+ 1257 WATR 241 HOH HT 1 4.17000000e-01 1.00800 0
+ 1258 WATR 242 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1259 WATR 242 HOH HT 1 4.17000000e-01 1.00800 0
+ 1260 WATR 242 HOH HT 1 4.17000000e-01 1.00800 0
+ 1261 WATR 243 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1262 WATR 243 HOH HT 1 4.17000000e-01 1.00800 0
+ 1263 WATR 243 HOH HT 1 4.17000000e-01 1.00800 0
+ 1264 SALT 8 ION SOD 90 1.00000000e+00 22.9897 0
+ 1265 WATR 244 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1266 WATR 244 HOH HT 1 4.17000000e-01 1.00800 0
+ 1267 WATR 244 HOH HT 1 4.17000000e-01 1.00800 0
+ 1268 WATR 245 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1269 WATR 245 HOH HT 1 4.17000000e-01 1.00800 0
+ 1270 WATR 245 HOH HT 1 4.17000000e-01 1.00800 0
+ 1271 WATR 246 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1272 WATR 246 HOH HT 1 4.17000000e-01 1.00800 0
+ 1273 WATR 246 HOH HT 1 4.17000000e-01 1.00800 0
+ 1274 WATR 247 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1275 WATR 247 HOH HT 1 4.17000000e-01 1.00800 0
+ 1276 WATR 247 HOH HT 1 4.17000000e-01 1.00800 0
+ 1277 WATR 248 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1278 WATR 248 HOH HT 1 4.17000000e-01 1.00800 0
+ 1279 WATR 248 HOH HT 1 4.17000000e-01 1.00800 0
+ 1280 WATR 249 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1281 WATR 249 HOH HT 1 4.17000000e-01 1.00800 0
+ 1282 WATR 249 HOH HT 1 4.17000000e-01 1.00800 0
+ 1283 WATR 250 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1284 WATR 250 HOH HT 1 4.17000000e-01 1.00800 0
+ 1285 WATR 250 HOH HT 1 4.17000000e-01 1.00800 0
+ 1286 WATR 251 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1287 WATR 251 HOH HT 1 4.17000000e-01 1.00800 0
+ 1288 WATR 251 HOH HT 1 4.17000000e-01 1.00800 0
+ 1289 WATR 252 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1290 WATR 252 HOH HT 1 4.17000000e-01 1.00800 0
+ 1291 WATR 252 HOH HT 1 4.17000000e-01 1.00800 0
+ 1292 WATR 253 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1293 WATR 253 HOH HT 1 4.17000000e-01 1.00800 0
+ 1294 WATR 253 HOH HT 1 4.17000000e-01 1.00800 0
+ 1295 WATR 254 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1296 WATR 254 HOH HT 1 4.17000000e-01 1.00800 0
+ 1297 WATR 254 HOH HT 1 4.17000000e-01 1.00800 0
+ 1298 WATR 255 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1299 WATR 255 HOH HT 1 4.17000000e-01 1.00800 0
+ 1300 WATR 255 HOH HT 1 4.17000000e-01 1.00800 0
+ 1301 WATR 256 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1302 WATR 256 HOH HT 1 4.17000000e-01 1.00800 0
+ 1303 WATR 256 HOH HT 1 4.17000000e-01 1.00800 0
+ 1304 WATR 257 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1305 WATR 257 HOH HT 1 4.17000000e-01 1.00800 0
+ 1306 WATR 257 HOH HT 1 4.17000000e-01 1.00800 0
+ 1307 WATR 258 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1308 WATR 258 HOH HT 1 4.17000000e-01 1.00800 0
+ 1309 WATR 258 HOH HT 1 4.17000000e-01 1.00800 0
+ 1310 WATR 259 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1311 WATR 259 HOH HT 1 4.17000000e-01 1.00800 0
+ 1312 WATR 259 HOH HT 1 4.17000000e-01 1.00800 0
+ 1313 WATR 260 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1314 WATR 260 HOH HT 1 4.17000000e-01 1.00800 0
+ 1315 WATR 260 HOH HT 1 4.17000000e-01 1.00800 0
+ 1316 WATR 261 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1317 WATR 261 HOH HT 1 4.17000000e-01 1.00800 0
+ 1318 WATR 261 HOH HT 1 4.17000000e-01 1.00800 0
+ 1319 WATR 262 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1320 WATR 262 HOH HT 1 4.17000000e-01 1.00800 0
+ 1321 WATR 262 HOH HT 1 4.17000000e-01 1.00800 0
+ 1322 WATR 263 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1323 WATR 263 HOH HT 1 4.17000000e-01 1.00800 0
+ 1324 WATR 263 HOH HT 1 4.17000000e-01 1.00800 0
+ 1325 WATR 264 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1326 WATR 264 HOH HT 1 4.17000000e-01 1.00800 0
+ 1327 WATR 264 HOH HT 1 4.17000000e-01 1.00800 0
+ 1328 WATR 265 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1329 WATR 265 HOH HT 1 4.17000000e-01 1.00800 0
+ 1330 WATR 265 HOH HT 1 4.17000000e-01 1.00800 0
+ 1331 WATR 266 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1332 WATR 266 HOH HT 1 4.17000000e-01 1.00800 0
+ 1333 WATR 266 HOH HT 1 4.17000000e-01 1.00800 0
+ 1334 WATR 267 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1335 WATR 267 HOH HT 1 4.17000000e-01 1.00800 0
+ 1336 WATR 267 HOH HT 1 4.17000000e-01 1.00800 0
+ 1337 WATR 268 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1338 WATR 268 HOH HT 1 4.17000000e-01 1.00800 0
+ 1339 WATR 268 HOH HT 1 4.17000000e-01 1.00800 0
+ 1340 WATR 269 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1341 WATR 269 HOH HT 1 4.17000000e-01 1.00800 0
+ 1342 WATR 269 HOH HT 1 4.17000000e-01 1.00800 0
+ 1343 WATR 270 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1344 WATR 270 HOH HT 1 4.17000000e-01 1.00800 0
+ 1345 WATR 270 HOH HT 1 4.17000000e-01 1.00800 0
+ 1346 WATR 271 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1347 WATR 271 HOH HT 1 4.17000000e-01 1.00800 0
+ 1348 WATR 271 HOH HT 1 4.17000000e-01 1.00800 0
+ 1349 WATR 272 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1350 WATR 272 HOH HT 1 4.17000000e-01 1.00800 0
+ 1351 WATR 272 HOH HT 1 4.17000000e-01 1.00800 0
+ 1352 WATR 273 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1353 WATR 273 HOH HT 1 4.17000000e-01 1.00800 0
+ 1354 WATR 273 HOH HT 1 4.17000000e-01 1.00800 0
+ 1355 WATR 274 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1356 WATR 274 HOH HT 1 4.17000000e-01 1.00800 0
+ 1357 WATR 274 HOH HT 1 4.17000000e-01 1.00800 0
+ 1358 WATR 275 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1359 WATR 275 HOH HT 1 4.17000000e-01 1.00800 0
+ 1360 WATR 275 HOH HT 1 4.17000000e-01 1.00800 0
+ 1361 WATR 276 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1362 WATR 276 HOH HT 1 4.17000000e-01 1.00800 0
+ 1363 WATR 276 HOH HT 1 4.17000000e-01 1.00800 0
+ 1364 WATR 277 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1365 WATR 277 HOH HT 1 4.17000000e-01 1.00800 0
+ 1366 WATR 277 HOH HT 1 4.17000000e-01 1.00800 0
+ 1367 WATR 278 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1368 WATR 278 HOH HT 1 4.17000000e-01 1.00800 0
+ 1369 WATR 278 HOH HT 1 4.17000000e-01 1.00800 0
+ 1370 WATR 279 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1371 WATR 279 HOH HT 1 4.17000000e-01 1.00800 0
+ 1372 WATR 279 HOH HT 1 4.17000000e-01 1.00800 0
+ 1373 WATR 280 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1374 WATR 280 HOH HT 1 4.17000000e-01 1.00800 0
+ 1375 WATR 280 HOH HT 1 4.17000000e-01 1.00800 0
+ 1376 WATR 281 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1377 WATR 281 HOH HT 1 4.17000000e-01 1.00800 0
+ 1378 WATR 281 HOH HT 1 4.17000000e-01 1.00800 0
+ 1379 WATR 282 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1380 WATR 282 HOH HT 1 4.17000000e-01 1.00800 0
+ 1381 WATR 282 HOH HT 1 4.17000000e-01 1.00800 0
+ 1382 WATR 283 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1383 WATR 283 HOH HT 1 4.17000000e-01 1.00800 0
+ 1384 WATR 283 HOH HT 1 4.17000000e-01 1.00800 0
+ 1385 WATR 284 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1386 WATR 284 HOH HT 1 4.17000000e-01 1.00800 0
+ 1387 WATR 284 HOH HT 1 4.17000000e-01 1.00800 0
+ 1388 WATR 285 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1389 WATR 285 HOH HT 1 4.17000000e-01 1.00800 0
+ 1390 WATR 285 HOH HT 1 4.17000000e-01 1.00800 0
+ 1391 WATR 286 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1392 WATR 286 HOH HT 1 4.17000000e-01 1.00800 0
+ 1393 WATR 286 HOH HT 1 4.17000000e-01 1.00800 0
+ 1394 WATR 287 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1395 WATR 287 HOH HT 1 4.17000000e-01 1.00800 0
+ 1396 WATR 287 HOH HT 1 4.17000000e-01 1.00800 0
+ 1397 WATR 288 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1398 WATR 288 HOH HT 1 4.17000000e-01 1.00800 0
+ 1399 WATR 288 HOH HT 1 4.17000000e-01 1.00800 0
+ 1400 WATR 289 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1401 WATR 289 HOH HT 1 4.17000000e-01 1.00800 0
+ 1402 WATR 289 HOH HT 1 4.17000000e-01 1.00800 0
+ 1403 WATR 290 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1404 WATR 290 HOH HT 1 4.17000000e-01 1.00800 0
+ 1405 WATR 290 HOH HT 1 4.17000000e-01 1.00800 0
+ 1406 WATR 291 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1407 WATR 291 HOH HT 1 4.17000000e-01 1.00800 0
+ 1408 WATR 291 HOH HT 1 4.17000000e-01 1.00800 0
+ 1409 WATR 292 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1410 WATR 292 HOH HT 1 4.17000000e-01 1.00800 0
+ 1411 WATR 292 HOH HT 1 4.17000000e-01 1.00800 0
+ 1412 WATR 293 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1413 WATR 293 HOH HT 1 4.17000000e-01 1.00800 0
+ 1414 WATR 293 HOH HT 1 4.17000000e-01 1.00800 0
+ 1415 WATR 294 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1416 WATR 294 HOH HT 1 4.17000000e-01 1.00800 0
+ 1417 WATR 294 HOH HT 1 4.17000000e-01 1.00800 0
+ 1418 WATR 295 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1419 WATR 295 HOH HT 1 4.17000000e-01 1.00800 0
+ 1420 WATR 295 HOH HT 1 4.17000000e-01 1.00800 0
+ 1421 WATR 296 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1422 WATR 296 HOH HT 1 4.17000000e-01 1.00800 0
+ 1423 WATR 296 HOH HT 1 4.17000000e-01 1.00800 0
+ 1424 WATR 297 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1425 WATR 297 HOH HT 1 4.17000000e-01 1.00800 0
+ 1426 WATR 297 HOH HT 1 4.17000000e-01 1.00800 0
+ 1427 WATR 298 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1428 WATR 298 HOH HT 1 4.17000000e-01 1.00800 0
+ 1429 WATR 298 HOH HT 1 4.17000000e-01 1.00800 0
+ 1430 WATR 299 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1431 WATR 299 HOH HT 1 4.17000000e-01 1.00800 0
+ 1432 WATR 299 HOH HT 1 4.17000000e-01 1.00800 0
+ 1433 WATR 300 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1434 WATR 300 HOH HT 1 4.17000000e-01 1.00800 0
+ 1435 WATR 300 HOH HT 1 4.17000000e-01 1.00800 0
+ 1436 WATR 301 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1437 WATR 301 HOH HT 1 4.17000000e-01 1.00800 0
+ 1438 WATR 301 HOH HT 1 4.17000000e-01 1.00800 0
+ 1439 WATR 302 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1440 WATR 302 HOH HT 1 4.17000000e-01 1.00800 0
+ 1441 WATR 302 HOH HT 1 4.17000000e-01 1.00800 0
+ 1442 WATR 303 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1443 WATR 303 HOH HT 1 4.17000000e-01 1.00800 0
+ 1444 WATR 303 HOH HT 1 4.17000000e-01 1.00800 0
+ 1445 WATR 304 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1446 WATR 304 HOH HT 1 4.17000000e-01 1.00800 0
+ 1447 WATR 304 HOH HT 1 4.17000000e-01 1.00800 0
+ 1448 WATR 305 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1449 WATR 305 HOH HT 1 4.17000000e-01 1.00800 0
+ 1450 WATR 305 HOH HT 1 4.17000000e-01 1.00800 0
+ 1451 WATR 306 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1452 WATR 306 HOH HT 1 4.17000000e-01 1.00800 0
+ 1453 WATR 306 HOH HT 1 4.17000000e-01 1.00800 0
+ 1454 WATR 307 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1455 WATR 307 HOH HT 1 4.17000000e-01 1.00800 0
+ 1456 WATR 307 HOH HT 1 4.17000000e-01 1.00800 0
+ 1457 WATR 308 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1458 WATR 308 HOH HT 1 4.17000000e-01 1.00800 0
+ 1459 WATR 308 HOH HT 1 4.17000000e-01 1.00800 0
+ 1460 WATR 309 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1461 WATR 309 HOH HT 1 4.17000000e-01 1.00800 0
+ 1462 WATR 309 HOH HT 1 4.17000000e-01 1.00800 0
+ 1463 WATR 310 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1464 WATR 310 HOH HT 1 4.17000000e-01 1.00800 0
+ 1465 WATR 310 HOH HT 1 4.17000000e-01 1.00800 0
+ 1466 WATR 311 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1467 WATR 311 HOH HT 1 4.17000000e-01 1.00800 0
+ 1468 WATR 311 HOH HT 1 4.17000000e-01 1.00800 0
+ 1469 SALT 9 ION SOD 90 1.00000000e+00 22.9897 0
+ 1470 WATR 312 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1471 WATR 312 HOH HT 1 4.17000000e-01 1.00800 0
+ 1472 WATR 312 HOH HT 1 4.17000000e-01 1.00800 0
+ 1473 WATR 313 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1474 WATR 313 HOH HT 1 4.17000000e-01 1.00800 0
+ 1475 WATR 313 HOH HT 1 4.17000000e-01 1.00800 0
+ 1476 WATR 314 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1477 WATR 314 HOH HT 1 4.17000000e-01 1.00800 0
+ 1478 WATR 314 HOH HT 1 4.17000000e-01 1.00800 0
+ 1479 WATR 315 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1480 WATR 315 HOH HT 1 4.17000000e-01 1.00800 0
+ 1481 WATR 315 HOH HT 1 4.17000000e-01 1.00800 0
+ 1482 WATR 316 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1483 WATR 316 HOH HT 1 4.17000000e-01 1.00800 0
+ 1484 WATR 316 HOH HT 1 4.17000000e-01 1.00800 0
+ 1485 WATR 317 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1486 WATR 317 HOH HT 1 4.17000000e-01 1.00800 0
+ 1487 WATR 317 HOH HT 1 4.17000000e-01 1.00800 0
+ 1488 WATR 318 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1489 WATR 318 HOH HT 1 4.17000000e-01 1.00800 0
+ 1490 WATR 318 HOH HT 1 4.17000000e-01 1.00800 0
+ 1491 WATR 319 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1492 WATR 319 HOH HT 1 4.17000000e-01 1.00800 0
+ 1493 WATR 319 HOH HT 1 4.17000000e-01 1.00800 0
+ 1494 WATR 320 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1495 WATR 320 HOH HT 1 4.17000000e-01 1.00800 0
+ 1496 WATR 320 HOH HT 1 4.17000000e-01 1.00800 0
+ 1497 WATR 321 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1498 WATR 321 HOH HT 1 4.17000000e-01 1.00800 0
+ 1499 WATR 321 HOH HT 1 4.17000000e-01 1.00800 0
+ 1500 WATR 322 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1501 WATR 322 HOH HT 1 4.17000000e-01 1.00800 0
+ 1502 WATR 322 HOH HT 1 4.17000000e-01 1.00800 0
+ 1503 WATR 323 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1504 WATR 323 HOH HT 1 4.17000000e-01 1.00800 0
+ 1505 WATR 323 HOH HT 1 4.17000000e-01 1.00800 0
+ 1506 WATR 324 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1507 WATR 324 HOH HT 1 4.17000000e-01 1.00800 0
+ 1508 WATR 324 HOH HT 1 4.17000000e-01 1.00800 0
+ 1509 WATR 325 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1510 WATR 325 HOH HT 1 4.17000000e-01 1.00800 0
+ 1511 WATR 325 HOH HT 1 4.17000000e-01 1.00800 0
+ 1512 WATR 326 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1513 WATR 326 HOH HT 1 4.17000000e-01 1.00800 0
+ 1514 WATR 326 HOH HT 1 4.17000000e-01 1.00800 0
+ 1515 WATR 327 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1516 WATR 327 HOH HT 1 4.17000000e-01 1.00800 0
+ 1517 WATR 327 HOH HT 1 4.17000000e-01 1.00800 0
+ 1518 WATR 328 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1519 WATR 328 HOH HT 1 4.17000000e-01 1.00800 0
+ 1520 WATR 328 HOH HT 1 4.17000000e-01 1.00800 0
+ 1521 WATR 329 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1522 WATR 329 HOH HT 1 4.17000000e-01 1.00800 0
+ 1523 WATR 329 HOH HT 1 4.17000000e-01 1.00800 0
+ 1524 WATR 330 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1525 WATR 330 HOH HT 1 4.17000000e-01 1.00800 0
+ 1526 WATR 330 HOH HT 1 4.17000000e-01 1.00800 0
+ 1527 WATR 331 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1528 WATR 331 HOH HT 1 4.17000000e-01 1.00800 0
+ 1529 WATR 331 HOH HT 1 4.17000000e-01 1.00800 0
+ 1530 WATR 332 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1531 WATR 332 HOH HT 1 4.17000000e-01 1.00800 0
+ 1532 WATR 332 HOH HT 1 4.17000000e-01 1.00800 0
+ 1533 WATR 333 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1534 WATR 333 HOH HT 1 4.17000000e-01 1.00800 0
+ 1535 WATR 333 HOH HT 1 4.17000000e-01 1.00800 0
+ 1536 WATR 334 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1537 WATR 334 HOH HT 1 4.17000000e-01 1.00800 0
+ 1538 WATR 334 HOH HT 1 4.17000000e-01 1.00800 0
+ 1539 WATR 335 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1540 WATR 335 HOH HT 1 4.17000000e-01 1.00800 0
+ 1541 WATR 335 HOH HT 1 4.17000000e-01 1.00800 0
+ 1542 WATR 336 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1543 WATR 336 HOH HT 1 4.17000000e-01 1.00800 0
+ 1544 WATR 336 HOH HT 1 4.17000000e-01 1.00800 0
+ 1545 WATR 337 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1546 WATR 337 HOH HT 1 4.17000000e-01 1.00800 0
+ 1547 WATR 337 HOH HT 1 4.17000000e-01 1.00800 0
+ 1548 WATR 338 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1549 WATR 338 HOH HT 1 4.17000000e-01 1.00800 0
+ 1550 WATR 338 HOH HT 1 4.17000000e-01 1.00800 0
+ 1551 WATR 339 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1552 WATR 339 HOH HT 1 4.17000000e-01 1.00800 0
+ 1553 WATR 339 HOH HT 1 4.17000000e-01 1.00800 0
+ 1554 WATR 340 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1555 WATR 340 HOH HT 1 4.17000000e-01 1.00800 0
+ 1556 WATR 340 HOH HT 1 4.17000000e-01 1.00800 0
+ 1557 WATR 341 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1558 WATR 341 HOH HT 1 4.17000000e-01 1.00800 0
+ 1559 WATR 341 HOH HT 1 4.17000000e-01 1.00800 0
+ 1560 WATR 342 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1561 WATR 342 HOH HT 1 4.17000000e-01 1.00800 0
+ 1562 WATR 342 HOH HT 1 4.17000000e-01 1.00800 0
+ 1563 WATR 343 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1564 WATR 343 HOH HT 1 4.17000000e-01 1.00800 0
+ 1565 WATR 343 HOH HT 1 4.17000000e-01 1.00800 0
+ 1566 WATR 344 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1567 WATR 344 HOH HT 1 4.17000000e-01 1.00800 0
+ 1568 WATR 344 HOH HT 1 4.17000000e-01 1.00800 0
+ 1569 WATR 345 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1570 WATR 345 HOH HT 1 4.17000000e-01 1.00800 0
+ 1571 WATR 345 HOH HT 1 4.17000000e-01 1.00800 0
+ 1572 WATR 346 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1573 WATR 346 HOH HT 1 4.17000000e-01 1.00800 0
+ 1574 WATR 346 HOH HT 1 4.17000000e-01 1.00800 0
+ 1575 WATR 347 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1576 WATR 347 HOH HT 1 4.17000000e-01 1.00800 0
+ 1577 WATR 347 HOH HT 1 4.17000000e-01 1.00800 0
+ 1578 WATR 348 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1579 WATR 348 HOH HT 1 4.17000000e-01 1.00800 0
+ 1580 WATR 348 HOH HT 1 4.17000000e-01 1.00800 0
+ 1581 WATR 349 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1582 WATR 349 HOH HT 1 4.17000000e-01 1.00800 0
+ 1583 WATR 349 HOH HT 1 4.17000000e-01 1.00800 0
+ 1584 WATR 350 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1585 WATR 350 HOH HT 1 4.17000000e-01 1.00800 0
+ 1586 WATR 350 HOH HT 1 4.17000000e-01 1.00800 0
+ 1587 WATR 351 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1588 WATR 351 HOH HT 1 4.17000000e-01 1.00800 0
+ 1589 WATR 351 HOH HT 1 4.17000000e-01 1.00800 0
+ 1590 WATR 352 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1591 WATR 352 HOH HT 1 4.17000000e-01 1.00800 0
+ 1592 WATR 352 HOH HT 1 4.17000000e-01 1.00800 0
+ 1593 WATR 353 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1594 WATR 353 HOH HT 1 4.17000000e-01 1.00800 0
+ 1595 WATR 353 HOH HT 1 4.17000000e-01 1.00800 0
+ 1596 WATR 354 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1597 WATR 354 HOH HT 1 4.17000000e-01 1.00800 0
+ 1598 WATR 354 HOH HT 1 4.17000000e-01 1.00800 0
+ 1599 WATR 355 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1600 WATR 355 HOH HT 1 4.17000000e-01 1.00800 0
+ 1601 WATR 355 HOH HT 1 4.17000000e-01 1.00800 0
+ 1602 WATR 356 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1603 WATR 356 HOH HT 1 4.17000000e-01 1.00800 0
+ 1604 WATR 356 HOH HT 1 4.17000000e-01 1.00800 0
+ 1605 WATR 357 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1606 WATR 357 HOH HT 1 4.17000000e-01 1.00800 0
+ 1607 WATR 357 HOH HT 1 4.17000000e-01 1.00800 0
+ 1608 WATR 358 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1609 WATR 358 HOH HT 1 4.17000000e-01 1.00800 0
+ 1610 WATR 358 HOH HT 1 4.17000000e-01 1.00800 0
+ 1611 WATR 359 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1612 WATR 359 HOH HT 1 4.17000000e-01 1.00800 0
+ 1613 WATR 359 HOH HT 1 4.17000000e-01 1.00800 0
+ 1614 WATR 360 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1615 WATR 360 HOH HT 1 4.17000000e-01 1.00800 0
+ 1616 WATR 360 HOH HT 1 4.17000000e-01 1.00800 0
+ 1617 WATR 361 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1618 WATR 361 HOH HT 1 4.17000000e-01 1.00800 0
+ 1619 WATR 361 HOH HT 1 4.17000000e-01 1.00800 0
+ 1620 WATR 362 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1621 WATR 362 HOH HT 1 4.17000000e-01 1.00800 0
+ 1622 WATR 362 HOH HT 1 4.17000000e-01 1.00800 0
+ 1623 WATR 363 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1624 WATR 363 HOH HT 1 4.17000000e-01 1.00800 0
+ 1625 WATR 363 HOH HT 1 4.17000000e-01 1.00800 0
+ 1626 WATR 364 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1627 WATR 364 HOH HT 1 4.17000000e-01 1.00800 0
+ 1628 WATR 364 HOH HT 1 4.17000000e-01 1.00800 0
+ 1629 WATR 365 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1630 WATR 365 HOH HT 1 4.17000000e-01 1.00800 0
+ 1631 WATR 365 HOH HT 1 4.17000000e-01 1.00800 0
+ 1632 WATR 366 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1633 WATR 366 HOH HT 1 4.17000000e-01 1.00800 0
+ 1634 WATR 366 HOH HT 1 4.17000000e-01 1.00800 0
+ 1635 WATR 367 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1636 WATR 367 HOH HT 1 4.17000000e-01 1.00800 0
+ 1637 WATR 367 HOH HT 1 4.17000000e-01 1.00800 0
+ 1638 WATR 368 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1639 WATR 368 HOH HT 1 4.17000000e-01 1.00800 0
+ 1640 WATR 368 HOH HT 1 4.17000000e-01 1.00800 0
+ 1641 WATR 369 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1642 WATR 369 HOH HT 1 4.17000000e-01 1.00800 0
+ 1643 WATR 369 HOH HT 1 4.17000000e-01 1.00800 0
+ 1644 WATR 370 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1645 WATR 370 HOH HT 1 4.17000000e-01 1.00800 0
+ 1646 WATR 370 HOH HT 1 4.17000000e-01 1.00800 0
+ 1647 WATR 371 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1648 WATR 371 HOH HT 1 4.17000000e-01 1.00800 0
+ 1649 WATR 371 HOH HT 1 4.17000000e-01 1.00800 0
+ 1650 WATR 372 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1651 WATR 372 HOH HT 1 4.17000000e-01 1.00800 0
+ 1652 WATR 372 HOH HT 1 4.17000000e-01 1.00800 0
+ 1653 WATR 373 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1654 WATR 373 HOH HT 1 4.17000000e-01 1.00800 0
+ 1655 WATR 373 HOH HT 1 4.17000000e-01 1.00800 0
+ 1656 WATR 374 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1657 WATR 374 HOH HT 1 4.17000000e-01 1.00800 0
+ 1658 WATR 374 HOH HT 1 4.17000000e-01 1.00800 0
+ 1659 WATR 375 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1660 WATR 375 HOH HT 1 4.17000000e-01 1.00800 0
+ 1661 WATR 375 HOH HT 1 4.17000000e-01 1.00800 0
+ 1662 WATR 376 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1663 WATR 376 HOH HT 1 4.17000000e-01 1.00800 0
+ 1664 WATR 376 HOH HT 1 4.17000000e-01 1.00800 0
+ 1665 WATR 377 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1666 WATR 377 HOH HT 1 4.17000000e-01 1.00800 0
+ 1667 WATR 377 HOH HT 1 4.17000000e-01 1.00800 0
+ 1668 WATR 378 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1669 WATR 378 HOH HT 1 4.17000000e-01 1.00800 0
+ 1670 WATR 378 HOH HT 1 4.17000000e-01 1.00800 0
+ 1671 WATR 379 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1672 WATR 379 HOH HT 1 4.17000000e-01 1.00800 0
+ 1673 WATR 379 HOH HT 1 4.17000000e-01 1.00800 0
+ 1674 WATR 380 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1675 WATR 380 HOH HT 1 4.17000000e-01 1.00800 0
+ 1676 WATR 380 HOH HT 1 4.17000000e-01 1.00800 0
+ 1677 WATR 381 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1678 WATR 381 HOH HT 1 4.17000000e-01 1.00800 0
+ 1679 WATR 381 HOH HT 1 4.17000000e-01 1.00800 0
+ 1680 WATR 382 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1681 WATR 382 HOH HT 1 4.17000000e-01 1.00800 0
+ 1682 WATR 382 HOH HT 1 4.17000000e-01 1.00800 0
+ 1683 WATR 383 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1684 WATR 383 HOH HT 1 4.17000000e-01 1.00800 0
+ 1685 WATR 383 HOH HT 1 4.17000000e-01 1.00800 0
+ 1686 WATR 384 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1687 WATR 384 HOH HT 1 4.17000000e-01 1.00800 0
+ 1688 WATR 384 HOH HT 1 4.17000000e-01 1.00800 0
+ 1689 WATR 385 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1690 WATR 385 HOH HT 1 4.17000000e-01 1.00800 0
+ 1691 WATR 385 HOH HT 1 4.17000000e-01 1.00800 0
+ 1692 WATR 386 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1693 WATR 386 HOH HT 1 4.17000000e-01 1.00800 0
+ 1694 WATR 386 HOH HT 1 4.17000000e-01 1.00800 0
+ 1695 WATR 387 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1696 WATR 387 HOH HT 1 4.17000000e-01 1.00800 0
+ 1697 WATR 387 HOH HT 1 4.17000000e-01 1.00800 0
+ 1698 WATR 388 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1699 WATR 388 HOH HT 1 4.17000000e-01 1.00800 0
+ 1700 WATR 388 HOH HT 1 4.17000000e-01 1.00800 0
+ 1701 WATR 389 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1702 WATR 389 HOH HT 1 4.17000000e-01 1.00800 0
+ 1703 WATR 389 HOH HT 1 4.17000000e-01 1.00800 0
+ 1704 WATR 390 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1705 WATR 390 HOH HT 1 4.17000000e-01 1.00800 0
+ 1706 WATR 390 HOH HT 1 4.17000000e-01 1.00800 0
+ 1707 WATR 391 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1708 WATR 391 HOH HT 1 4.17000000e-01 1.00800 0
+ 1709 WATR 391 HOH HT 1 4.17000000e-01 1.00800 0
+ 1710 WATR 392 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1711 WATR 392 HOH HT 1 4.17000000e-01 1.00800 0
+ 1712 WATR 392 HOH HT 1 4.17000000e-01 1.00800 0
+ 1713 WATR 393 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1714 WATR 393 HOH HT 1 4.17000000e-01 1.00800 0
+ 1715 WATR 393 HOH HT 1 4.17000000e-01 1.00800 0
+ 1716 WATR 394 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1717 WATR 394 HOH HT 1 4.17000000e-01 1.00800 0
+ 1718 WATR 394 HOH HT 1 4.17000000e-01 1.00800 0
+ 1719 WATR 395 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1720 WATR 395 HOH HT 1 4.17000000e-01 1.00800 0
+ 1721 WATR 395 HOH HT 1 4.17000000e-01 1.00800 0
+ 1722 SALT 10 ION SOD 90 1.00000000e+00 22.9897 0
+ 1723 WATR 396 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1724 WATR 396 HOH HT 1 4.17000000e-01 1.00800 0
+ 1725 WATR 396 HOH HT 1 4.17000000e-01 1.00800 0
+ 1726 WATR 397 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1727 WATR 397 HOH HT 1 4.17000000e-01 1.00800 0
+ 1728 WATR 397 HOH HT 1 4.17000000e-01 1.00800 0
+ 1729 WATR 398 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1730 WATR 398 HOH HT 1 4.17000000e-01 1.00800 0
+ 1731 WATR 398 HOH HT 1 4.17000000e-01 1.00800 0
+ 1732 WATR 399 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1733 WATR 399 HOH HT 1 4.17000000e-01 1.00800 0
+ 1734 WATR 399 HOH HT 1 4.17000000e-01 1.00800 0
+ 1735 WATR 400 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1736 WATR 400 HOH HT 1 4.17000000e-01 1.00800 0
+ 1737 WATR 400 HOH HT 1 4.17000000e-01 1.00800 0
+ 1738 WATR 401 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1739 WATR 401 HOH HT 1 4.17000000e-01 1.00800 0
+ 1740 WATR 401 HOH HT 1 4.17000000e-01 1.00800 0
+ 1741 WATR 402 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1742 WATR 402 HOH HT 1 4.17000000e-01 1.00800 0
+ 1743 WATR 402 HOH HT 1 4.17000000e-01 1.00800 0
+ 1744 WATR 403 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1745 WATR 403 HOH HT 1 4.17000000e-01 1.00800 0
+ 1746 WATR 403 HOH HT 1 4.17000000e-01 1.00800 0
+ 1747 WATR 404 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1748 WATR 404 HOH HT 1 4.17000000e-01 1.00800 0
+ 1749 WATR 404 HOH HT 1 4.17000000e-01 1.00800 0
+ 1750 WATR 405 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1751 WATR 405 HOH HT 1 4.17000000e-01 1.00800 0
+ 1752 WATR 405 HOH HT 1 4.17000000e-01 1.00800 0
+ 1753 WATR 406 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1754 WATR 406 HOH HT 1 4.17000000e-01 1.00800 0
+ 1755 WATR 406 HOH HT 1 4.17000000e-01 1.00800 0
+ 1756 WATR 407 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1757 WATR 407 HOH HT 1 4.17000000e-01 1.00800 0
+ 1758 WATR 407 HOH HT 1 4.17000000e-01 1.00800 0
+ 1759 WATR 408 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1760 WATR 408 HOH HT 1 4.17000000e-01 1.00800 0
+ 1761 WATR 408 HOH HT 1 4.17000000e-01 1.00800 0
+ 1762 WATR 409 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1763 WATR 409 HOH HT 1 4.17000000e-01 1.00800 0
+ 1764 WATR 409 HOH HT 1 4.17000000e-01 1.00800 0
+ 1765 WATR 410 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1766 WATR 410 HOH HT 1 4.17000000e-01 1.00800 0
+ 1767 WATR 410 HOH HT 1 4.17000000e-01 1.00800 0
+ 1768 WATR 411 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1769 WATR 411 HOH HT 1 4.17000000e-01 1.00800 0
+ 1770 WATR 411 HOH HT 1 4.17000000e-01 1.00800 0
+ 1771 WATR 412 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1772 WATR 412 HOH HT 1 4.17000000e-01 1.00800 0
+ 1773 WATR 412 HOH HT 1 4.17000000e-01 1.00800 0
+ 1774 WATR 413 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1775 WATR 413 HOH HT 1 4.17000000e-01 1.00800 0
+ 1776 WATR 413 HOH HT 1 4.17000000e-01 1.00800 0
+ 1777 WATR 414 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1778 WATR 414 HOH HT 1 4.17000000e-01 1.00800 0
+ 1779 WATR 414 HOH HT 1 4.17000000e-01 1.00800 0
+ 1780 WATR 415 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1781 WATR 415 HOH HT 1 4.17000000e-01 1.00800 0
+ 1782 WATR 415 HOH HT 1 4.17000000e-01 1.00800 0
+ 1783 SALT 11 ION SOD 90 1.00000000e+00 22.9897 0
+ 1784 WATR 416 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1785 WATR 416 HOH HT 1 4.17000000e-01 1.00800 0
+ 1786 WATR 416 HOH HT 1 4.17000000e-01 1.00800 0
+ 1787 WATR 417 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1788 WATR 417 HOH HT 1 4.17000000e-01 1.00800 0
+ 1789 WATR 417 HOH HT 1 4.17000000e-01 1.00800 0
+ 1790 WATR 418 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1791 WATR 418 HOH HT 1 4.17000000e-01 1.00800 0
+ 1792 WATR 418 HOH HT 1 4.17000000e-01 1.00800 0
+ 1793 WATR 419 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1794 WATR 419 HOH HT 1 4.17000000e-01 1.00800 0
+ 1795 WATR 419 HOH HT 1 4.17000000e-01 1.00800 0
+ 1796 WATR 420 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1797 WATR 420 HOH HT 1 4.17000000e-01 1.00800 0
+ 1798 WATR 420 HOH HT 1 4.17000000e-01 1.00800 0
+ 1799 WATR 421 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1800 WATR 421 HOH HT 1 4.17000000e-01 1.00800 0
+ 1801 WATR 421 HOH HT 1 4.17000000e-01 1.00800 0
+ 1802 WATR 422 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1803 WATR 422 HOH HT 1 4.17000000e-01 1.00800 0
+ 1804 WATR 422 HOH HT 1 4.17000000e-01 1.00800 0
+ 1805 WATR 423 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1806 WATR 423 HOH HT 1 4.17000000e-01 1.00800 0
+ 1807 WATR 423 HOH HT 1 4.17000000e-01 1.00800 0
+ 1808 WATR 424 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1809 WATR 424 HOH HT 1 4.17000000e-01 1.00800 0
+ 1810 WATR 424 HOH HT 1 4.17000000e-01 1.00800 0
+ 1811 SALT 12 ION SOD 90 1.00000000e+00 22.9897 0
+ 1812 WATR 425 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1813 WATR 425 HOH HT 1 4.17000000e-01 1.00800 0
+ 1814 WATR 425 HOH HT 1 4.17000000e-01 1.00800 0
+ 1815 WATR 426 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1816 WATR 426 HOH HT 1 4.17000000e-01 1.00800 0
+ 1817 WATR 426 HOH HT 1 4.17000000e-01 1.00800 0
+ 1818 WATR 427 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1819 WATR 427 HOH HT 1 4.17000000e-01 1.00800 0
+ 1820 WATR 427 HOH HT 1 4.17000000e-01 1.00800 0
+ 1821 WATR 428 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1822 WATR 428 HOH HT 1 4.17000000e-01 1.00800 0
+ 1823 WATR 428 HOH HT 1 4.17000000e-01 1.00800 0
+ 1824 WATR 429 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1825 WATR 429 HOH HT 1 4.17000000e-01 1.00800 0
+ 1826 WATR 429 HOH HT 1 4.17000000e-01 1.00800 0
+ 1827 WATR 430 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1828 WATR 430 HOH HT 1 4.17000000e-01 1.00800 0
+ 1829 WATR 430 HOH HT 1 4.17000000e-01 1.00800 0
+ 1830 WATR 431 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1831 WATR 431 HOH HT 1 4.17000000e-01 1.00800 0
+ 1832 WATR 431 HOH HT 1 4.17000000e-01 1.00800 0
+ 1833 WATR 432 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1834 WATR 432 HOH HT 1 4.17000000e-01 1.00800 0
+ 1835 WATR 432 HOH HT 1 4.17000000e-01 1.00800 0
+ 1836 WATR 433 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1837 WATR 433 HOH HT 1 4.17000000e-01 1.00800 0
+ 1838 WATR 433 HOH HT 1 4.17000000e-01 1.00800 0
+ 1839 WATR 434 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1840 WATR 434 HOH HT 1 4.17000000e-01 1.00800 0
+ 1841 WATR 434 HOH HT 1 4.17000000e-01 1.00800 0
+ 1842 WATR 435 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1843 WATR 435 HOH HT 1 4.17000000e-01 1.00800 0
+ 1844 WATR 435 HOH HT 1 4.17000000e-01 1.00800 0
+ 1845 SALT 13 ION SOD 90 1.00000000e+00 22.9897 0
+ 1846 WATR 436 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1847 WATR 436 HOH HT 1 4.17000000e-01 1.00800 0
+ 1848 WATR 436 HOH HT 1 4.17000000e-01 1.00800 0
+ 1849 WATR 437 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1850 WATR 437 HOH HT 1 4.17000000e-01 1.00800 0
+ 1851 WATR 437 HOH HT 1 4.17000000e-01 1.00800 0
+ 1852 WATR 438 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1853 WATR 438 HOH HT 1 4.17000000e-01 1.00800 0
+ 1854 WATR 438 HOH HT 1 4.17000000e-01 1.00800 0
+ 1855 WATR 439 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1856 WATR 439 HOH HT 1 4.17000000e-01 1.00800 0
+ 1857 WATR 439 HOH HT 1 4.17000000e-01 1.00800 0
+ 1858 WATR 440 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1859 WATR 440 HOH HT 1 4.17000000e-01 1.00800 0
+ 1860 WATR 440 HOH HT 1 4.17000000e-01 1.00800 0
+ 1861 WATR 441 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1862 WATR 441 HOH HT 1 4.17000000e-01 1.00800 0
+ 1863 WATR 441 HOH HT 1 4.17000000e-01 1.00800 0
+ 1864 WATR 442 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1865 WATR 442 HOH HT 1 4.17000000e-01 1.00800 0
+ 1866 WATR 442 HOH HT 1 4.17000000e-01 1.00800 0
+ 1867 WATR 443 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1868 WATR 443 HOH HT 1 4.17000000e-01 1.00800 0
+ 1869 WATR 443 HOH HT 1 4.17000000e-01 1.00800 0
+ 1870 WATR 444 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1871 WATR 444 HOH HT 1 4.17000000e-01 1.00800 0
+ 1872 WATR 444 HOH HT 1 4.17000000e-01 1.00800 0
+ 1873 WATR 445 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1874 WATR 445 HOH HT 1 4.17000000e-01 1.00800 0
+ 1875 WATR 445 HOH HT 1 4.17000000e-01 1.00800 0
+ 1876 WATR 446 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1877 WATR 446 HOH HT 1 4.17000000e-01 1.00800 0
+ 1878 WATR 446 HOH HT 1 4.17000000e-01 1.00800 0
+ 1879 WATR 447 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1880 WATR 447 HOH HT 1 4.17000000e-01 1.00800 0
+ 1881 WATR 447 HOH HT 1 4.17000000e-01 1.00800 0
+ 1882 WATR 448 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1883 WATR 448 HOH HT 1 4.17000000e-01 1.00800 0
+ 1884 WATR 448 HOH HT 1 4.17000000e-01 1.00800 0
+ 1885 WATR 449 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1886 WATR 449 HOH HT 1 4.17000000e-01 1.00800 0
+ 1887 WATR 449 HOH HT 1 4.17000000e-01 1.00800 0
+ 1888 WATR 450 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1889 WATR 450 HOH HT 1 4.17000000e-01 1.00800 0
+ 1890 WATR 450 HOH HT 1 4.17000000e-01 1.00800 0
+ 1891 WATR 451 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1892 WATR 451 HOH HT 1 4.17000000e-01 1.00800 0
+ 1893 WATR 451 HOH HT 1 4.17000000e-01 1.00800 0
+ 1894 WATR 452 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1895 WATR 452 HOH HT 1 4.17000000e-01 1.00800 0
+ 1896 WATR 452 HOH HT 1 4.17000000e-01 1.00800 0
+ 1897 WATR 453 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1898 WATR 453 HOH HT 1 4.17000000e-01 1.00800 0
+ 1899 WATR 453 HOH HT 1 4.17000000e-01 1.00800 0
+ 1900 WATR 454 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1901 WATR 454 HOH HT 1 4.17000000e-01 1.00800 0
+ 1902 WATR 454 HOH HT 1 4.17000000e-01 1.00800 0
+ 1903 WATR 455 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1904 WATR 455 HOH HT 1 4.17000000e-01 1.00800 0
+ 1905 WATR 455 HOH HT 1 4.17000000e-01 1.00800 0
+ 1906 WATR 456 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1907 WATR 456 HOH HT 1 4.17000000e-01 1.00800 0
+ 1908 WATR 456 HOH HT 1 4.17000000e-01 1.00800 0
+ 1909 WATR 457 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1910 WATR 457 HOH HT 1 4.17000000e-01 1.00800 0
+ 1911 WATR 457 HOH HT 1 4.17000000e-01 1.00800 0
+ 1912 WATR 458 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1913 WATR 458 HOH HT 1 4.17000000e-01 1.00800 0
+ 1914 WATR 458 HOH HT 1 4.17000000e-01 1.00800 0
+ 1915 SALT 14 ION SOD 90 1.00000000e+00 22.9897 0
+ 1916 WATR 459 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1917 WATR 459 HOH HT 1 4.17000000e-01 1.00800 0
+ 1918 WATR 459 HOH HT 1 4.17000000e-01 1.00800 0
+ 1919 WATR 460 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1920 WATR 460 HOH HT 1 4.17000000e-01 1.00800 0
+ 1921 WATR 460 HOH HT 1 4.17000000e-01 1.00800 0
+ 1922 WATR 461 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1923 WATR 461 HOH HT 1 4.17000000e-01 1.00800 0
+ 1924 WATR 461 HOH HT 1 4.17000000e-01 1.00800 0
+ 1925 WATR 462 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1926 WATR 462 HOH HT 1 4.17000000e-01 1.00800 0
+ 1927 WATR 462 HOH HT 1 4.17000000e-01 1.00800 0
+ 1928 WATR 463 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1929 WATR 463 HOH HT 1 4.17000000e-01 1.00800 0
+ 1930 WATR 463 HOH HT 1 4.17000000e-01 1.00800 0
+ 1931 WATR 464 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1932 WATR 464 HOH HT 1 4.17000000e-01 1.00800 0
+ 1933 WATR 464 HOH HT 1 4.17000000e-01 1.00800 0
+ 1934 SALT 15 ION SOD 90 1.00000000e+00 22.9897 0
+ 1935 WATR 465 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1936 WATR 465 HOH HT 1 4.17000000e-01 1.00800 0
+ 1937 WATR 465 HOH HT 1 4.17000000e-01 1.00800 0
+ 1938 WATR 466 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1939 WATR 466 HOH HT 1 4.17000000e-01 1.00800 0
+ 1940 WATR 466 HOH HT 1 4.17000000e-01 1.00800 0
+ 1941 WATR 467 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1942 WATR 467 HOH HT 1 4.17000000e-01 1.00800 0
+ 1943 WATR 467 HOH HT 1 4.17000000e-01 1.00800 0
+ 1944 WATR 468 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1945 WATR 468 HOH HT 1 4.17000000e-01 1.00800 0
+ 1946 WATR 468 HOH HT 1 4.17000000e-01 1.00800 0
+ 1947 WATR 469 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1948 WATR 469 HOH HT 1 4.17000000e-01 1.00800 0
+ 1949 WATR 469 HOH HT 1 4.17000000e-01 1.00800 0
+ 1950 WATR 470 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1951 WATR 470 HOH HT 1 4.17000000e-01 1.00800 0
+ 1952 WATR 470 HOH HT 1 4.17000000e-01 1.00800 0
+ 1953 WATR 471 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1954 WATR 471 HOH HT 1 4.17000000e-01 1.00800 0
+ 1955 WATR 471 HOH HT 1 4.17000000e-01 1.00800 0
+ 1956 WATR 472 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1957 WATR 472 HOH HT 1 4.17000000e-01 1.00800 0
+ 1958 WATR 472 HOH HT 1 4.17000000e-01 1.00800 0
+ 1959 WATR 473 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1960 WATR 473 HOH HT 1 4.17000000e-01 1.00800 0
+ 1961 WATR 473 HOH HT 1 4.17000000e-01 1.00800 0
+ 1962 WATR 474 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1963 WATR 474 HOH HT 1 4.17000000e-01 1.00800 0
+ 1964 WATR 474 HOH HT 1 4.17000000e-01 1.00800 0
+ 1965 SALT 16 ION SOD 90 1.00000000e+00 22.9897 0
+ 1966 WATR 475 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1967 WATR 475 HOH HT 1 4.17000000e-01 1.00800 0
+ 1968 WATR 475 HOH HT 1 4.17000000e-01 1.00800 0
+
+ 1516 !NBOND: bonds
+ 1 2 1 3 1 4 4 5
+ 5 8 5 6 5 7 8 10
+ 8 31 8 9 10 11 11 13
+ 11 27 11 12 13 22 13 16
+ 14 15 15 16 16 17 18 23
+ 19 18 19 20 19 21 22 21
+ 22 14 23 24 23 14 24 25
+ 24 26 27 31 27 29 27 28
+ 29 30 31 33 31 32 33 34
+ 34 35 34 36 34 37 37 38
+ 38 41 38 39 38 40 41 43
+ 41 64 41 42 43 44 44 46
+ 44 60 44 45 46 49 46 47
+ 47 48 49 51 49 50 51 52
+ 51 53 53 55 53 54 55 56
+ 55 47 56 57 56 58 56 59
+ 60 64 60 62 60 61 62 63
+ 64 66 64 65 66 67 67 68
+ 67 69 67 70 70 71 71 74
+ 71 72 71 73 74 76 74 95
+ 74 75 76 77 77 79 77 91
+ 77 78 79 84 79 80 80 81
+ 82 83 82 80 84 86 84 85
+ 86 87 87 88 87 82 88 89
+ 88 90 91 95 91 93 91 92
+ 93 94 95 97 95 96 97 98
+ 98 99 98 100 98 101 101 102
+ 102 105 102 103 102 104 105 107
+ 105 126 105 106 107 108 108 110
+ 108 122 108 109 110 115 110 111
+ 111 112 113 114 113 111 115 117
+ 115 116 117 118 118 119 118 113
+ 119 120 119 121 122 126 122 124
+ 122 123 124 125 126 128 126 127
+ 128 129 129 130 129 131 129 132
+ 132 133 133 136 133 134 133 135
+ 136 138 136 159 136 137 138 139
+ 139 141 139 155 139 140 141 144
+ 141 142 142 143 144 146 144 145
+ 146 147 146 148 148 150 148 149
+ 150 151 150 142 151 152 151 153
+ 151 154 155 159 155 157 155 156
+ 157 158 159 161 159 160 161 162
+ 162 163 162 164 162 165 165 166
+ 166 169 166 167 166 168 169 171
+ 169 192 169 170 171 172 172 174
+ 172 188 172 173 174 183 174 177
+ 175 176 176 177 177 178 179 184
+ 180 179 180 181 180 182 183 182
+ 183 175 184 185 184 175 185 186
+ 185 187 188 192 188 190 188 189
+ 190 191 192 194 192 193 194 195
+ 195 196 195 197 195 198 198 199
+ 199 202 199 200 199 201 202 204
+ 202 226 202 203 204 205 205 207
+ 205 222 205 206 207 208 207 220
+ 208 212 208 218 209 210 209 211
+ 213 209 213 214 213 212 214 215
+ 214 216 216 218 216 217 218 219
+ 219 220 220 221 222 226 222 224
+ 222 223 224 225 226 228 226 227
+ 228 229 229 230 229 231 229 232
+ 232 233 233 236 233 234 233 235
+ 236 238 236 259 236 237 238 239
+ 239 241 239 255 239 240 241 244
+ 241 242 242 243 244 246 244 245
+ 246 247 246 248 248 250 248 249
+ 250 251 250 242 251 252 251 253
+ 251 254 255 259 255 257 255 256
+ 257 258 259 261 259 260 261 262
+ 262 263 262 264 262 265 265 266
+ 266 269 266 267 266 268 269 271
+ 269 292 269 270 271 272 272 274
+ 272 288 272 273 274 277 274 275
+ 275 276 277 279 277 278 279 280
+ 279 281 281 283 281 282 283 284
+ 283 275 284 285 284 286 284 287
+ 288 292 288 290 288 289 290 291
+ 292 294 292 293 294 295 295 296
+ 295 297 295 298 298 299 299 302
+ 299 300 299 301 302 304 302 325
+ 302 303 304 305 305 307 305 321
+ 305 306 307 316 307 310 308 309
+ 309 310 310 311 312 317 313 312
+ 313 314 313 315 316 315 316 308
+ 317 318 317 308 318 319 318 320
+ 321 325 321 323 321 322 323 324
+ 325 327 325 326 327 328 328 329
+ 328 330 328 331 331 332 332 335
+ 332 333 332 334 335 337 335 358
+ 335 336 337 338 338 340 338 354
+ 338 339 340 343 340 341 341 342
+ 343 345 343 344 345 346 345 347
+ 347 349 347 348 349 350 349 341
+ 350 351 350 352 350 353 354 358
+ 354 356 354 355 356 357 358 360
+ 358 359 360 361 361 362 361 363
+ 361 364 364 365 365 368 365 366
+ 365 367 368 370 368 391 368 369
+ 370 371 371 373 371 387 371 372
+ 373 382 373 376 374 375 375 376
+ 376 377 378 383 379 378 379 380
+ 379 381 382 381 382 374 383 384
+ 383 374 384 385 384 386 387 391
+ 387 389 387 388 389 390 391 393
+ 391 392 393 394 394 395 394 396
+ 394 397 397 398 398 401 398 399
+ 398 400 401 403 401 425 401 402
+ 403 404 404 406 404 421 404 405
+ 406 407 406 419 407 411 407 417
+ 408 409 408 410 412 408 412 413
+ 412 411 413 414 413 415 415 417
+ 415 416 417 418 418 419 419 420
+ 421 425 421 423 421 422 423 424
+ 425 427 425 426 427 428 428 429
+ 428 430 428 431 431 432 432 435
+ 432 433 432 434 435 437 435 459
+ 435 436 437 438 438 440 438 455
+ 438 439 440 441 440 453 441 445
+ 441 451 442 443 442 444 446 442
+ 446 447 446 445 447 448 447 449
+ 449 451 449 450 451 452 452 453
+ 453 454 455 459 455 457 455 456
+ 457 458 459 461 459 460 461 462
+ 462 463 462 464 462 465 465 466
+ 466 469 466 467 466 468 469 471
+ 469 492 469 470 471 472 472 474
+ 472 488 472 473 474 483 474 477
+ 475 476 476 477 477 478 479 484
+ 480 479 480 481 480 482 483 482
+ 483 475 484 485 484 475 485 486
+ 485 487 488 492 488 490 488 489
+ 490 491 492 494 492 493 494 495
+ 495 496 495 497 495 498 498 499
+ 499 502 499 500 499 501 502 504
+ 502 525 502 503 504 505 505 507
+ 505 521 505 506 507 510 507 508
+ 508 509 510 512 510 511 512 513
+ 512 514 514 516 514 515 516 517
+ 516 508 517 518 517 519 517 520
+ 521 525 521 523 521 522 523 524
+ 525 527 525 526 528 529 528 530
+ 531 532 531 533 535 536 535 537
+ 538 539 538 540 542 543 542 544
+ 545 546 545 547 548 549 548 550
+ 551 552 551 553 554 555 554 556
+ 557 558 557 559 560 561 560 562
+ 563 564 563 565 566 567 566 568
+ 569 570 569 571 572 573 572 574
+ 575 576 575 577 578 579 578 580
+ 581 582 581 583 584 585 584 586
+ 587 588 587 589 590 591 590 592
+ 593 594 593 595 596 597 596 598
+ 599 600 599 601 602 603 602 604
+ 605 606 605 607 608 609 608 610
+ 611 612 611 613 614 615 614 616
+ 617 618 617 619 620 621 620 622
+ 623 624 623 625 626 627 626 628
+ 629 630 629 631 632 633 632 634
+ 635 636 635 637 638 639 638 640
+ 641 642 641 643 644 645 644 646
+ 647 648 647 649 650 651 650 652
+ 653 654 653 655 656 657 656 658
+ 659 660 659 661 662 663 662 664
+ 665 666 665 667 668 669 668 670
+ 671 672 671 673 674 675 674 676
+ 677 678 677 679 680 681 680 682
+ 683 684 683 685 686 687 686 688
+ 689 690 689 691 692 693 692 694
+ 695 696 695 697 698 699 698 700
+ 701 702 701 703 704 705 704 706
+ 707 708 707 709 710 711 710 712
+ 713 714 713 715 716 717 716 718
+ 719 720 719 721 722 723 722 724
+ 725 726 725 727 728 729 728 730
+ 731 732 731 733 734 735 734 736
+ 737 738 737 739 740 741 740 742
+ 743 744 743 745 746 747 746 748
+ 749 750 749 751 752 753 752 754
+ 755 756 755 757 758 759 758 760
+ 761 762 761 763 764 765 764 766
+ 767 768 767 769 770 771 770 772
+ 773 774 773 775 776 777 776 778
+ 779 780 779 781 782 783 782 784
+ 785 786 785 787 788 789 788 790
+ 791 792 791 793 794 795 794 796
+ 797 798 797 799 800 801 800 802
+ 803 804 803 805 806 807 806 808
+ 809 810 809 811 812 813 812 814
+ 815 816 815 817 818 819 818 820
+ 821 822 821 823 825 826 825 827
+ 828 829 828 830 831 832 831 833
+ 834 835 834 836 837 838 837 839
+ 840 841 840 842 843 844 843 845
+ 846 847 846 848 849 850 849 851
+ 852 853 852 854 855 856 855 857
+ 859 860 859 861 862 863 862 864
+ 866 867 866 868 869 870 869 871
+ 872 873 872 874 875 876 875 877
+ 878 879 878 880 881 882 881 883
+ 884 885 884 886 887 888 887 889
+ 890 891 890 892 893 894 893 895
+ 896 897 896 898 899 900 899 901
+ 902 903 902 904 905 906 905 907
+ 908 909 908 910 911 912 911 913
+ 914 915 914 916 917 918 917 919
+ 920 921 920 922 923 924 923 925
+ 926 927 926 928 929 930 929 931
+ 932 933 932 934 935 936 935 937
+ 938 939 938 940 941 942 941 943
+ 944 945 944 946 947 948 947 949
+ 950 951 950 952 953 954 953 955
+ 956 957 956 958 959 960 959 961
+ 962 963 962 964 965 966 965 967
+ 968 969 968 970 971 972 971 973
+ 974 975 974 976 977 978 977 979
+ 980 981 980 982 983 984 983 985
+ 986 987 986 988 989 990 989 991
+ 992 993 992 994 995 996 995 997
+ 998 999 998 1000 1001 1002 1001 1003
+ 1004 1005 1004 1006 1007 1008 1007 1009
+ 1011 1012 1011 1013 1014 1015 1014 1016
+ 1017 1018 1017 1019 1020 1021 1020 1022
+ 1023 1024 1023 1025 1026 1027 1026 1028
+ 1029 1030 1029 1031 1032 1033 1032 1034
+ 1035 1036 1035 1037 1038 1039 1038 1040
+ 1041 1042 1041 1043 1044 1045 1044 1046
+ 1047 1048 1047 1049 1050 1051 1050 1052
+ 1053 1054 1053 1055 1056 1057 1056 1058
+ 1059 1060 1059 1061 1063 1064 1063 1065
+ 1066 1067 1066 1068 1069 1070 1069 1071
+ 1072 1073 1072 1074 1075 1076 1075 1077
+ 1078 1079 1078 1080 1081 1082 1081 1083
+ 1084 1085 1084 1086 1087 1088 1087 1089
+ 1090 1091 1090 1092 1093 1094 1093 1095
+ 1096 1097 1096 1098 1099 1100 1099 1101
+ 1102 1103 1102 1104 1105 1106 1105 1107
+ 1108 1109 1108 1110 1111 1112 1111 1113
+ 1114 1115 1114 1116 1117 1118 1117 1119
+ 1120 1121 1120 1122 1123 1124 1123 1125
+ 1126 1127 1126 1128 1129 1130 1129 1131
+ 1132 1133 1132 1134 1135 1136 1135 1137
+ 1138 1139 1138 1140 1141 1142 1141 1143
+ 1144 1145 1144 1146 1147 1148 1147 1149
+ 1150 1151 1150 1152 1153 1154 1153 1155
+ 1156 1157 1156 1158 1159 1160 1159 1161
+ 1162 1163 1162 1164 1165 1166 1165 1167
+ 1168 1169 1168 1170 1171 1172 1171 1173
+ 1174 1175 1174 1176 1177 1178 1177 1179
+ 1180 1181 1180 1182 1183 1184 1183 1185
+ 1186 1187 1186 1188 1189 1190 1189 1191
+ 1192 1193 1192 1194 1195 1196 1195 1197
+ 1198 1199 1198 1200 1201 1202 1201 1203
+ 1204 1205 1204 1206 1207 1208 1207 1209
+ 1210 1211 1210 1212 1213 1214 1213 1215
+ 1216 1217 1216 1218 1219 1220 1219 1221
+ 1222 1223 1222 1224 1225 1226 1225 1227
+ 1228 1229 1228 1230 1231 1232 1231 1233
+ 1234 1235 1234 1236 1237 1238 1237 1239
+ 1240 1241 1240 1242 1243 1244 1243 1245
+ 1246 1247 1246 1248 1249 1250 1249 1251
+ 1252 1253 1252 1254 1255 1256 1255 1257
+ 1258 1259 1258 1260 1261 1262 1261 1263
+ 1265 1266 1265 1267 1268 1269 1268 1270
+ 1271 1272 1271 1273 1274 1275 1274 1276
+ 1277 1278 1277 1279 1280 1281 1280 1282
+ 1283 1284 1283 1285 1286 1287 1286 1288
+ 1289 1290 1289 1291 1292 1293 1292 1294
+ 1295 1296 1295 1297 1298 1299 1298 1300
+ 1301 1302 1301 1303 1304 1305 1304 1306
+ 1307 1308 1307 1309 1310 1311 1310 1312
+ 1313 1314 1313 1315 1316 1317 1316 1318
+ 1319 1320 1319 1321 1322 1323 1322 1324
+ 1325 1326 1325 1327 1328 1329 1328 1330
+ 1331 1332 1331 1333 1334 1335 1334 1336
+ 1337 1338 1337 1339 1340 1341 1340 1342
+ 1343 1344 1343 1345 1346 1347 1346 1348
+ 1349 1350 1349 1351 1352 1353 1352 1354
+ 1355 1356 1355 1357 1358 1359 1358 1360
+ 1361 1362 1361 1363 1364 1365 1364 1366
+ 1367 1368 1367 1369 1370 1371 1370 1372
+ 1373 1374 1373 1375 1376 1377 1376 1378
+ 1379 1380 1379 1381 1382 1383 1382 1384
+ 1385 1386 1385 1387 1388 1389 1388 1390
+ 1391 1392 1391 1393 1394 1395 1394 1396
+ 1397 1398 1397 1399 1400 1401 1400 1402
+ 1403 1404 1403 1405 1406 1407 1406 1408
+ 1409 1410 1409 1411 1412 1413 1412 1414
+ 1415 1416 1415 1417 1418 1419 1418 1420
+ 1421 1422 1421 1423 1424 1425 1424 1426
+ 1427 1428 1427 1429 1430 1431 1430 1432
+ 1433 1434 1433 1435 1436 1437 1436 1438
+ 1439 1440 1439 1441 1442 1443 1442 1444
+ 1445 1446 1445 1447 1448 1449 1448 1450
+ 1451 1452 1451 1453 1454 1455 1454 1456
+ 1457 1458 1457 1459 1460 1461 1460 1462
+ 1463 1464 1463 1465 1466 1467 1466 1468
+ 1470 1471 1470 1472 1473 1474 1473 1475
+ 1476 1477 1476 1478 1479 1480 1479 1481
+ 1482 1483 1482 1484 1485 1486 1485 1487
+ 1488 1489 1488 1490 1491 1492 1491 1493
+ 1494 1495 1494 1496 1497 1498 1497 1499
+ 1500 1501 1500 1502 1503 1504 1503 1505
+ 1506 1507 1506 1508 1509 1510 1509 1511
+ 1512 1513 1512 1514 1515 1516 1515 1517
+ 1518 1519 1518 1520 1521 1522 1521 1523
+ 1524 1525 1524 1526 1527 1528 1527 1529
+ 1530 1531 1530 1532 1533 1534 1533 1535
+ 1536 1537 1536 1538 1539 1540 1539 1541
+ 1542 1543 1542 1544 1545 1546 1545 1547
+ 1548 1549 1548 1550 1551 1552 1551 1553
+ 1554 1555 1554 1556 1557 1558 1557 1559
+ 1560 1561 1560 1562 1563 1564 1563 1565
+ 1566 1567 1566 1568 1569 1570 1569 1571
+ 1572 1573 1572 1574 1575 1576 1575 1577
+ 1578 1579 1578 1580 1581 1582 1581 1583
+ 1584 1585 1584 1586 1587 1588 1587 1589
+ 1590 1591 1590 1592 1593 1594 1593 1595
+ 1596 1597 1596 1598 1599 1600 1599 1601
+ 1602 1603 1602 1604 1605 1606 1605 1607
+ 1608 1609 1608 1610 1611 1612 1611 1613
+ 1614 1615 1614 1616 1617 1618 1617 1619
+ 1620 1621 1620 1622 1623 1624 1623 1625
+ 1626 1627 1626 1628 1629 1630 1629 1631
+ 1632 1633 1632 1634 1635 1636 1635 1637
+ 1638 1639 1638 1640 1641 1642 1641 1643
+ 1644 1645 1644 1646 1647 1648 1647 1649
+ 1650 1651 1650 1652 1653 1654 1653 1655
+ 1656 1657 1656 1658 1659 1660 1659 1661
+ 1662 1663 1662 1664 1665 1666 1665 1667
+ 1668 1669 1668 1670 1671 1672 1671 1673
+ 1674 1675 1674 1676 1677 1678 1677 1679
+ 1680 1681 1680 1682 1683 1684 1683 1685
+ 1686 1687 1686 1688 1689 1690 1689 1691
+ 1692 1693 1692 1694 1695 1696 1695 1697
+ 1698 1699 1698 1700 1701 1702 1701 1703
+ 1704 1705 1704 1706 1707 1708 1707 1709
+ 1710 1711 1710 1712 1713 1714 1713 1715
+ 1716 1717 1716 1718 1719 1720 1719 1721
+ 1723 1724 1723 1725 1726 1727 1726 1728
+ 1729 1730 1729 1731 1732 1733 1732 1734
+ 1735 1736 1735 1737 1738 1739 1738 1740
+ 1741 1742 1741 1743 1744 1745 1744 1746
+ 1747 1748 1747 1749 1750 1751 1750 1752
+ 1753 1754 1753 1755 1756 1757 1756 1758
+ 1759 1760 1759 1761 1762 1763 1762 1764
+ 1765 1766 1765 1767 1768 1769 1768 1770
+ 1771 1772 1771 1773 1774 1775 1774 1776
+ 1777 1778 1777 1779 1780 1781 1780 1782
+ 1784 1785 1784 1786 1787 1788 1787 1789
+ 1790 1791 1790 1792 1793 1794 1793 1795
+ 1796 1797 1796 1798 1799 1800 1799 1801
+ 1802 1803 1802 1804 1805 1806 1805 1807
+ 1808 1809 1808 1810 1812 1813 1812 1814
+ 1815 1816 1815 1817 1818 1819 1818 1820
+ 1821 1822 1821 1823 1824 1825 1824 1826
+ 1827 1828 1827 1829 1830 1831 1830 1832
+ 1833 1834 1833 1835 1836 1837 1836 1838
+ 1839 1840 1839 1841 1842 1843 1842 1844
+ 1846 1847 1846 1848 1849 1850 1849 1851
+ 1852 1853 1852 1854 1855 1856 1855 1857
+ 1858 1859 1858 1860 1861 1862 1861 1863
+ 1864 1865 1864 1866 1867 1868 1867 1869
+ 1870 1871 1870 1872 1873 1874 1873 1875
+ 1876 1877 1876 1878 1879 1880 1879 1881
+ 1882 1883 1882 1884 1885 1886 1885 1887
+ 1888 1889 1888 1890 1891 1892 1891 1893
+ 1894 1895 1894 1896 1897 1898 1897 1899
+ 1900 1901 1900 1902 1903 1904 1903 1905
+ 1906 1907 1906 1908 1909 1910 1909 1911
+ 1912 1913 1912 1914 1916 1917 1916 1918
+ 1919 1920 1919 1921 1922 1923 1922 1924
+ 1925 1926 1925 1927 1928 1929 1928 1930
+ 1931 1932 1931 1933 1935 1936 1935 1937
+ 1938 1939 1938 1940 1941 1942 1941 1943
+ 1944 1945 1944 1946 1947 1948 1947 1949
+ 1950 1951 1950 1952 1953 1954 1953 1955
+ 1956 1957 1956 1958 1959 1960 1959 1961
+ 1962 1963 1962 1964 1966 1967 1966 1968
+
+ 1491 !NTHETA: angles
+ 1 4 5 2 1 4 2 1 3
+ 3 1 4 4 5 7 4 5 6
+ 4 5 8 5 8 9 5 8 31
+ 5 8 10 6 5 7 8 31 32
+ 8 31 33 8 31 27 8 10 11
+ 8 5 7 8 5 6 10 11 12
+ 10 11 27 10 11 13 10 8 9
+ 10 8 31 11 27 28 11 27 29
+ 11 27 31 11 13 16 11 13 22
+ 13 22 14 13 22 21 13 16 15
+ 13 16 17 13 11 12 13 11 27
+ 14 23 18 14 15 16 15 14 22
+ 17 16 15 18 19 21 18 19 20
+ 19 18 23 20 19 21 21 22 14
+ 22 21 19 22 13 16 23 24 26
+ 23 24 25 23 14 22 23 14 15
+ 24 23 18 24 23 14 25 24 26
+ 27 31 32 27 31 33 27 29 30
+ 27 11 12 29 27 28 31 33 34
+ 31 27 28 31 27 29 31 8 9
+ 33 31 32 34 37 38 35 34 33
+ 35 34 37 35 34 36 36 34 33
+ 36 34 37 37 38 40 37 38 39
+ 37 38 41 37 34 33 38 41 42
+ 38 41 64 38 41 43 39 38 40
+ 41 64 65 41 64 66 41 64 60
+ 41 43 44 41 38 40 41 38 39
+ 43 44 45 43 44 60 43 44 46
+ 43 41 42 43 41 64 44 60 61
+ 44 60 62 44 60 64 44 46 47
+ 44 46 49 46 49 50 46 49 51
+ 46 47 55 46 47 48 46 44 45
+ 46 44 60 48 47 55 49 51 53
+ 49 51 52 49 46 47 51 53 54
+ 51 53 55 51 49 50 52 51 53
+ 53 55 47 53 55 56 55 56 59
+ 55 56 58 55 56 57 55 53 54
+ 56 55 47 57 56 59 57 56 58
+ 58 56 59 60 64 65 60 64 66
+ 60 62 63 60 44 45 62 60 61
+ 64 66 67 64 60 61 64 60 62
+ 64 41 42 66 64 65 67 70 71
+ 68 67 66 68 67 70 68 67 69
+ 69 67 66 69 67 70 70 71 73
+ 70 71 72 70 71 74 70 67 66
+ 71 74 75 71 74 95 71 74 76
+ 72 71 73 74 95 96 74 95 97
+ 74 95 91 74 76 77 74 71 73
+ 74 71 72 76 77 78 76 77 91
+ 76 77 79 76 74 75 76 74 95
+ 77 91 92 77 91 93 77 91 95
+ 77 79 80 77 79 84 79 84 85
+ 79 84 86 79 80 82 79 80 81
+ 79 77 78 79 77 91 81 80 82
+ 82 87 86 83 82 80 84 86 87
+ 84 79 80 86 84 85 87 88 90
+ 87 88 89 87 82 80 87 82 83
+ 88 87 86 88 87 82 89 88 90
+ 91 95 96 91 95 97 91 93 94
+ 91 77 78 93 91 92 95 97 98
+ 95 91 92 95 91 93 95 74 75
+ 97 95 96 98 101 102 99 98 97
+ 99 98 101 99 98 100 100 98 97
+ 100 98 101 101 102 104 101 102 103
+ 101 102 105 101 98 97 102 105 106
+ 102 105 126 102 105 107 103 102 104
+ 105 126 127 105 126 128 105 126 122
+ 105 107 108 105 102 104 105 102 103
+ 107 108 109 107 108 122 107 108 110
+ 107 105 106 107 105 126 108 122 123
+ 108 122 124 108 122 126 108 110 111
+ 108 110 115 110 115 116 110 115 117
+ 110 111 113 110 111 112 110 108 109
+ 110 108 122 112 111 113 113 118 117
+ 114 113 111 115 117 118 115 110 111
+ 117 115 116 118 119 121 118 119 120
+ 118 113 111 118 113 114 119 118 117
+ 119 118 113 120 119 121 122 126 127
+ 122 126 128 122 124 125 122 108 109
+ 124 122 123 126 128 129 126 122 123
+ 126 122 124 126 105 106 128 126 127
+ 129 132 133 130 129 128 130 129 132
+ 130 129 131 131 129 128 131 129 132
+ 132 133 135 132 133 134 132 133 136
+ 132 129 128 133 136 137 133 136 159
+ 133 136 138 134 133 135 136 159 160
+ 136 159 161 136 159 155 136 138 139
+ 136 133 135 136 133 134 138 139 140
+ 138 139 155 138 139 141 138 136 137
+ 138 136 159 139 155 156 139 155 157
+ 139 155 159 139 141 142 139 141 144
+ 141 144 145 141 144 146 141 142 150
+ 141 142 143 141 139 140 141 139 155
+ 143 142 150 144 146 148 144 146 147
+ 144 141 142 146 148 149 146 148 150
+ 146 144 145 147 146 148 148 150 142
+ 148 150 151 150 151 154 150 151 153
+ 150 151 152 150 148 149 151 150 142
+ 152 151 154 152 151 153 153 151 154
+ 155 159 160 155 159 161 155 157 158
+ 155 139 140 157 155 156 159 161 162
+ 159 155 156 159 155 157 159 136 137
+ 161 159 160 162 165 166 163 162 161
+ 163 162 165 163 162 164 164 162 161
+ 164 162 165 165 166 168 165 166 167
+ 165 166 169 165 162 161 166 169 170
+ 166 169 192 166 169 171 167 166 168
+ 169 192 193 169 192 194 169 192 188
+ 169 171 172 169 166 168 169 166 167
+ 171 172 173 171 172 188 171 172 174
+ 171 169 170 171 169 192 172 188 189
+ 172 188 190 172 188 192 172 174 177
+ 172 174 183 174 183 175 174 183 182
+ 174 177 176 174 177 178 174 172 173
+ 174 172 188 175 184 179 175 176 177
+ 176 175 183 178 177 176 179 180 182
+ 179 180 181 180 179 184 181 180 182
+ 182 183 175 183 182 180 183 174 177
+ 184 185 187 184 185 186 184 175 183
+ 184 175 176 185 184 179 185 184 175
+ 186 185 187 188 192 193 188 192 194
+ 188 190 191 188 172 173 190 188 189
+ 192 194 195 192 188 189 192 188 190
+ 192 169 170 194 192 193 195 198 199
+ 196 195 194 196 195 198 196 195 197
+ 197 195 194 197 195 198 198 199 201
+ 198 199 200 198 199 202 198 195 194
+ 199 202 203 199 202 226 199 202 204
+ 200 199 201 202 226 227 202 226 228
+ 202 226 222 202 204 205 202 199 201
+ 202 199 200 204 205 206 204 205 222
+ 204 205 207 204 202 203 204 202 226
+ 205 222 223 205 222 224 205 222 226
+ 205 207 220 205 207 208 207 220 219
+ 207 220 221 207 208 218 207 208 212
+ 207 205 206 207 205 222 208 212 213
+ 208 207 220 209 213 212 209 213 214
+ 210 209 211 212 208 218 213 214 216
+ 213 214 215 213 209 211 213 209 210
+ 214 216 217 214 216 218 214 213 212
+ 215 214 216 216 218 208 216 218 219
+ 218 219 220 218 216 217 219 218 208
+ 221 220 219 222 226 227 222 226 228
+ 222 224 225 222 205 206 224 222 223
+ 226 228 229 226 222 223 226 222 224
+ 226 202 203 228 226 227 229 232 233
+ 230 229 228 230 229 232 230 229 231
+ 231 229 228 231 229 232 232 233 235
+ 232 233 234 232 233 236 232 229 228
+ 233 236 237 233 236 259 233 236 238
+ 234 233 235 236 259 260 236 259 261
+ 236 259 255 236 238 239 236 233 235
+ 236 233 234 238 239 240 238 239 255
+ 238 239 241 238 236 237 238 236 259
+ 239 255 256 239 255 257 239 255 259
+ 239 241 242 239 241 244 241 244 245
+ 241 244 246 241 242 250 241 242 243
+ 241 239 240 241 239 255 243 242 250
+ 244 246 248 244 246 247 244 241 242
+ 246 248 249 246 248 250 246 244 245
+ 247 246 248 248 250 242 248 250 251
+ 250 251 254 250 251 253 250 251 252
+ 250 248 249 251 250 242 252 251 254
+ 252 251 253 253 251 254 255 259 260
+ 255 259 261 255 257 258 255 239 240
+ 257 255 256 259 261 262 259 255 256
+ 259 255 257 259 236 237 261 259 260
+ 262 265 266 263 262 261 263 262 265
+ 263 262 264 264 262 261 264 262 265
+ 265 266 268 265 266 267 265 266 269
+ 265 262 261 266 269 270 266 269 292
+ 266 269 271 267 266 268 269 292 293
+ 269 292 294 269 292 288 269 271 272
+ 269 266 268 269 266 267 271 272 273
+ 271 272 288 271 272 274 271 269 270
+ 271 269 292 272 288 289 272 288 290
+ 272 288 292 272 274 275 272 274 277
+ 274 277 278 274 277 279 274 275 283
+ 274 275 276 274 272 273 274 272 288
+ 276 275 283 277 279 281 277 279 280
+ 277 274 275 279 281 282 279 281 283
+ 279 277 278 280 279 281 281 283 275
+ 281 283 284 283 284 287 283 284 286
+ 283 284 285 283 281 282 284 283 275
+ 285 284 287 285 284 286 286 284 287
+ 288 292 293 288 292 294 288 290 291
+ 288 272 273 290 288 289 292 294 295
+ 292 288 289 292 288 290 292 269 270
+ 294 292 293 295 298 299 296 295 294
+ 296 295 298 296 295 297 297 295 294
+ 297 295 298 298 299 301 298 299 300
+ 298 299 302 298 295 294 299 302 303
+ 299 302 325 299 302 304 300 299 301
+ 302 325 326 302 325 327 302 325 321
+ 302 304 305 302 299 301 302 299 300
+ 304 305 306 304 305 321 304 305 307
+ 304 302 303 304 302 325 305 321 322
+ 305 321 323 305 321 325 305 307 310
+ 305 307 316 307 316 308 307 316 315
+ 307 310 309 307 310 311 307 305 306
+ 307 305 321 308 317 312 308 309 310
+ 309 308 316 311 310 309 312 313 315
+ 312 313 314 313 312 317 314 313 315
+ 315 316 308 316 315 313 316 307 310
+ 317 318 320 317 318 319 317 308 316
+ 317 308 309 318 317 312 318 317 308
+ 319 318 320 321 325 326 321 325 327
+ 321 323 324 321 305 306 323 321 322
+ 325 327 328 325 321 322 325 321 323
+ 325 302 303 327 325 326 328 331 332
+ 329 328 327 329 328 331 329 328 330
+ 330 328 327 330 328 331 331 332 334
+ 331 332 333 331 332 335 331 328 327
+ 332 335 336 332 335 358 332 335 337
+ 333 332 334 335 358 359 335 358 360
+ 335 358 354 335 337 338 335 332 334
+ 335 332 333 337 338 339 337 338 354
+ 337 338 340 337 335 336 337 335 358
+ 338 354 355 338 354 356 338 354 358
+ 338 340 341 338 340 343 340 343 344
+ 340 343 345 340 341 349 340 341 342
+ 340 338 339 340 338 354 342 341 349
+ 343 345 347 343 345 346 343 340 341
+ 345 347 348 345 347 349 345 343 344
+ 346 345 347 347 349 341 347 349 350
+ 349 350 353 349 350 352 349 350 351
+ 349 347 348 350 349 341 351 350 353
+ 351 350 352 352 350 353 354 358 359
+ 354 358 360 354 356 357 354 338 339
+ 356 354 355 358 360 361 358 354 355
+ 358 354 356 358 335 336 360 358 359
+ 361 364 365 362 361 360 362 361 364
+ 362 361 363 363 361 360 363 361 364
+ 364 365 367 364 365 366 364 365 368
+ 364 361 360 365 368 369 365 368 391
+ 365 368 370 366 365 367 368 391 392
+ 368 391 393 368 391 387 368 370 371
+ 368 365 367 368 365 366 370 371 372
+ 370 371 387 370 371 373 370 368 369
+ 370 368 391 371 387 388 371 387 389
+ 371 387 391 371 373 376 371 373 382
+ 373 382 374 373 382 381 373 376 375
+ 373 376 377 373 371 372 373 371 387
+ 374 383 378 374 375 376 375 374 382
+ 377 376 375 378 379 381 378 379 380
+ 379 378 383 380 379 381 381 382 374
+ 382 381 379 382 373 376 383 384 386
+ 383 384 385 383 374 382 383 374 375
+ 384 383 378 384 383 374 385 384 386
+ 387 391 392 387 391 393 387 389 390
+ 387 371 372 389 387 388 391 393 394
+ 391 387 388 391 387 389 391 368 369
+ 393 391 392 394 397 398 395 394 393
+ 395 394 397 395 394 396 396 394 393
+ 396 394 397 397 398 400 397 398 399
+ 397 398 401 397 394 393 398 401 402
+ 398 401 425 398 401 403 399 398 400
+ 401 425 426 401 425 427 401 425 421
+ 401 403 404 401 398 400 401 398 399
+ 403 404 405 403 404 421 403 404 406
+ 403 401 402 403 401 425 404 421 422
+ 404 421 423 404 421 425 404 406 419
+ 404 406 407 406 419 418 406 419 420
+ 406 407 417 406 407 411 406 404 405
+ 406 404 421 407 411 412 407 406 419
+ 408 412 411 408 412 413 409 408 410
+ 411 407 417 412 413 415 412 413 414
+ 412 408 410 412 408 409 413 415 416
+ 413 415 417 413 412 411 414 413 415
+ 415 417 407 415 417 418 417 418 419
+ 417 415 416 418 417 407 420 419 418
+ 421 425 426 421 425 427 421 423 424
+ 421 404 405 423 421 422 425 427 428
+ 425 421 422 425 421 423 425 401 402
+ 427 425 426 428 431 432 429 428 427
+ 429 428 431 429 428 430 430 428 427
+ 430 428 431 431 432 434 431 432 433
+ 431 432 435 431 428 427 432 435 436
+ 432 435 459 432 435 437 433 432 434
+ 435 459 460 435 459 461 435 459 455
+ 435 437 438 435 432 434 435 432 433
+ 437 438 439 437 438 455 437 438 440
+ 437 435 436 437 435 459 438 455 456
+ 438 455 457 438 455 459 438 440 453
+ 438 440 441 440 453 452 440 453 454
+ 440 441 451 440 441 445 440 438 439
+ 440 438 455 441 445 446 441 440 453
+ 442 446 445 442 446 447 443 442 444
+ 445 441 451 446 447 449 446 447 448
+ 446 442 444 446 442 443 447 449 450
+ 447 449 451 447 446 445 448 447 449
+ 449 451 441 449 451 452 451 452 453
+ 451 449 450 452 451 441 454 453 452
+ 455 459 460 455 459 461 455 457 458
+ 455 438 439 457 455 456 459 461 462
+ 459 455 456 459 455 457 459 435 436
+ 461 459 460 462 465 466 463 462 461
+ 463 462 465 463 462 464 464 462 461
+ 464 462 465 465 466 468 465 466 467
+ 465 466 469 465 462 461 466 469 470
+ 466 469 492 466 469 471 467 466 468
+ 469 492 493 469 492 494 469 492 488
+ 469 471 472 469 466 468 469 466 467
+ 471 472 473 471 472 488 471 472 474
+ 471 469 470 471 469 492 472 488 489
+ 472 488 490 472 488 492 472 474 477
+ 472 474 483 474 483 475 474 483 482
+ 474 477 476 474 477 478 474 472 473
+ 474 472 488 475 484 479 475 476 477
+ 476 475 483 478 477 476 479 480 482
+ 479 480 481 480 479 484 481 480 482
+ 482 483 475 483 482 480 483 474 477
+ 484 485 487 484 485 486 484 475 483
+ 484 475 476 485 484 479 485 484 475
+ 486 485 487 488 492 493 488 492 494
+ 488 490 491 488 472 473 490 488 489
+ 492 494 495 492 488 489 492 488 490
+ 492 469 470 494 492 493 495 498 499
+ 496 495 494 496 495 498 496 495 497
+ 497 495 494 497 495 498 498 499 501
+ 498 499 500 498 499 502 498 495 494
+ 499 502 503 499 502 525 499 502 504
+ 500 499 501 502 525 526 502 525 527
+ 502 525 521 502 504 505 502 499 501
+ 502 499 500 504 505 506 504 505 521
+ 504 505 507 504 502 503 504 502 525
+ 505 521 522 505 521 523 505 521 525
+ 505 507 508 505 507 510 507 510 511
+ 507 510 512 507 508 516 507 508 509
+ 507 505 506 507 505 521 509 508 516
+ 510 512 514 510 512 513 510 507 508
+ 512 514 515 512 514 516 512 510 511
+ 513 512 514 514 516 508 514 516 517
+ 516 517 520 516 517 519 516 517 518
+ 516 514 515 517 516 508 518 517 520
+ 518 517 519 519 517 520 521 525 526
+ 521 525 527 521 523 524 521 505 506
+ 523 521 522 525 521 522 525 521 523
+ 525 502 503 527 525 526 529 528 530
+ 532 531 533 536 535 537 539 538 540
+ 543 542 544 546 545 547 549 548 550
+ 552 551 553 555 554 556 558 557 559
+ 561 560 562 564 563 565 567 566 568
+ 570 569 571 573 572 574 576 575 577
+ 579 578 580 582 581 583 585 584 586
+ 588 587 589 591 590 592 594 593 595
+ 597 596 598 600 599 601 603 602 604
+ 606 605 607 609 608 610 612 611 613
+ 615 614 616 618 617 619 621 620 622
+ 624 623 625 627 626 628 630 629 631
+ 633 632 634 636 635 637 639 638 640
+ 642 641 643 645 644 646 648 647 649
+ 651 650 652 654 653 655 657 656 658
+ 660 659 661 663 662 664 666 665 667
+ 669 668 670 672 671 673 675 674 676
+ 678 677 679 681 680 682 684 683 685
+ 687 686 688 690 689 691 693 692 694
+ 696 695 697 699 698 700 702 701 703
+ 705 704 706 708 707 709 711 710 712
+ 714 713 715 717 716 718 720 719 721
+ 723 722 724 726 725 727 729 728 730
+ 732 731 733 735 734 736 738 737 739
+ 741 740 742 744 743 745 747 746 748
+ 750 749 751 753 752 754 756 755 757
+ 759 758 760 762 761 763 765 764 766
+ 768 767 769 771 770 772 774 773 775
+ 777 776 778 780 779 781 783 782 784
+ 786 785 787 789 788 790 792 791 793
+ 795 794 796 798 797 799 801 800 802
+ 804 803 805 807 806 808 810 809 811
+ 813 812 814 816 815 817 819 818 820
+ 822 821 823 826 825 827 829 828 830
+ 832 831 833 835 834 836 838 837 839
+ 841 840 842 844 843 845 847 846 848
+ 850 849 851 853 852 854 856 855 857
+ 860 859 861 863 862 864 867 866 868
+ 870 869 871 873 872 874 876 875 877
+ 879 878 880 882 881 883 885 884 886
+ 888 887 889 891 890 892 894 893 895
+ 897 896 898 900 899 901 903 902 904
+ 906 905 907 909 908 910 912 911 913
+ 915 914 916 918 917 919 921 920 922
+ 924 923 925 927 926 928 930 929 931
+ 933 932 934 936 935 937 939 938 940
+ 942 941 943 945 944 946 948 947 949
+ 951 950 952 954 953 955 957 956 958
+ 960 959 961 963 962 964 966 965 967
+ 969 968 970 972 971 973 975 974 976
+ 978 977 979 981 980 982 984 983 985
+ 987 986 988 990 989 991 993 992 994
+ 996 995 997 999 998 1000 1002 1001 1003
+ 1005 1004 1006 1008 1007 1009 1012 1011 1013
+ 1015 1014 1016 1018 1017 1019 1021 1020 1022
+ 1024 1023 1025 1027 1026 1028 1030 1029 1031
+ 1033 1032 1034 1036 1035 1037 1039 1038 1040
+ 1042 1041 1043 1045 1044 1046 1048 1047 1049
+ 1051 1050 1052 1054 1053 1055 1057 1056 1058
+ 1060 1059 1061 1064 1063 1065 1067 1066 1068
+ 1070 1069 1071 1073 1072 1074 1076 1075 1077
+ 1079 1078 1080 1082 1081 1083 1085 1084 1086
+ 1088 1087 1089 1091 1090 1092 1094 1093 1095
+ 1097 1096 1098 1100 1099 1101 1103 1102 1104
+ 1106 1105 1107 1109 1108 1110 1112 1111 1113
+ 1115 1114 1116 1118 1117 1119 1121 1120 1122
+ 1124 1123 1125 1127 1126 1128 1130 1129 1131
+ 1133 1132 1134 1136 1135 1137 1139 1138 1140
+ 1142 1141 1143 1145 1144 1146 1148 1147 1149
+ 1151 1150 1152 1154 1153 1155 1157 1156 1158
+ 1160 1159 1161 1163 1162 1164 1166 1165 1167
+ 1169 1168 1170 1172 1171 1173 1175 1174 1176
+ 1178 1177 1179 1181 1180 1182 1184 1183 1185
+ 1187 1186 1188 1190 1189 1191 1193 1192 1194
+ 1196 1195 1197 1199 1198 1200 1202 1201 1203
+ 1205 1204 1206 1208 1207 1209 1211 1210 1212
+ 1214 1213 1215 1217 1216 1218 1220 1219 1221
+ 1223 1222 1224 1226 1225 1227 1229 1228 1230
+ 1232 1231 1233 1235 1234 1236 1238 1237 1239
+ 1241 1240 1242 1244 1243 1245 1247 1246 1248
+ 1250 1249 1251 1253 1252 1254 1256 1255 1257
+ 1259 1258 1260 1262 1261 1263 1266 1265 1267
+ 1269 1268 1270 1272 1271 1273 1275 1274 1276
+ 1278 1277 1279 1281 1280 1282 1284 1283 1285
+ 1287 1286 1288 1290 1289 1291 1293 1292 1294
+ 1296 1295 1297 1299 1298 1300 1302 1301 1303
+ 1305 1304 1306 1308 1307 1309 1311 1310 1312
+ 1314 1313 1315 1317 1316 1318 1320 1319 1321
+ 1323 1322 1324 1326 1325 1327 1329 1328 1330
+ 1332 1331 1333 1335 1334 1336 1338 1337 1339
+ 1341 1340 1342 1344 1343 1345 1347 1346 1348
+ 1350 1349 1351 1353 1352 1354 1356 1355 1357
+ 1359 1358 1360 1362 1361 1363 1365 1364 1366
+ 1368 1367 1369 1371 1370 1372 1374 1373 1375
+ 1377 1376 1378 1380 1379 1381 1383 1382 1384
+ 1386 1385 1387 1389 1388 1390 1392 1391 1393
+ 1395 1394 1396 1398 1397 1399 1401 1400 1402
+ 1404 1403 1405 1407 1406 1408 1410 1409 1411
+ 1413 1412 1414 1416 1415 1417 1419 1418 1420
+ 1422 1421 1423 1425 1424 1426 1428 1427 1429
+ 1431 1430 1432 1434 1433 1435 1437 1436 1438
+ 1440 1439 1441 1443 1442 1444 1446 1445 1447
+ 1449 1448 1450 1452 1451 1453 1455 1454 1456
+ 1458 1457 1459 1461 1460 1462 1464 1463 1465
+ 1467 1466 1468 1471 1470 1472 1474 1473 1475
+ 1477 1476 1478 1480 1479 1481 1483 1482 1484
+ 1486 1485 1487 1489 1488 1490 1492 1491 1493
+ 1495 1494 1496 1498 1497 1499 1501 1500 1502
+ 1504 1503 1505 1507 1506 1508 1510 1509 1511
+ 1513 1512 1514 1516 1515 1517 1519 1518 1520
+ 1522 1521 1523 1525 1524 1526 1528 1527 1529
+ 1531 1530 1532 1534 1533 1535 1537 1536 1538
+ 1540 1539 1541 1543 1542 1544 1546 1545 1547
+ 1549 1548 1550 1552 1551 1553 1555 1554 1556
+ 1558 1557 1559 1561 1560 1562 1564 1563 1565
+ 1567 1566 1568 1570 1569 1571 1573 1572 1574
+ 1576 1575 1577 1579 1578 1580 1582 1581 1583
+ 1585 1584 1586 1588 1587 1589 1591 1590 1592
+ 1594 1593 1595 1597 1596 1598 1600 1599 1601
+ 1603 1602 1604 1606 1605 1607 1609 1608 1610
+ 1612 1611 1613 1615 1614 1616 1618 1617 1619
+ 1621 1620 1622 1624 1623 1625 1627 1626 1628
+ 1630 1629 1631 1633 1632 1634 1636 1635 1637
+ 1639 1638 1640 1642 1641 1643 1645 1644 1646
+ 1648 1647 1649 1651 1650 1652 1654 1653 1655
+ 1657 1656 1658 1660 1659 1661 1663 1662 1664
+ 1666 1665 1667 1669 1668 1670 1672 1671 1673
+ 1675 1674 1676 1678 1677 1679 1681 1680 1682
+ 1684 1683 1685 1687 1686 1688 1690 1689 1691
+ 1693 1692 1694 1696 1695 1697 1699 1698 1700
+ 1702 1701 1703 1705 1704 1706 1708 1707 1709
+ 1711 1710 1712 1714 1713 1715 1717 1716 1718
+ 1720 1719 1721 1724 1723 1725 1727 1726 1728
+ 1730 1729 1731 1733 1732 1734 1736 1735 1737
+ 1739 1738 1740 1742 1741 1743 1745 1744 1746
+ 1748 1747 1749 1751 1750 1752 1754 1753 1755
+ 1757 1756 1758 1760 1759 1761 1763 1762 1764
+ 1766 1765 1767 1769 1768 1770 1772 1771 1773
+ 1775 1774 1776 1778 1777 1779 1781 1780 1782
+ 1785 1784 1786 1788 1787 1789 1791 1790 1792
+ 1794 1793 1795 1797 1796 1798 1800 1799 1801
+ 1803 1802 1804 1806 1805 1807 1809 1808 1810
+ 1813 1812 1814 1816 1815 1817 1819 1818 1820
+ 1822 1821 1823 1825 1824 1826 1828 1827 1829
+ 1831 1830 1832 1834 1833 1835 1837 1836 1838
+ 1840 1839 1841 1843 1842 1844 1847 1846 1848
+ 1850 1849 1851 1853 1852 1854 1856 1855 1857
+ 1859 1858 1860 1862 1861 1863 1865 1864 1866
+ 1868 1867 1869 1871 1870 1872 1874 1873 1875
+ 1877 1876 1878 1880 1879 1881 1883 1882 1884
+ 1886 1885 1887 1889 1888 1890 1892 1891 1893
+ 1895 1894 1896 1898 1897 1899 1901 1900 1902
+ 1904 1903 1905 1907 1906 1908 1910 1909 1911
+ 1913 1912 1914 1917 1916 1918 1920 1919 1921
+ 1923 1922 1924 1926 1925 1927 1929 1928 1930
+ 1932 1931 1933 1936 1935 1937 1939 1938 1940
+ 1942 1941 1943 1945 1944 1946 1948 1947 1949
+ 1951 1950 1952 1954 1953 1955 1957 1956 1958
+ 1960 1959 1961 1963 1962 1964 1967 1966 1968
+
+ 1497 !NPHI: dihedrals
+ 1 4 5 8 1 4 5 6
+ 1 4 5 7 2 1 4 5
+ 3 1 4 5 4 5 8 10
+ 4 5 8 31 4 5 8 9
+ 5 8 10 11 5 8 31 27
+ 5 8 31 33 5 8 31 32
+ 6 5 8 10 6 5 8 31
+ 6 5 8 9 7 5 8 10
+ 7 5 8 31 7 5 8 9
+ 8 31 27 11 8 31 27 29
+ 8 31 27 28 8 31 33 34
+ 8 10 11 13 8 10 11 27
+ 8 10 11 12 9 8 10 11
+ 9 8 31 27 9 8 31 33
+ 9 8 31 32 10 11 13 22
+ 10 11 13 16 10 11 27 31
+ 10 11 27 29 10 11 27 28
+ 10 8 31 27 10 8 31 33
+ 10 8 31 32 11 27 31 33
+ 11 27 31 32 11 27 29 30
+ 11 13 22 21 11 13 22 14
+ 11 13 16 17 11 13 16 15
+ 11 10 8 31 12 11 13 22
+ 12 11 13 16 12 11 27 31
+ 12 11 27 29 12 11 27 28
+ 13 22 21 19 13 22 14 23
+ 13 22 14 15 13 16 15 14
+ 13 11 27 31 13 11 27 29
+ 13 11 27 28 14 23 24 25
+ 14 23 24 26 14 23 18 19
+ 14 22 13 16 14 22 21 19
+ 14 15 16 17 15 16 13 22
+ 15 14 23 24 15 14 23 18
+ 15 14 22 21 16 15 14 23
+ 16 15 14 22 16 13 11 27
+ 16 13 22 21 17 16 13 22
+ 18 23 24 25 18 23 24 26
+ 18 23 14 22 18 19 21 22
+ 19 18 23 24 20 19 18 23
+ 20 19 21 22 21 22 14 23
+ 21 19 18 23 22 14 23 24
+ 22 13 11 27 27 31 33 34
+ 28 27 31 33 28 27 31 32
+ 28 27 29 30 29 27 31 33
+ 29 27 31 32 30 29 27 31
+ 31 33 34 35 31 33 34 36
+ 31 33 34 37 32 31 33 34
+ 33 34 37 38 34 37 38 41
+ 34 37 38 39 34 37 38 40
+ 35 34 37 38 36 34 37 38
+ 37 38 41 43 37 38 41 64
+ 37 38 41 42 38 41 43 44
+ 38 41 64 60 38 41 64 66
+ 38 41 64 65 39 38 41 43
+ 39 38 41 64 39 38 41 42
+ 40 38 41 43 40 38 41 64
+ 40 38 41 42 41 64 60 44
+ 41 64 60 62 41 64 60 61
+ 41 64 66 67 41 43 44 46
+ 41 43 44 60 41 43 44 45
+ 42 41 43 44 42 41 64 60
+ 42 41 64 66 42 41 64 65
+ 43 44 46 49 43 44 46 47
+ 43 44 60 64 43 44 60 62
+ 43 44 60 61 43 41 64 60
+ 43 41 64 66 43 41 64 65
+ 44 60 64 66 44 60 64 65
+ 44 60 62 63 44 46 49 51
+ 44 46 49 50 44 46 47 48
+ 44 46 47 55 44 43 41 64
+ 45 44 46 49 45 44 46 47
+ 45 44 60 64 45 44 60 62
+ 45 44 60 61 46 49 51 52
+ 46 49 51 53 46 47 55 53
+ 46 47 55 56 46 44 60 64
+ 46 44 60 62 46 44 60 61
+ 47 55 53 51 47 55 53 54
+ 47 55 56 57 47 55 56 58
+ 47 55 56 59 47 46 44 60
+ 47 46 49 51 47 46 49 50
+ 48 47 46 49 48 47 55 53
+ 48 47 55 56 49 51 53 55
+ 49 51 53 54 49 46 44 60
+ 49 46 47 55 50 49 51 52
+ 50 49 51 53 51 53 55 56
+ 52 51 53 55 52 51 53 54
+ 53 55 56 57 53 55 56 58
+ 53 55 56 59 54 53 55 56
+ 60 64 66 67 61 60 64 66
+ 61 60 64 65 61 60 62 63
+ 62 60 64 66 62 60 64 65
+ 63 62 60 64 64 66 67 68
+ 64 66 67 69 64 66 67 70
+ 65 64 66 67 66 67 70 71
+ 67 70 71 74 67 70 71 72
+ 67 70 71 73 68 67 70 71
+ 69 67 70 71 70 71 74 76
+ 70 71 74 95 70 71 74 75
+ 71 74 76 77 71 74 95 91
+ 71 74 95 97 71 74 95 96
+ 72 71 74 76 72 71 74 95
+ 72 71 74 75 73 71 74 76
+ 73 71 74 95 73 71 74 75
+ 74 95 91 77 74 95 91 93
+ 74 95 91 92 74 95 97 98
+ 74 76 77 79 74 76 77 91
+ 74 76 77 78 75 74 76 77
+ 75 74 95 91 75 74 95 97
+ 75 74 95 96 76 77 79 84
+ 76 77 79 80 76 77 91 95
+ 76 77 91 93 76 77 91 92
+ 76 74 95 91 76 74 95 97
+ 76 74 95 96 77 91 95 97
+ 77 91 95 96 77 91 93 94
+ 77 79 84 86 77 79 84 85
+ 77 79 80 81 77 79 80 82
+ 77 76 74 95 78 77 79 84
+ 78 77 79 80 78 77 91 95
+ 78 77 91 93 78 77 91 92
+ 79 84 86 87 79 80 82 87
+ 79 80 82 83 79 77 91 95
+ 79 77 91 93 79 77 91 92
+ 80 82 87 88 80 82 87 86
+ 80 79 77 91 80 79 84 86
+ 80 79 84 85 81 80 79 84
+ 81 80 82 87 81 80 82 83
+ 82 87 88 89 82 87 88 90
+ 82 87 86 84 82 80 79 84
+ 83 82 87 88 83 82 87 86
+ 84 86 87 88 84 79 77 91
+ 85 84 86 87 86 87 88 89
+ 86 87 88 90 91 95 97 98
+ 92 91 95 97 92 91 95 96
+ 92 91 93 94 93 91 95 97
+ 93 91 95 96 94 93 91 95
+ 95 97 98 99 95 97 98 100
+ 95 97 98 101 96 95 97 98
+ 97 98 101 102 98 101 102 105
+ 98 101 102 103 98 101 102 104
+ 99 98 101 102 100 98 101 102
+ 101 102 105 107 101 102 105 126
+ 101 102 105 106 102 105 107 108
+ 102 105 126 122 102 105 126 128
+ 102 105 126 127 103 102 105 107
+ 103 102 105 126 103 102 105 106
+ 104 102 105 107 104 102 105 126
+ 104 102 105 106 105 126 122 108
+ 105 126 122 124 105 126 122 123
+ 105 126 128 129 105 107 108 110
+ 105 107 108 122 105 107 108 109
+ 106 105 107 108 106 105 126 122
+ 106 105 126 128 106 105 126 127
+ 107 108 110 115 107 108 110 111
+ 107 108 122 126 107 108 122 124
+ 107 108 122 123 107 105 126 122
+ 107 105 126 128 107 105 126 127
+ 108 122 126 128 108 122 126 127
+ 108 122 124 125 108 110 115 117
+ 108 110 115 116 108 110 111 112
+ 108 110 111 113 108 107 105 126
+ 109 108 110 115 109 108 110 111
+ 109 108 122 126 109 108 122 124
+ 109 108 122 123 110 115 117 118
+ 110 111 113 118 110 111 113 114
+ 110 108 122 126 110 108 122 124
+ 110 108 122 123 111 113 118 119
+ 111 113 118 117 111 110 108 122
+ 111 110 115 117 111 110 115 116
+ 112 111 110 115 112 111 113 118
+ 112 111 113 114 113 118 119 120
+ 113 118 119 121 113 118 117 115
+ 113 111 110 115 114 113 118 119
+ 114 113 118 117 115 117 118 119
+ 115 110 108 122 116 115 117 118
+ 117 118 119 120 117 118 119 121
+ 122 126 128 129 123 122 126 128
+ 123 122 126 127 123 122 124 125
+ 124 122 126 128 124 122 126 127
+ 125 124 122 126 126 128 129 130
+ 126 128 129 131 126 128 129 132
+ 127 126 128 129 128 129 132 133
+ 129 132 133 136 129 132 133 134
+ 129 132 133 135 130 129 132 133
+ 131 129 132 133 132 133 136 138
+ 132 133 136 159 132 133 136 137
+ 133 136 138 139 133 136 159 155
+ 133 136 159 161 133 136 159 160
+ 134 133 136 138 134 133 136 159
+ 134 133 136 137 135 133 136 138
+ 135 133 136 159 135 133 136 137
+ 136 159 155 139 136 159 155 157
+ 136 159 155 156 136 159 161 162
+ 136 138 139 141 136 138 139 155
+ 136 138 139 140 137 136 138 139
+ 137 136 159 155 137 136 159 161
+ 137 136 159 160 138 139 141 144
+ 138 139 141 142 138 139 155 159
+ 138 139 155 157 138 139 155 156
+ 138 136 159 155 138 136 159 161
+ 138 136 159 160 139 155 159 161
+ 139 155 159 160 139 155 157 158
+ 139 141 144 146 139 141 144 145
+ 139 141 142 143 139 141 142 150
+ 139 138 136 159 140 139 141 144
+ 140 139 141 142 140 139 155 159
+ 140 139 155 157 140 139 155 156
+ 141 144 146 147 141 144 146 148
+ 141 142 150 148 141 142 150 151
+ 141 139 155 159 141 139 155 157
+ 141 139 155 156 142 150 148 146
+ 142 150 148 149 142 150 151 152
+ 142 150 151 153 142 150 151 154
+ 142 141 139 155 142 141 144 146
+ 142 141 144 145 143 142 141 144
+ 143 142 150 148 143 142 150 151
+ 144 146 148 150 144 146 148 149
+ 144 141 139 155 144 141 142 150
+ 145 144 146 147 145 144 146 148
+ 146 148 150 151 147 146 148 150
+ 147 146 148 149 148 150 151 152
+ 148 150 151 153 148 150 151 154
+ 149 148 150 151 155 159 161 162
+ 156 155 159 161 156 155 159 160
+ 156 155 157 158 157 155 159 161
+ 157 155 159 160 158 157 155 159
+ 159 161 162 163 159 161 162 164
+ 159 161 162 165 160 159 161 162
+ 161 162 165 166 162 165 166 169
+ 162 165 166 167 162 165 166 168
+ 163 162 165 166 164 162 165 166
+ 165 166 169 171 165 166 169 192
+ 165 166 169 170 166 169 171 172
+ 166 169 192 188 166 169 192 194
+ 166 169 192 193 167 166 169 171
+ 167 166 169 192 167 166 169 170
+ 168 166 169 171 168 166 169 192
+ 168 166 169 170 169 192 188 172
+ 169 192 188 190 169 192 188 189
+ 169 192 194 195 169 171 172 174
+ 169 171 172 188 169 171 172 173
+ 170 169 171 172 170 169 192 188
+ 170 169 192 194 170 169 192 193
+ 171 172 174 183 171 172 174 177
+ 171 172 188 192 171 172 188 190
+ 171 172 188 189 171 169 192 188
+ 171 169 192 194 171 169 192 193
+ 172 188 192 194 172 188 192 193
+ 172 188 190 191 172 174 183 182
+ 172 174 183 175 172 174 177 178
+ 172 174 177 176 172 171 169 192
+ 173 172 174 183 173 172 174 177
+ 173 172 188 192 173 172 188 190
+ 173 172 188 189 174 183 182 180
+ 174 183 175 184 174 183 175 176
+ 174 177 176 175 174 172 188 192
+ 174 172 188 190 174 172 188 189
+ 175 184 185 186 175 184 185 187
+ 175 184 179 180 175 183 174 177
+ 175 183 182 180 175 176 177 178
+ 176 177 174 183 176 175 184 185
+ 176 175 184 179 176 175 183 182
+ 177 176 175 184 177 176 175 183
+ 177 174 172 188 177 174 183 182
+ 178 177 174 183 179 184 185 186
+ 179 184 185 187 179 184 175 183
+ 179 180 182 183 180 179 184 185
+ 181 180 179 184 181 180 182 183
+ 182 183 175 184 182 180 179 184
+ 183 175 184 185 183 174 172 188
+ 188 192 194 195 189 188 192 194
+ 189 188 192 193 189 188 190 191
+ 190 188 192 194 190 188 192 193
+ 191 190 188 192 192 194 195 196
+ 192 194 195 197 192 194 195 198
+ 193 192 194 195 194 195 198 199
+ 195 198 199 202 195 198 199 200
+ 195 198 199 201 196 195 198 199
+ 197 195 198 199 198 199 202 204
+ 198 199 202 226 198 199 202 203
+ 199 202 204 205 199 202 226 222
+ 199 202 226 228 199 202 226 227
+ 200 199 202 204 200 199 202 226
+ 200 199 202 203 201 199 202 204
+ 201 199 202 226 201 199 202 203
+ 202 226 222 205 202 226 222 224
+ 202 226 222 223 202 226 228 229
+ 202 204 205 207 202 204 205 222
+ 202 204 205 206 203 202 204 205
+ 203 202 226 222 203 202 226 228
+ 203 202 226 227 204 205 207 208
+ 204 205 207 220 204 205 222 226
+ 204 205 222 224 204 205 222 223
+ 204 202 226 222 204 202 226 228
+ 204 202 226 227 205 222 226 228
+ 205 222 226 227 205 222 224 225
+ 205 207 208 212 205 207 208 218
+ 205 207 220 221 205 207 220 219
+ 205 204 202 226 206 205 207 208
+ 206 205 207 220 206 205 222 226
+ 206 205 222 224 206 205 222 223
+ 207 220 219 218 207 208 212 213
+ 207 208 218 216 207 208 218 219
+ 207 205 222 226 207 205 222 224
+ 207 205 222 223 208 218 216 214
+ 208 218 216 217 208 218 219 220
+ 208 212 213 209 208 212 213 214
+ 208 207 205 222 208 207 220 221
+ 208 207 220 219 209 213 214 215
+ 209 213 214 216 210 209 213 214
+ 210 209 213 212 211 209 213 214
+ 211 209 213 212 212 213 214 215
+ 212 213 214 216 212 208 207 220
+ 212 208 218 216 212 208 218 219
+ 213 214 216 218 213 214 216 217
+ 213 212 208 218 214 216 218 219
+ 215 214 216 218 215 214 216 217
+ 216 218 219 220 217 216 218 219
+ 218 219 220 221 218 208 207 220
+ 220 207 205 222 222 226 228 229
+ 223 222 226 228 223 222 226 227
+ 223 222 224 225 224 222 226 228
+ 224 222 226 227 225 224 222 226
+ 226 228 229 230 226 228 229 231
+ 226 228 229 232 227 226 228 229
+ 228 229 232 233 229 232 233 236
+ 229 232 233 234 229 232 233 235
+ 230 229 232 233 231 229 232 233
+ 232 233 236 238 232 233 236 259
+ 232 233 236 237 233 236 238 239
+ 233 236 259 255 233 236 259 261
+ 233 236 259 260 234 233 236 238
+ 234 233 236 259 234 233 236 237
+ 235 233 236 238 235 233 236 259
+ 235 233 236 237 236 259 255 239
+ 236 259 255 257 236 259 255 256
+ 236 259 261 262 236 238 239 241
+ 236 238 239 255 236 238 239 240
+ 237 236 238 239 237 236 259 255
+ 237 236 259 261 237 236 259 260
+ 238 239 241 244 238 239 241 242
+ 238 239 255 259 238 239 255 257
+ 238 239 255 256 238 236 259 255
+ 238 236 259 261 238 236 259 260
+ 239 255 259 261 239 255 259 260
+ 239 255 257 258 239 241 244 246
+ 239 241 244 245 239 241 242 243
+ 239 241 242 250 239 238 236 259
+ 240 239 241 244 240 239 241 242
+ 240 239 255 259 240 239 255 257
+ 240 239 255 256 241 244 246 247
+ 241 244 246 248 241 242 250 248
+ 241 242 250 251 241 239 255 259
+ 241 239 255 257 241 239 255 256
+ 242 250 248 246 242 250 248 249
+ 242 250 251 252 242 250 251 253
+ 242 250 251 254 242 241 239 255
+ 242 241 244 246 242 241 244 245
+ 243 242 241 244 243 242 250 248
+ 243 242 250 251 244 246 248 250
+ 244 246 248 249 244 241 239 255
+ 244 241 242 250 245 244 246 247
+ 245 244 246 248 246 248 250 251
+ 247 246 248 250 247 246 248 249
+ 248 250 251 252 248 250 251 253
+ 248 250 251 254 249 248 250 251
+ 255 259 261 262 256 255 259 261
+ 256 255 259 260 256 255 257 258
+ 257 255 259 261 257 255 259 260
+ 258 257 255 259 259 261 262 263
+ 259 261 262 264 259 261 262 265
+ 260 259 261 262 261 262 265 266
+ 262 265 266 269 262 265 266 267
+ 262 265 266 268 263 262 265 266
+ 264 262 265 266 265 266 269 271
+ 265 266 269 292 265 266 269 270
+ 266 269 271 272 266 269 292 288
+ 266 269 292 294 266 269 292 293
+ 267 266 269 271 267 266 269 292
+ 267 266 269 270 268 266 269 271
+ 268 266 269 292 268 266 269 270
+ 269 292 288 272 269 292 288 290
+ 269 292 288 289 269 292 294 295
+ 269 271 272 274 269 271 272 288
+ 269 271 272 273 270 269 271 272
+ 270 269 292 288 270 269 292 294
+ 270 269 292 293 271 272 274 277
+ 271 272 274 275 271 272 288 292
+ 271 272 288 290 271 272 288 289
+ 271 269 292 288 271 269 292 294
+ 271 269 292 293 272 288 292 294
+ 272 288 292 293 272 288 290 291
+ 272 274 277 279 272 274 277 278
+ 272 274 275 276 272 274 275 283
+ 272 271 269 292 273 272 274 277
+ 273 272 274 275 273 272 288 292
+ 273 272 288 290 273 272 288 289
+ 274 277 279 280 274 277 279 281
+ 274 275 283 281 274 275 283 284
+ 274 272 288 292 274 272 288 290
+ 274 272 288 289 275 283 281 279
+ 275 283 281 282 275 283 284 285
+ 275 283 284 286 275 283 284 287
+ 275 274 272 288 275 274 277 279
+ 275 274 277 278 276 275 274 277
+ 276 275 283 281 276 275 283 284
+ 277 279 281 283 277 279 281 282
+ 277 274 272 288 277 274 275 283
+ 278 277 279 280 278 277 279 281
+ 279 281 283 284 280 279 281 283
+ 280 279 281 282 281 283 284 285
+ 281 283 284 286 281 283 284 287
+ 282 281 283 284 288 292 294 295
+ 289 288 292 294 289 288 292 293
+ 289 288 290 291 290 288 292 294
+ 290 288 292 293 291 290 288 292
+ 292 294 295 296 292 294 295 297
+ 292 294 295 298 293 292 294 295
+ 294 295 298 299 295 298 299 302
+ 295 298 299 300 295 298 299 301
+ 296 295 298 299 297 295 298 299
+ 298 299 302 304 298 299 302 325
+ 298 299 302 303 299 302 304 305
+ 299 302 325 321 299 302 325 327
+ 299 302 325 326 300 299 302 304
+ 300 299 302 325 300 299 302 303
+ 301 299 302 304 301 299 302 325
+ 301 299 302 303 302 325 321 305
+ 302 325 321 323 302 325 321 322
+ 302 325 327 328 302 304 305 307
+ 302 304 305 321 302 304 305 306
+ 303 302 304 305 303 302 325 321
+ 303 302 325 327 303 302 325 326
+ 304 305 307 316 304 305 307 310
+ 304 305 321 325 304 305 321 323
+ 304 305 321 322 304 302 325 321
+ 304 302 325 327 304 302 325 326
+ 305 321 325 327 305 321 325 326
+ 305 321 323 324 305 307 316 315
+ 305 307 316 308 305 307 310 311
+ 305 307 310 309 305 304 302 325
+ 306 305 307 316 306 305 307 310
+ 306 305 321 325 306 305 321 323
+ 306 305 321 322 307 316 315 313
+ 307 316 308 317 307 316 308 309
+ 307 310 309 308 307 305 321 325
+ 307 305 321 323 307 305 321 322
+ 308 317 318 319 308 317 318 320
+ 308 317 312 313 308 316 307 310
+ 308 316 315 313 308 309 310 311
+ 309 310 307 316 309 308 317 318
+ 309 308 317 312 309 308 316 315
+ 310 309 308 317 310 309 308 316
+ 310 307 305 321 310 307 316 315
+ 311 310 307 316 312 317 318 319
+ 312 317 318 320 312 317 308 316
+ 312 313 315 316 313 312 317 318
+ 314 313 312 317 314 313 315 316
+ 315 316 308 317 315 313 312 317
+ 316 308 317 318 316 307 305 321
+ 321 325 327 328 322 321 325 327
+ 322 321 325 326 322 321 323 324
+ 323 321 325 327 323 321 325 326
+ 324 323 321 325 325 327 328 329
+ 325 327 328 330 325 327 328 331
+ 326 325 327 328 327 328 331 332
+ 328 331 332 335 328 331 332 333
+ 328 331 332 334 329 328 331 332
+ 330 328 331 332 331 332 335 337
+ 331 332 335 358 331 332 335 336
+ 332 335 337 338 332 335 358 354
+ 332 335 358 360 332 335 358 359
+ 333 332 335 337 333 332 335 358
+ 333 332 335 336 334 332 335 337
+ 334 332 335 358 334 332 335 336
+ 335 358 354 338 335 358 354 356
+ 335 358 354 355 335 358 360 361
+ 335 337 338 340 335 337 338 354
+ 335 337 338 339 336 335 337 338
+ 336 335 358 354 336 335 358 360
+ 336 335 358 359 337 338 340 343
+ 337 338 340 341 337 338 354 358
+ 337 338 354 356 337 338 354 355
+ 337 335 358 354 337 335 358 360
+ 337 335 358 359 338 354 358 360
+ 338 354 358 359 338 354 356 357
+ 338 340 343 345 338 340 343 344
+ 338 340 341 342 338 340 341 349
+ 338 337 335 358 339 338 340 343
+ 339 338 340 341 339 338 354 358
+ 339 338 354 356 339 338 354 355
+ 340 343 345 346 340 343 345 347
+ 340 341 349 347 340 341 349 350
+ 340 338 354 358 340 338 354 356
+ 340 338 354 355 341 349 347 345
+ 341 349 347 348 341 349 350 351
+ 341 349 350 352 341 349 350 353
+ 341 340 338 354 341 340 343 345
+ 341 340 343 344 342 341 340 343
+ 342 341 349 347 342 341 349 350
+ 343 345 347 349 343 345 347 348
+ 343 340 338 354 343 340 341 349
+ 344 343 345 346 344 343 345 347
+ 345 347 349 350 346 345 347 349
+ 346 345 347 348 347 349 350 351
+ 347 349 350 352 347 349 350 353
+ 348 347 349 350 354 358 360 361
+ 355 354 358 360 355 354 358 359
+ 355 354 356 357 356 354 358 360
+ 356 354 358 359 357 356 354 358
+ 358 360 361 362 358 360 361 363
+ 358 360 361 364 359 358 360 361
+ 360 361 364 365 361 364 365 368
+ 361 364 365 366 361 364 365 367
+ 362 361 364 365 363 361 364 365
+ 364 365 368 370 364 365 368 391
+ 364 365 368 369 365 368 370 371
+ 365 368 391 387 365 368 391 393
+ 365 368 391 392 366 365 368 370
+ 366 365 368 391 366 365 368 369
+ 367 365 368 370 367 365 368 391
+ 367 365 368 369 368 391 387 371
+ 368 391 387 389 368 391 387 388
+ 368 391 393 394 368 370 371 373
+ 368 370 371 387 368 370 371 372
+ 369 368 370 371 369 368 391 387
+ 369 368 391 393 369 368 391 392
+ 370 371 373 382 370 371 373 376
+ 370 371 387 391 370 371 387 389
+ 370 371 387 388 370 368 391 387
+ 370 368 391 393 370 368 391 392
+ 371 387 391 393 371 387 391 392
+ 371 387 389 390 371 373 382 381
+ 371 373 382 374 371 373 376 377
+ 371 373 376 375 371 370 368 391
+ 372 371 373 382 372 371 373 376
+ 372 371 387 391 372 371 387 389
+ 372 371 387 388 373 382 381 379
+ 373 382 374 383 373 382 374 375
+ 373 376 375 374 373 371 387 391
+ 373 371 387 389 373 371 387 388
+ 374 383 384 385 374 383 384 386
+ 374 383 378 379 374 382 373 376
+ 374 382 381 379 374 375 376 377
+ 375 376 373 382 375 374 383 384
+ 375 374 383 378 375 374 382 381
+ 376 375 374 383 376 375 374 382
+ 376 373 371 387 376 373 382 381
+ 377 376 373 382 378 383 384 385
+ 378 383 384 386 378 383 374 382
+ 378 379 381 382 379 378 383 384
+ 380 379 378 383 380 379 381 382
+ 381 382 374 383 381 379 378 383
+ 382 374 383 384 382 373 371 387
+ 387 391 393 394 388 387 391 393
+ 388 387 391 392 388 387 389 390
+ 389 387 391 393 389 387 391 392
+ 390 389 387 391 391 393 394 395
+ 391 393 394 396 391 393 394 397
+ 392 391 393 394 393 394 397 398
+ 394 397 398 401 394 397 398 399
+ 394 397 398 400 395 394 397 398
+ 396 394 397 398 397 398 401 403
+ 397 398 401 425 397 398 401 402
+ 398 401 403 404 398 401 425 421
+ 398 401 425 427 398 401 425 426
+ 399 398 401 403 399 398 401 425
+ 399 398 401 402 400 398 401 403
+ 400 398 401 425 400 398 401 402
+ 401 425 421 404 401 425 421 423
+ 401 425 421 422 401 425 427 428
+ 401 403 404 406 401 403 404 421
+ 401 403 404 405 402 401 403 404
+ 402 401 425 421 402 401 425 427
+ 402 401 425 426 403 404 406 407
+ 403 404 406 419 403 404 421 425
+ 403 404 421 423 403 404 421 422
+ 403 401 425 421 403 401 425 427
+ 403 401 425 426 404 421 425 427
+ 404 421 425 426 404 421 423 424
+ 404 406 407 411 404 406 407 417
+ 404 406 419 420 404 406 419 418
+ 404 403 401 425 405 404 406 407
+ 405 404 406 419 405 404 421 425
+ 405 404 421 423 405 404 421 422
+ 406 419 418 417 406 407 411 412
+ 406 407 417 415 406 407 417 418
+ 406 404 421 425 406 404 421 423
+ 406 404 421 422 407 417 415 413
+ 407 417 415 416 407 417 418 419
+ 407 411 412 408 407 411 412 413
+ 407 406 404 421 407 406 419 420
+ 407 406 419 418 408 412 413 414
+ 408 412 413 415 409 408 412 413
+ 409 408 412 411 410 408 412 413
+ 410 408 412 411 411 412 413 414
+ 411 412 413 415 411 407 406 419
+ 411 407 417 415 411 407 417 418
+ 412 413 415 417 412 413 415 416
+ 412 411 407 417 413 415 417 418
+ 414 413 415 417 414 413 415 416
+ 415 417 418 419 416 415 417 418
+ 417 418 419 420 417 407 406 419
+ 419 406 404 421 421 425 427 428
+ 422 421 425 427 422 421 425 426
+ 422 421 423 424 423 421 425 427
+ 423 421 425 426 424 423 421 425
+ 425 427 428 429 425 427 428 430
+ 425 427 428 431 426 425 427 428
+ 427 428 431 432 428 431 432 435
+ 428 431 432 433 428 431 432 434
+ 429 428 431 432 430 428 431 432
+ 431 432 435 437 431 432 435 459
+ 431 432 435 436 432 435 437 438
+ 432 435 459 455 432 435 459 461
+ 432 435 459 460 433 432 435 437
+ 433 432 435 459 433 432 435 436
+ 434 432 435 437 434 432 435 459
+ 434 432 435 436 435 459 455 438
+ 435 459 455 457 435 459 455 456
+ 435 459 461 462 435 437 438 440
+ 435 437 438 455 435 437 438 439
+ 436 435 437 438 436 435 459 455
+ 436 435 459 461 436 435 459 460
+ 437 438 440 441 437 438 440 453
+ 437 438 455 459 437 438 455 457
+ 437 438 455 456 437 435 459 455
+ 437 435 459 461 437 435 459 460
+ 438 455 459 461 438 455 459 460
+ 438 455 457 458 438 440 441 445
+ 438 440 441 451 438 440 453 454
+ 438 440 453 452 438 437 435 459
+ 439 438 440 441 439 438 440 453
+ 439 438 455 459 439 438 455 457
+ 439 438 455 456 440 453 452 451
+ 440 441 445 446 440 441 451 449
+ 440 441 451 452 440 438 455 459
+ 440 438 455 457 440 438 455 456
+ 441 451 449 447 441 451 449 450
+ 441 451 452 453 441 445 446 442
+ 441 445 446 447 441 440 438 455
+ 441 440 453 454 441 440 453 452
+ 442 446 447 448 442 446 447 449
+ 443 442 446 447 443 442 446 445
+ 444 442 446 447 444 442 446 445
+ 445 446 447 448 445 446 447 449
+ 445 441 440 453 445 441 451 449
+ 445 441 451 452 446 447 449 451
+ 446 447 449 450 446 445 441 451
+ 447 449 451 452 448 447 449 451
+ 448 447 449 450 449 451 452 453
+ 450 449 451 452 451 452 453 454
+ 451 441 440 453 453 440 438 455
+ 455 459 461 462 456 455 459 461
+ 456 455 459 460 456 455 457 458
+ 457 455 459 461 457 455 459 460
+ 458 457 455 459 459 461 462 463
+ 459 461 462 464 459 461 462 465
+ 460 459 461 462 461 462 465 466
+ 462 465 466 469 462 465 466 467
+ 462 465 466 468 463 462 465 466
+ 464 462 465 466 465 466 469 471
+ 465 466 469 492 465 466 469 470
+ 466 469 471 472 466 469 492 488
+ 466 469 492 494 466 469 492 493
+ 467 466 469 471 467 466 469 492
+ 467 466 469 470 468 466 469 471
+ 468 466 469 492 468 466 469 470
+ 469 492 488 472 469 492 488 490
+ 469 492 488 489 469 492 494 495
+ 469 471 472 474 469 471 472 488
+ 469 471 472 473 470 469 471 472
+ 470 469 492 488 470 469 492 494
+ 470 469 492 493 471 472 474 483
+ 471 472 474 477 471 472 488 492
+ 471 472 488 490 471 472 488 489
+ 471 469 492 488 471 469 492 494
+ 471 469 492 493 472 488 492 494
+ 472 488 492 493 472 488 490 491
+ 472 474 483 482 472 474 483 475
+ 472 474 477 478 472 474 477 476
+ 472 471 469 492 473 472 474 483
+ 473 472 474 477 473 472 488 492
+ 473 472 488 490 473 472 488 489
+ 474 483 482 480 474 483 475 484
+ 474 483 475 476 474 477 476 475
+ 474 472 488 492 474 472 488 490
+ 474 472 488 489 475 484 485 486
+ 475 484 485 487 475 484 479 480
+ 475 483 474 477 475 483 482 480
+ 475 476 477 478 476 477 474 483
+ 476 475 484 485 476 475 484 479
+ 476 475 483 482 477 476 475 484
+ 477 476 475 483 477 474 472 488
+ 477 474 483 482 478 477 474 483
+ 479 484 485 486 479 484 485 487
+ 479 484 475 483 479 480 482 483
+ 480 479 484 485 481 480 479 484
+ 481 480 482 483 482 483 475 484
+ 482 480 479 484 483 475 484 485
+ 483 474 472 488 488 492 494 495
+ 489 488 492 494 489 488 492 493
+ 489 488 490 491 490 488 492 494
+ 490 488 492 493 491 490 488 492
+ 492 494 495 496 492 494 495 497
+ 492 494 495 498 493 492 494 495
+ 494 495 498 499 495 498 499 502
+ 495 498 499 500 495 498 499 501
+ 496 495 498 499 497 495 498 499
+ 498 499 502 504 498 499 502 525
+ 498 499 502 503 499 502 504 505
+ 499 502 525 521 499 502 525 527
+ 499 502 525 526 500 499 502 504
+ 500 499 502 525 500 499 502 503
+ 501 499 502 504 501 499 502 525
+ 501 499 502 503 502 525 521 505
+ 502 525 521 523 502 525 521 522
+ 502 504 505 507 502 504 505 521
+ 502 504 505 506 503 502 504 505
+ 503 502 525 521 503 502 525 527
+ 503 502 525 526 504 505 507 510
+ 504 505 507 508 504 505 521 525
+ 504 505 521 523 504 505 521 522
+ 504 502 525 521 504 502 525 527
+ 504 502 525 526 505 521 525 527
+ 505 521 525 526 505 521 523 524
+ 505 507 510 512 505 507 510 511
+ 505 507 508 509 505 507 508 516
+ 505 504 502 525 506 505 507 510
+ 506 505 507 508 506 505 521 525
+ 506 505 521 523 506 505 521 522
+ 507 510 512 513 507 510 512 514
+ 507 508 516 514 507 508 516 517
+ 507 505 521 525 507 505 521 523
+ 507 505 521 522 508 516 514 512
+ 508 516 514 515 508 516 517 518
+ 508 516 517 519 508 516 517 520
+ 508 507 505 521 508 507 510 512
+ 508 507 510 511 509 508 507 510
+ 509 508 516 514 509 508 516 517
+ 510 512 514 516 510 512 514 515
+ 510 507 505 521 510 507 508 516
+ 511 510 512 513 511 510 512 514
+ 512 514 516 517 513 512 514 516
+ 513 512 514 515 514 516 517 518
+ 514 516 517 519 514 516 517 520
+ 515 514 516 517 522 521 525 527
+ 522 521 525 526 522 521 523 524
+ 523 521 525 527 523 521 525 526
+ 524 523 521 525
+
+ 43 !NIMPHI: impropers
+ 23 18 14 24 24 23 25 26
+ 49 46 51 50 53 51 55 54
+ 55 53 47 56 84 79 86 85
+ 87 86 82 88 88 87 89 90
+ 115 110 117 116 118 117 113 119
+ 119 118 120 121 144 141 146 145
+ 148 146 150 149 150 148 142 151
+ 184 179 175 185 185 184 186 187
+ 209 210 213 211 213 212 214 209
+ 216 214 218 217 244 241 246 245
+ 248 246 250 249 250 248 242 251
+ 277 274 279 278 281 279 283 282
+ 283 281 275 284 317 312 308 318
+ 318 317 319 320 343 340 345 344
+ 347 345 349 348 349 347 341 350
+ 383 378 374 384 384 383 385 386
+ 408 409 412 410 412 411 413 408
+ 415 413 417 416 442 443 446 444
+ 446 445 447 442 449 447 451 450
+ 484 479 475 485 485 484 486 487
+ 510 507 512 511 514 512 516 515
+ 516 514 508 517
diff --git a/tools/ch2lmp/example/1ac7_pared.pdb b/tools/ch2lmp/example/1ac7_pared.pdb
new file mode 100755
index 0000000000..6756ba6765
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7_pared.pdb
@@ -0,0 +1,540 @@
+HEADER DNA 14-FEB-97 XXXX
+TITLE STRUCTURAL FEATURES OF THE DNA HAIRPIN D(ATCCTAGTTATAGGAT):
+TITLE 2 THE FORMATION OF A G-A BASE PAIR IN THE LOOP, NMR, 10
+TITLE 3 STRUCTURES
+COMPND 5'-D(*AP*TP*CP*CP*TP*AP*GP*TP*TP*AP*TP*AP*GP*GP*AP*T)-3'
+KEYWDS DEOXYRIBONUCLEIC ACID
+EXPDTA NMR, 10 STRUCTURES
+AUTHOR M.J.P.VAN DONGEN, M.M.W.MOOREN, E.F.A.WILLEMS, G.A.VAN DER
+AUTHOR 2 MAREL, J.H.VAN BOOM, S.S.WIJMENGA, C.W.HILBERS
+JRNL AUTH M.J.VAN DONGEN, M.M.MOOREN, E.F.WILLEMS,
+JRNL AUTH 2 G.A.VAN DER MAREL, J.H.VAN BOOM, S.S.WIJMENGA,
+JRNL AUTH 3 C.W.HILBERS
+JRNL TITL STRUCTURAL FEATURES OF THE DNA HAIRPIN
+JRNL TITL 2 D(ATCCTA-GTTA-TAGGAT): FORMATION OF A G-A BASE
+JRNL TITL 3 PAIR IN THE LOOP
+JRNL REF NUCLEIC ACIDS RES. V. 25 1537 1997
+JRNL REFN ASTM NARHAD UK ISSN 0305-1048
+REMARK 1
+SEQRES 1 A 16 A T C C T A G T T A T A G
+SEQRES 2 A 16 G A T
+CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
+ORIGX1 1.000000 0.000000 0.000000 0.00000
+ORIGX2 0.000000 1.000000 0.000000 0.00000
+ORIGX3 0.000000 0.000000 1.000000 0.00000
+SCALE1 1.000000 0.000000 0.000000 0.00000
+SCALE2 0.000000 1.000000 0.000000 0.00000
+SCALE3 0.000000 0.000000 1.000000 0.00000
+MODEL 1
+ATOM 1 O5* A A 1 3.969 1.972 -0.393 1.00 0.00 O
+ATOM 2 C5* A A 1 5.044 2.279 -1.290 1.00 0.00 C
+ATOM 3 C4* A A 1 5.648 3.651 -1.028 1.00 0.00 C
+ATOM 4 O4* A A 1 4.831 4.694 -1.619 1.00 0.00 O
+ATOM 5 C3* A A 1 5.735 3.930 0.467 1.00 0.00 C
+ATOM 6 O3* A A 1 7.011 4.478 0.823 1.00 0.00 O
+ATOM 7 C2* A A 1 4.646 4.918 0.727 1.00 0.00 C
+ATOM 8 C1* A A 1 4.388 5.605 -0.589 1.00 0.00 C
+ATOM 9 N9 A A 1 2.960 5.940 -0.745 1.00 0.00 N
+ATOM 10 C8 A A 1 1.887 5.123 -0.884 1.00 0.00 C
+ATOM 11 N7 A A 1 0.730 5.679 -1.026 1.00 0.00 N
+ATOM 12 C5 A A 1 1.063 7.037 -0.974 1.00 0.00 C
+ATOM 13 C6 A A 1 0.298 8.207 -1.063 1.00 0.00 C
+ATOM 14 N6 A A 1 -1.022 8.204 -1.236 1.00 0.00 N
+ATOM 15 N1 A A 1 0.950 9.380 -0.971 1.00 0.00 N
+ATOM 16 C2 A A 1 2.273 9.407 -0.803 1.00 0.00 C
+ATOM 17 N3 A A 1 3.091 8.365 -0.708 1.00 0.00 N
+ATOM 18 C4 A A 1 2.417 7.202 -0.802 1.00 0.00 C
+ATOM 19 1H5* A A 1 4.671 2.290 -2.305 1.00 0.00 H
+ATOM 20 2H5* A A 1 5.816 1.501 -1.189 1.00 0.00 H
+ATOM 21 H4* A A 1 6.646 3.694 -1.462 1.00 0.00 H
+ATOM 22 H3* A A 1 5.546 3.013 1.029 1.00 0.00 H
+ATOM 23 H1* A A 1 4.979 6.519 -0.638 1.00 0.00 H
+ATOM 24 H8 A A 1 1.997 4.038 -0.875 1.00 0.00 H
+ATOM 25 1H6 A A 1 -1.526 9.077 -1.294 1.00 0.00 H
+ATOM 26 2H6 A A 1 -1.520 7.328 -1.309 1.00 0.00 H
+ATOM 27 H2 A A 1 2.731 10.392 -0.730 1.00 0.00 H
+ATOM 28 1H2* A A 1 3.741 4.398 1.062 1.00 0.00 H
+ATOM 29 2H2* A A 1 4.989 5.649 1.459 1.00 0.00 H
+ATOM 30 H5T A A 1 3.298 1.508 -0.900 1.00 0.00 H
+ATOM 31 P T A 2 7.364 4.806 2.358 1.00 0.00 P
+ATOM 32 O1P T A 2 8.839 4.776 2.530 1.00 0.00 O
+ATOM 33 O2P T A 2 6.515 3.962 3.238 1.00 0.00 O
+ATOM 34 O5* T A 2 6.861 6.330 2.454 1.00 0.00 O
+ATOM 35 C5* T A 2 7.276 7.297 1.480 1.00 0.00 C
+ATOM 36 C4* T A 2 6.873 8.719 1.849 1.00 0.00 C
+ATOM 37 O4* T A 2 5.486 8.978 1.507 1.00 0.00 O
+ATOM 38 C3* T A 2 7.025 8.967 3.345 1.00 0.00 C
+ATOM 39 O3* T A 2 7.719 10.196 3.596 1.00 0.00 O
+ATOM 40 C2* T A 2 5.626 9.038 3.865 1.00 0.00 C
+ATOM 41 C1* T A 2 4.768 9.415 2.684 1.00 0.00 C
+ATOM 42 N1 T A 2 3.423 8.799 2.747 1.00 0.00 N
+ATOM 43 C2 T A 2 2.337 9.639 2.626 1.00 0.00 C
+ATOM 44 O2 T A 2 2.458 10.860 2.552 1.00 0.00 O
+ATOM 45 N3 T A 2 1.099 9.029 2.606 1.00 0.00 N
+ATOM 46 C4 T A 2 0.851 7.673 2.697 1.00 0.00 C
+ATOM 47 O4 T A 2 -0.302 7.243 2.661 1.00 0.00 O
+ATOM 48 C5 T A 2 2.045 6.871 2.827 1.00 0.00 C
+ATOM 49 C5M T A 2 1.928 5.354 2.910 1.00 0.00 C
+ATOM 50 C6 T A 2 3.266 7.442 2.852 1.00 0.00 C
+ATOM 51 1H5* T A 2 6.804 7.074 0.532 1.00 0.00 H
+ATOM 52 2H5* T A 2 8.368 7.233 1.371 1.00 0.00 H
+ATOM 53 H4* T A 2 7.506 9.419 1.306 1.00 0.00 H
+ATOM 54 H3* T A 2 7.553 8.132 3.808 1.00 0.00 H
+ATOM 55 1H2* T A 2 5.324 8.059 4.256 1.00 0.00 H
+ATOM 56 2H2* T A 2 5.564 9.815 4.630 1.00 0.00 H
+ATOM 57 H1* T A 2 4.665 10.500 2.653 1.00 0.00 H
+ATOM 58 H3 T A 2 0.308 9.625 2.509 1.00 0.00 H
+ATOM 59 1H5M T A 2 1.213 5.085 3.678 1.00 0.00 H
+ATOM 60 2H5M T A 2 2.903 4.926 3.150 1.00 0.00 H
+ATOM 61 3H5M T A 2 1.589 4.964 1.960 1.00 0.00 H
+ATOM 62 H6 T A 2 4.140 6.814 2.982 1.00 0.00 H
+ATOM 63 P C A 3 7.980 10.697 5.100 1.00 0.00 P
+ATOM 64 O1P C A 3 9.280 11.413 5.150 1.00 0.00 O
+ATOM 65 O2P C A 3 7.737 9.569 6.034 1.00 0.00 O
+ATOM 66 O5* C A 3 6.789 11.768 5.253 1.00 0.00 O
+ATOM 67 C5* C A 3 6.720 12.904 4.380 1.00 0.00 C
+ATOM 68 C4* C A 3 5.593 13.866 4.739 1.00 0.00 C
+ATOM 69 O4* C A 3 4.292 13.290 4.450 1.00 0.00 O
+ATOM 70 C3* C A 3 5.616 14.221 6.221 1.00 0.00 C
+ATOM 71 O3* C A 3 5.555 15.639 6.408 1.00 0.00 O
+ATOM 72 C2* C A 3 4.407 13.552 6.796 1.00 0.00 C
+ATOM 73 C1* C A 3 3.465 13.339 5.637 1.00 0.00 C
+ATOM 74 N1 C A 3 2.672 12.098 5.790 1.00 0.00 N
+ATOM 75 C2 C A 3 1.294 12.207 5.721 1.00 0.00 C
+ATOM 76 O2 C A 3 0.763 13.308 5.588 1.00 0.00 O
+ATOM 77 N3 C A 3 0.558 11.072 5.813 1.00 0.00 N
+ATOM 78 C4 C A 3 1.140 9.878 5.968 1.00 0.00 C
+ATOM 79 N4 C A 3 0.379 8.788 6.044 1.00 0.00 N
+ATOM 80 C5 C A 3 2.559 9.760 6.045 1.00 0.00 C
+ATOM 81 C6 C A 3 3.282 10.889 5.955 1.00 0.00 C
+ATOM 82 1H5* C A 3 6.534 12.568 3.369 1.00 0.00 H
+ATOM 83 2H5* C A 3 7.686 13.430 4.420 1.00 0.00 H
+ATOM 84 H4* C A 3 5.709 14.779 4.157 1.00 0.00 H
+ATOM 85 H3* C A 3 6.518 13.815 6.685 1.00 0.00 H
+ATOM 86 H1* C A 3 2.791 14.192 5.565 1.00 0.00 H
+ATOM 87 1H4 C A 3 0.806 7.880 6.157 1.00 0.00 H
+ATOM 88 2H4 C A 3 -0.626 8.869 5.991 1.00 0.00 H
+ATOM 89 H5 C A 3 3.039 8.789 6.164 1.00 0.00 H
+ATOM 90 H6 C A 3 4.365 10.840 6.032 1.00 0.00 H
+ATOM 91 1H2* C A 3 4.689 12.590 7.236 1.00 0.00 H
+ATOM 92 2H2* C A 3 3.940 14.214 7.534 1.00 0.00 H
+ATOM 93 P C A 4 5.538 16.275 7.882 1.00 0.00 P
+ATOM 94 O1P C A 4 6.177 17.615 7.835 1.00 0.00 O
+ATOM 95 O2P C A 4 6.033 15.266 8.851 1.00 0.00 O
+ATOM 96 O5* C A 4 3.955 16.462 8.083 1.00 0.00 O
+ATOM 97 C5* C A 4 3.157 17.011 7.025 1.00 0.00 C
+ATOM 98 C4* C A 4 1.722 17.289 7.449 1.00 0.00 C
+ATOM 99 O4* C A 4 0.888 16.113 7.280 1.00 0.00 O
+ATOM 100 C3* C A 4 1.648 17.697 8.914 1.00 0.00 C
+ATOM 101 O3* C A 4 0.881 18.892 9.085 1.00 0.00 O
+ATOM 102 C2* C A 4 0.992 16.545 9.602 1.00 0.00 C
+ATOM 103 C1* C A 4 0.232 15.803 8.531 1.00 0.00 C
+ATOM 104 N1 C A 4 0.215 14.343 8.782 1.00 0.00 N
+ATOM 105 C2 C A 4 -1.018 13.712 8.800 1.00 0.00 C
+ATOM 106 O2 C A 4 -2.050 14.359 8.636 1.00 0.00 O
+ATOM 107 N3 C A 4 -1.049 12.370 9.003 1.00 0.00 N
+ATOM 108 C4 C A 4 0.078 11.668 9.183 1.00 0.00 C
+ATOM 109 N4 C A 4 0.010 10.348 9.372 1.00 0.00 N
+ATOM 110 C5 C A 4 1.351 12.313 9.169 1.00 0.00 C
+ATOM 111 C6 C A 4 1.375 13.644 8.967 1.00 0.00 C
+ATOM 112 1H5* C A 4 3.112 16.305 6.208 1.00 0.00 H
+ATOM 113 2H5* C A 4 3.632 17.942 6.682 1.00 0.00 H
+ATOM 114 H4* C A 4 1.321 18.095 6.835 1.00 0.00 H
+ATOM 115 H3* C A 4 2.656 17.837 9.310 1.00 0.00 H
+ATOM 116 H1* C A 4 -0.791 16.175 8.498 1.00 0.00 H
+ATOM 117 1H4 C A 4 0.855 9.814 9.502 1.00 0.00 H
+ATOM 118 2H4 C A 4 -0.885 9.881 9.386 1.00 0.00 H
+ATOM 119 H5 C A 4 2.272 11.748 9.314 1.00 0.00 H
+ATOM 120 H6 C A 4 2.327 14.165 8.951 1.00 0.00 H
+ATOM 121 1H2* C A 4 1.751 15.896 10.049 1.00 0.00 H
+ATOM 122 2H2* C A 4 0.293 16.923 10.350 1.00 0.00 H
+ATOM 123 P T A 5 0.647 19.496 10.554 1.00 0.00 P
+ATOM 124 O1P T A 5 0.561 20.975 10.457 1.00 0.00 O
+ATOM 125 O2P T A 5 1.626 18.884 11.487 1.00 0.00 O
+ATOM 126 O5* T A 5 -0.815 18.907 10.868 1.00 0.00 O
+ATOM 127 C5* T A 5 -1.928 19.273 10.041 1.00 0.00 C
+ATOM 128 C4* T A 5 -3.200 18.507 10.381 1.00 0.00 C
+ATOM 129 O4* T A 5 -2.989 17.071 10.326 1.00 0.00 O
+ATOM 130 C3* T A 5 -3.691 18.844 11.781 1.00 0.00 C
+ATOM 131 O3* T A 5 -5.077 19.199 11.761 1.00 0.00 O
+ATOM 132 C2* T A 5 -3.465 17.594 12.579 1.00 0.00 C
+ATOM 133 C1* T A 5 -3.410 16.473 11.574 1.00 0.00 C
+ATOM 134 N1 T A 5 -2.482 15.396 11.992 1.00 0.00 N
+ATOM 135 C2 T A 5 -3.000 14.117 12.096 1.00 0.00 C
+ATOM 136 O2 T A 5 -4.196 13.881 11.943 1.00 0.00 O
+ATOM 137 N3 T A 5 -2.094 13.117 12.403 1.00 0.00 N
+ATOM 138 C4 T A 5 -0.742 13.280 12.614 1.00 0.00 C
+ATOM 139 O4 T A 5 -0.032 12.308 12.873 1.00 0.00 O
+ATOM 140 C5 T A 5 -0.289 14.648 12.492 1.00 0.00 C
+ATOM 141 C5M T A 5 1.191 14.967 12.669 1.00 0.00 C
+ATOM 142 C6 T A 5 -1.153 15.644 12.196 1.00 0.00 C
+ATOM 143 1H5* T A 5 -1.694 19.051 9.009 1.00 0.00 H
+ATOM 144 2H5* T A 5 -2.101 20.352 10.155 1.00 0.00 H
+ATOM 145 H4* T A 5 -3.974 18.774 9.662 1.00 0.00 H
+ATOM 146 H3* T A 5 -3.096 19.660 12.197 1.00 0.00 H
+ATOM 147 1H2* T A 5 -2.511 17.661 13.116 1.00 0.00 H
+ATOM 148 2H2* T A 5 -4.306 17.435 13.264 1.00 0.00 H
+ATOM 149 H1* T A 5 -4.409 16.057 11.449 1.00 0.00 H
+ATOM 150 H3 T A 5 -2.449 12.182 12.472 1.00 0.00 H
+ATOM 151 1H5M T A 5 1.550 14.530 13.594 1.00 0.00 H
+ATOM 152 2H5M T A 5 1.333 16.047 12.693 1.00 0.00 H
+ATOM 153 3H5M T A 5 1.751 14.549 11.843 1.00 0.00 H
+ATOM 154 H6 T A 5 -0.790 16.668 12.147 1.00 0.00 H
+ATOM 155 P A A 6 -5.692 20.169 12.882 1.00 0.00 P
+ATOM 156 O1P A A 6 -6.683 21.072 12.244 1.00 0.00 O
+ATOM 157 O2P A A 6 -4.583 20.752 13.678 1.00 0.00 O
+ATOM 158 O5* A A 6 -6.471 19.094 13.785 1.00 0.00 O
+ATOM 159 C5* A A 6 -7.541 18.319 13.232 1.00 0.00 C
+ATOM 160 C4* A A 6 -7.985 17.203 14.162 1.00 0.00 C
+ATOM 161 O4* A A 6 -7.060 16.084 14.109 1.00 0.00 O
+ATOM 162 C3* A A 6 -8.041 17.687 15.608 1.00 0.00 C
+ATOM 163 O3* A A 6 -9.285 17.318 16.221 1.00 0.00 O
+ATOM 164 C2* A A 6 -6.890 17.001 16.274 1.00 0.00 C
+ATOM 165 C1* A A 6 -6.626 15.770 15.448 1.00 0.00 C
+ATOM 166 N9 A A 6 -5.206 15.361 15.499 1.00 0.00 N
+ATOM 167 C8 A A 6 -4.070 16.107 15.522 1.00 0.00 C
+ATOM 168 N7 A A 6 -2.949 15.480 15.662 1.00 0.00 N
+ATOM 169 C5 A A 6 -3.380 14.152 15.741 1.00 0.00 C
+ATOM 170 C6 A A 6 -2.701 12.939 15.900 1.00 0.00 C
+ATOM 171 N6 A A 6 -1.379 12.855 16.045 1.00 0.00 N
+ATOM 172 N1 A A 6 -3.441 11.818 15.931 1.00 0.00 N
+ATOM 173 C2 A A 6 -4.769 11.882 15.816 1.00 0.00 C
+ATOM 174 N3 A A 6 -5.509 12.969 15.668 1.00 0.00 N
+ATOM 175 C4 A A 6 -4.749 14.077 15.638 1.00 0.00 C
+ATOM 176 1H5* A A 6 -7.211 17.850 12.315 1.00 0.00 H
+ATOM 177 2H5* A A 6 -8.386 18.991 13.021 1.00 0.00 H
+ATOM 178 H4* A A 6 -8.974 16.858 13.863 1.00 0.00 H
+ATOM 179 H3* A A 6 -7.903 18.770 15.646 1.00 0.00 H
+ATOM 180 H1* A A 6 -7.241 14.954 15.831 1.00 0.00 H
+ATOM 181 H8 A A 6 -4.100 17.190 15.422 1.00 0.00 H
+ATOM 182 1H6 A A 6 -0.941 11.951 16.157 1.00 0.00 H
+ATOM 183 2H6 A A 6 -0.816 13.693 16.045 1.00 0.00 H
+ATOM 184 H2 A A 6 -5.306 10.937 15.837 1.00 0.00 H
+ATOM 185 1H2* A A 6 -6.014 17.659 16.261 1.00 0.00 H
+ATOM 186 2H2* A A 6 -7.162 16.715 17.291 1.00 0.00 H
+ATOM 187 P G A 7 -9.843 18.105 17.507 1.00 0.00 P
+ATOM 188 O1P G A 7 -11.229 18.561 17.226 1.00 0.00 O
+ATOM 189 O2P G A 7 -8.828 19.100 17.939 1.00 0.00 O
+ATOM 190 O5* G A 7 -9.897 16.910 18.585 1.00 0.00 O
+ATOM 191 C5* G A 7 -10.177 15.560 18.181 1.00 0.00 C
+ATOM 192 C4* G A 7 -9.561 14.522 19.125 1.00 0.00 C
+ATOM 193 O4* G A 7 -8.133 14.405 18.887 1.00 0.00 O
+ATOM 194 C3* G A 7 -9.744 14.878 20.608 1.00 0.00 C
+ATOM 195 O3* G A 7 -10.214 13.747 21.352 1.00 0.00 O
+ATOM 196 C2* G A 7 -8.383 15.282 21.074 1.00 0.00 C
+ATOM 197 C1* G A 7 -7.410 14.638 20.119 1.00 0.00 C
+ATOM 198 N9 G A 7 -6.233 15.500 19.896 1.00 0.00 N
+ATOM 199 C8 G A 7 -6.168 16.829 19.630 1.00 0.00 C
+ATOM 200 N7 G A 7 -4.998 17.354 19.481 1.00 0.00 N
+ATOM 201 C5 G A 7 -4.162 16.248 19.668 1.00 0.00 C
+ATOM 202 C6 G A 7 -2.744 16.163 19.632 1.00 0.00 C
+ATOM 203 O6 G A 7 -1.932 17.060 19.420 1.00 0.00 O
+ATOM 204 N1 G A 7 -2.305 14.867 19.874 1.00 0.00 N
+ATOM 205 C2 G A 7 -3.123 13.783 20.119 1.00 0.00 C
+ATOM 206 N2 G A 7 -2.510 12.617 20.326 1.00 0.00 N
+ATOM 207 N3 G A 7 -4.458 13.854 20.155 1.00 0.00 N
+ATOM 208 C4 G A 7 -4.911 15.108 19.923 1.00 0.00 C
+ATOM 209 1H5* G A 7 -9.745 15.381 17.207 1.00 0.00 H
+ATOM 210 2H5* G A 7 -11.270 15.426 18.114 1.00 0.00 H
+ATOM 211 H4* G A 7 -10.025 13.556 18.935 1.00 0.00 H
+ATOM 212 H3* G A 7 -10.429 15.719 20.727 1.00 0.00 H
+ATOM 213 H1* G A 7 -7.083 13.684 20.529 1.00 0.00 H
+ATOM 214 H8 G A 7 -7.071 17.433 19.552 1.00 0.00 H
+ATOM 215 H1 G A 7 -1.305 14.730 19.867 1.00 0.00 H
+ATOM 216 1H2 G A 7 -1.501 12.565 20.299 1.00 0.00 H
+ATOM 217 2H2 G A 7 -3.053 11.785 20.505 1.00 0.00 H
+ATOM 218 1H2* G A 7 -8.286 16.373 21.035 1.00 0.00 H
+ATOM 219 2H2* G A 7 -8.214 14.899 22.086 1.00 0.00 H
+ATOM 220 P T A 8 -10.470 13.861 22.933 1.00 0.00 P
+ATOM 221 O1P T A 8 -11.662 13.049 23.287 1.00 0.00 O
+ATOM 222 O2P T A 8 -10.423 15.292 23.326 1.00 0.00 O
+ATOM 223 O5* T A 8 -9.152 13.125 23.489 1.00 0.00 O
+ATOM 224 C5* T A 8 -9.105 11.695 23.588 1.00 0.00 C
+ATOM 225 C4* T A 8 -7.687 11.168 23.791 1.00 0.00 C
+ATOM 226 O4* T A 8 -6.715 12.044 23.168 1.00 0.00 O
+ATOM 227 C3* T A 8 -7.326 11.065 25.272 1.00 0.00 C
+ATOM 228 O3* T A 8 -6.760 9.782 25.572 1.00 0.00 O
+ATOM 229 C2* T A 8 -6.324 12.155 25.493 1.00 0.00 C
+ATOM 230 C1* T A 8 -5.719 12.435 24.137 1.00 0.00 C
+ATOM 231 N1 T A 8 -5.347 13.860 23.988 1.00 0.00 N
+ATOM 232 C2 T A 8 -4.038 14.136 23.637 1.00 0.00 C
+ATOM 233 O2 T A 8 -3.212 13.247 23.443 1.00 0.00 O
+ATOM 234 N3 T A 8 -3.711 15.473 23.513 1.00 0.00 N
+ATOM 235 C4 T A 8 -4.564 16.543 23.707 1.00 0.00 C
+ATOM 236 O4 T A 8 -4.163 17.697 23.570 1.00 0.00 O
+ATOM 237 C5 T A 8 -5.910 16.163 24.071 1.00 0.00 C
+ATOM 238 C5M T A 8 -6.952 17.250 24.322 1.00 0.00 C
+ATOM 239 C6 T A 8 -6.259 14.865 24.197 1.00 0.00 C
+ATOM 240 1H5* T A 8 -9.468 11.262 22.666 1.00 0.00 H
+ATOM 241 2H5* T A 8 -9.754 11.381 24.418 1.00 0.00 H
+ATOM 242 H4* T A 8 -7.609 10.181 23.338 1.00 0.00 H
+ATOM 243 H3* T A 8 -8.207 11.245 25.890 1.00 0.00 H
+ATOM 244 1H2* T A 8 -6.834 13.050 25.864 1.00 0.00 H
+ATOM 245 2H2* T A 8 -5.551 11.817 26.188 1.00 0.00 H
+ATOM 246 H1* T A 8 -4.826 11.809 24.000 1.00 0.00 H
+ATOM 247 H3 T A 8 -2.758 15.688 23.257 1.00 0.00 H
+ATOM 248 1H5M T A 8 -7.951 16.823 24.241 1.00 0.00 H
+ATOM 249 2H5M T A 8 -6.834 18.044 23.584 1.00 0.00 H
+ATOM 250 3H5M T A 8 -6.813 17.662 25.322 1.00 0.00 H
+ATOM 251 H6 T A 8 -7.285 14.614 24.463 1.00 0.00 H
+ATOM 252 P T A 9 -6.511 9.330 27.094 1.00 0.00 P
+ATOM 253 O1P T A 9 -6.391 7.851 27.145 1.00 0.00 O
+ATOM 254 O2P T A 9 -7.505 10.007 27.965 1.00 0.00 O
+ATOM 255 O5* T A 9 -5.064 9.980 27.352 1.00 0.00 O
+ATOM 256 C5* T A 9 -3.880 9.385 26.799 1.00 0.00 C
+ATOM 257 C4* T A 9 -3.160 10.317 25.831 1.00 0.00 C
+ATOM 258 O4* T A 9 -3.322 11.705 26.223 1.00 0.00 O
+ATOM 259 C3* T A 9 -1.667 10.028 25.792 1.00 0.00 C
+ATOM 260 O3* T A 9 -1.201 9.937 24.447 1.00 0.00 O
+ATOM 261 C2* T A 9 -1.031 11.183 26.492 1.00 0.00 C
+ATOM 262 C1* T A 9 -2.022 12.314 26.402 1.00 0.00 C
+ATOM 263 N1 T A 9 -1.980 13.144 27.620 1.00 0.00 N
+ATOM 264 C2 T A 9 -1.594 14.462 27.479 1.00 0.00 C
+ATOM 265 O2 T A 9 -1.304 14.946 26.388 1.00 0.00 O
+ATOM 266 N3 T A 9 -1.550 15.208 28.642 1.00 0.00 N
+ATOM 267 C4 T A 9 -1.856 14.754 29.913 1.00 0.00 C
+ATOM 268 O4 T A 9 -1.781 15.506 30.882 1.00 0.00 O
+ATOM 269 C5 T A 9 -2.250 13.364 29.961 1.00 0.00 C
+ATOM 270 C5M T A 9 -2.613 12.733 31.301 1.00 0.00 C
+ATOM 271 C6 T A 9 -2.301 12.617 28.841 1.00 0.00 C
+ATOM 272 1H5* T A 9 -4.151 8.500 26.239 1.00 0.00 H
+ATOM 273 2H5* T A 9 -3.212 9.106 27.628 1.00 0.00 H
+ATOM 274 H4* T A 9 -3.569 10.180 24.831 1.00 0.00 H
+ATOM 275 H3* T A 9 -1.452 9.104 26.331 1.00 0.00 H
+ATOM 276 1H2* T A 9 -0.850 10.929 27.544 1.00 0.00 H
+ATOM 277 2H2* T A 9 -0.104 11.461 25.976 1.00 0.00 H
+ATOM 278 H1* T A 9 -1.789 12.931 25.535 1.00 0.00 H
+ATOM 279 H3 T A 9 -1.266 16.173 28.556 1.00 0.00 H
+ATOM 280 1H5M T A 9 -3.440 13.282 31.750 1.00 0.00 H
+ATOM 281 2H5M T A 9 -1.749 12.768 31.965 1.00 0.00 H
+ATOM 282 3H5M T A 9 -2.907 11.695 31.144 1.00 0.00 H
+ATOM 283 H6 T A 9 -2.602 11.572 28.910 1.00 0.00 H
+ATOM 284 P A A 10 -0.315 8.688 23.992 1.00 0.00 P
+ATOM 285 O1P A A 10 0.551 8.277 25.125 1.00 0.00 O
+ATOM 286 O2P A A 10 0.304 8.985 22.676 1.00 0.00 O
+ATOM 287 O5* A A 10 -1.467 7.588 23.799 1.00 0.00 O
+ATOM 288 C5* A A 10 -1.147 6.209 23.981 1.00 0.00 C
+ATOM 289 C4* A A 10 -1.836 5.303 22.968 1.00 0.00 C
+ATOM 290 O4* A A 10 -3.058 5.912 22.482 1.00 0.00 O
+ATOM 291 C3* A A 10 -0.922 5.089 21.772 1.00 0.00 C
+ATOM 292 O3* A A 10 -1.116 3.794 21.200 1.00 0.00 O
+ATOM 293 C2* A A 10 -1.353 6.163 20.832 1.00 0.00 C
+ATOM 294 C1* A A 10 -2.814 6.401 21.156 1.00 0.00 C
+ATOM 295 N9 A A 10 -3.245 7.804 21.056 1.00 0.00 N
+ATOM 296 C8 A A 10 -2.525 8.939 21.164 1.00 0.00 C
+ATOM 297 N7 A A 10 -3.166 10.059 21.189 1.00 0.00 N
+ATOM 298 C5 A A 10 -4.488 9.625 21.105 1.00 0.00 C
+ATOM 299 C6 A A 10 -5.708 10.306 21.082 1.00 0.00 C
+ATOM 300 N6 A A 10 -5.798 11.634 21.109 1.00 0.00 N
+ATOM 301 N1 A A 10 -6.829 9.568 20.995 1.00 0.00 N
+ATOM 302 C2 A A 10 -6.756 8.238 20.930 1.00 0.00 C
+ATOM 303 N3 A A 10 -5.655 7.493 20.942 1.00 0.00 N
+ATOM 304 C4 A A 10 -4.547 8.257 21.031 1.00 0.00 C
+ATOM 305 1H5* A A 10 -1.499 5.914 24.943 1.00 0.00 H
+ATOM 306 2H5* A A 10 -0.058 6.091 23.938 1.00 0.00 H
+ATOM 307 H4* A A 10 -2.067 4.345 23.431 1.00 0.00 H
+ATOM 308 H3* A A 10 0.123 5.233 22.050 1.00 0.00 H
+ATOM 309 H1* A A 10 -3.405 5.820 20.462 1.00 0.00 H
+ATOM 310 H8 A A 10 -1.467 8.901 21.352 1.00 0.00 H
+ATOM 311 1H6 A A 10 -4.961 12.197 21.148 1.00 0.00 H
+ATOM 312 2H6 A A 10 -6.705 12.077 21.097 1.00 0.00 H
+ATOM 313 H2 A A 10 -7.703 7.703 20.862 1.00 0.00 H
+ATOM 314 1H2* A A 10 -0.763 7.061 21.013 1.00 0.00 H
+ATOM 315 2H2* A A 10 -1.255 5.812 19.797 1.00 0.00 H
+ATOM 316 P T A 11 -0.300 3.354 19.891 1.00 0.00 P
+ATOM 317 O1P T A 11 0.097 1.930 20.024 1.00 0.00 O
+ATOM 318 O2P T A 11 0.734 4.378 19.599 1.00 0.00 O
+ATOM 319 O5* T A 11 -1.473 3.469 18.803 1.00 0.00 O
+ATOM 320 C5* T A 11 -2.662 2.689 18.966 1.00 0.00 C
+ATOM 321 C4* T A 11 -3.851 3.245 18.197 1.00 0.00 C
+ATOM 322 O4* T A 11 -3.901 4.696 18.258 1.00 0.00 O
+ATOM 323 C3* T A 11 -3.793 2.852 16.729 1.00 0.00 C
+ATOM 324 O3* T A 11 -5.015 2.233 16.322 1.00 0.00 O
+ATOM 325 C2* T A 11 -3.564 4.136 15.992 1.00 0.00 C
+ATOM 326 C1* T A 11 -4.030 5.228 16.919 1.00 0.00 C
+ATOM 327 N1 T A 11 -3.239 6.466 16.744 1.00 0.00 N
+ATOM 328 C2 T A 11 -3.928 7.616 16.410 1.00 0.00 C
+ATOM 329 O2 T A 11 -5.147 7.627 16.255 1.00 0.00 O
+ATOM 330 N3 T A 11 -3.167 8.760 16.267 1.00 0.00 N
+ATOM 331 C4 T A 11 -1.796 8.854 16.430 1.00 0.00 C
+ATOM 332 O4 T A 11 -1.220 9.932 16.292 1.00 0.00 O
+ATOM 333 C5 T A 11 -1.161 7.602 16.776 1.00 0.00 C
+ATOM 334 C5M T A 11 0.348 7.560 16.990 1.00 0.00 C
+ATOM 335 C6 T A 11 -1.881 6.470 16.918 1.00 0.00 C
+ATOM 336 1H5* T A 11 -2.944 2.680 20.010 1.00 0.00 H
+ATOM 337 2H5* T A 11 -2.451 1.662 18.634 1.00 0.00 H
+ATOM 338 H4* T A 11 -4.766 2.847 18.632 1.00 0.00 H
+ATOM 339 H3* T A 11 -2.953 2.176 16.559 1.00 0.00 H
+ATOM 340 1H2* T A 11 -2.495 4.258 15.779 1.00 0.00 H
+ATOM 341 2H2* T A 11 -4.165 4.148 15.075 1.00 0.00 H
+ATOM 342 H1* T A 11 -5.080 5.439 16.719 1.00 0.00 H
+ATOM 343 H3 T A 11 -3.656 9.597 16.002 1.00 0.00 H
+ATOM 344 1H5M T A 11 0.804 8.445 16.550 1.00 0.00 H
+ATOM 345 2H5M T A 11 0.757 6.667 16.526 1.00 0.00 H
+ATOM 346 3H5M T A 11 0.561 7.538 18.049 1.00 0.00 H
+ATOM 347 H6 T A 11 -1.372 5.540 17.168 1.00 0.00 H
+ATOM 348 P A A 12 -5.221 1.752 14.807 1.00 0.00 P
+ATOM 349 O1P A A 12 -6.125 0.574 14.792 1.00 0.00 O
+ATOM 350 O2P A A 12 -3.895 1.663 14.146 1.00 0.00 O
+ATOM 351 O5* A A 12 -6.010 3.023 14.225 1.00 0.00 O
+ATOM 352 C5* A A 12 -7.077 3.615 14.980 1.00 0.00 C
+ATOM 353 C4* A A 12 -7.824 4.680 14.194 1.00 0.00 C
+ATOM 354 O4* A A 12 -7.144 5.958 14.280 1.00 0.00 O
+ATOM 355 C3* A A 12 -7.909 4.308 12.721 1.00 0.00 C
+ATOM 356 O3* A A 12 -9.231 4.514 12.212 1.00 0.00 O
+ATOM 357 C2* A A 12 -6.935 5.215 12.045 1.00 0.00 C
+ATOM 358 C1* A A 12 -6.790 6.408 12.952 1.00 0.00 C
+ATOM 359 N9 A A 12 -5.417 6.949 12.917 1.00 0.00 N
+ATOM 360 C8 A A 12 -4.226 6.316 13.057 1.00 0.00 C
+ATOM 361 N7 A A 12 -3.157 7.043 13.020 1.00 0.00 N
+ATOM 362 C5 A A 12 -3.693 8.321 12.830 1.00 0.00 C
+ATOM 363 C6 A A 12 -3.111 9.589 12.699 1.00 0.00 C
+ATOM 364 N6 A A 12 -1.795 9.805 12.753 1.00 0.00 N
+ATOM 365 N1 A A 12 -3.941 10.629 12.522 1.00 0.00 N
+ATOM 366 C2 A A 12 -5.257 10.448 12.476 1.00 0.00 C
+ATOM 367 N3 A A 12 -5.913 9.300 12.587 1.00 0.00 N
+ATOM 368 C4 A A 12 -5.067 8.268 12.764 1.00 0.00 C
+ATOM 369 1H5* A A 12 -6.670 4.100 15.857 1.00 0.00 H
+ATOM 370 2H5* A A 12 -7.769 2.818 15.287 1.00 0.00 H
+ATOM 371 H4* A A 12 -8.830 4.786 14.598 1.00 0.00 H
+ATOM 372 H3* A A 12 -7.606 3.268 12.582 1.00 0.00 H
+ATOM 373 H1* A A 12 -7.490 7.183 12.639 1.00 0.00 H
+ATOM 374 H8 A A 12 -4.171 5.237 13.186 1.00 0.00 H
+ATOM 375 1H6 A A 12 -1.162 9.032 12.894 1.00 0.00 H
+ATOM 376 2H6 A A 12 -1.429 10.745 12.648 1.00 0.00 H
+ATOM 377 H2 A A 12 -5.861 11.340 12.337 1.00 0.00 H
+ATOM 378 1H2* A A 12 -5.967 4.711 11.933 1.00 0.00 H
+ATOM 379 2H2* A A 12 -7.341 5.533 11.081 1.00 0.00 H
+ATOM 380 P G A 13 -9.569 4.219 10.669 1.00 0.00 P
+ATOM 381 O1P G A 13 -10.964 3.722 10.568 1.00 0.00 O
+ATOM 382 O2P G A 13 -8.467 3.416 10.078 1.00 0.00 O
+ATOM 383 O5* G A 13 -9.502 5.712 10.074 1.00 0.00 O
+ATOM 384 C5* G A 13 -10.262 6.771 10.674 1.00 0.00 C
+ATOM 385 C4* G A 13 -10.106 8.098 9.939 1.00 0.00 C
+ATOM 386 O4* G A 13 -8.786 8.662 10.158 1.00 0.00 O
+ATOM 387 C3* G A 13 -10.275 7.918 8.438 1.00 0.00 C
+ATOM 388 O3* G A 13 -11.101 8.949 7.886 1.00 0.00 O
+ATOM 389 C2* G A 13 -8.891 8.009 7.886 1.00 0.00 C
+ATOM 390 C1* G A 13 -8.107 8.815 8.888 1.00 0.00 C
+ATOM 391 N9 G A 13 -6.709 8.354 8.973 1.00 0.00 N
+ATOM 392 C8 G A 13 -6.219 7.099 9.112 1.00 0.00 C
+ATOM 393 N7 G A 13 -4.941 6.963 9.220 1.00 0.00 N
+ATOM 394 C5 G A 13 -4.509 8.289 9.140 1.00 0.00 C
+ATOM 395 C6 G A 13 -3.197 8.821 9.193 1.00 0.00 C
+ATOM 396 O6 G A 13 -2.131 8.221 9.329 1.00 0.00 O
+ATOM 397 N1 G A 13 -3.206 10.202 9.073 1.00 0.00 N
+ATOM 398 C2 G A 13 -4.330 10.984 8.915 1.00 0.00 C
+ATOM 399 N2 G A 13 -4.124 12.296 8.784 1.00 0.00 N
+ATOM 400 N3 G A 13 -5.570 10.492 8.868 1.00 0.00 N
+ATOM 401 C4 G A 13 -5.588 9.146 8.985 1.00 0.00 C
+ATOM 402 1H5* G A 13 -9.915 6.931 11.687 1.00 0.00 H
+ATOM 403 2H5* G A 13 -11.321 6.472 10.690 1.00 0.00 H
+ATOM 404 H4* G A 13 -10.856 8.800 10.304 1.00 0.00 H
+ATOM 405 H3* G A 13 -10.699 6.935 8.226 1.00 0.00 H
+ATOM 406 H1* G A 13 -8.123 9.865 8.595 1.00 0.00 H
+ATOM 407 H8 G A 13 -6.878 6.234 9.115 1.00 0.00 H
+ATOM 408 H1 G A 13 -2.315 10.646 9.124 1.00 0.00 H
+ATOM 409 1H2 G A 13 -3.184 12.667 8.819 1.00 0.00 H
+ATOM 410 2H2 G A 13 -4.906 12.918 8.649 1.00 0.00 H
+ATOM 411 1H2* G A 13 -8.460 7.004 7.796 1.00 0.00 H
+ATOM 412 2H2* G A 13 -8.913 8.529 6.925 1.00 0.00 H
+ATOM 413 P G A 14 -11.390 9.003 6.307 1.00 0.00 P
+ATOM 414 O1P G A 14 -12.822 9.326 6.088 1.00 0.00 O
+ATOM 415 O2P G A 14 -10.812 7.792 5.669 1.00 0.00 O
+ATOM 416 O5* G A 14 -10.498 10.281 5.903 1.00 0.00 O
+ATOM 417 C5* G A 14 -10.655 11.527 6.598 1.00 0.00 C
+ATOM 418 C4* G A 14 -9.695 12.606 6.108 1.00 0.00 C
+ATOM 419 O4* G A 14 -8.331 12.331 6.524 1.00 0.00 O
+ATOM 420 C3* G A 14 -9.699 12.699 4.588 1.00 0.00 C
+ATOM 421 O3* G A 14 -9.858 14.054 4.155 1.00 0.00 O
+ATOM 422 C2* G A 14 -8.370 12.156 4.168 1.00 0.00 C
+ATOM 423 C1* G A 14 -7.466 12.306 5.364 1.00 0.00 C
+ATOM 424 N9 G A 14 -6.496 11.197 5.439 1.00 0.00 N
+ATOM 425 C8 G A 14 -6.712 9.862 5.468 1.00 0.00 C
+ATOM 426 N7 G A 14 -5.685 9.089 5.544 1.00 0.00 N
+ATOM 427 C5 G A 14 -4.640 10.014 5.568 1.00 0.00 C
+ATOM 428 C6 G A 14 -3.243 9.800 5.643 1.00 0.00 C
+ATOM 429 O6 G A 14 -2.637 8.733 5.710 1.00 0.00 O
+ATOM 430 N1 G A 14 -2.546 11.000 5.639 1.00 0.00 N
+ATOM 431 C2 G A 14 -3.115 12.253 5.569 1.00 0.00 C
+ATOM 432 N2 G A 14 -2.272 13.284 5.569 1.00 0.00 N
+ATOM 433 N3 G A 14 -4.431 12.464 5.499 1.00 0.00 N
+ATOM 434 C4 G A 14 -5.130 11.309 5.503 1.00 0.00 C
+ATOM 435 1H5* G A 14 -10.451 11.380 7.649 1.00 0.00 H
+ATOM 436 2H5* G A 14 -11.694 11.866 6.469 1.00 0.00 H
+ATOM 437 H4* G A 14 -10.002 13.566 6.522 1.00 0.00 H
+ATOM 438 H3* G A 14 -10.498 12.075 4.180 1.00 0.00 H
+ATOM 439 H1* G A 14 -6.929 13.252 5.293 1.00 0.00 H
+ATOM 440 H8 G A 14 -7.718 9.456 5.407 1.00 0.00 H
+ATOM 441 H1 G A 14 -1.553 10.927 5.697 1.00 0.00 H
+ATOM 442 1H2 G A 14 -1.276 13.122 5.619 1.00 0.00 H
+ATOM 443 2H2 G A 14 -2.629 14.227 5.521 1.00 0.00 H
+ATOM 444 1H2* G A 14 -8.468 11.095 3.906 1.00 0.00 H
+ATOM 445 2H2* G A 14 -7.981 12.746 3.333 1.00 0.00 H
+ATOM 446 P A A 15 -9.872 14.418 2.591 1.00 0.00 P
+ATOM 447 O1P A A 15 -10.717 15.621 2.385 1.00 0.00 O
+ATOM 448 O2P A A 15 -10.159 13.187 1.811 1.00 0.00 O
+ATOM 449 O5* A A 15 -8.329 14.822 2.384 1.00 0.00 O
+ATOM 450 C5* A A 15 -7.757 15.905 3.132 1.00 0.00 C
+ATOM 451 C4* A A 15 -6.352 16.267 2.666 1.00 0.00 C
+ATOM 452 O4* A A 15 -5.384 15.271 3.088 1.00 0.00 O
+ATOM 453 C3* A A 15 -6.283 16.352 1.147 1.00 0.00 C
+ATOM 454 O3* A A 15 -5.624 17.548 0.722 1.00 0.00 O
+ATOM 455 C2* A A 15 -5.504 15.149 0.731 1.00 0.00 C
+ATOM 456 C1* A A 15 -4.683 14.758 1.931 1.00 0.00 C
+ATOM 457 N9 A A 15 -4.519 13.297 2.002 1.00 0.00 N
+ATOM 458 C8 A A 15 -5.449 12.315 1.922 1.00 0.00 C
+ATOM 459 N7 A A 15 -5.037 11.096 2.004 1.00 0.00 N
+ATOM 460 C5 A A 15 -3.661 11.277 2.155 1.00 0.00 C
+ATOM 461 C6 A A 15 -2.600 10.384 2.299 1.00 0.00 C
+ATOM 462 N6 A A 15 -2.755 9.059 2.312 1.00 0.00 N
+ATOM 463 N1 A A 15 -1.372 10.906 2.425 1.00 0.00 N
+ATOM 464 C2 A A 15 -1.189 12.224 2.412 1.00 0.00 C
+ATOM 465 N3 A A 15 -2.117 13.160 2.280 1.00 0.00 N
+ATOM 466 C4 A A 15 -3.341 12.615 2.156 1.00 0.00 C
+ATOM 467 1H5* A A 15 -7.679 15.620 4.173 1.00 0.00 H
+ATOM 468 2H5* A A 15 -8.419 16.778 3.038 1.00 0.00 H
+ATOM 469 H4* A A 15 -6.074 17.231 3.090 1.00 0.00 H
+ATOM 470 H3* A A 15 -7.289 16.303 0.726 1.00 0.00 H
+ATOM 471 H1* A A 15 -3.701 15.229 1.864 1.00 0.00 H
+ATOM 472 H8 A A 15 -6.501 12.547 1.781 1.00 0.00 H
+ATOM 473 1H6 A A 15 -1.949 8.456 2.417 1.00 0.00 H
+ATOM 474 2H6 A A 15 -3.677 8.658 2.219 1.00 0.00 H
+ATOM 475 H2 A A 15 -0.165 12.572 2.528 1.00 0.00 H
+ATOM 476 1H2* A A 15 -6.190 14.335 0.468 1.00 0.00 H
+ATOM 477 2H2* A A 15 -4.844 15.409 -0.102 1.00 0.00 H
+ATOM 478 P T A 16 -5.398 17.836 -0.841 1.00 0.00 P
+ATOM 479 O1P T A 16 -5.436 19.302 -1.072 1.00 0.00 O
+ATOM 480 O2P T A 16 -6.293 16.951 -1.628 1.00 0.00 O
+ATOM 481 O5* T A 16 -3.882 17.322 -1.001 1.00 0.00 O
+ATOM 482 C5* T A 16 -2.838 17.907 -0.211 1.00 0.00 C
+ATOM 483 C4* T A 16 -1.452 17.388 -0.574 1.00 0.00 C
+ATOM 484 O4* T A 16 -1.281 16.003 -0.170 1.00 0.00 O
+ATOM 485 C3* T A 16 -1.207 17.463 -2.076 1.00 0.00 C
+ATOM 486 O3* T A 16 0.021 18.138 -2.365 1.00 0.00 O
+ATOM 487 C2* T A 16 -1.160 16.036 -2.531 1.00 0.00 C
+ATOM 488 C1* T A 16 -0.834 15.221 -1.300 1.00 0.00 C
+ATOM 489 N1 T A 16 -1.493 13.897 -1.332 1.00 0.00 N
+ATOM 490 C2 T A 16 -0.686 12.781 -1.194 1.00 0.00 C
+ATOM 491 O2 T A 16 0.530 12.869 -1.037 1.00 0.00 O
+ATOM 492 N3 T A 16 -1.328 11.558 -1.246 1.00 0.00 N
+ATOM 493 C4 T A 16 -2.685 11.356 -1.424 1.00 0.00 C
+ATOM 494 O4 T A 16 -3.150 10.219 -1.466 1.00 0.00 O
+ATOM 495 C5 T A 16 -3.447 12.577 -1.557 1.00 0.00 C
+ATOM 496 C5M T A 16 -4.957 12.501 -1.760 1.00 0.00 C
+ATOM 497 C6 T A 16 -2.847 13.782 -1.508 1.00 0.00 C
+ATOM 498 1H5* T A 16 -2.999 17.667 0.830 1.00 0.00 H
+ATOM 499 2H5* T A 16 -2.874 18.998 -0.347 1.00 0.00 H
+ATOM 500 H4* T A 16 -0.705 17.995 -0.065 1.00 0.00 H
+ATOM 501 H3* T A 16 -2.043 17.975 -2.561 1.00 0.00 H
+ATOM 502 1H2* T A 16 -2.137 15.741 -2.930 1.00 0.00 H
+ATOM 503 2H2* T A 16 -0.365 15.912 -3.277 1.00 0.00 H
+ATOM 504 H1* T A 16 0.246 15.085 -1.238 1.00 0.00 H
+ATOM 505 H3 T A 16 -0.760 10.742 -1.134 1.00 0.00 H
+ATOM 506 1H5M T A 16 -5.422 13.407 -1.376 1.00 0.00 H
+ATOM 507 2H5M T A 16 -5.352 11.634 -1.237 1.00 0.00 H
+ATOM 508 3H5M T A 16 -5.176 12.408 -2.814 1.00 0.00 H
+ATOM 509 H6 T A 16 -3.452 14.681 -1.599 1.00 0.00 H
+ATOM 510 H3T T A 16 0.690 17.465 -2.514 1.00 0.00 H
+TER 511 T A 16
+ENDMDL
diff --git a/tools/ch2lmp/example/1ac7_trj.pdb b/tools/ch2lmp/example/1ac7_trj.pdb
new file mode 100644
index 0000000000..5608317fb4
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7_trj.pdb
@@ -0,0 +1,1973 @@
+REMARK
+REMARK 1ac7_trj.pdb GENERATED FROM 1ac7_ctrl.psf AND 1ac7.dump
+REMARK CREATED BY lammps2pdb v2.0 ON Fri Jun 3 14:08:38 MDT 2005
+REMARK
+ATOM 1 P ADE 1 5.55414 -9.7584 -14.221 1.00 0.00 A
+ATOM 2 O1P ADE 1 4.03575 -10.275 -14.069 1.00 0.00 A
+ATOM 3 O2P ADE 1 6.67539 -10.959 -13.967 1.00 0.00 A
+ATOM 4 O5' ADE 1 5.76915 -8.4500 -14.671 1.00 0.00 A
+ATOM 5 C5' ADE 1 6.82200 -8.1623 -15.574 1.00 0.00 A
+ATOM 6 H5' ADE 1 6.43648 -8.1945 -16.616 1.00 0.00 A
+ATOM 7 H5'' ADE 1 7.71521 -8.8211 -15.525 1.00 0.00 A
+ATOM 8 C4' ADE 1 7.42248 -6.7971 -15.288 1.00 0.00 A
+ATOM 9 H4' ADE 1 8.42860 -6.6782 -15.744 1.00 0.00 A
+ATOM 10 O4' ADE 1 6.54959 -5.7898 -15.983 1.00 0.00 A
+ATOM 11 C1' ADE 1 6.14600 -4.7495 -14.900 1.00 0.00 A
+ATOM 12 H1' ADE 1 6.01609 -3.8488 -15.537 1.00 0.00 A
+ATOM 13 N9 ADE 1 4.72200 -4.4845 -15.007 1.00 0.00 A
+ATOM 14 C5 ADE 1 2.84036 -3.3964 -15.231 1.00 0.00 A
+ATOM 15 N7 ADE 1 2.49714 -4.7360 -15.289 1.00 0.00 A
+ATOM 16 C8 ADE 1 3.66716 -5.3613 -15.146 1.00 0.00 A
+ATOM 17 H8 ADE 1 3.86182 -6.4337 -15.137 1.00 0.00 A
+ATOM 18 N1 ADE 1 2.69914 -1.0353 -15.248 1.00 0.00 A
+ATOM 19 C2 ADE 1 4.03817 -1.0253 -15.053 1.00 0.00 A
+ATOM 20 H2 ADE 1 4.50977 -0.0475 -14.955 1.00 0.00 A
+ATOM 21 N3 ADE 1 4.85762 -2.0818 -14.988 1.00 0.00 A
+ATOM 22 C4 ADE 1 4.20766 -3.2242 -15.058 1.00 0.00 A
+ATOM 23 C6 ADE 1 2.07524 -2.2233 -15.319 1.00 0.00 A
+ATOM 24 N6 ADE 1 0.73568 -2.2351 -15.512 1.00 0.00 A
+ATOM 25 H61 ADE 1 0.24287 -1.3673 -15.449 1.00 0.00 A
+ATOM 26 H62 ADE 1 0.25484 -3.1119 -15.514 1.00 0.00 A
+ATOM 27 C2' ADE 1 6.76983 -5.3013 -13.625 1.00 0.00 A
+ATOM 28 H2'' ADE 1 7.63875 -4.6224 -13.761 1.00 0.00 A
+ATOM 29 O2' ADE 1 6.04843 -4.7561 -12.701 1.00 0.00 A
+ATOM 30 H2' ADE 1 6.31616 -4.2687 -11.919 1.00 0.00 A
+ATOM 31 C3' ADE 1 7.55249 -6.4857 -13.713 1.00 0.00 A
+ATOM 32 H3' ADE 1 7.27944 -7.4041 -13.151 1.00 0.00 A
+ATOM 33 O3' ADE 1 8.95360 -6.0970 -13.432 1.00 0.00 A
+ATOM 34 P THY 2 9.16926 -5.6199 -11.886 1.00 0.00 A
+ATOM 35 O1P THY 2 10.6176 -5.6916 -11.749 1.00 0.00 A
+ATOM 36 O2P THY 2 8.29893 -6.4812 -11.032 1.00 0.00 A
+ATOM 37 O5' THY 2 8.89966 -4.0663 -11.674 1.00 0.00 A
+ATOM 38 C5' THY 2 9.08063 -3.1328 -12.792 1.00 0.00 A
+ATOM 39 H5' THY 2 8.64935 -3.3870 -13.783 1.00 0.00 A
+ATOM 40 H5'' THY 2 10.1762 -3.0504 -12.956 1.00 0.00 A
+ATOM 41 C4' THY 2 8.66398 -1.7243 -12.416 1.00 0.00 A
+ATOM 42 H4' THY 2 9.24670 -0.9608 -12.975 1.00 0.00 A
+ATOM 43 O4' THY 2 7.21991 -1.5290 -12.856 1.00 0.00 A
+ATOM 44 C1' THY 2 6.48718 -0.9628 -11.610 1.00 0.00 A
+ATOM 45 H1' THY 2 5.95857 -0.2452 -12.273 1.00 0.00 A
+ATOM 46 N1 THY 2 5.18107 -1.6366 -11.518 1.00 0.00 A
+ATOM 47 C6 THY 2 4.99561 -2.9520 -11.395 1.00 0.00 A
+ATOM 48 H6 THY 2 5.87313 -3.2369 -10.815 1.00 0.00 A
+ATOM 49 C2 THY 2 4.09172 -0.7887 -11.631 1.00 0.00 A
+ATOM 50 O2 THY 2 4.20285 0.42509 -11.717 1.00 0.00 A
+ATOM 51 N3 THY 2 2.87218 -1.4057 -11.656 1.00 0.00 A
+ATOM 52 H3 THY 2 2.14106 -0.7102 -11.701 1.00 0.00 A
+ATOM 53 C4 THY 2 2.63180 -2.7527 -11.566 1.00 0.00 A
+ATOM 54 O4 THY 2 1.47087 -3.1937 -11.608 1.00 0.00 A
+ATOM 55 C5 THY 2 3.81835 -3.5922 -11.424 1.00 0.00 A
+ATOM 56 C5M THY 2 3.69327 -5.0605 -11.351 1.00 0.00 A
+ATOM 57 H51 THY 2 2.97185 -5.3676 -10.564 1.00 0.00 A
+ATOM 58 H52 THY 2 4.64025 -5.5709 -11.073 1.00 0.00 A
+ATOM 59 H53 THY 2 3.35229 -5.4958 -12.314 1.00 0.00 A
+ATOM 60 C2' THY 2 7.51576 -0.9852 -10.488 1.00 0.00 A
+ATOM 61 H2'' THY 2 7.79078 0.08074 -10.637 1.00 0.00 A
+ATOM 62 O2' THY 2 6.86065 -0.9560 -9.3824 1.00 0.00 A
+ATOM 63 H2' THY 2 6.80545 -0.4906 -8.5446 1.00 0.00 A
+ATOM 64 C3' THY 2 8.83394 -1.4215 -10.839 1.00 0.00 A
+ATOM 65 H3' THY 2 9.31429 -2.2972 -10.353 1.00 0.00 A
+ATOM 66 O3' THY 2 9.70441 -0.2397 -10.690 1.00 0.00 A
+ATOM 67 P CYT 3 9.80562 0.29578 -9.1540 1.00 0.00 A
+ATOM 68 O1P CYT 3 11.0578 0.97040 -9.1216 1.00 0.00 A
+ATOM 69 O2P CYT 3 9.52866 -0.8768 -8.2244 1.00 0.00 A
+ATOM 70 O5' CYT 3 8.64689 1.41089 -8.9628 1.00 0.00 A
+ATOM 71 C5' CYT 3 8.50456 2.47039 -9.9027 1.00 0.00 A
+ATOM 72 H5' CYT 3 8.34672 2.11108 -10.942 1.00 0.00 A
+ATOM 73 H5'' CYT 3 9.42715 3.08907 -9.8830 1.00 0.00 A
+ATOM 74 C4' CYT 3 7.38834 3.42858 -9.5330 1.00 0.00 A
+ATOM 75 H4' CYT 3 7.43524 4.36317 -10.131 1.00 0.00 A
+ATOM 76 O4' CYT 3 6.07149 2.76011 -9.9187 1.00 0.00 A
+ATOM 77 C1' CYT 3 5.17530 2.91451 -8.6599 1.00 0.00 A
+ATOM 78 H1' CYT 3 4.30441 3.23150 -9.2726 1.00 0.00 A
+ATOM 79 N1 CYT 3 4.43937 1.67534 -8.4725 1.00 0.00 A
+ATOM 80 C6 CYT 3 5.02598 0.48291 -8.2789 1.00 0.00 A
+ATOM 81 H6 CYT 3 6.02671 0.75972 -7.9472 1.00 0.00 A
+ATOM 82 C5 CYT 3 4.32828 -0.6723 -8.2122 1.00 0.00 A
+ATOM 83 H5 CYT 3 4.79077 -1.6499 -8.0762 1.00 0.00 A
+ATOM 84 C2 CYT 3 3.05318 1.75217 -8.5448 1.00 0.00 A
+ATOM 85 O2 CYT 3 2.50554 2.85958 -8.6756 1.00 0.00 A
+ATOM 86 N3 CYT 3 2.30799 0.62599 -8.4452 1.00 0.00 A
+ATOM 87 C4 CYT 3 2.91391 -0.5468 -8.3072 1.00 0.00 A
+ATOM 88 N4 CYT 3 2.15291 -1.6540 -8.2127 1.00 0.00 A
+ATOM 89 H41 CYT 3 2.53330 -2.5780 -8.1757 1.00 0.00 A
+ATOM 90 H42 CYT 3 1.16538 -1.5148 -8.2866 1.00 0.00 A
+ATOM 91 C2' CYT 3 6.05594 3.53570 -7.5817 1.00 0.00 A
+ATOM 92 H2'' CYT 3 5.69124 4.57456 -7.7305 1.00 0.00 A
+ATOM 93 O2' CYT 3 5.49268 3.21076 -6.4446 1.00 0.00 A
+ATOM 94 H2' CYT 3 5.26893 3.56179 -5.5795 1.00 0.00 A
+ATOM 95 C3' CYT 3 7.40166 3.84114 -7.9667 1.00 0.00 A
+ATOM 96 H3' CYT 3 8.28785 3.33074 -7.5325 1.00 0.00 A
+ATOM 97 O3' CYT 3 7.49975 5.31583 -7.8751 1.00 0.00 A
+ATOM 98 P CYT 4 7.32939 5.87954 -6.3953 1.00 0.00 A
+ATOM 99 O1P CYT 4 7.97059 7.18959 -6.3943 1.00 0.00 A
+ATOM 100 O2P CYT 4 7.82041 4.85849 -5.3972 1.00 0.00 A
+ATOM 101 O5' CYT 4 5.77714 6.20788 -6.1249 1.00 0.00 A
+ATOM 102 C5' CYT 4 4.93580 6.59182 -7.2554 1.00 0.00 A
+ATOM 103 H5' CYT 4 4.91504 5.91988 -8.1400 1.00 0.00 A
+ATOM 104 H5'' CYT 4 5.30181 7.56259 -7.6529 1.00 0.00 A
+ATOM 105 C4' CYT 4 3.51257 6.87206 -6.8266 1.00 0.00 A
+ATOM 106 H4' CYT 4 3.03153 7.64787 -7.4599 1.00 0.00 A
+ATOM 107 O4' CYT 4 2.70479 5.60240 -7.0663 1.00 0.00 A
+ATOM 108 C1' CYT 4 1.94486 5.34487 -5.7632 1.00 0.00 A
+ATOM 109 H1' CYT 4 1.00954 5.11971 -6.3188 1.00 0.00 A
+ATOM 110 N1 CYT 4 1.98129 3.91703 -5.4783 1.00 0.00 A
+ATOM 111 C6 CYT 4 3.11991 3.20950 -5.2802 1.00 0.00 A
+ATOM 112 H6 CYT 4 3.87003 3.97548 -5.0835 1.00 0.00 A
+ATOM 113 C5 CYT 4 3.12158 1.88228 -5.0916 1.00 0.00 A
+ATOM 114 H5 CYT 4 4.03154 1.30271 -4.9361 1.00 0.00 A
+ATOM 115 C2 CYT 4 0.75871 3.25463 -5.4619 1.00 0.00 A
+ATOM 116 O2 CYT 4 -0.2963 3.89902 -5.6248 1.00 0.00 A
+ATOM 117 N3 CYT 4 0.71425 1.91378 -5.2546 1.00 0.00 A
+ATOM 118 C4 CYT 4 1.85077 1.24746 -5.0880 1.00 0.00 A
+ATOM 119 N4 CYT 4 1.78776 -0.0885 -4.8911 1.00 0.00 A
+ATOM 120 H41 CYT 4 2.62631 -0.6090 -4.7302 1.00 0.00 A
+ATOM 121 H42 CYT 4 0.89911 -0.5462 -4.8628 1.00 0.00 A
+ATOM 122 C2' CYT 4 2.45285 6.37925 -4.7980 1.00 0.00 A
+ATOM 123 H2'' CYT 4 1.61632 7.08786 -4.9780 1.00 0.00 A
+ATOM 124 O2' CYT 4 2.17924 5.93774 -3.6449 1.00 0.00 A
+ATOM 125 H2' CYT 4 1.79554 6.20505 -2.8064 1.00 0.00 A
+ATOM 126 C3' CYT 4 3.40123 7.32344 -5.2779 1.00 0.00 A
+ATOM 127 H3' CYT 4 4.41289 7.43064 -4.8314 1.00 0.00 A
+ATOM 128 O3' CYT 4 2.74213 8.63855 -5.2167 1.00 0.00 A
+ATOM 129 P THY 5 2.41344 9.12170 -3.7180 1.00 0.00 A
+ATOM 130 O1P THY 5 2.35198 10.5497 -3.7947 1.00 0.00 A
+ATOM 131 O2P THY 5 3.41084 8.47664 -2.7611 1.00 0.00 A
+ATOM 132 O5' THY 5 0.91411 8.63744 -3.3368 1.00 0.00 A
+ATOM 133 C5' THY 5 -0.1541 8.85654 -4.2424 1.00 0.00 A
+ATOM 134 H5' THY 5 0.09835 8.63547 -5.3015 1.00 0.00 A
+ATOM 135 H5'' THY 5 -0.4207 9.93380 -4.1894 1.00 0.00 A
+ATOM 136 C4' THY 5 -1.4131 8.08689 -3.8951 1.00 0.00 A
+ATOM 137 H4' THY 5 -2.2192 8.31594 -4.6246 1.00 0.00 A
+ATOM 138 O4' THY 5 -1.1177 6.59630 -4.0355 1.00 0.00 A
+ATOM 139 C1' THY 5 -1.6730 5.96646 -2.7058 1.00 0.00 A
+ATOM 140 H1' THY 5 -2.1113 5.11966 -3.2760 1.00 0.00 A
+ATOM 141 N1 THY 5 -0.7158 4.94308 -2.2675 1.00 0.00 A
+ATOM 142 C6 THY 5 0.57042 5.15843 -2.0035 1.00 0.00 A
+ATOM 143 H6 THY 5 0.59092 6.20559 -1.7016 1.00 0.00 A
+ATOM 144 C2 THY 5 -1.2283 3.67692 -2.1632 1.00 0.00 A
+ATOM 145 O2 THY 5 -2.4214 3.42592 -2.3156 1.00 0.00 A
+ATOM 146 N3 THY 5 -0.3279 2.69260 -1.8580 1.00 0.00 A
+ATOM 147 H3 THY 5 -0.8667 1.83976 -1.8075 1.00 0.00 A
+ATOM 148 C4 THY 5 1.02518 2.85876 -1.6588 1.00 0.00 A
+ATOM 149 O4 THY 5 1.73864 1.87410 -1.3922 1.00 0.00 A
+ATOM 150 C5 THY 5 1.50511 4.22441 -1.7513 1.00 0.00 A
+ATOM 151 C5M THY 5 2.94640 4.52086 -1.5877 1.00 0.00 A
+ATOM 152 H51 THY 5 3.35229 4.10411 -0.6412 1.00 0.00 A
+ATOM 153 H52 THY 5 3.16348 5.60930 -1.5375 1.00 0.00 A
+ATOM 154 H53 THY 5 3.54991 4.12980 -2.4346 1.00 0.00 A
+ATOM 155 C2' THY 5 -2.1572 7.14030 -1.8210 1.00 0.00 A
+ATOM 156 H2'' THY 5 -3.2399 7.06220 -2.0579 1.00 0.00 A
+ATOM 157 O2' THY 5 -2.3251 6.88142 -0.6746 1.00 0.00 A
+ATOM 158 H2' THY 5 -2.7295 6.40962 0.05710 1.00 0.00 A
+ATOM 159 C3' THY 5 -1.9728 8.45262 -2.4200 1.00 0.00 A
+ATOM 160 H3' THY 5 -1.2121 9.17065 -2.0457 1.00 0.00 A
+ATOM 161 O3' THY 5 -3.3639 8.97312 -2.5795 1.00 0.00 A
+ATOM 162 P ADE 6 -3.9211 9.73137 -1.3854 1.00 0.00 A
+ATOM 163 O1P ADE 6 -4.9119 10.6356 -2.0100 1.00 0.00 A
+ATOM 164 O2P ADE 6 -2.8232 10.3206 -0.5802 1.00 0.00 A
+ATOM 165 O5' ADE 6 -4.7011 8.68436 -0.4721 1.00 0.00 A
+ATOM 166 C5' ADE 6 -5.7606 7.88981 -1.0554 1.00 0.00 A
+ATOM 167 H5' ADE 6 -5.4658 7.43542 -2.0255 1.00 0.00 A
+ATOM 168 H5'' ADE 6 -6.6381 8.54256 -1.2511 1.00 0.00 A
+ATOM 169 C4' ADE 6 -6.2155 6.79373 -0.1223 1.00 0.00 A
+ATOM 170 H4' ADE 6 -7.2046 6.39013 -0.4272 1.00 0.00 A
+ATOM 171 O4' ADE 6 -5.2289 5.62447 -0.3219 1.00 0.00 A
+ATOM 172 C1' ADE 6 -4.8341 5.24499 1.19136 1.00 0.00 A
+ATOM 173 H1' ADE 6 -4.8715 4.14325 1.05326 1.00 0.00 A
+ATOM 174 N9 ADE 6 -3.4272 4.92150 1.25784 1.00 0.00 A
+ATOM 175 C5 ADE 6 -1.6143 3.72547 1.46463 1.00 0.00 A
+ATOM 176 N7 ADE 6 -1.1730 5.00899 1.41214 1.00 0.00 A
+ATOM 177 C8 ADE 6 -2.2988 5.69078 1.34451 1.00 0.00 A
+ATOM 178 H8 ADE 6 -2.3986 6.76905 1.46905 1.00 0.00 A
+ATOM 179 N1 ADE 6 -1.6672 1.35303 1.67612 1.00 0.00 A
+ATOM 180 C2 ADE 6 -2.9858 1.46336 1.54358 1.00 0.00 A
+ATOM 181 H2 ADE 6 -3.5406 0.52542 1.56923 1.00 0.00 A
+ATOM 182 N3 ADE 6 -3.7428 2.52323 1.41431 1.00 0.00 A
+ATOM 183 C4 ADE 6 -2.9960 3.64356 1.36224 1.00 0.00 A
+ATOM 184 C6 ADE 6 -0.9351 2.50781 1.63363 1.00 0.00 A
+ATOM 185 N6 ADE 6 0.40583 2.42556 1.79305 1.00 0.00 A
+ATOM 186 H61 ADE 6 0.71679 1.47531 1.81149 1.00 0.00 A
+ATOM 187 H62 ADE 6 0.93850 3.26394 1.67730 1.00 0.00 A
+ATOM 188 C2' ADE 6 -5.5451 6.27183 2.14696 1.00 0.00 A
+ATOM 189 H2'' ADE 6 -6.3527 5.62898 2.55786 1.00 0.00 A
+ATOM 190 O2' ADE 6 -5.0134 6.40356 3.18750 1.00 0.00 A
+ATOM 191 H2' ADE 6 -4.8428 5.95570 4.01935 1.00 0.00 A
+ATOM 192 C3' ADE 6 -6.3167 7.28179 1.43421 1.00 0.00 A
+ATOM 193 H3' ADE 6 -6.0444 8.35875 1.41738 1.00 0.00 A
+ATOM 194 O3' ADE 6 -7.7029 7.01389 1.90013 1.00 0.00 A
+ATOM 195 P GUA 7 -8.0684 7.67196 3.23475 1.00 0.00 A
+ATOM 196 O1P GUA 7 -9.4637 8.11359 2.97818 1.00 0.00 A
+ATOM 197 O2P GUA 7 -7.0700 8.66525 3.69350 1.00 0.00 A
+ATOM 198 O5' GUA 7 -8.1346 6.49169 4.32447 1.00 0.00 A
+ATOM 199 C5' GUA 7 -8.4026 5.12442 3.90652 1.00 0.00 A
+ATOM 200 H5' GUA 7 -8.0238 4.80132 2.91331 1.00 0.00 A
+ATOM 201 H5'' GUA 7 -9.5033 4.97633 3.87995 1.00 0.00 A
+ATOM 202 C4' GUA 7 -7.8049 4.10377 4.85566 1.00 0.00 A
+ATOM 203 H4' GUA 7 -8.2090 3.08922 4.65135 1.00 0.00 A
+ATOM 204 O4' GUA 7 -6.3424 3.98262 4.48007 1.00 0.00 A
+ATOM 205 C1' GUA 7 -5.5682 4.17431 5.84224 1.00 0.00 A
+ATOM 206 H1' GUA 7 -4.7101 3.49242 5.66083 1.00 0.00 A
+ATOM 207 N9 GUA 7 -4.4318 5.06404 5.65117 1.00 0.00 A
+ATOM 208 C4 GUA 7 -3.1234 4.66951 5.65464 1.00 0.00 A
+ATOM 209 N2 GUA 7 -0.7285 2.21116 6.05096 1.00 0.00 A
+ATOM 210 H21 GUA 7 0.25885 2.05320 6.05853 1.00 0.00 A
+ATOM 211 H22 GUA 7 -1.2541 1.39326 6.28491 1.00 0.00 A
+ATOM 212 N3 GUA 7 -2.6607 3.43986 5.89182 1.00 0.00 A
+ATOM 213 C2 GUA 7 -1.3602 3.34672 5.84906 1.00 0.00 A
+ATOM 214 N1 GUA 7 -0.5461 4.42566 5.61551 1.00 0.00 A
+ATOM 215 H1 GUA 7 0.45468 4.30225 5.55950 1.00 0.00 A
+ATOM 216 C6 GUA 7 -0.9807 5.72702 5.36036 1.00 0.00 A
+ATOM 217 O6 GUA 7 -0.1515 6.62379 5.16255 1.00 0.00 A
+ATOM 218 C5 GUA 7 -2.3935 5.82086 5.40182 1.00 0.00 A
+ATOM 219 N7 GUA 7 -3.2017 6.90159 5.23822 1.00 0.00 A
+ATOM 220 C8 GUA 7 -4.4156 6.44159 5.48360 1.00 0.00 A
+ATOM 221 H8 GUA 7 -5.3514 6.97877 5.32950 1.00 0.00 A
+ATOM 222 C2' GUA 7 -6.6398 4.39238 6.92400 1.00 0.00 A
+ATOM 223 H2'' GUA 7 -6.6539 3.37345 7.36663 1.00 0.00 A
+ATOM 224 O2' GUA 7 -6.0536 4.92667 7.94195 1.00 0.00 A
+ATOM 225 H2' GUA 7 -5.8273 4.90354 8.87462 1.00 0.00 A
+ATOM 226 C3' GUA 7 -8.0044 4.43172 6.42903 1.00 0.00 A
+ATOM 227 H3' GUA 7 -8.6138 5.36039 6.44905 1.00 0.00 A
+ATOM 228 O3' GUA 7 -8.6560 3.25963 7.08152 1.00 0.00 A
+ATOM 229 P THY 8 -8.7303 3.40387 8.67535 1.00 0.00 A
+ATOM 230 O1P THY 8 -9.9153 2.61468 9.03735 1.00 0.00 A
+ATOM 231 O2P THY 8 -8.7038 4.84760 9.09051 1.00 0.00 A
+ATOM 232 O5' THY 8 -7.4653 2.64956 9.29151 1.00 0.00 A
+ATOM 233 C5' THY 8 -7.3514 1.25074 9.31429 1.00 0.00 A
+ATOM 234 H5' THY 8 -7.7060 0.80797 8.35904 1.00 0.00 A
+ATOM 235 H5'' THY 8 -7.9887 0.85766 10.1350 1.00 0.00 A
+ATOM 236 C4' THY 8 -5.9410 0.74203 9.53921 1.00 0.00 A
+ATOM 237 H4' THY 8 -5.7842 -0.2516 9.06785 1.00 0.00 A
+ATOM 238 O4' THY 8 -5.0807 1.73010 8.91135 1.00 0.00 A
+ATOM 239 C1' THY 8 -3.8856 2.01177 9.84997 1.00 0.00 A
+ATOM 240 H1' THY 8 -3.1103 1.85043 9.07069 1.00 0.00 A
+ATOM 241 N1 THY 8 -3.5682 3.43281 9.73284 1.00 0.00 A
+ATOM 242 C6 THY 8 -4.4446 4.44531 9.95453 1.00 0.00 A
+ATOM 243 H6 THY 8 -5.4420 4.04384 10.1334 1.00 0.00 A
+ATOM 244 C2 THY 8 -2.2605 3.71022 9.36887 1.00 0.00 A
+ATOM 245 O2 THY 8 -1.4230 2.83118 9.17288 1.00 0.00 A
+ATOM 246 N3 THY 8 -1.9513 5.03441 9.25202 1.00 0.00 A
+ATOM 247 H3 THY 8 -0.9962 5.26428 9.01776 1.00 0.00 A
+ATOM 248 C4 THY 8 -2.8025 6.09940 9.44778 1.00 0.00 A
+ATOM 249 O4 THY 8 -2.3921 7.25694 9.30751 1.00 0.00 A
+ATOM 250 C5 THY 8 -4.1708 5.74537 9.80563 1.00 0.00 A
+ATOM 251 C5M THY 8 -5.1637 6.80425 10.0570 1.00 0.00 A
+ATOM 252 H51 THY 8 -6.2112 6.44130 9.98306 1.00 0.00 A
+ATOM 253 H52 THY 8 -5.0854 7.63459 9.32308 1.00 0.00 A
+ATOM 254 H53 THY 8 -5.0425 7.25452 11.0654 1.00 0.00 A
+ATOM 255 C2' THY 8 -4.2706 1.23940 11.0757 1.00 0.00 A
+ATOM 256 H2'' THY 8 -3.4912 0.50631 11.3748 1.00 0.00 A
+ATOM 257 O2' THY 8 -4.1556 2.10414 12.1634 1.00 0.00 A
+ATOM 258 H2' THY 8 -3.2220 1.92878 12.3021 1.00 0.00 A
+ATOM 259 C3' THY 8 -5.5409 0.59242 11.0849 1.00 0.00 A
+ATOM 260 H3' THY 8 -6.4343 0.93604 11.6490 1.00 0.00 A
+ATOM 261 O3' THY 8 -5.1304 -0.8327 11.3362 1.00 0.00 A
+ATOM 262 P THY 9 -4.7371 -1.1063 12.8225 1.00 0.00 A
+ATOM 263 O1P THY 9 -4.6367 -2.5934 12.8994 1.00 0.00 A
+ATOM 264 O2P THY 9 -5.7435 -0.4563 13.7079 1.00 0.00 A
+ATOM 265 O5' THY 9 -3.2731 -0.7070 13.2636 1.00 0.00 A
+ATOM 266 C5' THY 9 -2.1092 -1.0815 12.5334 1.00 0.00 A
+ATOM 267 H5' THY 9 -2.2240 -2.0248 11.9578 1.00 0.00 A
+ATOM 268 H5'' THY 9 -1.3829 -1.3312 13.3362 1.00 0.00 A
+ATOM 269 C4' THY 9 -1.3432 -0.1278 11.5626 1.00 0.00 A
+ATOM 270 H4' THY 9 -1.8209 -0.1485 10.5598 1.00 0.00 A
+ATOM 271 O4' THY 9 -1.3524 1.26955 12.0525 1.00 0.00 A
+ATOM 272 C1' THY 9 -0.1919 1.96979 12.0966 1.00 0.00 A
+ATOM 273 H1' THY 9 -0.7396 2.89576 11.8191 1.00 0.00 A
+ATOM 274 N1 THY 9 -0.1975 2.70863 13.3638 1.00 0.00 A
+ATOM 275 C6 THY 9 -0.5241 2.21412 14.5840 1.00 0.00 A
+ATOM 276 H6 THY 9 -0.9024 1.19874 14.4657 1.00 0.00 A
+ATOM 277 C2 THY 9 0.17537 4.04659 13.2211 1.00 0.00 A
+ATOM 278 O2 THY 9 0.47690 4.52532 12.1308 1.00 0.00 A
+ATOM 279 N3 THY 9 0.22415 4.76245 14.3790 1.00 0.00 A
+ATOM 280 H3 THY 9 0.41433 5.74840 14.2704 1.00 0.00 A
+ATOM 281 C4 THY 9 -0.0961 4.31565 15.6393 1.00 0.00 A
+ATOM 282 O4 THY 9 -0.0038 5.06271 16.6134 1.00 0.00 A
+ATOM 283 C5 THY 9 -0.4880 2.90613 15.7228 1.00 0.00 A
+ATOM 284 C5M THY 9 -0.8363 2.31043 17.0215 1.00 0.00 A
+ATOM 285 H51 THY 9 -1.6715 2.86381 17.5017 1.00 0.00 A
+ATOM 286 H52 THY 9 0.01426 2.35519 17.7348 1.00 0.00 A
+ATOM 287 H53 THY 9 -1.1661 1.25253 16.9412 1.00 0.00 A
+ATOM 288 C2' THY 9 0.78681 0.90382 11.6975 1.00 0.00 A
+ATOM 289 H2'' THY 9 1.53398 1.03846 10.8864 1.00 0.00 A
+ATOM 290 O2' THY 9 1.99563 1.10568 12.0873 1.00 0.00 A
+ATOM 291 H2' THY 9 2.64786 1.77335 11.8628 1.00 0.00 A
+ATOM 292 C3' THY 9 0.17254 -0.4472 11.4902 1.00 0.00 A
+ATOM 293 H3' THY 9 0.30765 -1.2820 12.2108 1.00 0.00 A
+ATOM 294 O3' THY 9 0.52577 -0.7008 10.0681 1.00 0.00 A
+ATOM 295 P ADE 10 1.44444 -1.7350 9.72164 1.00 0.00 A
+ATOM 296 O1P ADE 10 2.32880 -2.1702 10.8657 1.00 0.00 A
+ATOM 297 O2P ADE 10 2.08155 -1.4708 8.42651 1.00 0.00 A
+ATOM 298 O5' ADE 10 0.33349 -2.8262 9.54926 1.00 0.00 A
+ATOM 299 C5' ADE 10 0.63429 -4.2244 9.73051 1.00 0.00 A
+ATOM 300 H5' ADE 10 0.27735 -4.5007 10.7457 1.00 0.00 A
+ATOM 301 H5'' ADE 10 1.70746 -4.5099 9.69729 1.00 0.00 A
+ATOM 302 C4' ADE 10 -0.0637 -5.1200 8.72194 1.00 0.00 A
+ATOM 303 H4' ADE 10 -0.3034 -6.1114 9.16232 1.00 0.00 A
+ATOM 304 O4' ADE 10 -1.3535 -4.5049 8.33847 1.00 0.00 A
+ATOM 305 C1' ADE 10 -1.1565 -4.0188 6.83501 1.00 0.00 A
+ATOM 306 H1' ADE 10 -2.1963 -3.9316 6.45359 1.00 0.00 A
+ATOM 307 N9 ADE 10 -1.4759 -2.6170 6.80470 1.00 0.00 A
+ATOM 308 C5 ADE 10 -2.7125 -0.8106 6.83260 1.00 0.00 A
+ATOM 309 N7 ADE 10 -1.4209 -0.3930 6.91887 1.00 0.00 A
+ATOM 310 C8 ADE 10 -0.6994 -1.4924 6.91777 1.00 0.00 A
+ATOM 311 H8 ADE 10 0.38829 -1.5549 6.94851 1.00 0.00 A
+ATOM 312 N1 ADE 10 -5.0907 -0.8744 6.72682 1.00 0.00 A
+ATOM 313 C2 ADE 10 -4.9613 -2.1787 6.66357 1.00 0.00 A
+ATOM 314 H2 ADE 10 -5.9041 -2.7186 6.57584 1.00 0.00 A
+ATOM 315 N3 ADE 10 -3.8949 -2.9540 6.68611 1.00 0.00 A
+ATOM 316 C4 ADE 10 -2.7793 -2.1907 6.76742 1.00 0.00 A
+ATOM 317 C6 ADE 10 -3.9310 -0.1379 6.80293 1.00 0.00 A
+ATOM 318 N6 ADE 10 -3.9629 1.15304 6.65301 1.00 0.00 A
+ATOM 319 H61 ADE 10 -3.2663 1.84971 6.82409 1.00 0.00 A
+ATOM 320 H62 ADE 10 -4.8159 1.55474 6.98646 1.00 0.00 A
+ATOM 321 C2' ADE 10 0.21814 -4.6165 6.39451 1.00 0.00 A
+ATOM 322 H2'' ADE 10 -0.2616 -5.4537 5.84385 1.00 0.00 A
+ATOM 323 O2' ADE 10 0.62801 -4.0582 5.31752 1.00 0.00 A
+ATOM 324 H2' ADE 10 0.84231 -4.2489 4.40136 1.00 0.00 A
+ATOM 325 C3' ADE 10 0.88776 -5.3823 7.44127 1.00 0.00 A
+ATOM 326 H3' ADE 10 1.92698 -5.1215 7.73508 1.00 0.00 A
+ATOM 327 O3' ADE 10 0.75625 -6.8171 7.05118 1.00 0.00 A
+ATOM 328 P THY 11 1.48129 -7.1236 5.61787 1.00 0.00 A
+ATOM 329 O1P THY 11 1.88227 -8.5200 5.77429 1.00 0.00 A
+ATOM 330 O2P THY 11 2.54926 -6.1073 5.35078 1.00 0.00 A
+ATOM 331 O5' THY 11 0.32932 -7.0254 4.52807 1.00 0.00 A
+ATOM 332 C5' THY 11 -0.8895 -7.7558 4.71918 1.00 0.00 A
+ATOM 333 H5' THY 11 -1.2374 -7.7931 5.77362 1.00 0.00 A
+ATOM 334 H5'' THY 11 -0.7447 -8.8045 4.38217 1.00 0.00 A
+ATOM 335 C4' THY 11 -2.0650 -7.1965 3.95148 1.00 0.00 A
+ATOM 336 H4' THY 11 -3.0356 -7.5584 4.35312 1.00 0.00 A
+ATOM 337 O4' THY 11 -2.0769 -5.6808 4.12749 1.00 0.00 A
+ATOM 338 C1' THY 11 -2.2984 -5.1461 2.66699 1.00 0.00 A
+ATOM 339 H1' THY 11 -3.1054 -4.4444 2.96813 1.00 0.00 A
+ATOM 340 N1 THY 11 -1.4658 -3.9608 2.47837 1.00 0.00 A
+ATOM 341 C6 THY 11 -0.1167 -3.9354 2.64047 1.00 0.00 A
+ATOM 342 H6 THY 11 0.23752 -4.9186 2.95020 1.00 0.00 A
+ATOM 343 C2 THY 11 -2.1594 -2.8059 2.14223 1.00 0.00 A
+ATOM 344 O2 THY 11 -3.3732 -2.7860 1.99239 1.00 0.00 A
+ATOM 345 N3 THY 11 -1.3889 -1.6848 2.00512 1.00 0.00 A
+ATOM 346 H3 THY 11 -1.8223 -0.8067 1.75778 1.00 0.00 A
+ATOM 347 C4 THY 11 -0.0331 -1.5918 2.17321 1.00 0.00 A
+ATOM 348 O4 THY 11 0.55990 -0.5129 2.03038 1.00 0.00 A
+ATOM 349 C5 THY 11 0.64452 -2.8451 2.50403 1.00 0.00 A
+ATOM 350 C5M THY 11 2.09963 -2.8683 2.72599 1.00 0.00 A
+ATOM 351 H51 THY 11 2.62784 -1.9917 2.29365 1.00 0.00 A
+ATOM 352 H52 THY 11 2.56970 -3.7652 2.26902 1.00 0.00 A
+ATOM 353 H53 THY 11 2.36033 -2.8896 3.80578 1.00 0.00 A
+ATOM 354 C2' THY 11 -2.2670 -6.3704 1.73303 1.00 0.00 A
+ATOM 355 H2'' THY 11 -3.3632 -6.4707 1.58251 1.00 0.00 A
+ATOM 356 O2' THY 11 -1.9193 -5.8709 0.57634 1.00 0.00 A
+ATOM 357 H2' THY 11 -2.1920 -5.9884 -0.3365 1.00 0.00 A
+ATOM 358 C3' THY 11 -2.0415 -7.6273 2.38296 1.00 0.00 A
+ATOM 359 H3' THY 11 -1.1088 -8.2091 2.22161 1.00 0.00 A
+ATOM 360 O3' THY 11 -3.2758 -8.3934 2.11583 1.00 0.00 A
+ATOM 361 P ADE 12 -3.4743 -8.7305 0.53138 1.00 0.00 A
+ATOM 362 O1P ADE 12 -4.3553 -9.8568 0.53997 1.00 0.00 A
+ATOM 363 O2P ADE 12 -2.1281 -8.7826 -0.1111 1.00 0.00 A
+ATOM 364 O5' ADE 12 -4.3659 -7.5299 -0.0969 1.00 0.00 A
+ATOM 365 C5' ADE 12 -5.3174 -6.8285 0.73040 1.00 0.00 A
+ATOM 366 H5' ADE 12 -4.9336 -6.3654 1.66453 1.00 0.00 A
+ATOM 367 H5'' ADE 12 -6.0815 -7.5704 1.04688 1.00 0.00 A
+ATOM 368 C4' ADE 12 -6.0550 -5.7715 -0.0615 1.00 0.00 A
+ATOM 369 H4' ADE 12 -7.0708 -5.5849 0.34792 1.00 0.00 A
+ATOM 370 O4' ADE 12 -5.3132 -4.4693 0.14073 1.00 0.00 A
+ATOM 371 C1' ADE 12 -5.0142 -3.9321 -1.3026 1.00 0.00 A
+ATOM 372 H1' ADE 12 -5.0861 -2.8444 -1.0881 1.00 0.00 A
+ATOM 373 N9 ADE 12 -3.6397 -3.4748 -1.3512 1.00 0.00 A
+ATOM 374 C5 ADE 12 -1.9289 -2.1163 -1.4332 1.00 0.00 A
+ATOM 375 N7 ADE 12 -1.3775 -3.3692 -1.2541 1.00 0.00 A
+ATOM 376 C8 ADE 12 -2.4602 -4.1475 -1.2159 1.00 0.00 A
+ATOM 377 H8 ADE 12 -2.5083 -5.2205 -1.4011 1.00 0.00 A
+ATOM 378 N1 ADE 12 -2.1481 0.21974 -1.7431 1.00 0.00 A
+ATOM 379 C2 ADE 12 -3.4833 0.01620 -1.7938 1.00 0.00 A
+ATOM 380 H2 ADE 12 -4.0984 0.90069 -1.9592 1.00 0.00 A
+ATOM 381 N3 ADE 12 -4.1360 -1.1349 -1.6699 1.00 0.00 A
+ATOM 382 C4 ADE 12 -3.3156 -2.1635 -1.4951 1.00 0.00 A
+ATOM 383 C6 ADE 12 -1.3453 -0.8451 -1.5616 1.00 0.00 A
+ATOM 384 N6 ADE 12 -0.0110 -0.6322 -1.5169 1.00 0.00 A
+ATOM 385 H61 ADE 12 0.60304 -1.3986 -1.3284 1.00 0.00 A
+ATOM 386 H62 ADE 12 0.33689 0.30455 -1.5545 1.00 0.00 A
+ATOM 387 C2' ADE 12 -5.5568 -5.0101 -2.2460 1.00 0.00 A
+ATOM 388 H2'' ADE 12 -6.4968 -4.4651 -2.4777 1.00 0.00 A
+ATOM 389 O2' ADE 12 -4.9870 -4.8515 -3.3687 1.00 0.00 A
+ATOM 390 H2' ADE 12 -5.0584 -4.6752 -4.3096 1.00 0.00 A
+ATOM 391 C3' ADE 12 -6.1863 -6.1464 -1.6265 1.00 0.00 A
+ATOM 392 H3' ADE 12 -5.8200 -7.1843 -1.7778 1.00 0.00 A
+ATOM 393 O3' ADE 12 -7.6149 -6.0681 -2.0085 1.00 0.00 A
+ATOM 394 P GUA 13 -7.8430 -6.2302 -3.5913 1.00 0.00 A
+ATOM 395 O1P GUA 13 -9.2035 -6.7332 -3.7077 1.00 0.00 A
+ATOM 396 O2P GUA 13 -6.7248 -7.0410 -4.2002 1.00 0.00 A
+ATOM 397 O5' GUA 13 -7.8531 -4.7549 -4.2555 1.00 0.00 A
+ATOM 398 C5' GUA 13 -8.4989 -3.6680 -3.5731 1.00 0.00 A
+ATOM 399 H5' GUA 13 -8.1554 -3.5223 -2.5267 1.00 0.00 A
+ATOM 400 H5'' GUA 13 -9.5917 -3.8655 -3.5413 1.00 0.00 A
+ATOM 401 C4' GUA 13 -8.3442 -2.3441 -4.3124 1.00 0.00 A
+ATOM 402 H4' GUA 13 -9.0515 -1.5714 -3.9425 1.00 0.00 A
+ATOM 403 O4' GUA 13 -6.9700 -1.8171 -3.9561 1.00 0.00 A
+ATOM 404 C1' GUA 13 -6.2726 -1.5451 -5.3605 1.00 0.00 A
+ATOM 405 H1' GUA 13 -5.6533 -0.6799 -5.0408 1.00 0.00 A
+ATOM 406 N9 GUA 13 -4.9168 -2.0672 -5.2884 1.00 0.00 A
+ATOM 407 C4 GUA 13 -3.8052 -1.2752 -5.2731 1.00 0.00 A
+ATOM 408 N2 GUA 13 -2.3473 1.84784 -5.4779 1.00 0.00 A
+ATOM 409 H21 GUA 13 -1.4923 2.36489 -5.4395 1.00 0.00 A
+ATOM 410 H22 GUA 13 -3.1455 2.44002 -5.5890 1.00 0.00 A
+ATOM 411 N3 GUA 13 -3.7770 0.04936 -5.3995 1.00 0.00 A
+ATOM 412 C2 GUA 13 -2.5723 0.56656 -5.3400 1.00 0.00 A
+ATOM 413 N1 GUA 13 -1.4470 -0.2203 -5.1955 1.00 0.00 A
+ATOM 414 H1 GUA 13 -0.6110 0.34457 -5.1476 1.00 0.00 A
+ATOM 415 C6 GUA 13 -1.4292 -1.6019 -5.0654 1.00 0.00 A
+ATOM 416 O6 GUA 13 -0.3526 -2.2198 -4.9365 1.00 0.00 A
+ATOM 417 C5 GUA 13 -2.7369 -2.1500 -5.1221 1.00 0.00 A
+ATOM 418 N7 GUA 13 -3.1473 -3.4558 -5.0562 1.00 0.00 A
+ATOM 419 C8 GUA 13 -4.4710 -3.3453 -5.1976 1.00 0.00 A
+ATOM 420 H8 GUA 13 -5.1835 -4.1041 -5.5211 1.00 0.00 A
+ATOM 421 C2' GUA 13 -7.2878 -1.9685 -6.4335 1.00 0.00 A
+ATOM 422 H2'' GUA 13 -7.6315 -0.9591 -6.7458 1.00 0.00 A
+ATOM 423 O2' GUA 13 -6.6522 -2.2152 -7.5272 1.00 0.00 A
+ATOM 424 H2' GUA 13 -6.2532 -1.9749 -8.3666 1.00 0.00 A
+ATOM 425 C3' GUA 13 -8.5441 -2.4992 -5.9149 1.00 0.00 A
+ATOM 426 H3' GUA 13 -8.8870 -3.5450 -6.0670 1.00 0.00 A
+ATOM 427 O3' GUA 13 -9.5487 -1.5171 -6.3608 1.00 0.00 A
+ATOM 428 P GUA 14 -9.6807 -1.4008 -7.9513 1.00 0.00 A
+ATOM 429 O1P GUA 14 -11.059 -1.1388 -8.1967 1.00 0.00 A
+ATOM 430 O2P GUA 14 -9.1058 -2.6617 -8.6448 1.00 0.00 A
+ATOM 431 O5' GUA 14 -8.7647 -0.1532 -8.4038 1.00 0.00 A
+ATOM 432 C5' GUA 14 -8.8922 1.08390 -7.6490 1.00 0.00 A
+ATOM 433 H5' GUA 14 -8.7213 0.96178 -6.5581 1.00 0.00 A
+ATOM 434 H5'' GUA 14 -9.9152 1.50413 -7.7548 1.00 0.00 A
+ATOM 435 C4' GUA 14 -7.9464 2.17047 -8.1432 1.00 0.00 A
+ATOM 436 H4' GUA 14 -8.1945 3.15905 -7.7011 1.00 0.00 A
+ATOM 437 O4' GUA 14 -6.5613 1.80922 -7.6016 1.00 0.00 A
+ATOM 438 C1' GUA 14 -5.6207 1.89678 -8.8629 1.00 0.00 A
+ATOM 439 H1' GUA 14 -4.7114 2.32804 -8.3923 1.00 0.00 A
+ATOM 440 N9 GUA 14 -4.6979 0.76526 -8.8267 1.00 0.00 A
+ATOM 441 C4 GUA 14 -3.3468 0.88199 -8.7501 1.00 0.00 A
+ATOM 442 N2 GUA 14 -0.4961 2.83563 -8.6972 1.00 0.00 A
+ATOM 443 H21 GUA 14 0.50172 2.84482 -8.6335 1.00 0.00 A
+ATOM 444 H22 GUA 14 -0.8787 3.75953 -8.6994 1.00 0.00 A
+ATOM 445 N3 GUA 14 -2.6493 2.00800 -8.7797 1.00 0.00 A
+ATOM 446 C2 GUA 14 -1.3427 1.84166 -8.6828 1.00 0.00 A
+ATOM 447 N1 GUA 14 -0.7763 0.58015 -8.6254 1.00 0.00 A
+ATOM 448 H1 GUA 14 0.23198 0.59397 -8.5688 1.00 0.00 A
+ATOM 449 C6 GUA 14 -1.4651 -0.6200 -8.6100 1.00 0.00 A
+ATOM 450 O6 GUA 14 -0.8640 -1.7126 -8.5587 1.00 0.00 A
+ATOM 451 C5 GUA 14 -2.8698 -0.4250 -8.6947 1.00 0.00 A
+ATOM 452 N7 GUA 14 -3.8894 -1.3464 -8.7484 1.00 0.00 A
+ATOM 453 C8 GUA 14 -4.9775 -0.5633 -8.8045 1.00 0.00 A
+ATOM 454 H8 GUA 14 -6.0040 -0.7593 -9.1142 1.00 0.00 A
+ATOM 455 C2' GUA 14 -6.5386 2.22015 -10.057 1.00 0.00 A
+ATOM 456 H2'' GUA 14 -6.2834 3.28992 -10.214 1.00 0.00 A
+ATOM 457 O2' GUA 14 -5.8994 1.74609 -11.098 1.00 0.00 A
+ATOM 458 H2' GUA 14 -5.4409 1.79183 -11.940 1.00 0.00 A
+ATOM 459 C3' GUA 14 -7.9444 2.30563 -9.7619 1.00 0.00 A
+ATOM 460 H3' GUA 14 -8.7258 1.59398 -10.104 1.00 0.00 A
+ATOM 461 O3' GUA 14 -8.2700 3.69596 -10.118 1.00 0.00 A
+ATOM 462 P ADE 15 -8.1336 4.02871 -11.664 1.00 0.00 A
+ATOM 463 O1P ADE 15 -8.9622 5.17883 -11.907 1.00 0.00 A
+ATOM 464 O2P ADE 15 -8.3981 2.75418 -12.476 1.00 0.00 A
+ATOM 465 O5' ADE 15 -6.6290 4.54350 -11.987 1.00 0.00 A
+ATOM 466 C5' ADE 15 -5.9969 5.48264 -11.112 1.00 0.00 A
+ATOM 467 H5' ADE 15 -5.9728 5.18087 -10.043 1.00 0.00 A
+ATOM 468 H5'' ADE 15 -6.5671 6.43553 -11.146 1.00 0.00 A
+ATOM 469 C4' ADE 15 -4.6000 5.84382 -11.585 1.00 0.00 A
+ATOM 470 H4' ADE 15 -4.2552 6.79590 -11.128 1.00 0.00 A
+ATOM 471 O4' ADE 15 -3.6614 4.76410 -11.041 1.00 0.00 A
+ATOM 472 C1' ADE 15 -2.8313 4.30272 -12.294 1.00 0.00 A
+ATOM 473 H1' ADE 15 -1.8544 4.14249 -11.790 1.00 0.00 A
+ATOM 474 N9 ADE 15 -2.7364 2.85517 -12.266 1.00 0.00 A
+ATOM 475 C5 ADE 15 -1.8945 0.85643 -12.097 1.00 0.00 A
+ATOM 476 N7 ADE 15 -3.2543 0.63269 -12.285 1.00 0.00 A
+ATOM 477 C8 ADE 15 -3.6982 1.90644 -12.352 1.00 0.00 A
+ATOM 478 H8 ADE 15 -4.6147 2.28604 -12.804 1.00 0.00 A
+ATOM 479 N1 ADE 15 0.43009 0.43756 -11.845 1.00 0.00 A
+ATOM 480 C2 ADE 15 0.58491 1.79500 -11.841 1.00 0.00 A
+ATOM 481 H2 ADE 15 1.59369 2.19165 -11.727 1.00 0.00 A
+ATOM 482 N3 ADE 15 -0.3527 2.71016 -11.999 1.00 0.00 A
+ATOM 483 C4 ADE 15 -1.5657 2.20868 -12.092 1.00 0.00 A
+ATOM 484 C6 ADE 15 -0.8254 -0.0431 -11.958 1.00 0.00 A
+ATOM 485 N6 ADE 15 -0.9848 -1.3914 -11.973 1.00 0.00 A
+ATOM 486 H61 ADE 15 -0.1502 -1.8759 -11.711 1.00 0.00 A
+ATOM 487 H62 ADE 15 -1.9038 -1.7491 -11.808 1.00 0.00 A
+ATOM 488 C2' ADE 15 -3.4027 5.09011 -13.495 1.00 0.00 A
+ATOM 489 H2'' ADE 15 -2.5836 5.82801 -13.632 1.00 0.00 A
+ATOM 490 O2' ADE 15 -3.1246 4.31151 -14.520 1.00 0.00 A
+ATOM 491 H2' ADE 15 -2.8570 4.34100 -15.442 1.00 0.00 A
+ATOM 492 C3' ADE 15 -4.5013 5.96178 -13.205 1.00 0.00 A
+ATOM 493 H3' ADE 15 -5.5376 5.83057 -13.583 1.00 0.00 A
+ATOM 494 O3' ADE 15 -3.9645 7.29228 -13.547 1.00 0.00 A
+ATOM 495 P THY 16 -3.6291 7.46372 -15.107 1.00 0.00 A
+ATOM 496 O1P THY 16 -3.6882 8.88275 -15.352 1.00 0.00 A
+ATOM 497 O2P THY 16 -4.5335 6.53677 -15.911 1.00 0.00 A
+ATOM 498 O5' THY 16 -2.0776 7.04574 -15.361 1.00 0.00 A
+ATOM 499 C5' THY 16 -1.0701 7.49023 -14.453 1.00 0.00 A
+ATOM 500 H5' THY 16 -1.2750 7.26226 -13.385 1.00 0.00 A
+ATOM 501 H5'' THY 16 -0.9915 8.59566 -14.532 1.00 0.00 A
+ATOM 502 C4' THY 16 0.30339 6.97428 -14.821 1.00 0.00 A
+ATOM 503 H4' THY 16 1.09595 7.53412 -14.280 1.00 0.00 A
+ATOM 504 O4' THY 16 0.39677 5.52629 -14.310 1.00 0.00 A
+ATOM 505 C1' THY 16 0.98362 4.73745 -15.532 1.00 0.00 A
+ATOM 506 H1' THY 16 1.72387 4.20488 -14.897 1.00 0.00 A
+ATOM 507 N1 THY 16 0.28302 3.44646 -15.613 1.00 0.00 A
+ATOM 508 C6 THY 16 -1.0448 3.31665 -15.784 1.00 0.00 A
+ATOM 509 H6 THY 16 -1.3526 4.31092 -16.108 1.00 0.00 A
+ATOM 510 C2 THY 16 1.08353 2.34644 -15.441 1.00 0.00 A
+ATOM 511 O2 THY 16 2.30279 2.40950 -15.311 1.00 0.00 A
+ATOM 512 N3 THY 16 0.44293 1.13095 -15.517 1.00 0.00 A
+ATOM 513 H3 THY 16 1.14376 0.44633 -15.272 1.00 0.00 A
+ATOM 514 C4 THY 16 -0.9118 0.94143 -15.680 1.00 0.00 A
+ATOM 515 O4 THY 16 -1.3773 -0.2181 -15.734 1.00 0.00 A
+ATOM 516 C5 THY 16 -1.7118 2.14909 -15.811 1.00 0.00 A
+ATOM 517 C5M THY 16 -3.1620 2.04923 -16.034 1.00 0.00 A
+ATOM 518 H51 THY 16 -3.8235 2.89285 -15.742 1.00 0.00 A
+ATOM 519 H52 THY 16 -3.6236 1.20465 -15.479 1.00 0.00 A
+ATOM 520 H53 THY 16 -3.4223 1.97644 -17.111 1.00 0.00 A
+ATOM 521 C2' THY 16 1.10070 5.73162 -16.735 1.00 0.00 A
+ATOM 522 H2'' THY 16 2.18532 5.96516 -16.677 1.00 0.00 A
+ATOM 523 O2' THY 16 1.22132 5.18987 -17.876 1.00 0.00 A
+ATOM 524 H2' THY 16 1.63844 4.65988 -18.559 1.00 0.00 A
+ATOM 525 C3' THY 16 0.58895 7.05769 -16.407 1.00 0.00 A
+ATOM 526 H3' THY 16 -0.3030 7.51772 -16.884 1.00 0.00 A
+ATOM 527 O3' THY 16 1.80749 7.92417 -16.624 1.00 0.00 A
+ATOM 528 OT HOH 33 -11.077 -11.078 -18.466 1.00 0.00 WATR
+ATOM 529 HT HOH 33 -10.372 -10.452 -18.630 1.00 0.00 WATR
+ATOM 530 HT HOH 33 -11.875 -10.549 -18.469 1.00 0.00 WATR
+ATOM 531 OT HOH 34 -8.6251 -8.6226 -18.458 1.00 0.00 WATR
+ATOM 532 HT HOH 34 -7.8452 -8.0774 -18.561 1.00 0.00 WATR
+ATOM 533 HT HOH 34 -9.3577 -8.0130 -18.547 1.00 0.00 WATR
+ATOM 534 SOD ION 35 -8.6102 -11.094 -16.019 1.00 0.00 SALT
+ATOM 535 OT HOH 36 -11.067 -8.6172 -16.008 1.00 0.00 WATR
+ATOM 536 HT HOH 36 -10.412 -7.9257 -16.103 1.00 0.00 WATR
+ATOM 537 HT HOH 36 -11.900 -8.1508 -15.941 1.00 0.00 WATR
+ATOM 538 OT HOH 37 -11.081 -11.075 -13.577 1.00 0.00 WATR
+ATOM 539 HT HOH 37 -10.441 -10.455 -13.229 1.00 0.00 WATR
+ATOM 540 HT HOH 37 -11.931 -10.683 -13.374 1.00 0.00 WATR
+ATOM 541 SOD ION 38 -8.6200 -8.5909 -13.526 1.00 0.00 SALT
+ATOM 542 OT HOH 39 -8.6258 -11.069 -11.116 1.00 0.00 WATR
+ATOM 543 HT HOH 39 -7.8434 -10.647 -10.760 1.00 0.00 WATR
+ATOM 544 HT HOH 39 -9.3555 -10.576 -10.740 1.00 0.00 WATR
+ATOM 545 OT HOH 40 -11.070 -8.6083 -11.114 1.00 0.00 WATR
+ATOM 546 HT HOH 40 -10.411 -7.9967 -10.786 1.00 0.00 WATR
+ATOM 547 HT HOH 40 -11.907 -8.1811 -10.930 1.00 0.00 WATR
+ATOM 548 OT HOH 41 -11.077 -11.079 -8.6402 1.00 0.00 WATR
+ATOM 549 HT HOH 41 -10.364 -10.471 -8.4440 1.00 0.00 WATR
+ATOM 550 HT HOH 41 -11.874 -10.573 -8.4834 1.00 0.00 WATR
+ATOM 551 OT HOH 42 -8.6217 -8.6160 -8.6457 1.00 0.00 WATR
+ATOM 552 HT HOH 42 -7.8681 -8.0693 -8.4233 1.00 0.00 WATR
+ATOM 553 HT HOH 42 -9.3817 -8.0673 -8.4520 1.00 0.00 WATR
+ATOM 554 OT HOH 43 -8.6282 -11.084 -6.1833 1.00 0.00 WATR
+ATOM 555 HT HOH 43 -7.8486 -10.566 -5.9827 1.00 0.00 WATR
+ATOM 556 HT HOH 43 -9.3601 -10.489 -6.0182 1.00 0.00 WATR
+ATOM 557 OT HOH 44 -11.083 -8.6189 -6.1727 1.00 0.00 WATR
+ATOM 558 HT HOH 44 -10.341 -8.0496 -5.9684 1.00 0.00 WATR
+ATOM 559 HT HOH 44 -11.851 -8.0551 -6.0798 1.00 0.00 WATR
+ATOM 560 OT HOH 45 -11.089 -11.083 -3.7038 1.00 0.00 WATR
+ATOM 561 HT HOH 45 -10.318 -10.525 -3.6044 1.00 0.00 WATR
+ATOM 562 HT HOH 45 -11.830 -10.479 -3.6510 1.00 0.00 WATR
+ATOM 563 OT HOH 46 -8.6371 -11.080 -1.2401 1.00 0.00 WATR
+ATOM 564 HT HOH 46 -7.8048 -10.619 -1.1394 1.00 0.00 WATR
+ATOM 565 HT HOH 46 -9.3020 -10.396 -1.1648 1.00 0.00 WATR
+ATOM 566 OT HOH 47 -11.088 -8.6199 -1.2275 1.00 0.00 WATR
+ATOM 567 HT HOH 47 -10.308 -8.0731 -1.3174 1.00 0.00 WATR
+ATOM 568 HT HOH 47 -11.819 -8.0022 -1.2589 1.00 0.00 WATR
+ATOM 569 OT HOH 48 -11.094 -11.081 1.24169 1.00 0.00 WATR
+ATOM 570 HT HOH 48 -10.273 -10.596 1.15991 1.00 0.00 WATR
+ATOM 571 HT HOH 48 -11.776 -10.416 1.14316 1.00 0.00 WATR
+ATOM 572 OT HOH 49 -8.6358 -8.6193 1.24113 1.00 0.00 WATR
+ATOM 573 HT HOH 49 -7.8246 -8.1216 1.13890 1.00 0.00 WATR
+ATOM 574 HT HOH 49 -9.3302 -7.9653 1.16223 1.00 0.00 WATR
+ATOM 575 OT HOH 50 -8.6306 -11.076 3.71707 1.00 0.00 WATR
+ATOM 576 HT HOH 50 -7.8255 -10.605 3.50093 1.00 0.00 WATR
+ATOM 577 HT HOH 50 -9.3310 -10.450 3.53353 1.00 0.00 WATR
+ATOM 578 OT HOH 51 -11.089 -8.6189 3.70993 1.00 0.00 WATR
+ATOM 579 HT HOH 51 -10.298 -8.0969 3.57641 1.00 0.00 WATR
+ATOM 580 HT HOH 51 -11.809 -8.0016 3.57865 1.00 0.00 WATR
+ATOM 581 OT HOH 52 -11.092 -11.080 6.17889 1.00 0.00 WATR
+ATOM 582 HT HOH 52 -10.287 -10.595 5.99370 1.00 0.00 WATR
+ATOM 583 HT HOH 52 -11.794 -10.451 6.01269 1.00 0.00 WATR
+ATOM 584 OT HOH 53 -8.6239 -8.6174 6.17759 1.00 0.00 WATR
+ATOM 585 HT HOH 53 -7.8448 -8.0891 6.00382 1.00 0.00 WATR
+ATOM 586 HT HOH 53 -9.3573 -8.0247 6.01328 1.00 0.00 WATR
+ATOM 587 OT HOH 54 -8.6275 -11.080 8.64308 1.00 0.00 WATR
+ATOM 588 HT HOH 54 -7.8345 -10.571 8.47318 1.00 0.00 WATR
+ATOM 589 HT HOH 54 -9.3453 -10.476 8.45122 1.00 0.00 WATR
+ATOM 590 OT HOH 55 -11.087 -8.6196 8.63854 1.00 0.00 WATR
+ATOM 591 HT HOH 55 -10.307 -8.0855 8.49052 1.00 0.00 WATR
+ATOM 592 HT HOH 55 -11.819 -8.0216 8.48795 1.00 0.00 WATR
+ATOM 593 OT HOH 56 -11.088 -11.087 11.1093 1.00 0.00 WATR
+ATOM 594 HT HOH 56 -10.302 -10.571 10.9324 1.00 0.00 WATR
+ATOM 595 HT HOH 56 -11.813 -10.488 10.9287 1.00 0.00 WATR
+ATOM 596 OT HOH 57 -8.6255 -8.6203 11.0974 1.00 0.00 WATR
+ATOM 597 HT HOH 57 -7.8420 -8.0805 10.9929 1.00 0.00 WATR
+ATOM 598 HT HOH 57 -9.3543 -8.0108 10.9805 1.00 0.00 WATR
+ATOM 599 OT HOH 58 -8.6345 -11.084 13.5560 1.00 0.00 WATR
+ATOM 600 HT HOH 58 -7.8062 -10.609 13.4858 1.00 0.00 WATR
+ATOM 601 HT HOH 58 -9.3065 -10.407 13.4785 1.00 0.00 WATR
+ATOM 602 OT HOH 59 -11.087 -8.6222 13.5571 1.00 0.00 WATR
+ATOM 603 HT HOH 59 -10.298 -8.0863 13.4802 1.00 0.00 WATR
+ATOM 604 HT HOH 59 -11.809 -8.0013 13.4598 1.00 0.00 WATR
+ATOM 605 OT HOH 60 -11.087 -11.089 16.0032 1.00 0.00 WATR
+ATOM 606 HT HOH 60 -10.300 -10.545 16.0233 1.00 0.00 WATR
+ATOM 607 HT HOH 60 -11.812 -10.464 16.0296 1.00 0.00 WATR
+ATOM 608 OT HOH 61 -8.6263 -8.6211 16.0147 1.00 0.00 WATR
+ATOM 609 HT HOH 61 -7.8353 -8.0834 15.9789 1.00 0.00 WATR
+ATOM 610 HT HOH 61 -9.3464 -7.9913 15.9813 1.00 0.00 WATR
+ATOM 611 OT HOH 62 -8.6287 -11.082 18.4790 1.00 0.00 WATR
+ATOM 612 HT HOH 62 -7.8239 -10.567 18.4234 1.00 0.00 WATR
+ATOM 613 HT HOH 62 -9.3319 -10.434 18.4354 1.00 0.00 WATR
+ATOM 614 OT HOH 63 -11.086 -8.6206 18.4739 1.00 0.00 WATR
+ATOM 615 HT HOH 63 -10.306 -8.0658 18.4599 1.00 0.00 WATR
+ATOM 616 HT HOH 63 -11.818 -8.0048 18.5031 1.00 0.00 WATR
+ATOM 617 OT HOH 64 -11.085 -6.1577 -18.479 1.00 0.00 WATR
+ATOM 618 HT HOH 64 -10.329 -5.5717 -18.445 1.00 0.00 WATR
+ATOM 619 HT HOH 64 -11.842 -5.5793 -18.382 1.00 0.00 WATR
+ATOM 620 OT HOH 65 -8.6195 -3.6949 -18.472 1.00 0.00 WATR
+ATOM 621 HT HOH 65 -7.8842 -3.0840 -18.520 1.00 0.00 WATR
+ATOM 622 HT HOH 65 -9.3962 -3.1355 -18.466 1.00 0.00 WATR
+ATOM 623 OT HOH 66 -8.6227 -6.1648 -16.006 1.00 0.00 WATR
+ATOM 624 HT HOH 66 -7.8770 -5.5650 -16.029 1.00 0.00 WATR
+ATOM 625 HT HOH 66 -9.3903 -5.5930 -15.994 1.00 0.00 WATR
+ATOM 626 OT HOH 67 -11.075 -3.6940 -16.023 1.00 0.00 WATR
+ATOM 627 HT HOH 67 -10.388 -3.0327 -15.937 1.00 0.00 WATR
+ATOM 628 HT HOH 67 -11.890 -3.2130 -15.881 1.00 0.00 WATR
+ATOM 629 OT HOH 68 -11.074 -6.1588 -13.567 1.00 0.00 WATR
+ATOM 630 HT HOH 68 -10.394 -5.5049 -13.406 1.00 0.00 WATR
+ATOM 631 HT HOH 68 -11.891 -5.7192 -13.331 1.00 0.00 WATR
+ATOM 632 OT HOH 69 -8.6246 -3.7014 -13.561 1.00 0.00 WATR
+ATOM 633 HT HOH 69 -7.9505 -3.0330 -13.438 1.00 0.00 WATR
+ATOM 634 HT HOH 69 -9.4511 -3.2334 -13.442 1.00 0.00 WATR
+ATOM 635 OT HOH 70 -8.6213 -6.1580 -11.111 1.00 0.00 WATR
+ATOM 636 HT HOH 70 -7.8930 -5.5769 -10.892 1.00 0.00 WATR
+ATOM 637 HT HOH 70 -9.4052 -5.6456 -10.913 1.00 0.00 WATR
+ATOM 638 OT HOH 71 -11.068 -3.6903 -11.107 1.00 0.00 WATR
+ATOM 639 HT HOH 71 -10.424 -3.0575 -10.790 1.00 0.00 WATR
+ATOM 640 HT HOH 71 -11.914 -3.2753 -10.941 1.00 0.00 WATR
+ATOM 641 OT HOH 72 -11.081 -6.1556 -8.6312 1.00 0.00 WATR
+ATOM 642 HT HOH 72 -10.375 -5.5201 -8.5109 1.00 0.00 WATR
+ATOM 643 HT HOH 72 -11.881 -5.6304 -8.6216 1.00 0.00 WATR
+ATOM 644 OT HOH 73 -11.094 -3.6933 -1.2218 1.00 0.00 WATR
+ATOM 645 HT HOH 73 -10.294 -3.1716 -1.2789 1.00 0.00 WATR
+ATOM 646 HT HOH 73 -11.803 -3.0528 -1.2823 1.00 0.00 WATR
+ATOM 647 OT HOH 74 -11.088 -6.1567 1.24571 1.00 0.00 WATR
+ATOM 648 HT HOH 74 -10.317 -5.6112 1.09145 1.00 0.00 WATR
+ATOM 649 HT HOH 74 -11.830 -5.5649 1.11975 1.00 0.00 WATR
+ATOM 650 OT HOH 75 -8.6225 -6.1548 3.70769 1.00 0.00 WATR
+ATOM 651 HT HOH 75 -7.8430 -5.6143 3.57932 1.00 0.00 WATR
+ATOM 652 HT HOH 75 -9.3554 -5.5490 3.59812 1.00 0.00 WATR
+ATOM 653 OT HOH 76 -11.085 -3.6919 3.71257 1.00 0.00 WATR
+ATOM 654 HT HOH 76 -10.314 -3.1538 3.53242 1.00 0.00 WATR
+ATOM 655 HT HOH 76 -11.827 -3.1095 3.55126 1.00 0.00 WATR
+ATOM 656 OT HOH 77 -11.087 -6.1559 6.17448 1.00 0.00 WATR
+ATOM 657 HT HOH 77 -10.310 -5.6157 6.02582 1.00 0.00 WATR
+ATOM 658 HT HOH 77 -11.823 -5.5636 6.02455 1.00 0.00 WATR
+ATOM 659 OT HOH 78 -8.6249 -3.6911 6.17865 1.00 0.00 WATR
+ATOM 660 HT HOH 78 -7.8636 -3.1456 5.98128 1.00 0.00 WATR
+ATOM 661 HT HOH 78 -9.3774 -3.1307 5.98905 1.00 0.00 WATR
+ATOM 662 OT HOH 79 -8.6251 -6.1580 8.63634 1.00 0.00 WATR
+ATOM 663 HT HOH 79 -7.8553 -5.6050 8.50265 1.00 0.00 WATR
+ATOM 664 HT HOH 79 -9.3688 -5.5693 8.50711 1.00 0.00 WATR
+ATOM 665 OT HOH 80 -11.088 -3.6943 8.63567 1.00 0.00 WATR
+ATOM 666 HT HOH 80 -10.308 -3.1520 8.51909 1.00 0.00 WATR
+ATOM 667 HT HOH 80 -11.821 -3.0951 8.49193 1.00 0.00 WATR
+ATOM 668 OT HOH 81 -11.087 -6.1572 11.0967 1.00 0.00 WATR
+ATOM 669 HT HOH 81 -10.303 -5.6152 11.0032 1.00 0.00 WATR
+ATOM 670 HT HOH 81 -11.815 -5.5474 10.9821 1.00 0.00 WATR
+ATOM 671 OT HOH 82 -8.6225 -3.6951 11.0861 1.00 0.00 WATR
+ATOM 672 HT HOH 82 -7.8470 -3.1344 11.1031 1.00 0.00 WATR
+ATOM 673 HT HOH 82 -9.3600 -3.0849 11.0864 1.00 0.00 WATR
+ATOM 674 OT HOH 83 -8.6256 -6.1575 13.5545 1.00 0.00 WATR
+ATOM 675 HT HOH 83 -7.8540 -5.5944 13.4925 1.00 0.00 WATR
+ATOM 676 HT HOH 83 -9.3674 -5.5553 13.4960 1.00 0.00 WATR
+ATOM 677 OT HOH 84 -11.088 -3.6940 13.5510 1.00 0.00 WATR
+ATOM 678 HT HOH 84 -10.289 -3.1675 13.5247 1.00 0.00 WATR
+ATOM 679 HT HOH 84 -11.798 -3.0528 13.5379 1.00 0.00 WATR
+ATOM 680 OT HOH 85 -11.089 -6.1565 16.0123 1.00 0.00 WATR
+ATOM 681 HT HOH 85 -10.289 -5.6315 15.9938 1.00 0.00 WATR
+ATOM 682 HT HOH 85 -11.798 -5.5134 16.0114 1.00 0.00 WATR
+ATOM 683 OT HOH 86 -8.6232 -3.6942 16.0170 1.00 0.00 WATR
+ATOM 684 HT HOH 86 -7.8656 -3.1178 15.9171 1.00 0.00 WATR
+ATOM 685 HT HOH 86 -9.3785 -3.1079 15.9714 1.00 0.00 WATR
+ATOM 686 OT HOH 87 -8.6238 -6.1577 18.4765 1.00 0.00 WATR
+ATOM 687 HT HOH 87 -7.8523 -5.5916 18.4510 1.00 0.00 WATR
+ATOM 688 HT HOH 87 -9.3656 -5.5529 18.4688 1.00 0.00 WATR
+ATOM 689 OT HOH 88 -11.085 -3.6951 18.4693 1.00 0.00 WATR
+ATOM 690 HT HOH 88 -10.320 -3.1212 18.4854 1.00 0.00 WATR
+ATOM 691 HT HOH 88 -11.833 -3.1001 18.5335 1.00 0.00 WATR
+ATOM 692 OT HOH 89 -11.080 -1.2325 -18.480 1.00 0.00 WATR
+ATOM 693 HT HOH 89 -10.346 -0.6182 -18.452 1.00 0.00 WATR
+ATOM 694 HT HOH 89 -11.858 -0.6801 -18.408 1.00 0.00 WATR
+ATOM 695 OT HOH 90 -8.6174 1.23105 -18.475 1.00 0.00 WATR
+ATOM 696 HT HOH 90 -7.8604 1.81604 -18.443 1.00 0.00 WATR
+ATOM 697 HT HOH 90 -9.3743 1.81567 -18.436 1.00 0.00 WATR
+ATOM 698 OT HOH 91 -8.6082 -1.2262 -16.002 1.00 0.00 WATR
+ATOM 699 HT HOH 91 -7.9696 -0.5297 -16.154 1.00 0.00 WATR
+ATOM 700 HT HOH 91 -9.4546 -0.7791 -15.998 1.00 0.00 WATR
+ATOM 701 OT HOH 92 -11.069 1.22783 -16.028 1.00 0.00 WATR
+ATOM 702 HT HOH 92 -10.313 1.79212 -15.868 1.00 0.00 WATR
+ATOM 703 HT HOH 92 -11.827 1.78316 -15.842 1.00 0.00 WATR
+ATOM 704 OT HOH 93 -11.070 -1.2242 -13.569 1.00 0.00 WATR
+ATOM 705 HT HOH 93 -10.432 -0.5457 -13.348 1.00 0.00 WATR
+ATOM 706 HT HOH 93 -11.917 -0.8394 -13.345 1.00 0.00 WATR
+ATOM 707 OT HOH 94 -8.6246 1.23487 -3.6871 1.00 0.00 WATR
+ATOM 708 HT HOH 94 -7.8412 1.78217 -3.7409 1.00 0.00 WATR
+ATOM 709 HT HOH 94 -9.3532 1.84979 -3.7720 1.00 0.00 WATR
+ATOM 710 OT HOH 95 -11.095 1.23551 -1.2081 1.00 0.00 WATR
+ATOM 711 HT HOH 95 -10.275 1.68956 -1.4057 1.00 0.00 WATR
+ATOM 712 HT HOH 95 -11.778 1.87099 -1.4199 1.00 0.00 WATR
+ATOM 713 OT HOH 96 -11.092 -1.2279 1.24980 1.00 0.00 WATR
+ATOM 714 HT HOH 96 -10.290 -0.7394 1.06422 1.00 0.00 WATR
+ATOM 715 HT HOH 96 -11.798 -0.6033 1.08195 1.00 0.00 WATR
+ATOM 716 OT HOH 97 -8.6245 1.23633 1.25808 1.00 0.00 WATR
+ATOM 717 HT HOH 97 -7.8444 1.74813 1.04451 1.00 0.00 WATR
+ATOM 718 HT HOH 97 -9.3570 1.80259 1.01499 1.00 0.00 WATR
+ATOM 719 OT HOH 98 -8.6262 -1.2299 3.71935 1.00 0.00 WATR
+ATOM 720 HT HOH 98 -7.8415 -0.7131 3.53629 1.00 0.00 WATR
+ATOM 721 HT HOH 98 -9.3536 -0.6453 3.50626 1.00 0.00 WATR
+ATOM 722 OT HOH 99 -11.089 1.23177 3.71218 1.00 0.00 WATR
+ATOM 723 HT HOH 99 -10.300 1.75670 3.57680 1.00 0.00 WATR
+ATOM 724 HT HOH 99 -11.811 1.83853 3.55114 1.00 0.00 WATR
+ATOM 725 OT HOH 100 -11.087 -1.2297 6.17582 1.00 0.00 WATR
+ATOM 726 HT HOH 100 -10.311 -0.6867 6.04213 1.00 0.00 WATR
+ATOM 727 HT HOH 100 -11.823 -0.6401 6.01206 1.00 0.00 WATR
+ATOM 728 OT HOH 101 -11.091 -1.2304 11.0879 1.00 0.00 WATR
+ATOM 729 HT HOH 101 -10.288 -0.7105 11.0527 1.00 0.00 WATR
+ATOM 730 HT HOH 101 -11.797 -0.5844 11.0558 1.00 0.00 WATR
+ATOM 731 OT HOH 102 -8.6306 -1.2324 13.5463 1.00 0.00 WATR
+ATOM 732 HT HOH 102 -7.7863 -0.7833 13.5876 1.00 0.00 WATR
+ATOM 733 HT HOH 102 -9.2785 -0.5283 13.5728 1.00 0.00 WATR
+ATOM 734 OT HOH 103 -11.089 1.23004 13.5487 1.00 0.00 WATR
+ATOM 735 HT HOH 103 -10.285 1.74870 13.5200 1.00 0.00 WATR
+ATOM 736 HT HOH 103 -11.793 1.87848 13.5473 1.00 0.00 WATR
+ATOM 737 OT HOH 104 -11.087 -1.2321 16.0106 1.00 0.00 WATR
+ATOM 738 HT HOH 104 -10.297 -0.6927 15.9895 1.00 0.00 WATR
+ATOM 739 HT HOH 104 -11.807 -0.6019 16.0296 1.00 0.00 WATR
+ATOM 740 OT HOH 105 -8.6310 1.23182 16.0206 1.00 0.00 WATR
+ATOM 741 HT HOH 105 -7.8149 1.71786 15.9025 1.00 0.00 WATR
+ATOM 742 HT HOH 105 -9.3172 1.89629 15.9585 1.00 0.00 WATR
+ATOM 743 OT HOH 106 -8.6191 -1.2312 18.4801 1.00 0.00 WATR
+ATOM 744 HT HOH 106 -7.8703 -0.6417 18.3899 1.00 0.00 WATR
+ATOM 745 HT HOH 106 -9.3832 -0.6561 18.4409 1.00 0.00 WATR
+ATOM 746 OT HOH 107 -11.085 1.23032 18.4745 1.00 0.00 WATR
+ATOM 747 HT HOH 107 -10.307 1.78759 18.4616 1.00 0.00 WATR
+ATOM 748 HT HOH 107 -11.820 1.84387 18.4699 1.00 0.00 WATR
+ATOM 749 OT HOH 108 -11.094 3.69724 -18.475 1.00 0.00 WATR
+ATOM 750 HT HOH 108 -10.266 4.17044 -18.394 1.00 0.00 WATR
+ATOM 751 HT HOH 108 -11.761 4.38322 -18.497 1.00 0.00 WATR
+ATOM 752 OT HOH 109 -8.6267 6.15958 -18.493 1.00 0.00 WATR
+ATOM 753 HT HOH 109 -7.8046 6.61379 -18.308 1.00 0.00 WATR
+ATOM 754 HT HOH 109 -9.3065 6.80321 -18.293 1.00 0.00 WATR
+ATOM 755 OT HOH 110 -8.6308 3.69936 -16.037 1.00 0.00 WATR
+ATOM 756 HT HOH 110 -7.8188 4.15539 -15.816 1.00 0.00 WATR
+ATOM 757 HT HOH 110 -9.3246 4.30673 -15.781 1.00 0.00 WATR
+ATOM 758 OT HOH 111 -11.093 6.16399 -16.045 1.00 0.00 WATR
+ATOM 759 HT HOH 111 -10.280 6.57133 -15.745 1.00 0.00 WATR
+ATOM 760 HT HOH 111 -11.784 6.73860 -15.718 1.00 0.00 WATR
+ATOM 761 OT HOH 112 -11.090 6.15864 -6.1434 1.00 0.00 WATR
+ATOM 762 HT HOH 112 -10.310 6.70321 -6.2465 1.00 0.00 WATR
+ATOM 763 HT HOH 112 -11.822 6.76198 -6.2703 1.00 0.00 WATR
+ATOM 764 OT HOH 113 -11.086 3.69783 -3.6727 1.00 0.00 WATR
+ATOM 765 HT HOH 113 -10.311 4.22929 -3.8513 1.00 0.00 WATR
+ATOM 766 HT HOH 113 -11.824 4.27139 -3.8820 1.00 0.00 WATR
+ATOM 767 OT HOH 114 -8.6256 6.15862 -3.6792 1.00 0.00 WATR
+ATOM 768 HT HOH 114 -7.8426 6.70092 -3.7738 1.00 0.00 WATR
+ATOM 769 HT HOH 114 -9.3547 6.76528 -3.8083 1.00 0.00 WATR
+ATOM 770 OT HOH 115 -8.6318 3.69793 -1.2128 1.00 0.00 WATR
+ATOM 771 HT HOH 115 -7.8168 4.18424 -1.3376 1.00 0.00 WATR
+ATOM 772 HT HOH 115 -9.3221 4.33747 -1.3879 1.00 0.00 WATR
+ATOM 773 OT HOH 116 -11.090 6.15948 -1.2159 1.00 0.00 WATR
+ATOM 774 HT HOH 116 -10.291 6.68008 -1.2973 1.00 0.00 WATR
+ATOM 775 HT HOH 116 -11.800 6.78346 -1.3690 1.00 0.00 WATR
+ATOM 776 OT HOH 117 -11.090 3.69916 1.25355 1.00 0.00 WATR
+ATOM 777 HT HOH 117 -10.286 4.19313 1.09137 1.00 0.00 WATR
+ATOM 778 HT HOH 117 -11.794 4.31112 1.04128 1.00 0.00 WATR
+ATOM 779 OT HOH 118 -8.6332 3.69389 13.5592 1.00 0.00 WATR
+ATOM 780 HT HOH 118 -7.8001 4.15695 13.4710 1.00 0.00 WATR
+ATOM 781 HT HOH 118 -9.2981 4.37538 13.4610 1.00 0.00 WATR
+ATOM 782 OT HOH 119 -11.089 6.15485 13.5458 1.00 0.00 WATR
+ATOM 783 HT HOH 119 -10.288 6.67348 13.6126 1.00 0.00 WATR
+ATOM 784 HT HOH 119 -11.797 6.79504 13.6249 1.00 0.00 WATR
+ATOM 785 OT HOH 120 -11.088 3.69179 16.0131 1.00 0.00 WATR
+ATOM 786 HT HOH 120 -10.291 4.22104 15.9924 1.00 0.00 WATR
+ATOM 787 HT HOH 120 -11.801 4.33045 15.9909 1.00 0.00 WATR
+ATOM 788 OT HOH 121 -8.6287 6.15736 16.0087 1.00 0.00 WATR
+ATOM 789 HT HOH 121 -7.7980 6.63212 16.0344 1.00 0.00 WATR
+ATOM 790 HT HOH 121 -9.2973 6.84115 16.0497 1.00 0.00 WATR
+ATOM 791 OT HOH 122 -8.6248 3.69337 18.4731 1.00 0.00 WATR
+ATOM 792 HT HOH 122 -7.8207 4.21247 18.4891 1.00 0.00 WATR
+ATOM 793 HT HOH 122 -9.3291 4.34097 18.4999 1.00 0.00 WATR
+ATOM 794 OT HOH 123 -11.081 6.15172 18.4644 1.00 0.00 WATR
+ATOM 795 HT HOH 123 -10.257 6.62862 18.5632 1.00 0.00 WATR
+ATOM 796 HT HOH 123 -11.759 6.81854 18.5743 1.00 0.00 WATR
+ATOM 797 OT HOH 124 -11.100 8.63025 -18.505 1.00 0.00 WATR
+ATOM 798 HT HOH 124 -10.250 9.02367 -18.308 1.00 0.00 WATR
+ATOM 799 HT HOH 124 -11.739 9.26152 -18.174 1.00 0.00 WATR
+ATOM 800 OT HOH 125 -8.6314 11.0881 -18.466 1.00 0.00 WATR
+ATOM 801 HT HOH 125 -7.8075 11.5556 -18.603 1.00 0.00 WATR
+ATOM 802 HT HOH 125 -9.3091 11.7480 -18.613 1.00 0.00 WATR
+ATOM 803 OT HOH 126 -8.6342 8.62197 -16.040 1.00 0.00 WATR
+ATOM 804 HT HOH 126 -7.7936 9.01825 -15.811 1.00 0.00 WATR
+ATOM 805 HT HOH 126 -9.2857 9.27189 -15.777 1.00 0.00 WATR
+ATOM 806 OT HOH 127 -11.097 11.0795 -16.031 1.00 0.00 WATR
+ATOM 807 HT HOH 127 -10.337 11.6398 -15.877 1.00 0.00 WATR
+ATOM 808 HT HOH 127 -11.850 11.6455 -15.861 1.00 0.00 WATR
+ATOM 809 OT HOH 128 -11.096 8.62655 -13.580 1.00 0.00 WATR
+ATOM 810 HT HOH 128 -10.285 9.07360 -13.339 1.00 0.00 WATR
+ATOM 811 HT HOH 128 -11.791 9.22565 -13.306 1.00 0.00 WATR
+ATOM 812 OT HOH 129 -8.6337 11.0981 -13.579 1.00 0.00 WATR
+ATOM 813 HT HOH 129 -7.8076 11.4696 -13.269 1.00 0.00 WATR
+ATOM 814 HT HOH 129 -9.3061 11.6805 -13.225 1.00 0.00 WATR
+ATOM 815 OT HOH 130 -8.6208 8.62717 -11.073 1.00 0.00 WATR
+ATOM 816 HT HOH 130 -7.8429 9.16134 -11.233 1.00 0.00 WATR
+ATOM 817 HT HOH 130 -9.3551 9.22644 -11.207 1.00 0.00 WATR
+ATOM 818 OT HOH 131 -11.077 11.0916 -11.091 1.00 0.00 WATR
+ATOM 819 HT HOH 131 -10.381 11.7480 -11.060 1.00 0.00 WATR
+ATOM 820 HT HOH 131 -11.883 11.5897 -10.956 1.00 0.00 WATR
+ATOM 821 OT HOH 132 -11.100 8.61574 -8.6214 1.00 0.00 WATR
+ATOM 822 HT HOH 132 -10.340 9.19725 -8.5884 1.00 0.00 WATR
+ATOM 823 HT HOH 132 -11.854 9.20427 -8.5913 1.00 0.00 WATR
+ATOM 824 SOD ION 133 -8.6118 11.0799 -8.6087 1.00 0.00 SALT
+ATOM 825 OT HOH 134 -8.6225 8.63027 -6.1767 1.00 0.00 WATR
+ATOM 826 HT HOH 134 -7.8410 9.10880 -5.9001 1.00 0.00 WATR
+ATOM 827 HT HOH 134 -9.3524 9.19368 -5.9196 1.00 0.00 WATR
+ATOM 828 OT HOH 135 -11.076 11.0926 -6.1784 1.00 0.00 WATR
+ATOM 829 HT HOH 135 -10.377 11.6866 -5.9061 1.00 0.00 WATR
+ATOM 830 HT HOH 135 -11.880 11.6008 -6.0667 1.00 0.00 WATR
+ATOM 831 OT HOH 136 -11.087 8.62266 -3.6927 1.00 0.00 WATR
+ATOM 832 HT HOH 136 -10.292 9.15323 -3.6360 1.00 0.00 WATR
+ATOM 833 HT HOH 136 -11.800 9.26055 -3.7164 1.00 0.00 WATR
+ATOM 834 OT HOH 137 -8.6329 11.0881 -3.7195 1.00 0.00 WATR
+ATOM 835 HT HOH 137 -7.8023 11.4980 -3.4781 1.00 0.00 WATR
+ATOM 836 HT HOH 137 -9.2943 11.7510 -3.5211 1.00 0.00 WATR
+ATOM 837 OT HOH 138 -11.099 11.0850 -1.2360 1.00 0.00 WATR
+ATOM 838 HT HOH 138 -10.256 11.5350 -1.1895 1.00 0.00 WATR
+ATOM 839 HT HOH 138 -11.747 11.7893 -1.2353 1.00 0.00 WATR
+ATOM 840 OT HOH 139 -8.6276 11.0861 1.23589 1.00 0.00 WATR
+ATOM 841 HT HOH 139 -7.8249 11.6014 1.15608 1.00 0.00 WATR
+ATOM 842 HT HOH 139 -9.3331 11.7306 1.17918 1.00 0.00 WATR
+ATOM 843 OT HOH 140 -11.107 11.0941 3.71963 1.00 0.00 WATR
+ATOM 844 HT HOH 140 -10.234 11.4318 3.51796 1.00 0.00 WATR
+ATOM 845 HT HOH 140 -11.697 11.8210 3.52115 1.00 0.00 WATR
+ATOM 846 OT HOH 141 -11.101 8.63049 6.18819 1.00 0.00 WATR
+ATOM 847 HT HOH 141 -10.254 8.95531 5.88260 1.00 0.00 WATR
+ATOM 848 HT HOH 141 -11.724 9.31181 5.93639 1.00 0.00 WATR
+ATOM 849 OT HOH 142 -8.6318 11.0965 6.19383 1.00 0.00 WATR
+ATOM 850 HT HOH 142 -7.8289 11.5250 5.89706 1.00 0.00 WATR
+ATOM 851 HT HOH 142 -9.3355 11.6739 5.89773 1.00 0.00 WATR
+ATOM 852 OT HOH 143 -8.6343 8.64160 8.65782 1.00 0.00 WATR
+ATOM 853 HT HOH 143 -7.7839 9.00911 8.41705 1.00 0.00 WATR
+ATOM 854 HT HOH 143 -9.2726 9.21939 8.23947 1.00 0.00 WATR
+ATOM 855 OT HOH 144 -11.092 11.0908 8.65797 1.00 0.00 WATR
+ATOM 856 HT HOH 144 -10.286 11.5207 8.37362 1.00 0.00 WATR
+ATOM 857 HT HOH 144 -11.790 11.6899 8.39266 1.00 0.00 WATR
+ATOM 858 SOD ION 145 -11.061 8.60783 11.0452 1.00 0.00 SALT
+ATOM 859 OT HOH 146 -8.6500 11.0990 11.1157 1.00 0.00 WATR
+ATOM 860 HT HOH 146 -7.7581 11.3927 10.9298 1.00 0.00 WATR
+ATOM 861 HT HOH 146 -9.2083 11.8010 10.7814 1.00 0.00 WATR
+ATOM 862 OT HOH 147 -8.6301 8.62170 13.5498 1.00 0.00 WATR
+ATOM 863 HT HOH 147 -7.7455 8.98014 13.4769 1.00 0.00 WATR
+ATOM 864 HT HOH 147 -9.1980 9.39101 13.5933 1.00 0.00 WATR
+ATOM 865 SOD ION 148 -11.072 11.1159 13.5461 1.00 0.00 SALT
+ATOM 866 OT HOH 149 -11.097 8.63143 15.9965 1.00 0.00 WATR
+ATOM 867 HT HOH 149 -10.264 9.04734 16.2206 1.00 0.00 WATR
+ATOM 868 HT HOH 149 -11.751 9.31829 16.1261 1.00 0.00 WATR
+ATOM 869 OT HOH 150 -8.6409 11.0916 15.9970 1.00 0.00 WATR
+ATOM 870 HT HOH 150 -7.7701 11.4864 16.0423 1.00 0.00 WATR
+ATOM 871 HT HOH 150 -9.2421 11.8155 16.1722 1.00 0.00 WATR
+ATOM 872 OT HOH 151 -8.6333 8.62399 18.4604 1.00 0.00 WATR
+ATOM 873 HT HOH 151 -7.7861 9.05658 18.5675 1.00 0.00 WATR
+ATOM 874 HT HOH 151 -9.2767 9.32026 18.5926 1.00 0.00 WATR
+ATOM 875 OT HOH 152 -11.094 11.0855 18.4608 1.00 0.00 WATR
+ATOM 876 HT HOH 152 -10.283 11.5879 18.5366 1.00 0.00 WATR
+ATOM 877 HT HOH 152 -11.789 11.7348 18.5675 1.00 0.00 WATR
+ATOM 878 OT HOH 153 -6.1766 -11.075 -18.463 1.00 0.00 WATR
+ATOM 879 HT HOH 153 -5.3135 -10.662 -18.492 1.00 0.00 WATR
+ATOM 880 HT HOH 153 -6.7894 -10.363 -18.647 1.00 0.00 WATR
+ATOM 881 OT HOH 154 -3.6997 -8.6191 -18.475 1.00 0.00 WATR
+ATOM 882 HT HOH 154 -2.9133 -8.0736 -18.460 1.00 0.00 WATR
+ATOM 883 HT HOH 154 -4.4249 -7.9945 -18.484 1.00 0.00 WATR
+ATOM 884 OT HOH 155 -3.7033 -11.077 -16.026 1.00 0.00 WATR
+ATOM 885 HT HOH 155 -2.8806 -10.605 -15.900 1.00 0.00 WATR
+ATOM 886 HT HOH 155 -4.3817 -10.410 -15.924 1.00 0.00 WATR
+ATOM 887 OT HOH 156 -6.1799 -8.6149 -16.002 1.00 0.00 WATR
+ATOM 888 HT HOH 156 -5.3149 -8.2050 -16.011 1.00 0.00 WATR
+ATOM 889 HT HOH 156 -6.7903 -7.8901 -16.137 1.00 0.00 WATR
+ATOM 890 OT HOH 157 -6.1766 -11.073 -13.573 1.00 0.00 WATR
+ATOM 891 HT HOH 157 -5.2723 -10.801 -13.417 1.00 0.00 WATR
+ATOM 892 HT HOH 157 -6.7059 -10.344 -13.249 1.00 0.00 WATR
+ATOM 893 OT HOH 158 -3.7034 -8.6160 -13.560 1.00 0.00 WATR
+ATOM 894 HT HOH 158 -2.8898 -8.1231 -13.453 1.00 0.00 WATR
+ATOM 895 HT HOH 158 -4.3954 -7.9652 -13.443 1.00 0.00 WATR
+ATOM 896 OT HOH 159 -3.7026 -11.080 -11.094 1.00 0.00 WATR
+ATOM 897 HT HOH 159 -2.8868 -10.591 -10.987 1.00 0.00 WATR
+ATOM 898 HT HOH 159 -4.3919 -10.429 -10.961 1.00 0.00 WATR
+ATOM 899 OT HOH 160 -6.1752 -8.6085 -11.114 1.00 0.00 WATR
+ATOM 900 HT HOH 160 -5.3293 -8.2064 -10.917 1.00 0.00 WATR
+ATOM 901 HT HOH 160 -6.8208 -7.9868 -10.778 1.00 0.00 WATR
+ATOM 902 OT HOH 161 -6.1721 -11.079 -8.6392 1.00 0.00 WATR
+ATOM 903 HT HOH 161 -5.3387 -10.631 -8.4967 1.00 0.00 WATR
+ATOM 904 HT HOH 161 -6.8365 -10.412 -8.4685 1.00 0.00 WATR
+ATOM 905 OT HOH 162 -3.7018 -8.6168 -8.6389 1.00 0.00 WATR
+ATOM 906 HT HOH 162 -2.9088 -8.0996 -8.4980 1.00 0.00 WATR
+ATOM 907 HT HOH 162 -4.4195 -8.0073 -8.4664 1.00 0.00 WATR
+ATOM 908 OT HOH 163 -3.7053 -11.078 -6.1856 1.00 0.00 WATR
+ATOM 909 HT HOH 163 -2.8772 -10.651 -5.9661 1.00 0.00 WATR
+ATOM 910 HT HOH 163 -4.3765 -10.444 -5.9325 1.00 0.00 WATR
+ATOM 911 OT HOH 164 -6.1714 -11.073 -3.7229 1.00 0.00 WATR
+ATOM 912 HT HOH 164 -5.3356 -10.667 -3.4926 1.00 0.00 WATR
+ATOM 913 HT HOH 164 -6.8271 -10.408 -3.5103 1.00 0.00 WATR
+ATOM 914 OT HOH 165 -3.6998 -8.6162 -3.7183 1.00 0.00 WATR
+ATOM 915 HT HOH 165 -2.9448 -8.0709 -3.4971 1.00 0.00 WATR
+ATOM 916 HT HOH 165 -4.4568 -8.0494 -3.5706 1.00 0.00 WATR
+ATOM 917 OT HOH 166 -3.6899 -11.068 3.74115 1.00 0.00 WATR
+ATOM 918 HT HOH 166 -2.9757 -10.569 3.34431 1.00 0.00 WATR
+ATOM 919 HT HOH 166 -4.4836 -10.705 3.34849 1.00 0.00 WATR
+ATOM 920 OT HOH 167 -6.1596 -8.6169 3.72057 1.00 0.00 WATR
+ATOM 921 HT HOH 167 -5.3954 -8.0942 3.47796 1.00 0.00 WATR
+ATOM 922 HT HOH 167 -6.9058 -8.0380 3.56447 1.00 0.00 WATR
+ATOM 923 OT HOH 168 -6.1564 -11.079 6.18531 1.00 0.00 WATR
+ATOM 924 HT HOH 168 -5.4256 -10.508 5.94676 1.00 0.00 WATR
+ATOM 925 HT HOH 168 -6.9380 -10.575 5.95787 1.00 0.00 WATR
+ATOM 926 OT HOH 169 -3.6959 -11.086 8.62014 1.00 0.00 WATR
+ATOM 927 HT HOH 169 -2.9341 -10.506 8.61017 1.00 0.00 WATR
+ATOM 928 HT HOH 169 -4.4478 -10.494 8.59291 1.00 0.00 WATR
+ATOM 929 OT HOH 170 -6.1589 -8.6192 8.63756 1.00 0.00 WATR
+ATOM 930 HT HOH 170 -5.4150 -8.0386 8.47692 1.00 0.00 WATR
+ATOM 931 HT HOH 170 -6.9286 -8.0713 8.48413 1.00 0.00 WATR
+ATOM 932 OT HOH 171 -6.1640 -11.081 11.0953 1.00 0.00 WATR
+ATOM 933 HT HOH 171 -5.3712 -10.550 11.0190 1.00 0.00 WATR
+ATOM 934 HT HOH 171 -6.8819 -10.458 10.9840 1.00 0.00 WATR
+ATOM 935 OT HOH 172 -3.6976 -8.6204 11.0883 1.00 0.00 WATR
+ATOM 936 HT HOH 172 -2.9480 -8.0263 11.0533 1.00 0.00 WATR
+ATOM 937 HT HOH 172 -4.4618 -8.0448 11.0563 1.00 0.00 WATR
+ATOM 938 OT HOH 173 -3.6983 -11.083 13.5530 1.00 0.00 WATR
+ATOM 939 HT HOH 173 -2.9205 -10.526 13.5139 1.00 0.00 WATR
+ATOM 940 HT HOH 173 -4.4334 -10.471 13.5046 1.00 0.00 WATR
+ATOM 941 OT HOH 174 -6.1616 -8.6205 13.5537 1.00 0.00 WATR
+ATOM 942 HT HOH 174 -5.3838 -8.0647 13.5069 1.00 0.00 WATR
+ATOM 943 HT HOH 174 -6.8966 -8.0103 13.4937 1.00 0.00 WATR
+ATOM 944 OT HOH 175 -6.1658 -11.083 16.0132 1.00 0.00 WATR
+ATOM 945 HT HOH 175 -5.3597 -10.567 15.9907 1.00 0.00 WATR
+ATOM 946 HT HOH 175 -6.8675 -10.432 15.9857 1.00 0.00 WATR
+ATOM 947 OT HOH 176 -3.6967 -8.6200 16.0127 1.00 0.00 WATR
+ATOM 948 HT HOH 176 -2.9296 -8.0476 16.0003 1.00 0.00 WATR
+ATOM 949 HT HOH 176 -4.4433 -8.0213 15.9892 1.00 0.00 WATR
+ATOM 950 OT HOH 177 -3.6995 -11.082 18.4707 1.00 0.00 WATR
+ATOM 951 HT HOH 177 -2.9128 -10.537 18.4969 1.00 0.00 WATR
+ATOM 952 HT HOH 177 -4.4244 -10.457 18.4776 1.00 0.00 WATR
+ATOM 953 OT HOH 178 -6.1637 -8.6199 18.4783 1.00 0.00 WATR
+ATOM 954 HT HOH 178 -5.3737 -8.0802 18.4492 1.00 0.00 WATR
+ATOM 955 HT HOH 178 -6.8849 -7.9921 18.4345 1.00 0.00 WATR
+ATOM 956 OT HOH 179 -6.1623 -6.1580 -18.469 1.00 0.00 WATR
+ATOM 957 HT HOH 179 -5.3886 -5.5958 -18.510 1.00 0.00 WATR
+ATOM 958 HT HOH 179 -6.9019 -5.5520 -18.513 1.00 0.00 WATR
+ATOM 959 OT HOH 180 -3.6967 -3.6935 -18.466 1.00 0.00 WATR
+ATOM 960 HT HOH 180 -2.9488 -3.0979 -18.511 1.00 0.00 WATR
+ATOM 961 HT HOH 180 -4.4616 -3.1260 -18.562 1.00 0.00 WATR
+ATOM 962 OT HOH 181 -3.7004 -6.1595 -16.013 1.00 0.00 WATR
+ATOM 963 HT HOH 181 -2.9271 -5.5960 -15.986 1.00 0.00 WATR
+ATOM 964 HT HOH 181 -4.4402 -5.5522 -16.006 1.00 0.00 WATR
+ATOM 965 OT HOH 182 -6.1600 -3.6911 -15.994 1.00 0.00 WATR
+ATOM 966 HT HOH 182 -5.4183 -3.1213 -16.198 1.00 0.00 WATR
+ATOM 967 HT HOH 182 -6.9317 -3.1590 -16.188 1.00 0.00 WATR
+ATOM 968 OT HOH 183 -6.1672 -6.1609 -13.560 1.00 0.00 WATR
+ATOM 969 HT HOH 183 -5.3757 -5.6345 -13.448 1.00 0.00 WATR
+ATOM 970 HT HOH 183 -6.8867 -5.5416 -13.438 1.00 0.00 WATR
+ATOM 971 OT HOH 184 -3.6877 -3.6981 -13.560 1.00 0.00 WATR
+ATOM 972 HT HOH 184 -2.9104 -3.1447 -13.482 1.00 0.00 WATR
+ATOM 973 HT HOH 184 -4.4224 -3.1006 -13.420 1.00 0.00 WATR
+ATOM 974 OT HOH 185 -3.6995 -6.1554 -11.100 1.00 0.00 WATR
+ATOM 975 HT HOH 185 -2.9310 -5.6011 -10.964 1.00 0.00 WATR
+ATOM 976 HT HOH 185 -4.4445 -5.5744 -10.946 1.00 0.00 WATR
+ATOM 977 OT HOH 186 -6.1571 -3.6727 -11.122 1.00 0.00 WATR
+ATOM 978 HT HOH 186 -5.4156 -3.2360 -10.703 1.00 0.00 WATR
+ATOM 979 HT HOH 186 -6.9275 -3.3129 -10.682 1.00 0.00 WATR
+ATOM 980 OT HOH 187 -6.1608 -6.1525 -8.6486 1.00 0.00 WATR
+ATOM 981 HT HOH 187 -5.4044 -5.6136 -8.4170 1.00 0.00 WATR
+ATOM 982 HT HOH 187 -6.9182 -5.6203 -8.4051 1.00 0.00 WATR
+ATOM 983 OT HOH 188 -6.1698 -3.6876 3.72641 1.00 0.00 WATR
+ATOM 984 HT HOH 188 -5.3605 -3.2665 3.43693 1.00 0.00 WATR
+ATOM 985 HT HOH 188 -6.8651 -3.0993 3.43165 1.00 0.00 WATR
+ATOM 986 OT HOH 189 -6.1623 -6.1523 6.18137 1.00 0.00 WATR
+ATOM 987 HT HOH 189 -5.3821 -5.6413 5.96603 1.00 0.00 WATR
+ATOM 988 HT HOH 189 -6.8945 -5.5759 5.96288 1.00 0.00 WATR
+ATOM 989 OT HOH 190 -6.1583 -6.1549 11.0941 1.00 0.00 WATR
+ATOM 990 HT HOH 190 -5.4059 -5.5695 11.0081 1.00 0.00 WATR
+ATOM 991 HT HOH 190 -6.9197 -5.5804 11.0141 1.00 0.00 WATR
+ATOM 992 OT HOH 191 -3.6947 -6.1543 13.5520 1.00 0.00 WATR
+ATOM 993 HT HOH 191 -2.9437 -5.5638 13.4929 1.00 0.00 WATR
+ATOM 994 HT HOH 191 -4.4576 -5.5789 13.4957 1.00 0.00 WATR
+ATOM 995 OT HOH 192 -6.1600 -6.1566 16.0122 1.00 0.00 WATR
+ATOM 996 HT HOH 192 -5.3920 -5.5854 15.9978 1.00 0.00 WATR
+ATOM 997 HT HOH 192 -6.9056 -5.5563 16.0074 1.00 0.00 WATR
+ATOM 998 OT HOH 193 -3.6942 -3.6937 16.0252 1.00 0.00 WATR
+ATOM 999 HT HOH 193 -2.9514 -3.1071 15.8825 1.00 0.00 WATR
+ATOM 1000 HT HOH 193 -4.4642 -3.1533 15.8484 1.00 0.00 WATR
+ATOM 1001 OT HOH 194 -3.6962 -6.1571 18.4768 1.00 0.00 WATR
+ATOM 1002 HT HOH 194 -2.9340 -5.5786 18.4512 1.00 0.00 WATR
+ATOM 1003 HT HOH 194 -4.4478 -5.5654 18.4437 1.00 0.00 WATR
+ATOM 1004 OT HOH 195 -6.1585 -3.6933 18.4767 1.00 0.00 WATR
+ATOM 1005 HT HOH 195 -5.4052 -3.1035 18.4480 1.00 0.00 WATR
+ATOM 1006 HT HOH 195 -6.9190 -3.1121 18.4620 1.00 0.00 WATR
+ATOM 1007 OT HOH 196 -6.1574 -1.2290 -18.461 1.00 0.00 WATR
+ATOM 1008 HT HOH 196 -5.4241 -0.6219 -18.561 1.00 0.00 WATR
+ATOM 1009 HT HOH 196 -6.9367 -0.6844 -18.571 1.00 0.00 WATR
+ATOM 1010 SOD ION 197 -6.1608 -1.1996 -13.530 1.00 0.00 SALT
+ATOM 1011 OT HOH 198 -6.1661 -1.2238 1.25658 1.00 0.00 WATR
+ATOM 1012 HT HOH 198 -5.3961 -0.6970 1.04234 1.00 0.00 WATR
+ATOM 1013 HT HOH 198 -6.9096 -0.6635 1.03426 1.00 0.00 WATR
+ATOM 1014 OT HOH 199 -3.6947 -1.2300 18.4843 1.00 0.00 WATR
+ATOM 1015 HT HOH 199 -2.9679 -0.6118 18.4078 1.00 0.00 WATR
+ATOM 1016 HT HOH 199 -4.4790 -0.6941 18.3661 1.00 0.00 WATR
+ATOM 1017 OT HOH 200 -6.1562 1.23004 18.4870 1.00 0.00 WATR
+ATOM 1018 HT HOH 200 -5.4199 1.83353 18.3876 1.00 0.00 WATR
+ATOM 1019 HT HOH 200 -6.9329 1.78323 18.4034 1.00 0.00 WATR
+ATOM 1020 OT HOH 201 -6.1622 3.69443 -18.482 1.00 0.00 WATR
+ATOM 1021 HT HOH 201 -5.3860 4.24779 -18.395 1.00 0.00 WATR
+ATOM 1022 HT HOH 201 -6.8990 4.30035 -18.403 1.00 0.00 WATR
+ATOM 1023 OT HOH 202 -6.1596 6.15882 -6.1476 1.00 0.00 WATR
+ATOM 1024 HT HOH 202 -5.3903 6.72427 -6.2162 1.00 0.00 WATR
+ATOM 1025 HT HOH 202 -6.9036 6.75264 -6.2477 1.00 0.00 WATR
+ATOM 1026 OT HOH 203 -6.1641 3.69505 -3.6840 1.00 0.00 WATR
+ATOM 1027 HT HOH 203 -5.3811 4.24153 -3.7511 1.00 0.00 WATR
+ATOM 1028 HT HOH 203 -6.8923 4.30129 -3.8200 1.00 0.00 WATR
+ATOM 1029 OT HOH 204 -6.1673 6.15946 13.5535 1.00 0.00 WATR
+ATOM 1030 HT HOH 204 -5.3358 6.63276 13.5250 1.00 0.00 WATR
+ATOM 1031 HT HOH 204 -6.8348 6.84319 13.4966 1.00 0.00 WATR
+ATOM 1032 OT HOH 205 -6.1630 3.69606 16.0218 1.00 0.00 WATR
+ATOM 1033 HT HOH 205 -5.3647 4.21929 15.9495 1.00 0.00 WATR
+ATOM 1034 HT HOH 205 -6.8743 4.33311 15.9556 1.00 0.00 WATR
+ATOM 1035 OT HOH 206 -3.6997 6.15616 16.0099 1.00 0.00 WATR
+ATOM 1036 HT HOH 206 -2.9000 6.68158 16.0357 1.00 0.00 WATR
+ATOM 1037 HT HOH 206 -4.4093 6.79841 16.0224 1.00 0.00 WATR
+ATOM 1038 OT HOH 207 -6.1676 6.15827 18.4656 1.00 0.00 WATR
+ATOM 1039 HT HOH 207 -5.3406 6.63074 18.5607 1.00 0.00 WATR
+ATOM 1040 HT HOH 207 -6.8412 6.83107 18.5651 1.00 0.00 WATR
+ATOM 1041 OT HOH 208 -6.1714 8.62409 -18.501 1.00 0.00 WATR
+ATOM 1042 HT HOH 208 -5.3310 9.00867 -18.252 1.00 0.00 WATR
+ATOM 1043 HT HOH 208 -6.8160 9.30026 -18.292 1.00 0.00 WATR
+ATOM 1044 OT HOH 209 -3.7063 11.0889 -18.498 1.00 0.00 WATR
+ATOM 1045 HT HOH 209 -2.8836 11.5393 -18.307 1.00 0.00 WATR
+ATOM 1046 HT HOH 209 -4.3833 11.7449 -18.332 1.00 0.00 WATR
+ATOM 1047 OT HOH 210 -6.1702 11.0835 -16.032 1.00 0.00 WATR
+ATOM 1048 HT HOH 210 -5.2887 11.4127 -15.857 1.00 0.00 WATR
+ATOM 1049 HT HOH 210 -6.7438 11.8304 -15.861 1.00 0.00 WATR
+ATOM 1050 OT HOH 211 -6.1787 11.0912 -11.079 1.00 0.00 WATR
+ATOM 1051 HT HOH 211 -5.3022 11.4756 -11.069 1.00 0.00 WATR
+ATOM 1052 HT HOH 211 -6.7699 11.8426 -11.125 1.00 0.00 WATR
+ATOM 1053 OT HOH 212 -6.1498 8.61564 -8.6243 1.00 0.00 WATR
+ATOM 1054 HT HOH 212 -5.3465 9.13402 -8.5781 1.00 0.00 WATR
+ATOM 1055 HT HOH 212 -6.8551 9.26073 -8.5719 1.00 0.00 WATR
+ATOM 1056 OT HOH 213 -3.7009 11.0866 -8.6348 1.00 0.00 WATR
+ATOM 1057 HT HOH 213 -2.8878 11.5706 -8.4904 1.00 0.00 WATR
+ATOM 1058 HT HOH 213 -4.3931 11.7311 -8.4876 1.00 0.00 WATR
+ATOM 1059 OT HOH 214 -6.1780 11.0993 -6.1939 1.00 0.00 WATR
+ATOM 1060 HT HOH 214 -5.3121 11.4066 -5.9255 1.00 0.00 WATR
+ATOM 1061 HT HOH 214 -6.7861 11.7330 -5.8135 1.00 0.00 WATR
+ATOM 1062 SOD ION 215 -3.6942 11.0738 6.13983 1.00 0.00 SALT
+ATOM 1063 OT HOH 216 -6.1617 11.0888 8.62798 1.00 0.00 WATR
+ATOM 1064 HT HOH 216 -5.3969 11.6638 8.65506 1.00 0.00 WATR
+ATOM 1065 HT HOH 216 -6.9009 11.6794 8.48319 1.00 0.00 WATR
+ATOM 1066 OT HOH 217 -3.6998 11.0882 11.0935 1.00 0.00 WATR
+ATOM 1067 HT HOH 217 -2.9115 11.6278 11.0329 1.00 0.00 WATR
+ATOM 1068 HT HOH 217 -4.4230 11.7103 11.0161 1.00 0.00 WATR
+ATOM 1069 OT HOH 218 -3.7058 8.62256 13.5579 1.00 0.00 WATR
+ATOM 1070 HT HOH 218 -2.8879 9.10973 13.4582 1.00 0.00 WATR
+ATOM 1071 HT HOH 218 -4.3921 9.28068 13.4480 1.00 0.00 WATR
+ATOM 1072 OT HOH 219 -6.1699 11.0869 13.5595 1.00 0.00 WATR
+ATOM 1073 HT HOH 219 -5.3319 11.5408 13.4703 1.00 0.00 WATR
+ATOM 1074 HT HOH 219 -6.8274 11.7754 13.4609 1.00 0.00 WATR
+ATOM 1075 OT HOH 220 -6.1677 8.62180 16.0072 1.00 0.00 WATR
+ATOM 1076 HT HOH 220 -5.3320 9.08791 16.0313 1.00 0.00 WATR
+ATOM 1077 HT HOH 220 -6.8290 9.31248 16.0497 1.00 0.00 WATR
+ATOM 1078 OT HOH 221 -3.7005 11.0851 16.0100 1.00 0.00 WATR
+ATOM 1079 HT HOH 221 -2.9047 11.6169 16.0152 1.00 0.00 WATR
+ATOM 1080 HT HOH 221 -4.4149 11.7221 16.0102 1.00 0.00 WATR
+ATOM 1081 OT HOH 222 -3.7046 8.62226 18.4571 1.00 0.00 WATR
+ATOM 1082 HT HOH 222 -2.8911 9.10340 18.6082 1.00 0.00 WATR
+ATOM 1083 HT HOH 222 -4.3961 9.26691 18.6071 1.00 0.00 WATR
+ATOM 1084 OT HOH 223 -6.1684 11.0859 18.4673 1.00 0.00 WATR
+ATOM 1085 HT HOH 223 -5.3400 11.5625 18.5209 1.00 0.00 WATR
+ATOM 1086 HT HOH 223 -6.8398 11.7677 18.4951 1.00 0.00 WATR
+ATOM 1087 OT HOH 224 -1.2284 -11.079 -18.485 1.00 0.00 WATR
+ATOM 1088 HT HOH 224 -0.4993 -10.466 -18.392 1.00 0.00 WATR
+ATOM 1089 HT HOH 224 -2.0116 -10.535 -18.401 1.00 0.00 WATR
+ATOM 1090 OT HOH 225 1.24322 -8.6192 -18.478 1.00 0.00 WATR
+ATOM 1091 HT HOH 225 1.94218 -7.9665 -18.437 1.00 0.00 WATR
+ATOM 1092 HT HOH 225 0.43500 -8.1066 -18.463 1.00 0.00 WATR
+ATOM 1093 OT HOH 226 1.24768 -11.069 -16.042 1.00 0.00 WATR
+ATOM 1094 HT HOH 226 1.87762 -10.465 -15.649 1.00 0.00 WATR
+ATOM 1095 HT HOH 226 0.39273 -10.688 -15.842 1.00 0.00 WATR
+ATOM 1096 OT HOH 227 -1.2327 -8.6198 -16.021 1.00 0.00 WATR
+ATOM 1097 HT HOH 227 -0.4796 -8.0362 -15.929 1.00 0.00 WATR
+ATOM 1098 HT HOH 227 -1.9933 -8.0434 -15.947 1.00 0.00 WATR
+ATOM 1099 OT HOH 228 -1.2250 -11.078 -13.562 1.00 0.00 WATR
+ATOM 1100 HT HOH 228 -0.4825 -10.491 -13.422 1.00 0.00 WATR
+ATOM 1101 HT HOH 228 -1.9960 -10.525 -13.437 1.00 0.00 WATR
+ATOM 1102 OT HOH 229 1.22391 -8.6185 -13.560 1.00 0.00 WATR
+ATOM 1103 HT HOH 229 2.00208 -8.0677 -13.475 1.00 0.00 WATR
+ATOM 1104 HT HOH 229 0.48924 -8.0124 -13.465 1.00 0.00 WATR
+ATOM 1105 OT HOH 230 1.23531 -11.083 -11.099 1.00 0.00 WATR
+ATOM 1106 HT HOH 230 1.97790 -10.490 -10.988 1.00 0.00 WATR
+ATOM 1107 HT HOH 230 0.46463 -10.530 -10.971 1.00 0.00 WATR
+ATOM 1108 OT HOH 231 -1.2355 -8.6190 -11.099 1.00 0.00 WATR
+ATOM 1109 HT HOH 231 -0.4749 -8.0533 -10.966 1.00 0.00 WATR
+ATOM 1110 HT HOH 231 -1.9887 -8.0440 -10.963 1.00 0.00 WATR
+ATOM 1111 OT HOH 232 -1.2344 -11.081 -8.6440 1.00 0.00 WATR
+ATOM 1112 HT HOH 232 -0.4572 -10.559 -8.4448 1.00 0.00 WATR
+ATOM 1113 HT HOH 232 -1.9699 -10.500 -8.4505 1.00 0.00 WATR
+ATOM 1114 OT HOH 233 1.22985 -8.6158 -8.6434 1.00 0.00 WATR
+ATOM 1115 HT HOH 233 1.97482 -8.0512 -8.4374 1.00 0.00 WATR
+ATOM 1116 HT HOH 233 0.46125 -8.0835 -8.4382 1.00 0.00 WATR
+ATOM 1117 OT HOH 234 1.23130 -11.077 -6.1829 1.00 0.00 WATR
+ATOM 1118 HT HOH 234 1.98226 -10.516 -5.9904 1.00 0.00 WATR
+ATOM 1119 HT HOH 234 0.46852 -10.535 -5.9822 1.00 0.00 WATR
+ATOM 1120 OT HOH 235 -1.2313 -8.6166 -6.1775 1.00 0.00 WATR
+ATOM 1121 HT HOH 235 -0.4655 -8.0663 -6.0134 1.00 0.00 WATR
+ATOM 1122 HT HOH 235 -1.9791 -8.0485 -5.9926 1.00 0.00 WATR
+ATOM 1123 OT HOH 236 -1.2346 -11.081 -3.7042 1.00 0.00 WATR
+ATOM 1124 HT HOH 236 -0.4647 -10.516 -3.6456 1.00 0.00 WATR
+ATOM 1125 HT HOH 236 -1.9768 -10.490 -3.5777 1.00 0.00 WATR
+ATOM 1126 OT HOH 237 1.23376 -8.6178 -3.7038 1.00 0.00 WATR
+ATOM 1127 HT HOH 237 1.96922 -8.0102 -3.6252 1.00 0.00 WATR
+ATOM 1128 HT HOH 237 0.45714 -8.0713 -3.5838 1.00 0.00 WATR
+ATOM 1129 OT HOH 238 1.23724 -11.077 -1.2051 1.00 0.00 WATR
+ATOM 1130 HT HOH 238 1.94679 -10.473 -1.4251 1.00 0.00 WATR
+ATOM 1131 HT HOH 238 0.43761 -10.575 -1.3618 1.00 0.00 WATR
+ATOM 1132 OT HOH 239 1.23566 -11.081 3.71068 1.00 0.00 WATR
+ATOM 1133 HT HOH 239 1.96489 -10.466 3.63139 1.00 0.00 WATR
+ATOM 1134 HT HOH 239 0.45559 -10.550 3.54906 1.00 0.00 WATR
+ATOM 1135 OT HOH 240 -1.2329 -11.082 6.17160 1.00 0.00 WATR
+ATOM 1136 HT HOH 240 -0.4580 -10.529 6.07063 1.00 0.00 WATR
+ATOM 1137 HT HOH 240 -1.9711 -10.485 6.04714 1.00 0.00 WATR
+ATOM 1138 OT HOH 241 1.23522 -11.081 8.63137 1.00 0.00 WATR
+ATOM 1139 HT HOH 241 1.97218 -10.481 8.52023 1.00 0.00 WATR
+ATOM 1140 HT HOH 241 0.45918 -10.528 8.54289 1.00 0.00 WATR
+ATOM 1141 OT HOH 242 -1.2318 -8.6146 8.64059 1.00 0.00 WATR
+ATOM 1142 HT HOH 242 -0.4738 -8.1085 8.34828 1.00 0.00 WATR
+ATOM 1143 HT HOH 242 -1.9833 -8.0533 8.44941 1.00 0.00 WATR
+ATOM 1144 OT HOH 243 -1.2312 -11.082 11.0905 1.00 0.00 WATR
+ATOM 1145 HT HOH 243 -0.4773 -10.496 11.0279 1.00 0.00 WATR
+ATOM 1146 HT HOH 243 -1.9911 -10.503 11.0394 1.00 0.00 WATR
+ATOM 1147 OT HOH 244 1.23566 -8.6211 11.0909 1.00 0.00 WATR
+ATOM 1148 HT HOH 244 1.98839 -8.0323 11.0363 1.00 0.00 WATR
+ATOM 1149 HT HOH 244 0.47453 -8.0429 11.0400 1.00 0.00 WATR
+ATOM 1150 OT HOH 245 1.23576 -11.083 13.5538 1.00 0.00 WATR
+ATOM 1151 HT HOH 245 1.96307 -10.463 13.4934 1.00 0.00 WATR
+ATOM 1152 HT HOH 245 0.45101 -10.536 13.5072 1.00 0.00 WATR
+ATOM 1153 OT HOH 246 -1.2310 -8.6197 13.5467 1.00 0.00 WATR
+ATOM 1154 HT HOH 246 -0.4807 -8.0257 13.5667 1.00 0.00 WATR
+ATOM 1155 HT HOH 246 -1.9945 -8.0427 13.5670 1.00 0.00 WATR
+ATOM 1156 OT HOH 247 -1.2305 -11.082 16.0121 1.00 0.00 WATR
+ATOM 1157 HT HOH 247 -0.4832 -10.485 15.9915 1.00 0.00 WATR
+ATOM 1158 HT HOH 247 -1.9968 -10.509 16.0019 1.00 0.00 WATR
+ATOM 1159 OT HOH 248 1.23568 -8.6200 16.0142 1.00 0.00 WATR
+ATOM 1160 HT HOH 248 1.96383 -7.9994 15.9838 1.00 0.00 WATR
+ATOM 1161 HT HOH 248 0.45170 -8.0710 15.9994 1.00 0.00 WATR
+ATOM 1162 OT HOH 249 1.24613 -11.076 18.4832 1.00 0.00 WATR
+ATOM 1163 HT HOH 249 1.89003 -10.385 18.3271 1.00 0.00 WATR
+ATOM 1164 HT HOH 249 0.40137 -10.626 18.4597 1.00 0.00 WATR
+ATOM 1165 OT HOH 250 -1.2295 -8.6195 18.4733 1.00 0.00 WATR
+ATOM 1166 HT HOH 250 -0.4852 -8.0177 18.4762 1.00 0.00 WATR
+ATOM 1167 HT HOH 250 -1.9988 -8.0499 18.4747 1.00 0.00 WATR
+ATOM 1168 OT HOH 251 -1.2302 -6.1572 -18.472 1.00 0.00 WATR
+ATOM 1169 HT HOH 251 -0.4721 -5.5728 -18.478 1.00 0.00 WATR
+ATOM 1170 HT HOH 251 -1.9857 -5.5709 -18.512 1.00 0.00 WATR
+ATOM 1171 OT HOH 252 1.23103 -3.6941 -18.484 1.00 0.00 WATR
+ATOM 1172 HT HOH 252 2.02181 -3.1628 -18.391 1.00 0.00 WATR
+ATOM 1173 HT HOH 252 0.51104 -3.0676 -18.411 1.00 0.00 WATR
+ATOM 1174 OT HOH 253 -1.2311 -6.1556 -13.558 1.00 0.00 WATR
+ATOM 1175 HT HOH 253 -0.4709 -5.5812 -13.466 1.00 0.00 WATR
+ATOM 1176 HT HOH 253 -1.9848 -5.5745 -13.455 1.00 0.00 WATR
+ATOM 1177 OT HOH 254 -1.2321 -6.1520 -8.6391 1.00 0.00 WATR
+ATOM 1178 HT HOH 254 -0.4724 -5.5848 -8.5079 1.00 0.00 WATR
+ATOM 1179 HT HOH 254 -1.9850 -5.5931 -8.4465 1.00 0.00 WATR
+ATOM 1180 OT HOH 255 1.23482 -6.1537 -6.1712 1.00 0.00 WATR
+ATOM 1181 HT HOH 255 1.97913 -5.5587 -6.0807 1.00 0.00 WATR
+ATOM 1182 HT HOH 255 0.46603 -5.5966 -6.0493 1.00 0.00 WATR
+ATOM 1183 OT HOH 256 -1.2328 -6.1526 -3.7070 1.00 0.00 WATR
+ATOM 1184 HT HOH 256 -0.4886 -5.5584 -3.6102 1.00 0.00 WATR
+ATOM 1185 HT HOH 256 -2.0006 -5.5815 -3.6826 1.00 0.00 WATR
+ATOM 1186 OT HOH 257 1.24054 -6.1533 -1.2364 1.00 0.00 WATR
+ATOM 1187 HT HOH 257 1.95940 -5.5225 -1.1954 1.00 0.00 WATR
+ATOM 1188 HT HOH 257 0.44845 -5.6171 -1.1994 1.00 0.00 WATR
+ATOM 1189 OT HOH 258 1.23394 -6.1568 13.5500 1.00 0.00 WATR
+ATOM 1190 HT HOH 258 1.99265 -5.5740 13.5207 1.00 0.00 WATR
+ATOM 1191 HT HOH 258 0.47877 -5.5698 13.5142 1.00 0.00 WATR
+ATOM 1192 OT HOH 259 -1.2309 -6.1569 16.0086 1.00 0.00 WATR
+ATOM 1193 HT HOH 259 -0.4817 -5.5619 16.0397 1.00 0.00 WATR
+ATOM 1194 HT HOH 259 -1.9954 -5.5812 16.0238 1.00 0.00 WATR
+ATOM 1195 OT HOH 260 1.23310 -3.6957 16.0110 1.00 0.00 WATR
+ATOM 1196 HT HOH 260 2.00016 -3.1232 16.0211 1.00 0.00 WATR
+ATOM 1197 HT HOH 260 0.48685 -3.0967 15.9882 1.00 0.00 WATR
+ATOM 1198 OT HOH 261 1.23416 -6.1579 18.4716 1.00 0.00 WATR
+ATOM 1199 HT HOH 261 1.98107 -5.5604 18.5081 1.00 0.00 WATR
+ATOM 1200 HT HOH 261 0.46753 -5.5849 18.4867 1.00 0.00 WATR
+ATOM 1201 OT HOH 262 -1.2318 -3.6935 18.4758 1.00 0.00 WATR
+ATOM 1202 HT HOH 262 -0.4735 -3.1093 18.4739 1.00 0.00 WATR
+ATOM 1203 HT HOH 262 -1.9870 -3.1065 18.4404 1.00 0.00 WATR
+ATOM 1204 OT HOH 263 1.22938 -1.2307 18.4692 1.00 0.00 WATR
+ATOM 1205 HT HOH 263 2.02179 -0.6965 18.5241 1.00 0.00 WATR
+ATOM 1206 HT HOH 263 0.51118 -0.5988 18.5038 1.00 0.00 WATR
+ATOM 1207 OT HOH 264 1.22891 11.0861 -18.500 1.00 0.00 WATR
+ATOM 1208 HT HOH 264 1.90225 11.7318 -18.285 1.00 0.00 WATR
+ATOM 1209 HT HOH 264 0.40224 11.5283 -18.306 1.00 0.00 WATR
+ATOM 1210 OT HOH 265 -1.2275 11.0889 -16.030 1.00 0.00 WATR
+ATOM 1211 HT HOH 265 -0.4934 11.6746 -15.845 1.00 0.00 WATR
+ATOM 1212 HT HOH 265 -2.0060 11.6116 -15.838 1.00 0.00 WATR
+ATOM 1213 OT HOH 266 1.24115 11.0878 -13.559 1.00 0.00 WATR
+ATOM 1214 HT HOH 266 1.91058 11.7526 -13.398 1.00 0.00 WATR
+ATOM 1215 HT HOH 266 0.41098 11.5507 -13.446 1.00 0.00 WATR
+ATOM 1216 OT HOH 267 1.23879 8.62130 -11.096 1.00 0.00 WATR
+ATOM 1217 HT HOH 267 1.94848 9.24949 -10.962 1.00 0.00 WATR
+ATOM 1218 HT HOH 267 0.43918 9.13954 -11.005 1.00 0.00 WATR
+ATOM 1219 OT HOH 268 -1.2274 11.0850 -11.089 1.00 0.00 WATR
+ATOM 1220 HT HOH 268 -0.4781 11.6750 -11.008 1.00 0.00 WATR
+ATOM 1221 HT HOH 268 -1.9914 11.6601 -11.047 1.00 0.00 WATR
+ATOM 1222 OT HOH 269 -1.2342 8.62177 -8.6251 1.00 0.00 WATR
+ATOM 1223 HT HOH 269 -0.4504 9.16818 -8.5678 1.00 0.00 WATR
+ATOM 1224 HT HOH 269 -1.9622 9.24272 -8.5981 1.00 0.00 WATR
+ATOM 1225 OT HOH 270 1.22773 11.0895 -8.6458 1.00 0.00 WATR
+ATOM 1226 HT HOH 270 1.99231 11.6106 -8.4005 1.00 0.00 WATR
+ATOM 1227 HT HOH 270 0.47901 11.6443 -8.4270 1.00 0.00 WATR
+ATOM 1228 OT HOH 271 1.24650 11.0894 1.25930 1.00 0.00 WATR
+ATOM 1229 HT HOH 271 1.91752 11.7149 0.98599 1.00 0.00 WATR
+ATOM 1230 HT HOH 271 0.42093 11.4866 0.98204 1.00 0.00 WATR
+ATOM 1231 OT HOH 272 -1.2394 11.0973 3.72731 1.00 0.00 WATR
+ATOM 1232 HT HOH 272 -0.4459 11.5847 3.50590 1.00 0.00 WATR
+ATOM 1233 HT HOH 272 -1.9525 11.6208 3.36177 1.00 0.00 WATR
+ATOM 1234 OT HOH 273 1.24453 11.0886 6.17582 1.00 0.00 WATR
+ATOM 1235 HT HOH 273 1.93582 11.7349 6.03185 1.00 0.00 WATR
+ATOM 1236 HT HOH 273 0.43103 11.5693 6.02286 1.00 0.00 WATR
+ATOM 1237 OT HOH 274 1.24374 8.61958 8.62534 1.00 0.00 WATR
+ATOM 1238 HT HOH 274 1.91341 9.30233 8.58491 1.00 0.00 WATR
+ATOM 1239 HT HOH 274 0.41384 9.09466 8.58333 1.00 0.00 WATR
+ATOM 1240 OT HOH 275 -1.2314 11.0894 8.61758 1.00 0.00 WATR
+ATOM 1241 HT HOH 275 -0.4598 11.6550 8.58668 1.00 0.00 WATR
+ATOM 1242 HT HOH 275 -1.9685 11.6937 8.70570 1.00 0.00 WATR
+ATOM 1243 OT HOH 276 1.24362 11.0870 11.0911 1.00 0.00 WATR
+ATOM 1244 HT HOH 276 1.93169 11.7495 11.0293 1.00 0.00 WATR
+ATOM 1245 HT HOH 276 0.42702 11.5827 11.0301 1.00 0.00 WATR
+ATOM 1246 OT HOH 277 1.24002 8.61864 13.5529 1.00 0.00 WATR
+ATOM 1247 HT HOH 277 1.93940 9.27070 13.5092 1.00 0.00 WATR
+ATOM 1248 HT HOH 277 0.43226 9.12872 13.4934 1.00 0.00 WATR
+ATOM 1249 OT HOH 278 -1.2310 11.0853 13.5573 1.00 0.00 WATR
+ATOM 1250 HT HOH 278 -0.4788 11.6728 13.4843 1.00 0.00 WATR
+ATOM 1251 HT HOH 278 -1.9927 11.6600 13.4806 1.00 0.00 WATR
+ATOM 1252 OT HOH 279 -1.2372 8.62022 16.0054 1.00 0.00 WATR
+ATOM 1253 HT HOH 279 -0.4591 9.17602 16.0478 1.00 0.00 WATR
+ATOM 1254 HT HOH 279 -1.9719 9.23294 16.0384 1.00 0.00 WATR
+ATOM 1255 OT HOH 280 1.23709 11.0861 16.0122 1.00 0.00 WATR
+ATOM 1256 HT HOH 280 1.94863 11.7250 15.9717 1.00 0.00 WATR
+ATOM 1257 HT HOH 280 0.43904 11.6144 15.9991 1.00 0.00 WATR
+ATOM 1258 OT HOH 281 1.24118 8.62101 18.4580 1.00 0.00 WATR
+ATOM 1259 HT HOH 281 1.93228 9.26595 18.6086 1.00 0.00 WATR
+ATOM 1260 HT HOH 281 0.42721 9.10252 18.6058 1.00 0.00 WATR
+ATOM 1261 OT HOH 282 -1.2322 11.0856 18.4593 1.00 0.00 WATR
+ATOM 1262 HT HOH 282 -0.4811 11.6706 18.5585 1.00 0.00 WATR
+ATOM 1263 HT HOH 282 -1.9948 11.6533 18.5704 1.00 0.00 WATR
+ATOM 1264 SOD ION 283 3.67551 -11.084 -18.466 1.00 0.00 SALT
+ATOM 1265 OT HOH 284 3.69319 -8.6205 -11.091 1.00 0.00 WATR
+ATOM 1266 HT HOH 284 4.46757 -8.0621 -11.023 1.00 0.00 WATR
+ATOM 1267 HT HOH 284 2.95436 -8.0166 -11.016 1.00 0.00 WATR
+ATOM 1268 OT HOH 285 3.70056 -11.082 -8.6440 1.00 0.00 WATR
+ATOM 1269 HT HOH 285 4.42201 -10.474 -8.4808 1.00 0.00 WATR
+ATOM 1270 HT HOH 285 2.91155 -10.573 -8.4563 1.00 0.00 WATR
+ATOM 1271 OT HOH 286 6.16292 -8.6214 -8.6291 1.00 0.00 WATR
+ATOM 1272 HT HOH 286 6.91043 -8.0237 -8.6136 1.00 0.00 WATR
+ATOM 1273 HT HOH 286 5.39953 -8.0537 -8.5231 1.00 0.00 WATR
+ATOM 1274 OT HOH 287 6.17208 -11.081 -6.1658 1.00 0.00 WATR
+ATOM 1275 HT HOH 287 6.84757 -10.406 -6.1020 1.00 0.00 WATR
+ATOM 1276 HT HOH 287 5.34686 -10.604 -6.0788 1.00 0.00 WATR
+ATOM 1277 OT HOH 288 3.69854 -8.6151 -6.1749 1.00 0.00 WATR
+ATOM 1278 HT HOH 288 4.43646 -8.0241 -6.0250 1.00 0.00 WATR
+ATOM 1279 HT HOH 288 2.92371 -8.0795 -6.0044 1.00 0.00 WATR
+ATOM 1280 OT HOH 289 3.71337 -11.079 -3.6908 1.00 0.00 WATR
+ATOM 1281 HT HOH 289 4.36567 -10.379 -3.7179 1.00 0.00 WATR
+ATOM 1282 HT HOH 289 2.87169 -10.623 -3.7035 1.00 0.00 WATR
+ATOM 1283 OT HOH 290 6.16349 -8.6199 -3.6953 1.00 0.00 WATR
+ATOM 1284 HT HOH 290 6.89272 -7.9998 -3.6873 1.00 0.00 WATR
+ATOM 1285 HT HOH 290 5.38046 -8.0696 -3.6755 1.00 0.00 WATR
+ATOM 1286 OT HOH 291 6.17314 -11.081 -1.2133 1.00 0.00 WATR
+ATOM 1287 HT HOH 291 6.84272 -10.411 -1.3473 1.00 0.00 WATR
+ATOM 1288 HT HOH 291 5.34420 -10.626 -1.3594 1.00 0.00 WATR
+ATOM 1289 OT HOH 292 3.69948 -8.6198 -1.2250 1.00 0.00 WATR
+ATOM 1290 HT HOH 292 4.41861 -7.9891 -1.2626 1.00 0.00 WATR
+ATOM 1291 HT HOH 292 2.90768 -8.0823 -1.2446 1.00 0.00 WATR
+ATOM 1292 OT HOH 293 3.70566 -11.078 1.26068 1.00 0.00 WATR
+ATOM 1293 HT HOH 293 4.40693 -10.473 1.01948 1.00 0.00 WATR
+ATOM 1294 HT HOH 293 2.90063 -10.624 1.01172 1.00 0.00 WATR
+ATOM 1295 OT HOH 294 6.16107 -8.6216 1.24232 1.00 0.00 WATR
+ATOM 1296 HT HOH 294 6.89351 -8.0107 1.16121 1.00 0.00 WATR
+ATOM 1297 HT HOH 294 5.38093 -8.0705 1.17973 1.00 0.00 WATR
+ATOM 1298 OT HOH 295 6.17107 -11.085 3.70985 1.00 0.00 WATR
+ATOM 1299 HT HOH 295 6.86979 -10.443 3.58015 1.00 0.00 WATR
+ATOM 1300 HT HOH 295 5.36282 -10.588 3.58177 1.00 0.00 WATR
+ATOM 1301 OT HOH 296 3.69948 -11.078 6.16726 1.00 0.00 WATR
+ATOM 1302 HT HOH 296 4.42646 -10.459 6.09951 1.00 0.00 WATR
+ATOM 1303 HT HOH 296 2.91532 -10.540 6.05782 1.00 0.00 WATR
+ATOM 1304 OT HOH 297 6.16196 -8.6206 6.17294 1.00 0.00 WATR
+ATOM 1305 HT HOH 297 6.89476 -8.0214 6.03133 1.00 0.00 WATR
+ATOM 1306 HT HOH 297 5.38268 -8.0906 6.00564 1.00 0.00 WATR
+ATOM 1307 OT HOH 298 6.16361 -11.083 8.62968 1.00 0.00 WATR
+ATOM 1308 HT HOH 298 6.88176 -10.457 8.54057 1.00 0.00 WATR
+ATOM 1309 HT HOH 298 5.37100 -10.555 8.53765 1.00 0.00 WATR
+ATOM 1310 OT HOH 299 3.70007 -8.6198 8.63981 1.00 0.00 WATR
+ATOM 1311 HT HOH 299 4.43903 -8.0285 8.49623 1.00 0.00 WATR
+ATOM 1312 HT HOH 299 2.92805 -8.0945 8.42931 1.00 0.00 WATR
+ATOM 1313 OT HOH 300 3.70046 -11.083 11.0933 1.00 0.00 WATR
+ATOM 1314 HT HOH 300 4.41794 -10.456 11.0025 1.00 0.00 WATR
+ATOM 1315 HT HOH 300 2.90721 -10.553 11.0115 1.00 0.00 WATR
+ATOM 1316 OT HOH 301 6.16191 -8.6189 11.0996 1.00 0.00 WATR
+ATOM 1317 HT HOH 301 6.88878 -8.0170 10.9398 1.00 0.00 WATR
+ATOM 1318 HT HOH 301 5.37682 -8.0866 10.9713 1.00 0.00 WATR
+ATOM 1319 OT HOH 302 6.16309 -11.083 13.5574 1.00 0.00 WATR
+ATOM 1320 HT HOH 302 6.87666 -10.454 13.4521 1.00 0.00 WATR
+ATOM 1321 HT HOH 302 5.36654 -10.560 13.4677 1.00 0.00 WATR
+ATOM 1322 OT HOH 303 3.69881 -8.6196 13.5561 1.00 0.00 WATR
+ATOM 1323 HT HOH 303 4.41939 -7.9963 13.4640 1.00 0.00 WATR
+ATOM 1324 HT HOH 303 2.90832 -8.0832 13.4958 1.00 0.00 WATR
+ATOM 1325 OT HOH 304 3.70026 -11.081 16.0220 1.00 0.00 WATR
+ATOM 1326 HT HOH 304 4.40966 -10.447 15.9209 1.00 0.00 WATR
+ATOM 1327 HT HOH 304 2.90031 -10.563 15.9336 1.00 0.00 WATR
+ATOM 1328 OT HOH 305 6.15354 -8.6266 16.0163 1.00 0.00 WATR
+ATOM 1329 HT HOH 305 6.85129 -7.9723 15.9811 1.00 0.00 WATR
+ATOM 1330 HT HOH 305 5.34433 -8.1168 15.9772 1.00 0.00 WATR
+ATOM 1331 OT HOH 306 6.15331 -11.077 18.4894 1.00 0.00 WATR
+ATOM 1332 HT HOH 306 6.93171 -10.525 18.4123 1.00 0.00 WATR
+ATOM 1333 HT HOH 306 5.42394 -10.493 18.2801 1.00 0.00 WATR
+ATOM 1334 OT HOH 307 3.70127 -8.6236 18.4799 1.00 0.00 WATR
+ATOM 1335 HT HOH 307 4.40765 -7.9781 18.5026 1.00 0.00 WATR
+ATOM 1336 HT HOH 307 2.89918 -8.1014 18.4680 1.00 0.00 WATR
+ATOM 1337 OT HOH 308 3.69167 -6.1570 -18.486 1.00 0.00 WATR
+ATOM 1338 HT HOH 308 4.47065 -5.6164 -18.355 1.00 0.00 WATR
+ATOM 1339 HT HOH 308 2.95852 -5.5498 -18.385 1.00 0.00 WATR
+ATOM 1340 OT HOH 309 6.15181 -3.6887 -18.497 1.00 0.00 WATR
+ATOM 1341 HT HOH 309 6.93233 -3.1756 -18.288 1.00 0.00 WATR
+ATOM 1342 HT HOH 309 5.42105 -3.0948 -18.326 1.00 0.00 WATR
+ATOM 1343 OT HOH 310 6.15804 -6.1568 -6.1650 1.00 0.00 WATR
+ATOM 1344 HT HOH 310 6.93021 -5.5924 -6.1276 1.00 0.00 WATR
+ATOM 1345 HT HOH 310 5.41709 -5.5547 -6.0972 1.00 0.00 WATR
+ATOM 1346 OT HOH 311 3.69073 -3.6937 -6.1624 1.00 0.00 WATR
+ATOM 1347 HT HOH 311 4.45755 -3.1209 -6.1530 1.00 0.00 WATR
+ATOM 1348 HT HOH 311 2.94524 -3.0980 -6.0876 1.00 0.00 WATR
+ATOM 1349 OT HOH 312 3.69906 -6.1582 -3.7010 1.00 0.00 WATR
+ATOM 1350 HT HOH 312 4.45309 -5.5704 -3.6537 1.00 0.00 WATR
+ATOM 1351 HT HOH 312 2.93928 -5.5793 -3.6387 1.00 0.00 WATR
+ATOM 1352 OT HOH 313 6.15817 -3.6945 -3.7001 1.00 0.00 WATR
+ATOM 1353 HT HOH 313 6.94666 -3.1532 -3.6614 1.00 0.00 WATR
+ATOM 1354 HT HOH 313 5.43532 -3.0709 -3.6305 1.00 0.00 WATR
+ATOM 1355 OT HOH 314 6.16036 -6.1580 -1.2298 1.00 0.00 WATR
+ATOM 1356 HT HOH 314 6.91178 -5.5653 -1.2500 1.00 0.00 WATR
+ATOM 1357 HT HOH 314 5.39805 -5.5791 -1.2326 1.00 0.00 WATR
+ATOM 1358 OT HOH 315 3.69595 -3.6939 -1.2338 1.00 0.00 WATR
+ATOM 1359 HT HOH 315 4.46078 -3.1189 -1.2096 1.00 0.00 WATR
+ATOM 1360 HT HOH 315 2.94702 -3.0985 -1.2059 1.00 0.00 WATR
+ATOM 1361 OT HOH 316 3.70608 -6.1603 1.23164 1.00 0.00 WATR
+ATOM 1362 HT HOH 316 4.42489 -5.5286 1.21059 1.00 0.00 WATR
+ATOM 1363 HT HOH 316 2.91403 -5.6229 1.22840 1.00 0.00 WATR
+ATOM 1364 OT HOH 317 6.15933 -3.6951 1.23274 1.00 0.00 WATR
+ATOM 1365 HT HOH 317 6.92964 -3.1274 1.20996 1.00 0.00 WATR
+ATOM 1366 HT HOH 317 5.41679 -3.0914 1.25327 1.00 0.00 WATR
+ATOM 1367 OT HOH 318 6.16940 -6.1599 3.70193 1.00 0.00 WATR
+ATOM 1368 HT HOH 318 6.87030 -5.5121 3.62886 1.00 0.00 WATR
+ATOM 1369 HT HOH 318 5.36349 -5.6435 3.69354 1.00 0.00 WATR
+ATOM 1370 OT HOH 319 6.16859 -3.6927 6.17408 1.00 0.00 WATR
+ATOM 1371 HT HOH 319 6.87338 -3.0647 6.01549 1.00 0.00 WATR
+ATOM 1372 HT HOH 319 5.36502 -3.1842 6.06456 1.00 0.00 WATR
+ATOM 1373 OT HOH 320 6.16068 -6.1554 8.64186 1.00 0.00 WATR
+ATOM 1374 HT HOH 320 6.90666 -5.5890 8.44480 1.00 0.00 WATR
+ATOM 1375 HT HOH 320 5.39315 -5.6222 8.43506 1.00 0.00 WATR
+ATOM 1376 OT HOH 321 3.69652 -6.1551 11.0941 1.00 0.00 WATR
+ATOM 1377 HT HOH 321 4.44969 -5.5714 11.0030 1.00 0.00 WATR
+ATOM 1378 HT HOH 321 2.93588 -5.5788 11.0190 1.00 0.00 WATR
+ATOM 1379 OT HOH 322 6.15324 -3.6988 11.1015 1.00 0.00 WATR
+ATOM 1380 HT HOH 322 6.84634 -3.0594 10.9373 1.00 0.00 WATR
+ATOM 1381 HT HOH 322 5.34090 -3.2191 10.9396 1.00 0.00 WATR
+ATOM 1382 OT HOH 323 6.16982 -6.1512 13.5669 1.00 0.00 WATR
+ATOM 1383 HT HOH 323 6.83321 -5.4960 13.3507 1.00 0.00 WATR
+ATOM 1384 HT HOH 323 5.33639 -5.6916 13.4654 1.00 0.00 WATR
+ATOM 1385 OT HOH 324 3.69866 -3.6948 13.5596 1.00 0.00 WATR
+ATOM 1386 HT HOH 324 4.43361 -3.0863 13.4834 1.00 0.00 WATR
+ATOM 1387 HT HOH 324 2.92618 -3.1634 13.3669 1.00 0.00 WATR
+ATOM 1388 OT HOH 325 3.70058 -6.1565 16.0112 1.00 0.00 WATR
+ATOM 1389 HT HOH 325 4.41164 -5.5157 16.0198 1.00 0.00 WATR
+ATOM 1390 HT HOH 325 2.90199 -5.6287 16.0097 1.00 0.00 WATR
+ATOM 1391 OT HOH 326 6.16679 -3.6951 16.0040 1.00 0.00 WATR
+ATOM 1392 HT HOH 326 6.87257 -3.0543 16.0911 1.00 0.00 WATR
+ATOM 1393 HT HOH 326 5.36408 -3.1759 16.0521 1.00 0.00 WATR
+ATOM 1394 OT HOH 327 6.17191 -6.1492 18.4487 1.00 0.00 WATR
+ATOM 1395 HT HOH 327 6.83069 -5.5260 18.7551 1.00 0.00 WATR
+ATOM 1396 HT HOH 327 5.33561 -5.7105 18.6050 1.00 0.00 WATR
+ATOM 1397 OT HOH 328 3.69627 -3.6941 18.4650 1.00 0.00 WATR
+ATOM 1398 HT HOH 328 4.45139 -3.1142 18.5640 1.00 0.00 WATR
+ATOM 1399 HT HOH 328 2.93783 -3.1140 18.5315 1.00 0.00 WATR
+ATOM 1400 OT HOH 329 3.69383 -1.2310 -18.493 1.00 0.00 WATR
+ATOM 1401 HT HOH 329 4.48011 -0.7112 -18.326 1.00 0.00 WATR
+ATOM 1402 HT HOH 329 2.96827 -0.6336 -18.312 1.00 0.00 WATR
+ATOM 1403 OT HOH 330 6.15748 1.23374 -18.496 1.00 0.00 WATR
+ATOM 1404 HT HOH 330 6.91489 1.78904 -18.311 1.00 0.00 WATR
+ATOM 1405 HT HOH 330 5.40120 1.78153 -18.286 1.00 0.00 WATR
+ATOM 1406 OT HOH 331 6.15477 -1.2319 -1.2346 1.00 0.00 WATR
+ATOM 1407 HT HOH 331 6.94602 -0.6934 -1.2240 1.00 0.00 WATR
+ATOM 1408 HT HOH 331 5.43532 -0.6024 -1.1873 1.00 0.00 WATR
+ATOM 1409 OT HOH 332 6.16541 1.23152 1.23885 1.00 0.00 WATR
+ATOM 1410 HT HOH 332 6.89614 1.84156 1.13819 1.00 0.00 WATR
+ATOM 1411 HT HOH 332 5.38374 1.77858 1.16180 1.00 0.00 WATR
+ATOM 1412 OT HOH 333 6.16312 -1.2316 3.70055 1.00 0.00 WATR
+ATOM 1413 HT HOH 333 6.88619 -0.6090 3.62512 1.00 0.00 WATR
+ATOM 1414 HT HOH 333 5.37507 -0.6892 3.66867 1.00 0.00 WATR
+ATOM 1415 OT HOH 334 3.70379 1.22995 3.69563 1.00 0.00 WATR
+ATOM 1416 HT HOH 334 4.41321 1.87220 3.67371 1.00 0.00 WATR
+ATOM 1417 HT HOH 334 2.90386 1.75554 3.68566 1.00 0.00 WATR
+ATOM 1418 OT HOH 335 6.17011 1.22788 6.16462 1.00 0.00 WATR
+ATOM 1419 HT HOH 335 6.84695 1.90255 6.11039 1.00 0.00 WATR
+ATOM 1420 HT HOH 335 5.34521 1.71236 6.13195 1.00 0.00 WATR
+ATOM 1421 OT HOH 336 6.17723 -1.2238 8.64595 1.00 0.00 WATR
+ATOM 1422 HT HOH 336 6.77187 -0.5238 8.37638 1.00 0.00 WATR
+ATOM 1423 HT HOH 336 5.30206 -0.8593 8.51404 1.00 0.00 WATR
+ATOM 1424 OT HOH 337 3.71435 1.23357 8.62538 1.00 0.00 WATR
+ATOM 1425 HT HOH 337 4.36112 1.93792 8.58286 1.00 0.00 WATR
+ATOM 1426 HT HOH 337 2.86960 1.68359 8.63330 1.00 0.00 WATR
+ATOM 1427 OT HOH 338 6.17741 1.22963 11.0900 1.00 0.00 WATR
+ATOM 1428 HT HOH 338 6.82739 1.93211 11.0737 1.00 0.00 WATR
+ATOM 1429 HT HOH 338 5.33437 1.68192 11.0593 1.00 0.00 WATR
+ATOM 1430 OT HOH 339 6.17277 -1.2291 13.5419 1.00 0.00 WATR
+ATOM 1431 HT HOH 339 6.83451 -0.5498 13.6716 1.00 0.00 WATR
+ATOM 1432 HT HOH 339 5.34460 -0.7515 13.4946 1.00 0.00 WATR
+ATOM 1433 OT HOH 340 3.69721 -1.2313 16.0077 1.00 0.00 WATR
+ATOM 1434 HT HOH 340 4.45799 -0.6530 16.0627 1.00 0.00 WATR
+ATOM 1435 HT HOH 340 2.94485 -0.6396 16.0174 1.00 0.00 WATR
+ATOM 1436 OT HOH 341 6.15834 1.23088 16.0070 1.00 0.00 WATR
+ATOM 1437 HT HOH 341 6.89930 1.83592 16.0408 1.00 0.00 WATR
+ATOM 1438 HT HOH 341 5.38623 1.79663 16.0099 1.00 0.00 WATR
+ATOM 1439 OT HOH 342 6.15859 -1.2308 18.4606 1.00 0.00 WATR
+ATOM 1440 HT HOH 342 6.91230 -0.6533 18.5815 1.00 0.00 WATR
+ATOM 1441 HT HOH 342 5.39849 -0.6584 18.5648 1.00 0.00 WATR
+ATOM 1442 OT HOH 343 3.69238 1.23172 18.4691 1.00 0.00 WATR
+ATOM 1443 HT HOH 343 4.47398 1.78313 18.5047 1.00 0.00 WATR
+ATOM 1444 HT HOH 343 2.96157 1.84944 18.4932 1.00 0.00 WATR
+ATOM 1445 OT HOH 344 6.17233 6.16054 -18.495 1.00 0.00 WATR
+ATOM 1446 HT HOH 344 6.82454 6.82913 -18.286 1.00 0.00 WATR
+ATOM 1447 HT HOH 344 5.33312 6.56921 -18.283 1.00 0.00 WATR
+ATOM 1448 OT HOH 345 6.16854 3.70083 -16.039 1.00 0.00 WATR
+ATOM 1449 HT HOH 345 6.85087 4.32252 -15.786 1.00 0.00 WATR
+ATOM 1450 HT HOH 345 5.34861 4.13625 -15.806 1.00 0.00 WATR
+ATOM 1451 OT HOH 346 6.17078 6.16295 -13.575 1.00 0.00 WATR
+ATOM 1452 HT HOH 346 6.83242 6.80250 -13.311 1.00 0.00 WATR
+ATOM 1453 HT HOH 346 5.33536 6.58892 -13.383 1.00 0.00 WATR
+ATOM 1454 OT HOH 347 3.69637 6.15847 -11.093 1.00 0.00 WATR
+ATOM 1455 HT HOH 347 4.42964 6.76617 -10.997 1.00 0.00 WATR
+ATOM 1456 HT HOH 347 2.91714 6.71094 -11.031 1.00 0.00 WATR
+ATOM 1457 OT HOH 348 6.17415 6.17850 1.27511 1.00 0.00 WATR
+ATOM 1458 HT HOH 348 6.80163 6.75126 0.83409 1.00 0.00 WATR
+ATOM 1459 HT HOH 348 5.31891 6.47401 0.96293 1.00 0.00 WATR
+ATOM 1460 OT HOH 349 6.15243 3.70579 3.72700 1.00 0.00 WATR
+ATOM 1461 HT HOH 349 6.85013 4.22466 3.32674 1.00 0.00 WATR
+ATOM 1462 HT HOH 349 5.34332 4.09645 3.39693 1.00 0.00 WATR
+ATOM 1463 OT HOH 350 3.71795 6.17000 3.72408 1.00 0.00 WATR
+ATOM 1464 HT HOH 350 4.28545 6.86571 3.39216 1.00 0.00 WATR
+ATOM 1465 HT HOH 350 2.82962 6.48285 3.55308 1.00 0.00 WATR
+ATOM 1466 OT HOH 351 3.69654 3.69256 6.15832 1.00 0.00 WATR
+ATOM 1467 HT HOH 351 4.37222 4.37055 6.15473 1.00 0.00 WATR
+ATOM 1468 HT HOH 351 2.87081 4.17668 6.15867 1.00 0.00 WATR
+ATOM 1469 SOD ION 352 6.12728 6.17810 6.16679 1.00 0.00 SALT
+ATOM 1470 OT HOH 353 6.16309 3.70485 8.59846 1.00 0.00 WATR
+ATOM 1471 HT HOH 353 6.87060 4.28326 8.88325 1.00 0.00 WATR
+ATOM 1472 HT HOH 353 5.36226 4.15448 8.86815 1.00 0.00 WATR
+ATOM 1473 OT HOH 354 3.71502 6.16680 8.60063 1.00 0.00 WATR
+ATOM 1474 HT HOH 354 4.30761 6.88236 8.83095 1.00 0.00 WATR
+ATOM 1475 HT HOH 354 2.83915 6.54263 8.68915 1.00 0.00 WATR
+ATOM 1476 OT HOH 355 6.17031 6.16019 11.0745 1.00 0.00 WATR
+ATOM 1477 HT HOH 355 6.83254 6.84753 11.1470 1.00 0.00 WATR
+ATOM 1478 HT HOH 355 5.33546 6.62251 11.1488 1.00 0.00 WATR
+ATOM 1479 OT HOH 356 6.16701 3.69438 13.5484 1.00 0.00 WATR
+ATOM 1480 HT HOH 356 6.85520 4.35967 13.5421 1.00 0.00 WATR
+ATOM 1481 HT HOH 356 5.35056 4.19345 13.5247 1.00 0.00 WATR
+ATOM 1482 OT HOH 357 3.70327 6.15882 13.5538 1.00 0.00 WATR
+ATOM 1483 HT HOH 357 4.39705 6.81762 13.5246 1.00 0.00 WATR
+ATOM 1484 HT HOH 357 2.89140 6.66257 13.4958 1.00 0.00 WATR
+ATOM 1485 OT HOH 358 3.70046 3.69276 16.0129 1.00 0.00 WATR
+ATOM 1486 HT HOH 358 4.42740 4.31548 16.0105 1.00 0.00 WATR
+ATOM 1487 HT HOH 358 2.91539 4.24037 16.0198 1.00 0.00 WATR
+ATOM 1488 OT HOH 359 6.16437 6.15694 16.0090 1.00 0.00 WATR
+ATOM 1489 HT HOH 359 6.84390 6.83107 16.0131 1.00 0.00 WATR
+ATOM 1490 HT HOH 359 5.34152 6.64550 16.0294 1.00 0.00 WATR
+ATOM 1491 OT HOH 360 6.15888 3.69421 18.4640 1.00 0.00 WATR
+ATOM 1492 HT HOH 360 6.87934 4.31799 18.5539 1.00 0.00 WATR
+ATOM 1493 HT HOH 360 5.36842 4.22414 18.5666 1.00 0.00 WATR
+ATOM 1494 OT HOH 361 3.70386 6.15625 18.4605 1.00 0.00 WATR
+ATOM 1495 HT HOH 361 4.37996 6.82753 18.5528 1.00 0.00 WATR
+ATOM 1496 HT HOH 361 2.87893 6.63074 18.5635 1.00 0.00 WATR
+ATOM 1497 OT HOH 362 6.18181 11.0789 -18.486 1.00 0.00 WATR
+ATOM 1498 HT HOH 362 6.86631 11.7428 -18.403 1.00 0.00 WATR
+ATOM 1499 HT HOH 362 5.36285 11.5657 -18.393 1.00 0.00 WATR
+ATOM 1500 OT HOH 363 6.17371 8.62288 -16.034 1.00 0.00 WATR
+ATOM 1501 HT HOH 363 6.81205 9.29905 -15.807 1.00 0.00 WATR
+ATOM 1502 HT HOH 363 5.32403 9.02367 -15.851 1.00 0.00 WATR
+ATOM 1503 OT HOH 364 3.70948 11.1036 -16.043 1.00 0.00 WATR
+ATOM 1504 HT HOH 364 4.34860 11.6985 -15.650 1.00 0.00 WATR
+ATOM 1505 HT HOH 364 2.86337 11.4136 -15.720 1.00 0.00 WATR
+ATOM 1506 OT HOH 365 3.70657 8.62074 -13.556 1.00 0.00 WATR
+ATOM 1507 HT HOH 365 4.37814 9.28945 -13.422 1.00 0.00 WATR
+ATOM 1508 HT HOH 365 2.87834 9.09673 -13.495 1.00 0.00 WATR
+ATOM 1509 OT HOH 366 6.16420 11.0898 -13.570 1.00 0.00 WATR
+ATOM 1510 HT HOH 366 6.86286 11.7148 -13.376 1.00 0.00 WATR
+ATOM 1511 HT HOH 366 5.35681 11.5614 -13.365 1.00 0.00 WATR
+ATOM 1512 OT HOH 367 6.15708 8.62616 -11.110 1.00 0.00 WATR
+ATOM 1513 HT HOH 367 6.89351 9.17976 -10.850 1.00 0.00 WATR
+ATOM 1514 HT HOH 367 5.38058 9.13902 -10.886 1.00 0.00 WATR
+ATOM 1515 OT HOH 368 3.69800 11.0901 -11.111 1.00 0.00 WATR
+ATOM 1516 HT HOH 368 4.40272 11.6833 -10.851 1.00 0.00 WATR
+ATOM 1517 HT HOH 368 2.89440 11.5576 -10.883 1.00 0.00 WATR
+ATOM 1518 OT HOH 369 6.16068 11.0937 -8.6478 1.00 0.00 WATR
+ATOM 1519 HT HOH 369 6.88503 11.6736 -8.4127 1.00 0.00 WATR
+ATOM 1520 HT HOH 369 5.37448 11.5756 -8.3910 1.00 0.00 WATR
+ATOM 1521 OT HOH 370 6.17699 11.0860 -3.6765 1.00 0.00 WATR
+ATOM 1522 HT HOH 370 6.78493 11.8107 -3.8231 1.00 0.00 WATR
+ATOM 1523 HT HOH 370 5.30947 11.4729 -3.7946 1.00 0.00 WATR
+ATOM 1524 OT HOH 371 6.18149 8.62953 -1.2042 1.00 0.00 WATR
+ATOM 1525 HT HOH 371 6.74549 9.38369 -1.3756 1.00 0.00 WATR
+ATOM 1526 HT HOH 371 5.32184 8.89327 -1.5323 1.00 0.00 WATR
+ATOM 1527 OT HOH 372 3.70832 8.62694 1.26108 1.00 0.00 WATR
+ATOM 1528 HT HOH 372 4.35042 9.28575 0.99671 1.00 0.00 WATR
+ATOM 1529 HT HOH 372 2.86105 9.02010 1.05180 1.00 0.00 WATR
+ATOM 1530 OT HOH 373 6.17506 11.0969 1.26588 1.00 0.00 WATR
+ATOM 1531 HT HOH 373 6.80633 11.7267 0.91796 1.00 0.00 WATR
+ATOM 1532 HT HOH 373 5.32117 11.4501 1.01633 1.00 0.00 WATR
+ATOM 1533 OT HOH 374 6.16263 8.61377 3.72199 1.00 0.00 WATR
+ATOM 1534 HT HOH 374 6.79022 9.30174 3.50050 1.00 0.00 WATR
+ATOM 1535 HT HOH 374 5.30721 8.99928 3.53262 1.00 0.00 WATR
+ATOM 1536 OT HOH 375 3.71448 11.0881 3.71320 1.00 0.00 WATR
+ATOM 1537 HT HOH 375 4.33471 11.7987 3.55028 1.00 0.00 WATR
+ATOM 1538 HT HOH 375 2.85511 11.4784 3.55379 1.00 0.00 WATR
+ATOM 1539 OT HOH 376 3.71699 8.62214 6.16545 1.00 0.00 WATR
+ATOM 1540 HT HOH 376 4.30619 9.37398 6.10365 1.00 0.00 WATR
+ATOM 1541 HT HOH 376 2.84071 8.99556 6.07114 1.00 0.00 WATR
+ATOM 1542 OT HOH 377 6.17445 11.0869 6.15371 1.00 0.00 WATR
+ATOM 1543 HT HOH 377 6.80604 11.8003 6.24506 1.00 0.00 WATR
+ATOM 1544 HT HOH 377 5.32302 11.5230 6.11989 1.00 0.00 WATR
+ATOM 1545 OT HOH 378 6.16657 8.61758 8.60832 1.00 0.00 WATR
+ATOM 1546 HT HOH 378 6.85052 9.28294 8.68426 1.00 0.00 WATR
+ATOM 1547 HT HOH 378 5.34681 9.10882 8.66247 1.00 0.00 WATR
+ATOM 1548 OT HOH 379 3.70519 11.0849 8.62688 1.00 0.00 WATR
+ATOM 1549 HT HOH 379 4.38799 11.7537 8.57513 1.00 0.00 WATR
+ATOM 1550 HT HOH 379 2.88494 11.5735 8.55882 1.00 0.00 WATR
+ATOM 1551 OT HOH 380 3.71019 8.62310 11.0842 1.00 0.00 WATR
+ATOM 1552 HT HOH 380 4.35594 9.32967 11.0831 1.00 0.00 WATR
+ATOM 1553 HT HOH 380 2.86443 9.07091 11.0649 1.00 0.00 WATR
+ATOM 1554 OT HOH 381 6.16546 11.0848 11.0889 1.00 0.00 WATR
+ATOM 1555 HT HOH 381 6.86333 11.7375 11.0322 1.00 0.00 WATR
+ATOM 1556 HT HOH 381 5.35630 11.5938 11.0399 1.00 0.00 WATR
+ATOM 1557 OT HOH 382 6.16689 8.62157 13.5497 1.00 0.00 WATR
+ATOM 1558 HT HOH 382 6.84405 9.29738 13.5180 1.00 0.00 WATR
+ATOM 1559 HT HOH 382 5.34218 9.10707 13.5297 1.00 0.00 WATR
+ATOM 1560 OT HOH 383 3.70263 11.0852 13.5529 1.00 0.00 WATR
+ATOM 1561 HT HOH 383 4.39880 11.7398 13.4971 1.00 0.00 WATR
+ATOM 1562 HT HOH 383 2.89216 11.5917 13.4994 1.00 0.00 WATR
+ATOM 1563 OT HOH 384 3.70893 8.62111 16.0086 1.00 0.00 WATR
+ATOM 1564 HT HOH 384 4.36557 9.31755 16.0136 1.00 0.00 WATR
+ATOM 1565 HT HOH 384 2.87016 9.08200 16.0257 1.00 0.00 WATR
+ATOM 1566 OT HOH 385 6.16630 11.0850 16.0149 1.00 0.00 WATR
+ATOM 1567 HT HOH 385 6.85934 11.7439 15.9730 1.00 0.00 WATR
+ATOM 1568 HT HOH 385 5.35361 11.5876 15.9580 1.00 0.00 WATR
+ATOM 1569 OT HOH 386 6.16888 8.62133 18.4638 1.00 0.00 WATR
+ATOM 1570 HT HOH 386 6.82892 9.30901 18.5516 1.00 0.00 WATR
+ATOM 1571 HT HOH 386 5.33260 9.07892 18.5504 1.00 0.00 WATR
+ATOM 1572 OT HOH 387 3.70383 11.0881 18.4830 1.00 0.00 WATR
+ATOM 1573 HT HOH 387 4.38843 11.7330 18.3055 1.00 0.00 WATR
+ATOM 1574 HT HOH 387 2.88465 11.5615 18.3380 1.00 0.00 WATR
+ATOM 1575 OT HOH 388 8.62270 -11.082 -18.482 1.00 0.00 WATR
+ATOM 1576 HT HOH 388 9.39875 -10.526 -18.415 1.00 0.00 WATR
+ATOM 1577 HT HOH 388 7.88571 -10.476 -18.408 1.00 0.00 WATR
+ATOM 1578 OT HOH 389 11.0854 -8.6188 -18.481 1.00 0.00 WATR
+ATOM 1579 HT HOH 389 11.8530 -8.0482 -18.444 1.00 0.00 WATR
+ATOM 1580 HT HOH 389 10.3406 -8.0261 -18.381 1.00 0.00 WATR
+ATOM 1581 OT HOH 390 11.0884 -11.080 -16.028 1.00 0.00 WATR
+ATOM 1582 HT HOH 390 11.8214 -10.480 -15.895 1.00 0.00 WATR
+ATOM 1583 HT HOH 390 10.3103 -10.555 -15.842 1.00 0.00 WATR
+ATOM 1584 OT HOH 391 11.0941 -8.6096 -13.570 1.00 0.00 WATR
+ATOM 1585 HT HOH 391 11.7908 -7.9891 -13.356 1.00 0.00 WATR
+ATOM 1586 HT HOH 391 10.2847 -8.1428 -13.362 1.00 0.00 WATR
+ATOM 1587 OT HOH 392 11.0898 -11.079 -11.103 1.00 0.00 WATR
+ATOM 1588 HT HOH 392 11.8129 -10.479 -10.920 1.00 0.00 WATR
+ATOM 1589 HT HOH 392 10.3014 -10.557 -10.955 1.00 0.00 WATR
+ATOM 1590 OT HOH 393 8.62531 -11.079 -8.6379 1.00 0.00 WATR
+ATOM 1591 HT HOH 393 9.35198 -10.474 -8.4868 1.00 0.00 WATR
+ATOM 1592 HT HOH 393 7.83999 -10.550 -8.4974 1.00 0.00 WATR
+ATOM 1593 OT HOH 394 11.0889 -8.6182 -8.6335 1.00 0.00 WATR
+ATOM 1594 HT HOH 394 11.8290 -8.0241 -8.5095 1.00 0.00 WATR
+ATOM 1595 HT HOH 394 10.3170 -8.0551 -8.5769 1.00 0.00 WATR
+ATOM 1596 OT HOH 395 11.0877 -11.082 -6.1650 1.00 0.00 WATR
+ATOM 1597 HT HOH 395 11.8220 -10.474 -6.0813 1.00 0.00 WATR
+ATOM 1598 HT HOH 395 10.3093 -10.528 -6.1068 1.00 0.00 WATR
+ATOM 1599 OT HOH 396 8.62459 -8.6185 -6.1670 1.00 0.00 WATR
+ATOM 1600 HT HOH 396 9.36848 -8.0226 -6.0787 1.00 0.00 WATR
+ATOM 1601 HT HOH 396 7.85497 -8.0564 -6.0780 1.00 0.00 WATR
+ATOM 1602 OT HOH 397 8.62652 -11.085 -3.6892 1.00 0.00 WATR
+ATOM 1603 HT HOH 397 9.34823 -10.457 -3.7171 1.00 0.00 WATR
+ATOM 1604 HT HOH 397 7.83696 -10.545 -3.7288 1.00 0.00 WATR
+ATOM 1605 OT HOH 398 11.0828 -8.6212 -3.6966 1.00 0.00 WATR
+ATOM 1606 HT HOH 398 11.8462 -8.0444 -3.6694 1.00 0.00 WATR
+ATOM 1607 HT HOH 398 10.3325 -8.0270 -3.6860 1.00 0.00 WATR
+ATOM 1608 OT HOH 399 11.0798 -11.084 -1.2237 1.00 0.00 WATR
+ATOM 1609 HT HOH 399 11.8633 -10.536 -1.2691 1.00 0.00 WATR
+ATOM 1610 HT HOH 399 10.3513 -10.468 -1.3032 1.00 0.00 WATR
+ATOM 1611 OT HOH 400 8.62307 -8.6211 -1.2243 1.00 0.00 WATR
+ATOM 1612 HT HOH 400 9.37264 -8.0284 -1.2798 1.00 0.00 WATR
+ATOM 1613 HT HOH 400 7.85886 -8.0474 -1.2798 1.00 0.00 WATR
+ATOM 1614 OT HOH 401 8.62169 -11.087 1.25552 1.00 0.00 WATR
+ATOM 1615 HT HOH 401 9.37521 -10.519 1.09484 1.00 0.00 WATR
+ATOM 1616 HT HOH 401 7.86142 -10.532 1.08026 1.00 0.00 WATR
+ATOM 1617 OT HOH 402 11.0808 -8.6205 1.24271 1.00 0.00 WATR
+ATOM 1618 HT HOH 402 11.8598 -8.0725 1.14737 1.00 0.00 WATR
+ATOM 1619 HT HOH 402 10.3470 -8.0137 1.14521 1.00 0.00 WATR
+ATOM 1620 OT HOH 403 11.0722 -11.083 3.71013 1.00 0.00 WATR
+ATOM 1621 HT HOH 403 11.8914 -10.606 3.57660 1.00 0.00 WATR
+ATOM 1622 HT HOH 403 10.3882 -10.426 3.57830 1.00 0.00 WATR
+ATOM 1623 OT HOH 404 8.62107 -8.6220 3.70792 1.00 0.00 WATR
+ATOM 1624 HT HOH 404 9.37264 -8.0410 3.59044 1.00 0.00 WATR
+ATOM 1625 HT HOH 404 7.85881 -8.0539 3.59651 1.00 0.00 WATR
+ATOM 1626 OT HOH 405 8.62142 -11.089 6.16056 1.00 0.00 WATR
+ATOM 1627 HT HOH 405 9.37570 -10.504 6.08757 1.00 0.00 WATR
+ATOM 1628 HT HOH 405 7.86184 -10.509 6.09904 1.00 0.00 WATR
+ATOM 1629 OT HOH 406 11.0812 -8.6202 6.17325 1.00 0.00 WATR
+ATOM 1630 HT HOH 406 11.8561 -8.0762 6.03256 1.00 0.00 WATR
+ATOM 1631 HT HOH 406 10.3430 -8.0262 6.03740 1.00 0.00 WATR
+ATOM 1632 OT HOH 407 11.0827 -11.083 8.63728 1.00 0.00 WATR
+ATOM 1633 HT HOH 407 11.8518 -10.535 8.47917 1.00 0.00 WATR
+ATOM 1634 HT HOH 407 10.3388 -10.494 8.51042 1.00 0.00 WATR
+ATOM 1635 OT HOH 408 8.62238 -8.6201 8.63650 1.00 0.00 WATR
+ATOM 1636 HT HOH 408 9.37136 -8.0425 8.48965 1.00 0.00 WATR
+ATOM 1637 HT HOH 408 7.85760 -8.0628 8.49229 1.00 0.00 WATR
+ATOM 1638 OT HOH 409 8.62573 -11.083 11.0969 1.00 0.00 WATR
+ATOM 1639 HT HOH 409 9.35309 -10.475 10.9662 1.00 0.00 WATR
+ATOM 1640 HT HOH 409 7.84100 -10.547 10.9830 1.00 0.00 WATR
+ATOM 1641 OT HOH 410 11.0838 -8.6199 11.1015 1.00 0.00 WATR
+ATOM 1642 HT HOH 410 11.8525 -8.0681 10.9569 1.00 0.00 WATR
+ATOM 1643 HT HOH 410 10.3390 -8.0424 10.9344 1.00 0.00 WATR
+ATOM 1644 OT HOH 411 11.0919 -11.086 13.5574 1.00 0.00 WATR
+ATOM 1645 HT HOH 411 11.8182 -10.469 13.4671 1.00 0.00 WATR
+ATOM 1646 HT HOH 411 10.3064 -10.549 13.4555 1.00 0.00 WATR
+ATOM 1647 OT HOH 412 8.62354 -8.6107 13.5757 1.00 0.00 WATR
+ATOM 1648 HT HOH 412 9.36715 -8.0892 13.2737 1.00 0.00 WATR
+ATOM 1649 HT HOH 412 7.85374 -8.1271 13.2762 1.00 0.00 WATR
+ATOM 1650 OT HOH 413 8.62624 -11.087 16.0146 1.00 0.00 WATR
+ATOM 1651 HT HOH 413 9.35294 -10.465 15.9877 1.00 0.00 WATR
+ATOM 1652 HT HOH 413 7.84115 -10.542 15.9662 1.00 0.00 WATR
+ATOM 1653 OT HOH 414 11.0920 -8.6280 16.0127 1.00 0.00 WATR
+ATOM 1654 HT HOH 414 11.8840 -8.0906 15.9967 1.00 0.00 WATR
+ATOM 1655 HT HOH 414 10.3730 -7.9964 15.9958 1.00 0.00 WATR
+ATOM 1656 OT HOH 415 11.0864 -11.085 18.4675 1.00 0.00 WATR
+ATOM 1657 HT HOH 415 11.8407 -10.498 18.5125 1.00 0.00 WATR
+ATOM 1658 HT HOH 415 10.3269 -10.506 18.5231 1.00 0.00 WATR
+ATOM 1659 OT HOH 416 8.62011 -8.6125 18.4546 1.00 0.00 WATR
+ATOM 1660 HT HOH 416 9.38072 -8.0776 18.6815 1.00 0.00 WATR
+ATOM 1661 HT HOH 416 7.86684 -8.0697 18.6873 1.00 0.00 WATR
+ATOM 1662 OT HOH 417 11.0892 -3.6930 -18.495 1.00 0.00 WATR
+ATOM 1663 HT HOH 417 11.8210 -3.0960 -18.339 1.00 0.00 WATR
+ATOM 1664 HT HOH 417 10.3099 -3.1758 -18.291 1.00 0.00 WATR
+ATOM 1665 OT HOH 418 11.0915 -3.6857 -8.6195 1.00 0.00 WATR
+ATOM 1666 HT HOH 418 11.8341 -3.0852 -8.5547 1.00 0.00 WATR
+ATOM 1667 HT HOH 418 10.3215 -3.1173 -8.6082 1.00 0.00 WATR
+ATOM 1668 OT HOH 419 11.0821 -6.1590 -6.1619 1.00 0.00 WATR
+ATOM 1669 HT HOH 419 11.8449 -5.5835 -6.1057 1.00 0.00 WATR
+ATOM 1670 HT HOH 419 10.3323 -5.5640 -6.1656 1.00 0.00 WATR
+ATOM 1671 OT HOH 420 8.61807 -3.6935 -6.1501 1.00 0.00 WATR
+ATOM 1672 HT HOH 420 9.41989 -3.1814 -6.2550 1.00 0.00 WATR
+ATOM 1673 HT HOH 420 7.91187 -3.0516 -6.2243 1.00 0.00 WATR
+ATOM 1674 OT HOH 421 8.62159 -6.1577 -3.6950 1.00 0.00 WATR
+ATOM 1675 HT HOH 421 9.39316 -5.5912 -3.7002 1.00 0.00 WATR
+ATOM 1676 HT HOH 421 7.87980 -5.5527 -3.6902 1.00 0.00 WATR
+ATOM 1677 OT HOH 422 11.0745 -3.6935 -3.6928 1.00 0.00 WATR
+ATOM 1678 HT HOH 422 11.8748 -3.1694 -3.7245 1.00 0.00 WATR
+ATOM 1679 HT HOH 422 10.3656 -3.0507 -3.7161 1.00 0.00 WATR
+ATOM 1680 OT HOH 423 11.0835 -6.1576 -1.2242 1.00 0.00 WATR
+ATOM 1681 HT HOH 423 11.8614 -5.6070 -1.3125 1.00 0.00 WATR
+ATOM 1682 HT HOH 423 10.3489 -5.5473 -1.2887 1.00 0.00 WATR
+ATOM 1683 OT HOH 424 8.61932 -3.6943 -1.2267 1.00 0.00 WATR
+ATOM 1684 HT HOH 424 9.40016 -3.1436 -1.2841 1.00 0.00 WATR
+ATOM 1685 HT HOH 424 7.88795 -3.0775 -1.2570 1.00 0.00 WATR
+ATOM 1686 OT HOH 425 8.62196 -6.1580 1.23999 1.00 0.00 WATR
+ATOM 1687 HT HOH 425 9.37900 -5.5780 1.15786 1.00 0.00 WATR
+ATOM 1688 HT HOH 425 7.86526 -5.5751 1.17843 1.00 0.00 WATR
+ATOM 1689 OT HOH 426 11.0825 -3.6937 1.24377 1.00 0.00 WATR
+ATOM 1690 HT HOH 426 11.8623 -3.1514 1.12538 1.00 0.00 WATR
+ATOM 1691 HT HOH 426 10.3499 -3.0863 1.14119 1.00 0.00 WATR
+ATOM 1692 OT HOH 427 11.0828 -6.1567 3.70887 1.00 0.00 WATR
+ATOM 1693 HT HOH 427 11.8510 -5.6007 3.57861 1.00 0.00 WATR
+ATOM 1694 HT HOH 427 10.3374 -5.5690 3.58512 1.00 0.00 WATR
+ATOM 1695 OT HOH 428 8.62193 -3.6939 3.70694 1.00 0.00 WATR
+ATOM 1696 HT HOH 428 9.37109 -3.1105 3.58610 1.00 0.00 WATR
+ATOM 1697 HT HOH 428 7.85750 -3.1255 3.61302 1.00 0.00 WATR
+ATOM 1698 OT HOH 429 8.62188 -6.1564 6.17503 1.00 0.00 WATR
+ATOM 1699 HT HOH 429 9.36649 -5.5760 6.01711 1.00 0.00 WATR
+ATOM 1700 HT HOH 429 7.85292 -5.6082 6.01880 1.00 0.00 WATR
+ATOM 1701 OT HOH 430 11.0828 -3.6916 6.17708 1.00 0.00 WATR
+ATOM 1702 HT HOH 430 11.8524 -3.1474 6.01041 1.00 0.00 WATR
+ATOM 1703 HT HOH 430 10.3389 -3.1178 5.99366 1.00 0.00 WATR
+ATOM 1704 OT HOH 431 11.0831 -6.1565 8.63910 1.00 0.00 WATR
+ATOM 1705 HT HOH 431 11.8536 -5.6096 8.48563 1.00 0.00 WATR
+ATOM 1706 HT HOH 431 10.3402 -5.5793 8.46257 1.00 0.00 WATR
+ATOM 1707 OT HOH 432 8.62176 -3.6800 8.65581 1.00 0.00 WATR
+ATOM 1708 HT HOH 432 9.36464 -3.1907 8.30221 1.00 0.00 WATR
+ATOM 1709 HT HOH 432 7.85132 -3.2326 8.30580 1.00 0.00 WATR
+ATOM 1710 OT HOH 433 8.62186 -6.1573 11.1059 1.00 0.00 WATR
+ATOM 1711 HT HOH 433 9.37355 -5.5930 10.9249 1.00 0.00 WATR
+ATOM 1712 HT HOH 433 7.85972 -5.6080 10.9224 1.00 0.00 WATR
+ATOM 1713 OT HOH 434 11.0892 -3.7000 11.0971 1.00 0.00 WATR
+ATOM 1714 HT HOH 434 11.8931 -3.1879 11.0092 1.00 0.00 WATR
+ATOM 1715 HT HOH 434 10.3847 -3.0638 10.9740 1.00 0.00 WATR
+ATOM 1716 OT HOH 435 11.0737 -6.1522 13.5666 1.00 0.00 WATR
+ATOM 1717 HT HOH 435 11.9024 -5.6831 13.4696 1.00 0.00 WATR
+ATOM 1718 HT HOH 435 10.4037 -5.5024 13.3544 1.00 0.00 WATR
+ATOM 1719 OT HOH 436 8.62176 -3.6958 13.5426 1.00 0.00 WATR
+ATOM 1720 HT HOH 436 9.37383 -3.1228 13.6919 1.00 0.00 WATR
+ATOM 1721 HT HOH 436 7.85999 -3.1336 13.6835 1.00 0.00 WATR
+ATOM 1722 SOD ION 437 8.61957 -6.1334 16.0129 1.00 0.00 SALT
+ATOM 1723 OT HOH 438 11.0763 -3.6952 16.0044 1.00 0.00 WATR
+ATOM 1724 HT HOH 438 11.8786 -3.1752 16.0489 1.00 0.00 WATR
+ATOM 1725 HT HOH 438 10.3700 -3.0548 16.0896 1.00 0.00 WATR
+ATOM 1726 OT HOH 439 11.0719 -6.1499 18.4541 1.00 0.00 WATR
+ATOM 1727 HT HOH 439 11.8993 -5.6818 18.5663 1.00 0.00 WATR
+ATOM 1728 HT HOH 439 10.4022 -5.5211 18.7232 1.00 0.00 WATR
+ATOM 1729 OT HOH 440 8.62206 -3.6972 18.4471 1.00 0.00 WATR
+ATOM 1730 HT HOH 440 9.37378 -3.1356 18.6359 1.00 0.00 WATR
+ATOM 1731 HT HOH 440 7.85997 -3.1519 18.6421 1.00 0.00 WATR
+ATOM 1732 OT HOH 441 8.62026 -1.2296 -18.497 1.00 0.00 WATR
+ATOM 1733 HT HOH 441 9.37355 -0.6679 -18.315 1.00 0.00 WATR
+ATOM 1734 HT HOH 441 7.86012 -0.6883 -18.284 1.00 0.00 WATR
+ATOM 1735 OT HOH 442 11.0871 1.23238 -18.469 1.00 0.00 WATR
+ATOM 1736 HT HOH 442 11.8245 1.83249 -18.580 1.00 0.00 WATR
+ATOM 1737 HT HOH 442 10.3116 1.78762 -18.550 1.00 0.00 WATR
+ATOM 1738 OT HOH 443 11.0921 -1.2298 -16.034 1.00 0.00 WATR
+ATOM 1739 HT HOH 443 11.7950 -0.6134 -15.828 1.00 0.00 WATR
+ATOM 1740 HT HOH 443 10.2886 -0.7625 -15.805 1.00 0.00 WATR
+ATOM 1741 OT HOH 444 8.62058 1.23495 -16.042 1.00 0.00 WATR
+ATOM 1742 HT HOH 444 9.29784 1.84247 -15.744 1.00 0.00 WATR
+ATOM 1743 HT HOH 444 7.79730 1.64411 -15.775 1.00 0.00 WATR
+ATOM 1744 OT HOH 445 11.0924 1.25862 -13.595 1.00 0.00 WATR
+ATOM 1745 HT HOH 445 11.7906 1.69864 -13.110 1.00 0.00 WATR
+ATOM 1746 HT HOH 445 10.2871 1.52698 -13.152 1.00 0.00 WATR
+ATOM 1747 OT HOH 446 8.61819 -1.2310 -3.6859 1.00 0.00 WATR
+ATOM 1748 HT HOH 446 9.42944 -0.7353 -3.7974 1.00 0.00 WATR
+ATOM 1749 HT HOH 446 7.92416 -0.5769 -3.7677 1.00 0.00 WATR
+ATOM 1750 OT HOH 447 11.0740 1.23665 -3.6691 1.00 0.00 WATR
+ATOM 1751 HT HOH 447 11.8983 1.66842 -3.8932 1.00 0.00 WATR
+ATOM 1752 HT HOH 447 10.3973 1.86173 -3.9290 1.00 0.00 WATR
+ATOM 1753 OT HOH 448 11.0819 -1.2299 -1.2186 1.00 0.00 WATR
+ATOM 1754 HT HOH 448 11.8724 -0.7095 -1.3622 1.00 0.00 WATR
+ATOM 1755 HT HOH 448 10.3618 -0.6117 -1.3431 1.00 0.00 WATR
+ATOM 1756 OT HOH 449 8.61787 1.23270 -1.2178 1.00 0.00 WATR
+ATOM 1757 HT HOH 449 9.41649 1.73968 -1.3641 1.00 0.00 WATR
+ATOM 1758 HT HOH 449 7.90741 1.85979 -1.3529 1.00 0.00 WATR
+ATOM 1759 OT HOH 450 8.61986 -1.2317 1.24098 1.00 0.00 WATR
+ATOM 1760 HT HOH 450 9.38703 -0.6695 1.13323 1.00 0.00 WATR
+ATOM 1761 HT HOH 450 7.87396 -0.6361 1.17011 1.00 0.00 WATR
+ATOM 1762 OT HOH 451 11.0810 1.23374 1.25095 1.00 0.00 WATR
+ATOM 1763 HT HOH 451 11.8724 1.73968 1.06686 1.00 0.00 WATR
+ATOM 1764 HT HOH 451 10.3617 1.83730 1.06512 1.00 0.00 WATR
+ATOM 1765 OT HOH 452 11.0827 -1.2306 3.71104 1.00 0.00 WATR
+ATOM 1766 HT HOH 452 11.8567 -0.6879 3.56029 1.00 0.00 WATR
+ATOM 1767 HT HOH 452 10.3437 -0.6381 3.57329 1.00 0.00 WATR
+ATOM 1768 OT HOH 453 8.62243 1.22827 3.70911 1.00 0.00 WATR
+ATOM 1769 HT HOH 453 9.37892 1.79853 3.57231 1.00 0.00 WATR
+ATOM 1770 HT HOH 453 7.86504 1.79858 3.57727 1.00 0.00 WATR
+ATOM 1771 OT HOH 454 8.62346 -1.2297 6.17822 1.00 0.00 WATR
+ATOM 1772 HT HOH 454 9.35882 -0.6415 6.00682 1.00 0.00 WATR
+ATOM 1773 HT HOH 454 7.84593 -0.6931 6.02428 1.00 0.00 WATR
+ATOM 1774 OT HOH 455 11.0815 1.22830 6.16711 1.00 0.00 WATR
+ATOM 1775 HT HOH 455 11.8628 1.78020 6.13290 1.00 0.00 WATR
+ATOM 1776 HT HOH 455 10.3505 1.84304 6.10417 1.00 0.00 WATR
+ATOM 1777 OT HOH 456 11.0719 -1.2238 8.64615 1.00 0.00 WATR
+ATOM 1778 HT HOH 456 11.8938 -0.7563 8.49737 1.00 0.00 WATR
+ATOM 1779 HT HOH 456 10.3923 -0.6072 8.37386 1.00 0.00 WATR
+ATOM 1780 OT HOH 457 8.62474 1.22541 8.63618 1.00 0.00 WATR
+ATOM 1781 HT HOH 457 9.36878 1.82200 8.55401 1.00 0.00 WATR
+ATOM 1782 HT HOH 457 7.85531 1.79133 8.57344 1.00 0.00 WATR
+ATOM 1783 SOD ION 458 8.61607 -1.2057 11.0757 1.00 0.00 SALT
+ATOM 1784 OT HOH 459 11.0755 1.22837 11.0927 1.00 0.00 WATR
+ATOM 1785 HT HOH 459 11.8753 1.74113 10.9759 1.00 0.00 WATR
+ATOM 1786 HT HOH 459 10.3679 1.86984 11.0296 1.00 0.00 WATR
+ATOM 1787 OT HOH 460 11.0719 -1.2270 13.5360 1.00 0.00 WATR
+ATOM 1788 HT HOH 460 11.9036 -0.7549 13.5770 1.00 0.00 WATR
+ATOM 1789 HT HOH 460 10.4077 -0.5578 13.7009 1.00 0.00 WATR
+ATOM 1790 OT HOH 461 8.62188 1.22571 13.5388 1.00 0.00 WATR
+ATOM 1791 HT HOH 461 9.36397 1.82914 13.5765 1.00 0.00 WATR
+ATOM 1792 HT HOH 461 7.85053 1.79121 13.5770 1.00 0.00 WATR
+ATOM 1793 OT HOH 462 8.62139 -1.2318 15.9975 1.00 0.00 WATR
+ATOM 1794 HT HOH 462 9.37530 -0.6514 16.1022 1.00 0.00 WATR
+ATOM 1795 HT HOH 462 7.86145 -0.6595 16.1034 1.00 0.00 WATR
+ATOM 1796 OT HOH 463 11.0818 1.22960 16.0071 1.00 0.00 WATR
+ATOM 1797 HT HOH 463 11.8540 1.79515 16.0188 1.00 0.00 WATR
+ATOM 1798 HT HOH 463 10.3408 1.83461 16.0391 1.00 0.00 WATR
+ATOM 1799 OT HOH 464 11.0836 -1.2326 18.4640 1.00 0.00 WATR
+ATOM 1800 HT HOH 464 11.8439 -0.6539 18.5224 1.00 0.00 WATR
+ATOM 1801 HT HOH 464 10.3304 -0.6493 18.5570 1.00 0.00 WATR
+ATOM 1802 OT HOH 465 8.62213 1.23088 18.4654 1.00 0.00 WATR
+ATOM 1803 HT HOH 465 9.36188 1.83639 18.5140 1.00 0.00 WATR
+ATOM 1804 HT HOH 465 7.84901 1.78976 18.5437 1.00 0.00 WATR
+ATOM 1805 OT HOH 466 8.63275 3.69837 -18.480 1.00 0.00 WATR
+ATOM 1806 HT HOH 466 9.27951 4.40398 -18.476 1.00 0.00 WATR
+ATOM 1807 HT HOH 466 7.79317 4.14172 -18.358 1.00 0.00 WATR
+ATOM 1808 OT HOH 467 11.0851 6.16586 -18.500 1.00 0.00 WATR
+ATOM 1809 HT HOH 467 11.8359 6.65328 -18.161 1.00 0.00 WATR
+ATOM 1810 HT HOH 467 10.3221 6.63766 -18.167 1.00 0.00 WATR
+ATOM 1811 SOD ION 468 11.0791 3.71468 -15.985 1.00 0.00 SALT
+ATOM 1812 OT HOH 469 8.63272 6.16288 -16.039 1.00 0.00 WATR
+ATOM 1813 HT HOH 469 9.30293 6.78395 -15.754 1.00 0.00 WATR
+ATOM 1814 HT HOH 469 7.80378 6.57867 -15.802 1.00 0.00 WATR
+ATOM 1815 OT HOH 470 8.64046 3.71285 -13.586 1.00 0.00 WATR
+ATOM 1816 HT HOH 470 9.26586 4.31107 -13.177 1.00 0.00 WATR
+ATOM 1817 HT HOH 470 7.78252 4.04590 -13.323 1.00 0.00 WATR
+ATOM 1818 OT HOH 471 11.0790 6.16492 -13.592 1.00 0.00 WATR
+ATOM 1819 HT HOH 471 11.8593 6.58394 -13.229 1.00 0.00 WATR
+ATOM 1820 HT HOH 471 10.3480 6.67254 -13.239 1.00 0.00 WATR
+ATOM 1821 OT HOH 472 11.0838 6.15699 -8.6222 1.00 0.00 WATR
+ATOM 1822 HT HOH 472 11.8426 6.74025 -8.6323 1.00 0.00 WATR
+ATOM 1823 HT HOH 472 10.3298 6.74493 -8.5764 1.00 0.00 WATR
+ATOM 1824 OT HOH 473 11.0818 3.69707 -6.1381 1.00 0.00 WATR
+ATOM 1825 HT HOH 473 11.8459 4.24789 -6.3081 1.00 0.00 WATR
+ATOM 1826 HT HOH 473 10.3328 4.27789 -6.2716 1.00 0.00 WATR
+ATOM 1827 OT HOH 474 11.0956 6.15721 -3.6681 1.00 0.00 WATR
+ATOM 1828 HT HOH 474 11.8583 6.70291 -3.8597 1.00 0.00 WATR
+ATOM 1829 HT HOH 474 10.3482 6.67747 -3.9629 1.00 0.00 WATR
+ATOM 1830 OT HOH 475 11.0778 3.70024 -1.2054 1.00 0.00 WATR
+ATOM 1831 HT HOH 475 11.8775 4.17894 -1.4235 1.00 0.00 WATR
+ATOM 1832 HT HOH 475 10.3680 4.28400 -1.4731 1.00 0.00 WATR
+ATOM 1833 OT HOH 476 8.62474 6.16069 -1.2067 1.00 0.00 WATR
+ATOM 1834 HT HOH 476 9.35796 6.76215 -1.3366 1.00 0.00 WATR
+ATOM 1835 HT HOH 476 7.84603 6.69271 -1.3702 1.00 0.00 WATR
+ATOM 1836 OT HOH 477 8.61720 3.71611 1.26998 1.00 0.00 WATR
+ATOM 1837 HT HOH 477 9.39567 4.10941 0.87559 1.00 0.00 WATR
+ATOM 1838 HT HOH 477 7.88290 4.15798 0.84367 1.00 0.00 WATR
+ATOM 1839 OT HOH 478 11.0689 6.16689 1.26021 1.00 0.00 WATR
+ATOM 1840 HT HOH 478 11.9236 6.57579 1.12436 1.00 0.00 WATR
+ATOM 1841 HT HOH 478 10.4404 6.80957 0.93132 1.00 0.00 WATR
+ATOM 1842 OT HOH 479 11.0872 3.68945 3.70879 1.00 0.00 WATR
+ATOM 1843 HT HOH 479 11.9085 4.17212 3.61519 1.00 0.00 WATR
+ATOM 1844 HT HOH 479 10.4055 4.34329 3.55359 1.00 0.00 WATR
+ATOM 1845 SOD ION 480 8.63903 6.17295 3.66887 1.00 0.00 SALT
+ATOM 1846 OT HOH 481 8.62895 3.69263 6.14330 1.00 0.00 WATR
+ATOM 1847 HT HOH 481 9.42134 4.19953 6.32045 1.00 0.00 WATR
+ATOM 1848 HT HOH 481 7.91049 4.28757 6.35797 1.00 0.00 WATR
+ATOM 1849 OT HOH 482 11.0631 6.16544 6.15390 1.00 0.00 WATR
+ATOM 1850 HT HOH 482 11.9480 6.52549 6.09463 1.00 0.00 WATR
+ATOM 1851 HT HOH 482 10.4987 6.93165 6.25704 1.00 0.00 WATR
+ATOM 1852 OT HOH 483 11.0702 3.69209 8.62495 1.00 0.00 WATR
+ATOM 1853 HT HOH 483 11.9035 4.15958 8.56721 1.00 0.00 WATR
+ATOM 1854 HT HOH 483 10.4072 4.38250 8.62522 1.00 0.00 WATR
+ATOM 1855 OT HOH 484 8.61097 6.16436 8.60225 1.00 0.00 WATR
+ATOM 1856 HT HOH 484 9.42230 6.66828 8.66609 1.00 0.00 WATR
+ATOM 1857 HT HOH 484 7.92266 6.78713 8.83596 1.00 0.00 WATR
+ATOM 1858 OT HOH 485 8.62147 3.69197 11.0832 1.00 0.00 WATR
+ATOM 1859 HT HOH 485 9.36853 4.29035 11.0751 1.00 0.00 WATR
+ATOM 1860 HT HOH 485 7.85571 4.26469 11.1261 1.00 0.00 WATR
+ATOM 1861 OT HOH 486 11.0672 6.15290 11.0977 1.00 0.00 WATR
+ATOM 1862 HT HOH 486 11.8425 6.68057 10.9062 1.00 0.00 WATR
+ATOM 1863 HT HOH 486 10.3340 6.76134 11.0055 1.00 0.00 WATR
+ATOM 1864 OT HOH 487 11.0820 3.69130 13.5526 1.00 0.00 WATR
+ATOM 1865 HT HOH 487 11.8493 4.25934 13.4834 1.00 0.00 WATR
+ATOM 1866 HT HOH 487 10.3360 4.28939 13.5091 1.00 0.00 WATR
+ATOM 1867 OT HOH 488 8.62445 6.15729 13.5512 1.00 0.00 WATR
+ATOM 1868 HT HOH 488 9.33188 6.80004 13.4996 1.00 0.00 WATR
+ATOM 1869 HT HOH 488 7.82300 6.68013 13.5282 1.00 0.00 WATR
+ATOM 1870 OT HOH 489 8.62285 3.69199 16.0095 1.00 0.00 WATR
+ATOM 1871 HT HOH 489 9.35050 4.31383 16.0029 1.00 0.00 WATR
+ATOM 1872 HT HOH 489 7.83849 4.24052 16.0201 1.00 0.00 WATR
+ATOM 1873 OT HOH 490 11.0836 6.16106 16.0273 1.00 0.00 WATR
+ATOM 1874 HT HOH 490 11.8359 6.72597 15.8509 1.00 0.00 WATR
+ATOM 1875 HT HOH 490 10.3223 6.70693 15.8307 1.00 0.00 WATR
+ATOM 1876 OT HOH 491 11.0844 3.69069 18.4742 1.00 0.00 WATR
+ATOM 1877 HT HOH 491 11.8395 4.27895 18.4798 1.00 0.00 WATR
+ATOM 1878 HT HOH 491 10.3256 4.27405 18.4881 1.00 0.00 WATR
+ATOM 1879 OT HOH 492 8.61927 6.15148 18.4649 1.00 0.00 WATR
+ATOM 1880 HT HOH 492 9.28885 6.82905 18.5588 1.00 0.00 WATR
+ATOM 1881 HT HOH 492 7.78942 6.62030 18.5530 1.00 0.00 WATR
+ATOM 1882 OT HOH 493 8.63797 8.63084 -18.504 1.00 0.00 WATR
+ATOM 1883 HT HOH 493 9.26643 9.27250 -18.173 1.00 0.00 WATR
+ATOM 1884 HT HOH 493 7.78149 9.00731 -18.302 1.00 0.00 WATR
+ATOM 1885 OT HOH 494 11.0854 11.0820 -18.497 1.00 0.00 WATR
+ATOM 1886 HT HOH 494 11.8318 11.6622 -18.347 1.00 0.00 WATR
+ATOM 1887 HT HOH 494 10.3183 11.6304 -18.333 1.00 0.00 WATR
+ATOM 1888 OT HOH 495 11.0839 8.62611 -16.044 1.00 0.00 WATR
+ATOM 1889 HT HOH 495 11.8374 9.14380 -15.761 1.00 0.00 WATR
+ATOM 1890 HT HOH 495 10.3236 9.13710 -15.767 1.00 0.00 WATR
+ATOM 1891 OT HOH 496 8.62819 11.0870 -16.032 1.00 0.00 WATR
+ATOM 1892 HT HOH 496 9.36269 11.6767 -15.862 1.00 0.00 WATR
+ATOM 1893 HT HOH 496 7.85088 11.6061 -15.826 1.00 0.00 WATR
+ATOM 1894 OT HOH 497 8.62600 8.62488 -13.579 1.00 0.00 WATR
+ATOM 1895 HT HOH 497 9.34464 9.19304 -13.301 1.00 0.00 WATR
+ATOM 1896 HT HOH 497 7.83388 9.09843 -13.325 1.00 0.00 WATR
+ATOM 1897 OT HOH 498 11.0872 11.0891 -13.572 1.00 0.00 WATR
+ATOM 1898 HT HOH 498 11.8298 11.6533 -13.357 1.00 0.00 WATR
+ATOM 1899 HT HOH 498 10.3165 11.6112 -13.350 1.00 0.00 WATR
+ATOM 1900 OT HOH 499 11.0818 8.62650 -11.107 1.00 0.00 WATR
+ATOM 1901 HT HOH 499 11.8384 9.18442 -10.926 1.00 0.00 WATR
+ATOM 1902 HT HOH 499 10.3251 9.16912 -10.885 1.00 0.00 WATR
+ATOM 1903 OT HOH 500 8.62733 11.0919 -11.114 1.00 0.00 WATR
+ATOM 1904 HT HOH 500 9.35757 11.6522 -10.852 1.00 0.00 WATR
+ATOM 1905 HT HOH 500 7.84558 11.5762 -10.849 1.00 0.00 WATR
+ATOM 1906 OT HOH 501 11.0959 11.0897 -8.6325 1.00 0.00 WATR
+ATOM 1907 HT HOH 501 11.7746 11.7546 -8.5164 1.00 0.00 WATR
+ATOM 1908 HT HOH 501 10.2726 11.5651 -8.5211 1.00 0.00 WATR
+ATOM 1909 OT HOH 502 11.0856 8.62685 -6.1373 1.00 0.00 WATR
+ATOM 1910 HT HOH 502 11.8263 9.22683 -6.2239 1.00 0.00 WATR
+ATOM 1911 HT HOH 502 10.3230 9.14988 -6.3843 1.00 0.00 WATR
+ATOM 1912 OT HOH 503 8.63368 11.0846 -6.1433 1.00 0.00 WATR
+ATOM 1913 HT HOH 503 9.30683 11.7622 -6.2068 1.00 0.00 WATR
+ATOM 1914 HT HOH 503 7.80622 11.5621 -6.2028 1.00 0.00 WATR
+ATOM 1915 SOD ION 504 8.60302 8.62480 -3.7256 1.00 0.00 SALT
+ATOM 1916 OT HOH 505 11.0793 11.0837 -3.6885 1.00 0.00 WATR
+ATOM 1917 HT HOH 505 11.8587 11.6394 -3.6930 1.00 0.00 WATR
+ATOM 1918 HT HOH 505 10.3473 11.6964 -3.7589 1.00 0.00 WATR
+ATOM 1919 OT HOH 506 11.0730 8.62586 -1.2259 1.00 0.00 WATR
+ATOM 1920 HT HOH 506 11.9104 9.08806 -1.2627 1.00 0.00 WATR
+ATOM 1921 HT HOH 506 10.4145 9.32011 -1.2496 1.00 0.00 WATR
+ATOM 1922 OT HOH 507 8.62354 11.0824 -1.2155 1.00 0.00 WATR
+ATOM 1923 HT HOH 507 9.35678 11.6818 -1.3544 1.00 0.00 WATR
+ATOM 1924 HT HOH 507 7.84499 11.6109 -1.3910 1.00 0.00 WATR
+ATOM 1925 OT HOH 508 8.62023 8.63453 1.27404 1.00 0.00 WATR
+ATOM 1926 HT HOH 508 9.38747 9.07899 0.91339 1.00 0.00 WATR
+ATOM 1927 HT HOH 508 7.87416 9.07857 0.87102 1.00 0.00 WATR
+ATOM 1928 OT HOH 509 11.0590 11.0941 1.25635 1.00 0.00 WATR
+ATOM 1929 HT HOH 509 11.9407 11.4395 1.11655 1.00 0.00 WATR
+ATOM 1930 HT HOH 509 10.4772 11.7977 0.96868 1.00 0.00 WATR
+ATOM 1931 OT HOH 510 11.0705 8.61879 3.71190 1.00 0.00 WATR
+ATOM 1932 HT HOH 510 11.9649 8.92044 3.55304 1.00 0.00 WATR
+ATOM 1933 HT HOH 510 10.5237 9.38327 3.53085 1.00 0.00 WATR
+ATOM 1934 SOD ION 511 8.62373 11.1137 3.68018 1.00 0.00 SALT
+ATOM 1935 OT HOH 512 8.61395 8.61943 6.13873 1.00 0.00 WATR
+ATOM 1936 HT HOH 512 9.40607 9.13220 6.29941 1.00 0.00 WATR
+ATOM 1937 HT HOH 512 7.89514 9.22082 6.33334 1.00 0.00 WATR
+ATOM 1938 OT HOH 513 11.0676 11.0891 6.16281 1.00 0.00 WATR
+ATOM 1939 HT HOH 513 11.9150 11.5154 6.03520 1.00 0.00 WATR
+ATOM 1940 HT HOH 513 10.4394 11.8104 6.20072 1.00 0.00 WATR
+ATOM 1941 OT HOH 514 11.0810 8.63128 8.64572 1.00 0.00 WATR
+ATOM 1942 HT HOH 514 11.8350 9.12254 8.31967 1.00 0.00 WATR
+ATOM 1943 HT HOH 514 10.3388 9.22393 8.52674 1.00 0.00 WATR
+ATOM 1944 OT HOH 515 8.62351 11.0848 8.62302 1.00 0.00 WATR
+ATOM 1945 HT HOH 515 9.36001 11.6937 8.56788 1.00 0.00 WATR
+ATOM 1946 HT HOH 515 7.84743 11.6449 8.60773 1.00 0.00 WATR
+ATOM 1947 OT HOH 516 8.62612 8.62303 11.0884 1.00 0.00 WATR
+ATOM 1948 HT HOH 516 9.32360 9.27329 11.0051 1.00 0.00 WATR
+ATOM 1949 HT HOH 516 7.81738 9.13461 11.0677 1.00 0.00 WATR
+ATOM 1950 OT HOH 517 11.0987 11.0932 11.1106 1.00 0.00 WATR
+ATOM 1951 HT HOH 517 11.7621 11.7128 10.8070 1.00 0.00 WATR
+ATOM 1952 HT HOH 517 10.2659 11.5402 10.9597 1.00 0.00 WATR
+ATOM 1953 OT HOH 518 11.0853 8.62086 13.5483 1.00 0.00 WATR
+ATOM 1954 HT HOH 518 11.7397 9.31736 13.6027 1.00 0.00 WATR
+ATOM 1955 HT HOH 518 10.2481 9.08180 13.4951 1.00 0.00 WATR
+ATOM 1956 OT HOH 519 8.63092 11.0861 13.5548 1.00 0.00 WATR
+ATOM 1957 HT HOH 519 9.30998 11.7566 13.4808 1.00 0.00 WATR
+ATOM 1958 HT HOH 519 7.80762 11.5703 13.4925 1.00 0.00 WATR
+ATOM 1959 OT HOH 520 8.63696 8.62712 16.0211 1.00 0.00 WATR
+ATOM 1960 HT HOH 520 9.25754 9.34280 15.8837 1.00 0.00 WATR
+ATOM 1961 HT HOH 520 7.77661 9.04505 15.9841 1.00 0.00 WATR
+ATOM 1962 OT HOH 521 11.0960 11.0846 16.0051 1.00 0.00 WATR
+ATOM 1963 HT HOH 521 11.7722 11.7466 16.1494 1.00 0.00 WATR
+ATOM 1964 HT HOH 521 10.2739 11.5747 16.0168 1.00 0.00 WATR
+ATOM 1965 SOD ION 522 11.0806 8.63328 18.4858 1.00 0.00 SALT
+ATOM 1966 OT HOH 523 8.63341 11.0834 18.4670 1.00 0.00 WATR
+ATOM 1967 HT HOH 523 9.32116 11.7457 18.5347 1.00 0.00 WATR
+ATOM 1968 HT HOH 523 7.81662 11.5815 18.4987 1.00 0.00 WATR
+END
diff --git a/tools/ch2lmp/example/1ac7_trj.psf b/tools/ch2lmp/example/1ac7_trj.psf
new file mode 120000
index 0000000000..f42871040f
--- /dev/null
+++ b/tools/ch2lmp/example/1ac7_trj.psf
@@ -0,0 +1 @@
+1ac7_ctrl.psf
\ No newline at end of file
diff --git a/tools/ch2lmp/example/par_all27_na.prm b/tools/ch2lmp/example/par_all27_na.prm
new file mode 100755
index 0000000000..b721c37393
--- /dev/null
+++ b/tools/ch2lmp/example/par_all27_na.prm
@@ -0,0 +1,1654 @@
+* \\\\ CHARMM27 All-Hydrogen Nucleic Acid Parameter File ////
+* \\\\\\\\\\\\\\\\\\ Developmental ////////////////////////
+* Alexander D. MacKerell Jr. and Nicolas Foloppe
+* December, 2003
+* All comments to ADM jr. via the CHARMM web site: www.charmm.org
+* parameter set discussion forum
+*
+
+!
+!references
+!
+!NUCLEIC ACIDS
+!
+!Foloppe, N. and MacKerell, Jr., A.D. "All-Atom Empirical Force Field for
+!Nucleic Acids: 2) Parameter Optimization Based on Small Molecule and
+!Condensed Phase Macromolecular Target Data. 2000, 21: 86-104.
+!
+!and
+!
+!MacKerell, Jr., A.D. and Banavali, N. "All-Atom Empirical Force Field for
+!Nucleic Acids: 2) Application to Molecular Dynamics Simulations of DNA
+!and RNA in Solution. 2000, 21: 105-120.
+!
+
+BONDS
+!
+!V(bond) = Kb(b - b0)**2
+!
+!Kb: kcal/mole/A**2
+!b0: A
+!
+!atom type Kb b0
+!
+!2-(aminobutyl)-1,3-propandiol terms
+CN8 NN6 200.000 1.480 ! methylammonium
+NN6 HN1 403.000 1.040 ! methylammonium
+!abasic deoxynucleoside
+ON6 CN8B 260.0 1.420 ! susil
+CN8 CN8B 222.50 1.528 ! Alkanes, sacred
+!
+!NICH parameters to maintain back compatibility following
+!atom type switch from HN3 to HN6
+CN3C HN6 374.0 1.09 !nadh/ppi, jjp1/adm jr. 7/95
+CN3 HN6 350.0 1.09 !nadh, adm jr., 8/98
+!
+CN1 CN3 302.0 1.409 !U, adm jr. 11/97
+CN1 CN3T 302.0 1.403 !T, adm jr. 11/97
+CN1A CN3 302.0 1.480 !nad/ppi, jjp1/adm jr. 7/95
+CN1 CN5G 302.0 1.360 !G, adm jr. 11/97
+CN1A NN1 560.0 1.360 !nad/ppi, jjp1/adm jr. 7/95
+CN1 NN2 380.0 1.367 !C, adm jr. 11/97
+CN1T NN2B 302.0 1.348 !U,T adm jr. 11/97
+CN1 NN2G 340.0 1.396 !G, adm jr. 11/97
+CN1 NN2U 340.0 1.389 !U,T adm jr. 11/97
+CN1T NN2U 340.0 1.383 !U,T adm jr. 11/97
+CN1 NN3 350.0 1.335 !C, adm jr. 11/97
+CN1 ON1 660.0 1.234 !U,A,G par_a4 adm jr. 10/2/91
+CN1A ON1 860.0 1.230 !nad/ppi, jjp1/adm jr. 7/95
+CN1T ON1 860.0 1.230 !nad/ppi, jjp1/adm jr. 7/95
+CN1 ON1C 620.0 1.245 !C, adm jr. 10/2/91
+CN2 CN3 320.0 1.406 !C, adm jr. 11/97
+CN2 CN3D 260.0 1.405 !5mc, adm jr. 9/9/93, from cn2 cn3
+CN2 CN5 360.0 1.358 !A, adm jr. 11/97
+CN2 NN1 360.0 1.366 !C,A,G JWK, adm jr. 10/2/91
+CN2 NN2G 400.0 1.392 !G
+CN2 NN3 450.0 1.343 !C
+CN2 NN3A 400.0 1.342 !A, adm jr. 11/97
+CN2 NN3G 320.0 1.326 !G, adm jr. 11/97
+CN3 CN3 500.0 1.326 !C,U adm jr. 11/97
+CN3 CN3T 560.0 1.320 !T, adm jr. 11/97
+CN3A CN3 450.0 1.360 !nad/ppi, jjp1/adm jr. 7/95
+CN3B CN3 420.0 1.350 !nad/ppi, jjp1/adm jr. 7/95
+CN3C CN3 420.0 1.320 !nadh/ppi, jjp1/adm jr. 7/95
+CN3D CN3 560.0 1.335 !5mc, adm jr. 9/9/93, from cn3 cn3
+CN3 CN8 222.5 1.490 !nadh/ppi, jjp1/adm jr. 7/95
+CN3D CN9 230.0 1.480 !5mc, adm jr. 9/9/93, from cn3 cn9
+CN3T CN9 230.0 1.478 !T, adm jr. 11/97
+CN3 HN3 350.0 1.09 !C,U, JWK
+CN3T HN3 350.0 1.09 !T, JWK
+CN3 HN3B 350.0 1.09 !nad/ppi, jjp1/adm jr. 7/95
+CN3A HN3B 350.0 1.09 !nad/ppi, jjp1/adm jr. 7/95
+CN3B HN3B 350.0 1.09 !nad/ppi, jjp1/adm jr. 7/95
+CN3C HN3 374.0 1.09 !nadh/ppi, jjp1/adm jr. 7/95
+CN3 NN2 302.0 1.343 !C, adm jr. 11/97
+CN3 NN2B 320.0 1.343 !U,T adm jr. 11/97
+CN3B NN2 420.0 1.315 !nad/ppi, jjp1/adm jr. 7/95
+CN3C NN2 420.0 1.355 !nadh/ppi, jjp1/adm jr. 7/95
+CN4 HN3 380.0 1.09 !G,A, JWK par_a7 9/30/91
+CN4 NN2 320.0 1.374 !A, adm jr. 11/97
+CN4 NN2B 300.0 1.378 !G, adm jr. 11/97
+CN4 NN2G 350.0 1.365 !Inosine, adm jr. 2/94
+CN4 NN3A 420.0 1.322 !A, adm jr. 11/97
+CN4 NN3I 450.0 1.295 !Inosine, adm jr. 2/94
+CN4 NN4 400.0 1.305 !G,A, adm jr. 11/97
+CN5 CN5 310.0 1.361 !A, adm jr. 11/97
+CN5 CN5G 320.0 1.350 !G, adm jr. 11/97
+CN5 NN2 300.0 1.375 !A, adm jr. 11/97
+CN5 NN2B 302.0 1.375 !G, adm jr. 11/97
+CN5 NN3A 350.0 1.312 !A, JWK par_a8 9/30/91
+CN5 NN3G 350.0 1.315 !G, adm jr. 11/97
+CN5 NN3I 350.0 1.332 !Inosine, adm jr. 9/98
+CN5 NN4 310.0 1.355 !A, adm jr. 11/97
+CN5G NN4 310.0 1.365 !G, adm jr. 11/97
+CN8 CN8 222.50 1.528 !Alkanes, sacred
+CN8 CN9 222.50 1.528 !Alkanes, sacred
+CN8 NN2 400.0 1.460 !9-E-GUA, ADM JR.
+CN8 ON5 428.0 1.42 !RIBOSE, MeOH
+CN9 HN9 322.0 1.111 !alkanes
+CN9 ON2 340.0 1.43 !DMP, ADM Jr.
+HN1 NN1 488.0 1.00 !A,C,G, JWK, adm jr. 7/24/91
+HN2 NN2 474.0 1.01 !C,U, JWK
+HN2 NN2B 474.0 1.01 !G, adm jr. 11/97
+HN2 NN2G 471.0 1.01 !G, JWK, par_a12 9/30/91
+HN2 NN2U 474.0 1.01 !U, JWK, adm jr. 7/24/91
+HN4 ON4 545.0 0.960 !MP_1, ADM Jr.
+HT HT 0.0 1.5139 ! from TIPS3P geometry (for SHAKE w/PARAM)
+HT OT 450.0 0.9572 ! from TIPS3P geometry
+ON2 P 270.0 1.60 !DMP, ADM Jr.
+ON3 P 580.0 1.48 !DMP, ADM Jr.
+ON4 P 237.0 1.58 !MP_1, ADM Jr.
+ON2 P2 300.0 1.68 !nad/ppi, jjp1/adm jr. 7/95
+ON3 P2 480.0 1.53 !nad/ppi, jjp1/adm jr. 7/95
+ON2 P3 300.0 1.68 !PPI2, from nad/ppi, adm jr. 7/01
+ON3 P3 480.0 1.53 !PPI2, from nad/ppi, adm jr. 7/01
+ON4 P3 237.0 1.58 !PPI2, from MP_1, ADM Jr.
+NN5 HN1 460.0 1.01 !sugar model, adm jr.
+!@@@@@@@@@ Begining of endocyclic bonds for deoxy-ribose @@@@@@@@@
+CN7B ON6 260.0 1.420 ! From exp
+CN7B CN8 200.0 1.518 ! From exp
+CN7 ON6 240.0 1.446 ! Fom exp.
+CN7 CN7 222.5 1.529 ! From exp
+CN7 CN8 222.5 1.516 ! From exp.
+CN7 CN9 222.5 1.516 ! for 5MET, From alkanes
+CN7 HN7 309.0 1.111 !Alkanes, sacred
+CN8 HN8 309.0 1.111 !Alkanes, sacred
+CN7B HN7 309.0 1.111 ! From CN8 HN7 (NF)
+!@@@@@@@@@ End of endocyclic bonds for deoxy-ribose @@@@@@@@@
+!@@@@@@@@@ Begining of endocyclic bonds for ribose @@@@@@@@@
+CN7B ON6B 260.0 1.420 ! From CN7B ON6
+CN7 ON6B 240.0 1.480 ! From CN7 ON6
+CN7B CN7B 200.0 1.450 !
+CN7 CN7B 222.5 1.460 ! Specific to RNA
+!@@@@@@@@@ End of endocyclic bonds for ribose @@@@@@@@@
+
+!@@@@@@@@@ Begining of endocyclic bonds for arabinose @@@@@@@@@
+! Transfered from DNA
+CN7B CN7C 200.0 1.518 ! For arabinose, from CN7B CN8
+CN7 CN7C 222.5 1.516 ! For arabinose, from CN7 CN8
+CN7C HN7 309.0 1.111 ! From CN8 HN7
+!@@@@@@@@@ End of endocyclic bonds for arabinose @@@@@@@@@
+
+!@@@@@@@@@ Begining of exocyclic bonds for deoxy-ribose @@@@@@@@@
+CN7 CN8B 222.5 1.512 ! From exp.
+CN8B ON2 320.0 1.44 ! From exp
+!CN8B ON5 250.0 1.44 ! From CN8B ON2
+CN8B ON5 428.0 1.42 !From CN8 ON2, adm jr., 8/30/98
+CN7 ON2 310.0 1.433 ! From exp
+CN7B ON2 310.0 1.433 ! From exp, for NADPH etc.
+!CN7 ON5 250.0 1.420 ! ALLOW ALI ALC ARO
+CN7 ON5 428.0 1.42 !From CN8 ON2, adm jr., 8/30/98
+! C1'-N9 (purines)/C1'-N1 (pyrimidines)
+CN9 NN2 400.0 1.456 !9-M-A/C, adm jr.
+CN8 NN2B 400.0 1.458 !9-M-G/T/U, adm jr.
+CN9 NN2B 400.0 1.458 !9-M-G/T/U, adm jr.
+CN7B NN2 220.0 1.456 !A/C
+CN7B NN2B 220.0 1.458 !G/T/U
+! C5'-H in model compounds and DNA
+CN8B HN8 309.0 1.111 !Alkanes, sacred
+ON5 HN5 545.0 0.960 !RIBOSE, MeOH
+!@@@@@@@@@ End of exocyclic bonds for deoxy-ribose @@@@@@@@@
+
+!@@@@@@@@@ Begining of exocyclic bonds for ribose @@@@@@@@@
+!CN7B ON5 250.0 1.400 ! From CN7 ON5
+CN7B ON5 428.0 1.400 ! check adm jr.,
+!FC should be 428.000 based on Meoh
+!@@@@@@@@@ End of exocyclic bonds for ribose @@@@@@@@@
+
+!@@@@@@@@@ Begining of exocyclic bonds for arabinose @@@@@@@@@
+!CN7C ON5 250.0 1.400 ! From CN7 ON5
+CN7C ON5 428.0 1.400 ! check adm jr.,
+!FC should be 428.000 based on Meoh
+!@@@@@@@@@ End of exocyclic bonds for arabinose @@@@@@@@@
+
+!@@@@@@@@@ Begining of bonds for nucleotide analogue @@@@@@@@@
+CN8 ON2 340.0 1.44 !
+!@@@@@@@@@ End of bonds for nucleotide analogue @@@@@@@@@
+
+! C1'-ND1 in imidazole model compound
+CN7B NR1 220.000 1.4620 ! From crystal nucleosides A/G (NF)
+NR1 CPH1 400.000 1.3800 ! From imidazole (NF)
+NR1 CPH2 400.000 1.3600 ! From imidazole (NF)
+NR2 CPH1 400.000 1.3800 ! From imidazole (NF)
+NR2 CPH2 400.000 1.3200 ! From imidazole (NF)
+CPH1 CPH1 410.000 1.3600 ! From imidazole (NF)
+HR1 CPH2 340.000 1.0900 ! From imidazole (NF)
+HR3 CPH1 365.000 1.0830 ! From imidazole (NF)
+
+ANGLES
+!
+!V(angle) = Ktheta(Theta - Theta0)**2
+!
+!V(Urey-Bradley) = Kub(S - S0)**2
+!
+!Ktheta: kcal/mole/rad**2
+!Theta0: degrees
+!Kub: kcal/mole/A**2 (Urey-Bradley)
+!S0: A
+!
+!atom types Ktheta Theta0 Kub S0
+!
+! angle parameters have been rearranged based on model
+! compounds and functional groups. Additional angle
+! parameters follow sorted based on the central atom
+!
+!2-(aminobutyl)-1,3-propandiol terms
+CN7 CN8 CN8 58.35 113.60 11.16 2.561 !alkane
+CN8 CN7 CN8 58.35 113.60 11.16 2.561 !alkane
+CN8 CN8 CN8 58.35 113.60 11.16 2.561 !alkane
+HN1 NN6 CN8 30.00 109.50 20.00 2.074 !methylammonium
+NN6 CN8 HN8 45.00 107.50 35.00 2.101 !methylammonium
+CN7 CN8 ON2 115.00 109.70 !DNA exocyclic angles
+NN6 CN8 CN8 67.70 110.00 !methylammonium
+HN1 NN6 HN1 44.00 109.50 !methylammonium
+!abasic propyl linkage
+ON2 CN8 CN8 115.0 109.7 !DNA exocyclic angles
+!abasic deoxynucleoside
+CN7 ON6 CN8B 110.0 109.0
+ON6 CN8B CN8 90.0 106.0
+CN8B CN8 CN7 80.0 106.0
+ON6 CN8B HN8 45.2 107.24 !
+HN8 CN8B CN8 34.53 110.10 22.53 2.179 ! alkane
+HN8 CN8 CN8B 34.53 110.10 22.53 2.179 ! alkane
+
+!NICH parameters to maintain back compatibility following
+!atom type switch from HN3 to HN6
+NN2 CN3C HN6 42.0 119.0 !nad/ppi, jjp1/adm jr. 7/95
+HN6 CN3C CN3 42.0 119.0 !nadh/ppi, jjp1/adm jr. 7/95
+HN6 CN3 CN8 30.0 116.0 !nadh/ppi, jjp1/adm jr. 7/95
+CN3C CN3 HN6 42.0 119.0 !nadh/ppi, jjp1/adm jr. 7/95
+! pyrmidines
+!@@@@@@@@ Adenine
+! ade 6-mem ring
+CN2 NN3A CN4 90.0 117.8 !6R) adm jr. 11/97
+NN3A CN4 NN3A 60.0 133.0 !6R)
+CN4 NN3A CN5 90.0 110.1 !6R)
+CN5 CN5 NN3A 60.0 127.4 !6R) bridgeC4
+CN2 CN5 CN5 60.0 121.0 !6R) bridgeC5
+CN5 CN2 NN3A 60.0 110.7 !6R)
+CN5 CN5 NN2 100.0 105.7 !5R) bridgeC4
+CN5 CN5 NN4 100.0 110.0 !5R) bridgeC5
+CN4 NN4 CN5 120.0 104.6 !5R)
+NN2 CN4 NN4 100.0 113.4 !5R)
+CN4 NN2 CN5 100.0 106.3 !5R)
+NN2 CN5 NN3A 100.0 126.9 !bridgeC4
+CN2 CN5 NN4 100.0 129.0 !bridgeC5
+HN3 CN4 NN3A 38.0 113.5 !h2
+NN3A CN2 NN1 50.0 130.7 !n6
+CN5 CN2 NN1 50.0 118.6 !
+CN2 NN1 HN1 40.0 121.5 !h61,h62, C,A,G
+HN1 NN1 HN1 31.0 117.0 !C,A,G
+NN4 CN4 HN3 39.0 124.8 !h8, G,A
+NN2 CN4 HN3 39.0 121.8 !
+CN5 NN2 HN2 30.0 129.4 !h9
+CN4 NN2 HN2 30.0 125.0 !
+!@@@@@@@@ Guanine
+! gua 6-mem ring
+CN1 NN2G CN2 70.0 131.1 !6R)G, adm jr. 11/97
+NN2G CN2 NN3G 70.0 122.2 !6R)
+CN2 NN3G CN5 90.0 109.4 !6R)
+CN5G CN5 NN3G 70.0 129.9 !6R) bridgeC4
+CN1 CN5G CN5 70.0 119.6 !6R) bridgeC5
+CN5G CN1 NN2G 70.0 107.8 !6R)
+CN5G CN5 NN2B 100.0 104.6 !5R) bridgeC4
+CN5 CN5G NN4 100.0 111.4 !5R) bridgeC5
+CN4 NN4 CN5G 120.0 103.8 !5R)
+NN2B CN4 NN4 100.0 113.0 !5R)
+CN4 NN2B CN5 100.0 107.2 !5R)
+NN2B CN5 NN3G 140.0 125.5 ! bridgeC4
+CN1 CN5G NN4 125.0 129.0 ! bridgeC5
+CN1 NN2G HN2 45.0 113.3 ! h1
+CN2 NN2G HN2 45.0 115.6 !
+NN1 CN2 NN2G 95.0 115.4 ! n2
+NN1 CN2 NN3G 95.0 122.4 !
+NN2G CN1 ON1 50.0 127.5 ! o6
+CN5G CN1 ON1 50.0 124.7 !
+HN3 CN4 NN2B 40.0 122.2 ! h8 (NN4 CN4 HN3 124.8)
+CN4 NN2B HN2 30.0 124.6 ! h9
+CN5 NN2B HN2 30.0 129.3 !
+!@@@@@@@@ Cytosine
+! cyt 6-mem ring
+CN1 NN2 CN3 50.0 124.1 !C, adm jr. 11/97
+NN2 CN1 NN3 50.0 116.8 !C
+CN1 NN3 CN2 85.0 119.1 !C
+CN3 CN2 NN3 85.0 119.3 !C
+CN2 CN3 CN3 85.0 117.8 !C
+CN3 CN3 NN2 85.0 122.9 !C
+CN1 NN2 HN2 37.0 121.2 !C, h1
+CN3 NN2 HN2 37.0 114.7 !C
+NN2 CN1 ON1C 130.0 119.4 !C, o2
+NN3 CN1 ON1C 130.0 123.8 !C
+NN3 CN2 NN1 81.0 122.3 !C, n4
+CN3 CN2 NN1 81.0 118.4 !C
+CN2 CN3 HN3 38.0 120.1 !C h5
+CN3 CN3 HN3 38.0 122.1 !C,U
+HN3 CN3 NN2 44.0 115.0 !C, h6
+!@@@@@@@@ Uracil
+! ura 6-mem ring
+CN1T NN2B CN3 70.0 122.0 !U, adm jr. 11/97
+NN2B CN1T NN2U 50.0 114.0 !U
+CN1T NN2U CN1 50.0 130.2 !U
+NN2U CN1 CN3 70.0 112.6 !U
+CN1 CN3 CN3 100.0 117.6 !U
+CN3 CN3 NN2B 100.0 123.6 !U
+CN1T NN2B HN2 40.5 122.0 !U, h1
+CN3 NN2B HN2 32.0 116.0 !U
+NN2B CN1T ON1 100.0 121.6 !U, o2
+NN2U CN1T ON1 100.0 124.4 !U
+CN1T NN2U HN2 40.5 114.4 !U, h3
+CN1 NN2U HN2 40.5 115.4 !U
+NN2U CN1 ON1 100.0 121.9 !U, o4
+CN3 CN1 ON1 100.0 125.5 !U,
+CN1 CN3 HN3 30.0 120.3 !U, h5
+HN3 CN3 NN2B 30.0 114.3 !U, h6
+! thymine 6-mem ring (unique from ura)
+CN3T CN1 NN2U 70.0 113.5 !T, adm jr. 11/97
+CN1 CN3T CN3 120.0 116.7 !T
+CN3T CN3 NN2B 120.0 123.6 !125.3 !T
+CN3T CN1 ON1 100.0 124.6 !T, o4
+CN1 CN3T CN9 38.0 118.7 !T, c5 methyl
+CN3 CN3T CN9 38.0 124.6 !T
+CN3T CN3 HN3 30.0 122.1 !T, h6
+! Inosine, adm jr., 9/98 update
+HN3 CN4 NN3I 35.0 116.75 !c2
+HN3 CN4 NN2G 35.0 115.75 !c2
+NN3I CN4 NN2G 80.0 127.5 !c2
+CN5G CN5 NN3I 100.0 127.0 !c4, r6
+NN2B CN5 NN3I 140.0 128.4 !c4, r5
+CN1 NN2G CN4 125.0 129.7 !n1
+CN4 NN2G HN2 40.5 117.0 !n1
+CN4 NN3I CN5 90.0 108.4 !n3
+! base to methyl connection
+CN1T NN2B CN9 70.0 116.0 !1-M-T/U, adm jr.
+CN3 NN2B CN9 70.0 122.0 !1-M-T/U, adm jr. 7/24/91
+CN1 NN2 CN9 70.0 115.4 !1-M-C, adm jr.
+CN3 NN2 CN9 70.0 120.5 !1-M-C, adm jr. 7/24/91
+CN5 NN2 CN9 70.0 125.9 !9-M-A, adm jr.
+CN4 NN2 CN9 70.0 127.8 !9-M-A, adm jr.
+CN5 NN2B CN9 70.0 125.9 !9-M-G, adm jr.
+CN4 NN2B CN9 70.0 126.9 !9-M-G, adm jr.
+CN5 NN2B CN8 70.0 125.9 !9-E-G, adm jr.
+CN4 NN2B CN8 70.0 126.9 !9-E-G, adm jr.
+NN2B CN8 CN9 70.0 113.7 !9-E-G, adm jr.
+!===== For glycosydic linkage, base to c1'
+CN1T NN2B CN7B 45.0 118.4 !U/T, FC from A
+CN3 NN2B CN7B 45.0 119.6 !U/T
+CN1 NN2 CN7B 45.0 120.0 !C, FC from A
+CN3 NN2 CN7B 45.0 115.9 !C
+CN5 NN2 CN7B 45.0 126.1 !A
+CN4 NN2 CN7B 45.0 127.6 !A
+CN5 NN2B CN7B 45.0 126.5 !G
+CN4 NN2B CN7B 45.0 126.3 !G
+ON6 CN7B NN2 110.0 108.0 !C/A DNA
+ON6B CN7B NN2 110.0 112.0 !C/A RNA
+CN8 CN7B NN2 110.0 113.7 !C/A
+CN7 CN7B NN2 110.0 111.0 !C/A, RNA, 25P1
+CN7B CN7B NN2 110.0 111.0 !C/A, RNA
+CN7C CN7B NN2 110.0 111.0 !C/A, Arabinose (NF)
+ON6 CN7B NN2B 110.0 108.0 !T/U/G (DNA) FC from A
+ON6B CN7B NN2B 110.0 112.0 !T/U/G (RNA) FC from A
+CN8 CN7B NN2B 110.0 113.7 !T/U/G
+CN7 CN7B NN2B 110.0 111.0 !T/U/G, RNA, 25P1
+CN7B CN7B NN2B 110.0 111.0 !T/U/G, RNA
+CN7C CN7B NN2B 110.0 111.0 !T/U/G, Arabinose (NF)
+HN7 CN7B NN2 43.0 111.0 !
+HN7 CN7B NN2B 43.0 111.0 !From HN7 CN7B NN2
+!===== End of glycosydic linkage
+! remaining terms ordered based on central atom
+CN3 CN1A NN1 85.0 113.0 80.0 2.46 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN1A ON1 85.0 118.5 20.0 2.43 !nad/ppi, jjp1/adm jr. 7/95
+NN1 CN1A ON1 85.0 128.5 20.0 2.17 !nad/ppi, jjp1/adm jr. 7/95
+CN3D CN2 NN1 110.0 116.4 !5mc, adm jr. 9/9/93
+CN3D CN2 NN3 30.0 121.3 !5mc, adm jr. 9/9/93
+CN1A CN3 CN3C 5.0 107.8 !nad/ppi, jjp1/adm jr. 7/95
+CN1A CN3 CN8 125.0 124.2 !nadh/ppi, jjp1/adm jr. 7/95
+CN2 CN3D CN3 100.0 117.8 !5mc, adm jr. 9/9/93
+CN2 CN3D CN9 40.0 118.0 !5mc, adm jr. 9/9/93
+CN3A CN3 CN1A 40.0 110.2 !nad/ppi, jjp1/adm jr. 7/95
+CN3B CN3 CN1A 10.0 131.8 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN3A CN3 50.0 118.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3A CN3 CN3B 40.0 118.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN3 CN8 53.5 108.5 !nadh/ppi, jjp1/adm jr. 7/95
+CN3B CN3 CN8 53.5 108.5 !nad/ppi, jjp1/adm jr. 7/95
+CN3C CN3 CN8 43.5 128.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN3D CN9 40.0 124.2 !5mc, adm jr. 9/9/93
+CN3D CN3 HN3 30.0 122.0 !5mc, adm jr. 9/9/93
+CN3B CN3 HN3B 30.0 122.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3A CN3 HN3B 30.0 119.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN3C HN3 42.0 119.0 !nadh/ppi, jjp1/adm jr. 7/95
+CN3C CN3 HN3 42.0 116.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN3A HN3B 80.0 121.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN3B HN3B 80.0 120.5 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN3B NN2 120.0 122.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN3C NN2 60.0 122.0 !nadh/ppi, jjp1/adm jr. 7/95
+CN3D CN3 NN2 100.0 124.2 !5mc, adm jr. 9/9/93
+CN8 CN3 HN3 30.0 116.0 !nadh/ppi, jjp1/adm jr. 7/95
+HN3B CN3B NN2 80.0 117.5 !nad/ppi, jjp1/adm jr. 7/95
+HN3 CN3C NN2 42.0 119.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN8 CN3 125.0 108.0 !nadh/ppi, jjp1/adm jr. 7/95
+CN3 CN8 HN8 55.0 110.10 !nadh/ppi, jjp1/adm jr. 7/95
+CN9 CN8 HN8 34.6 110.10 22.53 2.179 ! Alkanes, sacred
+CN9 CN7 HN7 34.6 110.10 22.53 2.179 ! Alkanes, sacred
+HN8 CN8 NN2 33.43 110.1 !FOR 9-M-ADE(THY), ADM
+HN8 CN8 ON5 45.9 108.89 !RIBOSE, Adm Jr. MeOH
+CN3 CN9 HN9 33.43 110.10 22.53 2.179 ! Alkanes, sacred
+CN3T CN9 HN9 33.43 110.10 22.53 2.179 ! Alkanes, sacred
+CN3D CN9 HN9 33.43 110.10 22.53 2.179 ! Alkanes, sacred
+CN8 CN9 HN9 34.60 110.10 22.53 2.179 ! Alkanes, sacred
+HN9 CN9 CN7 33.43 110.1 22.53 2.179 ! Alkanes, sacred
+HN9 CN9 NN2 33.43 110.1 !FOR 9-M-A(T), adm jr.
+HN9 CN9 NN2B 33.43 110.1 !FOR 9-M-G(C), adm jr.
+HN8 CN8 NN2B 33.43 110.1 !FOR 9-E-G, adm jr.
+HN9 CN9 ON2 60.0 109.5 !DMP, ADM Jr.
+CN1A NN1 HN1 35.0 120.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3B NN2 CN3B 30.0 120.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3C NN2 CN3C 20.0 114.0 !nadh/ppi, jjp1/adm jr. 7/95
+CN3B NN2 CN7B 70.0 121.7 !nad/ppi, jjp1/adm jr. 7/95
+CN3C NN2 CN7B 70.0 121.7 !nad/ppi, jjp1/adm jr. 7/95
+CN3B NN2 HN2 32.0 117.4 !nad/ppi, jjp1/adm jr. 7/95
+CN3C NN2 HN2 39.0 123.0 !nad/ppi, jjp1/adm jr. 7/95
+HN1 NN5 HN1 39.0 106.0 ! sugar model, adm jr.
+CN9 ON2 P 20.0 120.0 35. 2.33 !DMP, ADM Jr.
+CN9 ON2 P2 20.0 120.0 35. 2.33 !nad/ppi, jjp1/adm jr. 7/95
+P ON2 P 15.0 140.0 -40.0 2.80 !nad/ppi, jjp1/adm jr. 7/95
+P2 ON2 P 15.0 140.0 -40.0 2.80 !nad/ppi, jjp1/adm jr. 7/95
+P3 ON2 P 45.0 140.0 40.0 3.15 !PPI2, from nad/ppi, adm jr., 7/01
+P2 ON2 P2 15.0 140.0 -40.0 2.80 !nad/ppi, jjp1/adm jr. 7/95
+HN4 ON4 P 30.0 115.0 40.0 2.35 !MP_1, ADM Jr.
+HN4 ON4 P3 30.0 120.0 40.0 2.35 !PPI2, from MP_1, adm jr., 7/01
+HN5 ON5 CN8 57.5 106.0 !RIBOSE, Adm Jr. MeOH
+HN5 ON5 CN9 57.5 106.0 !RIBOSE, Adm Jr. MeOH
+ON2 P ON2 80.0 104.3 !DMP, ADM Jr.
+ON2 P ON4 48.1 108.0 !MP_1, ADM Jr.
+ON2 P3 ON4 48.1 100.0 !PPI2, from MP_1, adm jr., 7/01
+ON3 P ON4 98.9 108.23 !MP_1, ADM Jr.
+ON3 P3 ON4 98.9 108.23 !PPI2, from MP_1, adm jr., 7/01
+ON4 P ON4 98.9 104.0 !MP_0, ADM Jr.
+ON2 P2 ON2 80.0 104.3 !nad/ppi, jjp1/adm jr. 7/95
+ON2 P2 ON3 88.9 111.6 !nad/ppi, jjp1/adm jr. 7/95
+ON2 P3 ON3 88.9 105.0 !PPI2, from nad/ppi, adm jr., 7/01
+ON3 P2 ON3 104.0 120.0 !nad/ppi, jjp1/adm jr. 7/95
+ON3 P3 ON3 104.0 120.0 !PPI2, from nad/ppi, adm jr., 7/01
+CN7 CN8 ON5 75.7 110.10 !RIBOSE, adm jr. MeOH
+HN9 CN9 HN9 35.500 108.40 5.40 1.802 !alkane update, adm jr. 3/2/92
+!@@@@@@@@@ Beginning of endocyclic valence angles for regular DNA @@@@@@@
+CN7 ON6 CN7B 110.0 108.0 ! NF, 11/97, C4'O4'C1'
+ON6 CN7B CN8 90.0 102.0 ! NF, 11/97, C4'O4'C1'
+CN7B CN8 CN7 80.00 100.0 ! NF, 11/97, C1'C2'C3'
+CN8 CN7 CN7 60.00 102.0 8.0 2.561 !NF, 11/97, C2'C3'C4'
+CN9 CN7 CN7 60.00 102.0 8.0 2.561 !for 5MET, adm jr.
+CN7 CN7 ON6 100.0 104.0 ! NF, 11/97, C3'C4'O4'
+CN8 CN7 ON6 100.0 104.0 ! NF, 11/97, C3'C4'O4', 25P1
+HN7 CN7 ON6 45.2 107.24 !
+HN7 CN7B ON6 45.2 107.24 !
+HN7 CN7 CN7 40.0 108.00 !
+CN7B CN8 HN8 33.4 110.10 22.53 2.179 ! following terms directly
+CN8 CN7B HN7 33.4 110.10 22.53 2.179 ! from alkanes
+HN7 CN7 CN8 34.5 110.1 22.53 2.179 !
+HN8 CN8 CN7 34.53 110.10 22.53 2.179 !
+HN8 CN8 CN8 34.53 110.10 22.53 2.179 !
+HN8 CN8 HN8 35.5 109.00 5.40 1.802 !
+HN7 CN7 HN7 35.5 109.00 5.40 1.802 !
+!@@@@@@@@@ End of endocyclic valence angles for regular DNA @@@@@@@
+
+!@@@@@@@@@ Beginning of endocyclic valence angles for regular RNA @@@@@@@
+CN7 ON6B CN7B 110.0 115.0 ! From CN7 ON6 CN7B
+CN7 CN7 ON6B 100.0 110.0 ! From CN7 CN7 ON6
+CN8 CN7 ON6B 100.0 110.0 ! From CN7 CN7 ON6, 25P1
+ON6B CN7B CN7B 90.0 106.0 ! 030998
+CN7B CN7B CN7 110.0 96.0 !
+CN7B CN7B CN8 110.0 96.0 ! 25P1
+CN7B CN7 CN7 60.0 100.0 8.00 2.561 !NF, 11/97, C2'C3'C4'
+!CN7 CN8 CN7 60.0 100.0 8.00 2.561 !NF, 11/97, C2'C3'C4', 25P1
+HN7 CN7 ON6B 45.2 107.24 !
+HN7 CN7B ON6B 45.2 107.24 !
+CN7B CN7B HN7 33.4 110.10 22.53 2.179 ! following terms directly
+HN7 CN7B HN7 35.5 109.00 5.40 1.802 !
+!@@@@@@@@@ End of endocyclic valence angles for regular RNA @@@@@@@
+
+!@@@@@@@@@ Beginning of endocyclic valence angles for arabinose @@@@@@@
+ON6 CN7B CN7C 90.0 102.0 ! NF, 11/97, C4'O4'C1'
+CN7B CN7C CN7 80.00 100.0 ! NF, 11/97, C1'C2'C3'
+CN7C CN7 CN7 60.00 102.0 8.00 2.561 !NF, 11/97, C2'C3'C4'
+CN7B CN7C HN7 33.4 110.10 22.53 2.179 ! following terms directly
+CN7C CN7B HN7 33.4 110.10 22.53 2.179 ! from alkanes
+HN7 CN7 CN7C 34.5 110.1 22.53 2.179 !
+HN7 CN7C CN7 34.53 110.10 22.53 2.179 !
+HN7 CN7C HN7 35.5 109.00 5.40 1.802 !
+!@@@@@@@@@ End of endocyclic valence angles for arabinose @@@@@@@
+
+!@@@@@@@@@ Beginning of exocyclic valence angles for regular DNA @@@@@@@
+ON6 CN7 CN8B 90.0 108.2 !NF, 11/97, O4'C4'C5'
+ON6 CN7 CN9 90.0 108.2 !for 5MET, adm jr.
+CN7 CN7 CN8B 45.0 110.0 !NF, 11/97, C3'C4'C5'
+CN8 CN7 CN8B 58.35 113.60 11.16 2.561 ! from alkane, 25P1
+CN7 CN8B ON2 70.0 108.4 !NF, 11/97, C4'C5'O5'
+CN7 CN7 ON2 115.0 109.7 !NF, 11/97, C4'C3'O3'
+CN7 CN7B ON2 115.0 109.7 !NF, 11/97, C4'C3'O3' for NADPH
+CN7B CN7B ON2 115.0 109.7 !NF, 11/97, C4'C3'O3' for NADPH
+CN8 CN7B ON2 115.0 109.7 !NF, 11/97, C4'C3'O3', 25P1
+CN8 CN7 ON2 115.0 109.7 !NF, 11/97, C2'C3'O3'
+CN8B ON2 P 20.0 120.0 35.00 2.33 !NF, 11/97, C5'O5'P
+CN7 ON2 P 20.0 120.0 35.00 2.33 !NF, 11/97, C3'O3'P
+CN7B ON2 P 20.0 120.0 35.00 2.33 !NF, 11/97, C3'O3'P, for NADPH
+! sugar
+HN7 CN7 CN8B 34.5 110.1 22.53 2.179 ! From HN7 CN7 CN8
+HN8 CN8B ON2 60.0 109.5 ! From HN7 CN8 ON2
+HN5 ON5 CN8B 57.5 106.0 ! From HN5 ON5 CN8
+HN8 CN8B HN8 35.5 109.0 5.40 1.802 ! Alkanes, sacred
+HN8 CN8B CN7 34.53 110.1 22.53 2.179 ! Alkanes, sacred
+HN7 CN7 ON2 60.0 109.5 !DMP, adm jr. from HN7 CN8 ON2
+HN7 CN7B ON2 60.0 109.5 !DMP, adm jr. from HN7 CN8 ON2, for NADPH
+!===== For 5ter patch:
+CN7 CN8B ON5 75.7 110.10 ! From CN7 CN8B ON5
+CN8B CN7 ON5 90.0 108.2 ! phosphoramidate, carbocyclic
+HN8 CN8B ON5 45.9 108.89 ! From HN7 CN8 ON5
+!===== For 3ter patch:
+ON5 CN7 CN8 75.7 110.0 ! from CHARMM22
+ON5 CN7 CN7 75.7 110.1 !
+HN7 CN7 ON5 60.0 109.5 !
+HN5 ON5 CN7 57.5 109.0 !
+!@@@@@@@@@ End of exocyclic valence angles for regular DNA @@@@@@@
+
+!@@@@@@@@@ Beginning of exocyclic valence angles for regular RNA @@@@@@@
+!O4'-C4'-C5'
+ON6B CN7 CN8B 90.0 108.2 !
+ON6B CN7 CN9 90.0 108.2 ! for 5MET patch, adm jr.
+!O3'-C3'-C2'
+ON2 CN7 CN7B 90.0 110.0 !
+ON5 CN7 CN7B 90.0 110.0 ! From ON5 CN7 CN8
+!O2'-C2'-C1'
+ON5 CN7B CN7B 80.0 108.4 !
+!O2'-C2'-C3'
+ON5 CN7B CN7 90.0 108.0 !
+HN7 CN7B ON5 60.0 109.5 !
+HN5 ON5 CN7B 57.5 109.0 !
+HN7 CN7B CN7 34.53 110.10 22.53 2.179
+HN7 CN7 CN7B 34.53 110.10 22.53 2.179
+
+!@@@@@@@@@ End of exocyclic valence angles for regular RNA @@@@@@@
+
+CN7C CN7 ON2 115.0 109.7 !NF, 11/97, C2'C3'O3'
+!===== For 3ter patch:
+!From DNA:
+ON5 CN7 CN7C 75.7 110.0 ! from CHARMM22
+!From RNA:
+ON5 CN7C CN7B 80.0 108.4 ! From ON5 CN7B CN7B
+!O2'-C2'-C3'
+ON5 CN7C CN7 90.0 108.0 ! From ON5 CN7B CN7
+HN7 CN7C ON5 60.0 109.5 !
+HN5 ON5 CN7C 57.5 109.0 ! 032598
+
+!@@@@@@@@@ Beginning of exocyclic valence angles for arabinose @@@@@@@
+!@@@@@@@@@ End of exocyclic valence angles for arabinose @@@@@@@
+
+!@@@@@@@@@ Beginning of angles for the nucleotide analogue @@@@@@@
+CN8 ON2 P 20.0 120.0 35. 2.33 !DMP, adm jr.
+!@@@@@@@@@ End of angles for the nucleotide analogue @@@@@@@
+ON2 P ON3 98.9 111.6 !DMP, adm jr.
+ON3 P ON3 120.0 120.0 !DMP, adm jr.
+HN8 CN8 ON2 60.0 109.5 !DMP, adm jr.
+ON5 P ON3 98.9 111.6 ! From ON2 P ON3
+!-- For imidazole, from imidazole alone:
+!-- and for link between sugar and imidazole
+ON6 CN7B NR1 140.0 108.00 ! k guessed, theta from ribo./desox. xtal (NF)
+ON6B CN7B NR1 140.0 108.00 ! RNUS
+CN8 CN7B NR1 140.0 113.70 ! k guessed, theta from ribo./desox. xtal (NF)
+CN7B CN7B NR1 140.0 113.70 ! RNUS
+CN7B NR1 CPH2 130.0 127.00 ! k guessed, theta from A/G xtal (NF)
+CN7B NR1 CPH1 130.0 126.00 ! k guessed, theta from A/G xtal (NF)
+HN7 CN7B NR1 30.0 106.3 ! k guessed, theta from ai (NF)
+CPH2 NR1 CPH1 130.0 107.0000 ! From imidazole (NF), modified for 360 deg. condition
+CPH2 NR2 CPH1 130.0 104.0000 ! From imidazole (NF)
+NR1 CPH1 CPH1 130.0 106.0000 ! From imidazole (NF)
+NR1 CPH2 NR2 130.0 112.5000 ! From imidazole
+NR2 CPH1 CPH1 130.0 110.0000 ! From imidazole (NF)
+NR1 CPH2 HR1 25.0 122.50 20.00 2.14000 ! From imidazole (NF)
+NR2 CPH2 HR1 25.0 125.00 20.00 2.12000 ! From imidazole (NF)
+HR3 CPH1 CPH1 25.0 130.00 20.00 2.20000 ! From imidazole (NF)
+NR1 CPH1 HR3 25.0 124.00 20.00 2.14000 ! From imidazole (NF)
+NR2 CPH1 HR3 25.0 120.00 20.00 2.14000 ! From imidazole (NF)
+!------------------------ For water -------------------
+HT OT HT 55.0 104.52 ! FROM TIPS3P GEOMETRY
+!------------------------ added for arao -----------------------
+!------------------------ added for araim ----------------------
+ON6 CN7B CN7 120.0 106.25 !
+CN7B CN7 CN8 58.35 113.6 11.16 2.561 !
+
+DIHEDRALS
+!
+!V(dihedral) = Kchi(1 + cos(n(chi) - delta))
+!
+!Kchi: kcal/mole
+!n: multiplicity
+!delta: degrees
+!
+!atom types Kchi n delta
+!
+!2-(aminobutyl)-1,3-propandiol terms
+X CN8 ON2 X -0.10 3 0.0 ! phosphate ester
+X CN7 CN8 X 0.20 3 0.0 ! alkane
+X CN8 NN6 X 0.10 3 0.0 ! methylammonium
+!abasic nucleoside terms - susil
+CN7 ON6 CN8B HN8 0.195 1 0.0
+ON6 CN8B CN8 HN8 0.195 1 0.0
+HN7 CN7 ON6 CN8B 0.195 3 0.0
+CN8B CN8 CN7 HN7 0.195 3 0.0
+HN8 CN8B CN8 HN8 0.195 3 0.0
+HN8 CN8B CN8 CN7 0.195 3 0.0
+! c5'-c4'-o4'-c1', exo
+CN8B CN7 ON6 CN8B 0.5 5 0.0 ! min at 150 310 max at 25 200
+CN8B CN7 ON6 CN8B 0.1 3 180.0
+CN8B CN7 ON6 CN8B 0.5 1 0.0
+! c1'-c2'-c3'-o3', exo
+CN8B CN8 CN7 ON5 0.4 5 0.0
+CN8B CN8 CN7 ON5 0.4 3 0.0
+CN8B CN8 CN7 ON5 0.7 2 0.0 !elevates energy at 0 (c3'endo), adm
+CN8B CN8 CN7 ON5 0.5 1 180.0 !elevates energy at 0 (c3'endo), adm
+CN8B CN8 CN7 ON2 0.4 5 0.0 !terms for oligonuclotide
+CN8B CN8 CN7 ON2 0.4 3 0.0
+CN8B CN8 CN7 ON2 0.7 2 0.0
+CN8B CN8 CN7 ON2 0.5 1 180.0
+! c4'-o4'-c1'-c2', tau0
+CN7 ON6 CN8B CN8 0.6 6 180.0
+CN7 ON6 CN8B CN8 0.6 3 0.0
+! o4'-c1'-c2'-c3', tau1
+ON6 CN8B CN8 CN7 0.7 5 180.0 !lowers 90, shifts c2endo minimum towards 200
+ON6 CN8B CN8 CN7 0.4 4 0.0 !lowers 90, shifts c2endo minimum towards 200
+ON6 CN8B CN8 CN7 0.4 3 180.0 !lowers 90, shifts c2endo minimum towards 200
+! c4'-c3'-c2'-c1', tau2
+CN7 CN7 CN8 CN8B 0.5 4 0.0
+CN7 CN7 CN8 CN8B 0.1 3 0.0 !lowers energy in 150 to 250 range
+! c1'-o4'-c4'-c3', tau4
+CN8B ON6 CN7 CN7 0.5 3 0.0 !effects surface in 200-360 region
+
+! PHOSPHATE
+ON2 P ON2 CN7 1.20 1 180.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN7 0.10 2 180.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN7 0.10 3 180.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN7 0.00 6 0.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN7B 1.20 1 180.0 !10/97, DMP, adm jr., 25P1
+ON2 P ON2 CN7B 0.10 2 180.0 !10/97, DMP, adm jr., 25P1
+ON2 P ON2 CN7B 0.10 3 180.0 !10/97, DMP, adm jr., 25P1
+ON2 P ON2 CN7B 0.00 6 0.0 !10/97, DMP, adm jr., 25P1
+ON2 P ON2 CN8 1.20 1 180.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN8 0.10 2 180.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN8 0.10 3 180.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN8 0.00 6 0.0 !10/97, DMP, adm jr.
+! Added when C5' defined as CN8B (NF 041497):
+ON2 P ON2 CN8B 1.20 1 180.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN8B 0.10 2 180.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN8B 0.10 3 180.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN8B 0.00 6 0.0 !10/97, DMP, adm jr.
+ON2 P ON2 CN9 1.20 1 180.0 !dmp
+ON2 P ON2 CN9 0.10 2 180.0 !dmp
+ON2 P ON2 CN9 0.10 3 180.0 !dmp
+ON2 P ON2 CN9 0.00 6 0.0 !dmp
+!
+ON3 P ON2 CN7 0.10 3 0.0 !dmp,eps, O1P-P-O3'-C3'
+ON3 P ON2 CN7B 0.10 3 0.0 !for NADPH
+ON3 P ON2 CN8 0.10 3 0.0 !dmp
+ON3 P ON2 CN8B 0.10 3 0.0 !dmp,bet, O1P-P-O5'-C5'
+ON3 P ON2 CN9 0.10 3 0.0 !dmp
+! terminal phosphate terms, adm jr.
+ON4 P ON2 CN7 0.95 2 0.0 !MP_1, adm jr.
+ON4 P ON2 CN7 0.50 3 0.0 !MP_1, adm jr.
+ON4 P ON2 CN7B 0.95 2 0.0 !for NADPH
+ON4 P ON2 CN7B 0.50 3 0.0 !for NADPH
+ON4 P ON2 CN8 0.95 2 0.0 !MP_1, adm jr.
+ON4 P ON2 CN8 0.50 3 0.0 !MP_1, adm jr.
+ON4 P ON2 CN8B 0.95 2 0.0 !MP_1, adm jr.
+ON4 P ON2 CN8B 0.50 3 0.0 !MP_1, adm jr.
+ON4 P ON2 CN9 0.95 2 0.0 !MP_1, adm jr.
+ON4 P ON2 CN9 0.50 3 0.0 !MP_1, adm jr.
+X ON4 P X 0.30 3 0.0 !MP_1, adm jr.
+! When O5' is ON2 (phosphodiester linkage):
+P ON2 CN7 HN7 0.000 3 0.0 !dmp,eps, H-C3'-O3'-P
+P ON2 CN7B HN7 0.000 3 0.0 !for NADPH
+P ON2 CN8B HN8 0.000 3 0.0 !dmp,beta, H-C5'-O5'-P
+P ON2 CN8 HN8 0.000 3 0.0 !dmp
+P ON2 CN9 HN9 0.000 3 0.0 !dmp
+! butane gauche terms
+cn9 cn8 cn8 cn9 0.15 1 0.0
+cn9 cn8 cn8 cn8 0.15 1 0.0
+! BASES
+! Uracil
+NN2B CN1T NN2U CN1 1.5 2 180.0 ! adm jr. 11/97
+CN1T NN2U CN1 CN3 1.5 2 180.0 ! adm jr. 11/97
+NN2U CN1 CN3 CN3 1.5 2 180.0 ! adm jr. 11/97
+CN1 CN3 CN3 NN2B 6.0 2 180.0 ! adm jr. 11/97
+CN3 CN3 NN2B CN1T 1.5 2 180.0 ! adm jr. 11/97
+CN3 NN2B CN1T NN2U 1.5 2 180.0 ! adm jr. 11/97
+HN3 CN3 CN3 HN3 3.0 2 180.0 ! adm jr. 11/97
+HN3 CN3 CN1 ON1 6.0 2 180.0 ! adm jr. 11/97
+ON1 CN1T NN2B HN2 0.0 2 180.0 ! adm jr. 11/97
+ON1 CN1 NN2U HN2 0.0 2 180.0 ! adm jr. 11/97
+ON1 CN1T NN2U HN2 0.0 2 180.0 ! adm jr. 11/97
+HN2 NN2B CN3 HN3 1.5 2 180.0 ! adm jr. 11/97
+NN2B CN1T NN2U HN2 3.8 2 180.0 ! adm jr. 11/97
+CN3 CN1 NN2U HN2 3.8 2 180.0 ! adm jr. 11/97
+CN3 CN3 NN2B HN2 1.6 2 180.0 ! adm jr. 11/97
+NN2U CN1T NN2B HN2 1.6 2 180.0 ! adm jr. 11/97
+!Thymine
+CN1T NN2B CN3 CN3T 1.8 2 180.0 ! adm jr. 11/97
+NN2U CN1 CN3T CN3 1.8 2 180.0 ! adm jr. 11/97
+CN1 CN3T CN3 NN2B 3.0 2 180.0 ! adm jr. 11/97
+NN2B CN1 CN3T CN9 5.6 2 180.0 ! adm jr. 11/97
+NN2B CN3 CN3T CN9 5.6 2 180.0 ! adm jr. 11/97
+CN1 CN3T CN9 HN9 0.46 3 0.0 ! adm jr. 11/97
+CN3 CN3T CN9 HN9 0.46 3 0.0 ! adm jr. 11/97
+CN3T CN1 NN2U HN2 4.8 2 180.0 ! adm jr. 11/97
+! Cytosine
+CN3 NN2 CN1 NN3 0.6 2 180.0 ! adm jr. 11/97
+NN2 CN1 NN3 CN2 0.6 2 180.0 ! adm jr. 11/97
+CN1 NN3 CN2 CN3 6.0 2 180.0 ! adm jr. 11/97
+NN3 CN2 CN3 CN3 0.6 2 180.0 ! adm jr. 11/97
+CN2 CN3 CN3 NN2 6.0 2 180.0 ! adm jr. 11/97
+CN3 CN3 NN2 CN1 0.6 2 180.0 ! adm jr. 11/97
+NN3 CN2 NN1 HN1 1.0 2 180.0 ! adm jr. 11/97
+CN3 CN2 NN1 HN1 1.0 2 180.0 ! adm jr. 11/97
+NN1 CN2 NN3 CN1 2.0 2 180.0 ! adm jr. 11/97
+NN1 CN2 CN3 CN3 2.0 2 180.0 ! adm jr. 11/97
+NN1 CN2 CN3 HN3 2.0 2 180.0 ! adm jr. 11/97
+ON1C CN1 NN2 HN2 3.0 2 180.0 ! adm jr. 11/97
+ON1C CN1 NN3 CN2 1.6 2 180.0 ! adm jr. 11/97
+ON1C CN1 NN2 CN3 1.6 2 180.0 ! adm jr. 11/97
+NN3 CN2 CN3 HN3 3.4 2 180.0 ! adm jr. 11/97
+NN2 CN3 CN3 HN3 3.4 2 180.0 ! adm jr. 11/97
+CN2 CN3 CN3 HN3 4.6 2 180.0 ! adm jr. 11/97
+CN1 NN2 CN3 HN3 4.6 2 180.0 ! adm jr. 11/97
+X CN2 NN3 X 2.0 2 180.0 ! adm jr. 11/97
+! 5-methylcytosine
+NN2 CN3 CN3D CN2 3.0 2 180.0 !5mc, adm jr. 9/9/93
+CN3 CN3D CN2 NN3 1.0 2 180.0 !5mc, adm jr. 9/9/93
+CN3D CN2 NN3 CN1 10.0 2 180.0 !5mc, adm jr. 9/9/93
+CN3D CN3 NN2 CN1 1.0 2 180.0 !5mc, adm jr. 9/9/93
+CN3D CN2 NN1 HN1 2.0 2 180.0 !5mc, adm jr. 9/9/93
+NN1 CN2 CN3D CN3 0.0 2 180.0 !5mc, adm jr. 9/9/93
+NN1 CN2 CN3D CN9 0.0 2 180.0 !5mc, adm jr. 9/9/93
+NN2 CN3 CN3D CN9 4.0 2 180.0 !5mc, adm jr. 9/9/93
+NN3 CN2 CN3D CN9 0.0 2 180.0 !5mc, adm jr. 9/9/93
+CN3 CN3D CN9 HN9 0.0 3 0.0 !5mc, adm jr. 9/9/93
+CN2 CN3D CN9 HN9 0.35 3 0.0 !5mc, adm jr. 9/9/93
+CN2 CN3D CN3 HN3 4.0 2 180.0 !5mc, adm jr. 9/9/93
+CN9 CN3D CN3 HN3 4.0 2 180.0 !5mc, adm jr. 9/9/93
+! Adenine
+CN2 NN3A CN4 NN3A 1.8 2 180.0 ! adm jr. 11/97, 6-mem
+NN3A CN4 NN3A CN5 2.0 2 180.0 !
+CN4 NN3A CN5 CN5 1.8 2 180.0 !
+NN3A CN5 CN5 CN2 2.0 2 180.0 ! treated 2x
+CN5 CN5 CN2 NN3A 1.8 2 180.0 !
+CN5 CN2 NN3A CN4 10.0 2 180.0 !
+CN5 CN5 NN4 CN4 6.0 2 180.0 ! 5-mem
+CN5 NN4 CN4 NN2 14.0 2 180.0 !
+NN4 CN4 NN2 CN5 6.0 2 180.0 !
+CN4 NN2 CN5 CN5 6.0 2 180.0 !
+NN2 CN5 CN5 NN4 14.0 2 180.0 ! treated 2x
+CN2 NN3A CN4 HN3 8.5 2 180.0 ! H2
+CN5 NN3A CN4 HN3 8.5 2 180.0 ! H2
+CN5 NN4 CN4 HN3 5.2 2 180.0 ! H8
+CN5 NN2 CN4 HN3 5.2 2 180.0 ! H8
+CN5 CN5 NN2 HN2 1.2 2 180.0 ! H9
+NN4 CN4 NN2 HN2 1.2 2 180.0 ! H9
+HN2 NN2 CN4 HN3 0.0 2 180.0 ! H8-C-N-H9
+CN4 NN3A CN2 NN1 4.0 2 180.0 ! N6
+CN5 CN5 CN2 NN1 4.0 2 180.0 ! N6
+NN4 CN5 CN2 NN1 0.0 2 180.0 ! N6
+CN5 CN2 NN1 HN1 0.5 2 180.0 ! 6-NH2
+NN3A CN2 NN1 HN1 0.5 2 180.0 !
+! Butterfly motion
+NN3A CN5 CN5 NN4 7.0 2 180.0 !A, adm jr. 11/97
+CN2 CN5 CN5 NN2 7.0 2 180.0 !A
+NN3A CN2 CN5 NN4 2.0 2 180.0 !A
+CN2 CN5 NN4 CN4 2.0 2 180.0 !A
+CN4 NN3A CN5 NN2 2.0 2 180.0 !A
+NN3A CN5 NN2 CN4 2.0 2 180.0 !A
+! Guanine
+CN1 NN2G CN2 NN3G 0.2 2 180.0 !adm jr. 11/97, 6-mem
+NN2G CN2 NN3G CN5 2.0 2 180.0 !
+CN2 NN3G CN5 CN5G 0.2 2 180.0 !
+NN3G CN5 CN5G CN1 2.0 2 180.0 !
+CN5 CN5G CN1 NN2G 0.2 2 180.0 !
+CN5G CN1 NN2G CN2 0.2 2 180.0 !
+CN5 CN5G NN4 CN4 6.0 2 180.0 !5-mem
+CN5G NN4 CN4 NN2B 16.0 2 180.0 !
+NN4 CN4 NN2B CN5 6.0 2 180.0 !
+CN4 NN2B CN5 CN5G 6.0 2 180.0 !
+NN2B CN5 CN5G NN4 10.0 2 180.0 !
+! substitutents
+ON1 CN1 CN5G CN5 14.0 2 180.0 !G, O6
+ON1 CN1 CN5G NN4 0.0 2 180.0 !
+ON1 CN1 NN2G CN2 14.0 2 180.0 !
+ON1 CN1 NN2G HN2 0.0 2 180.0 !
+NN1 CN2 NN2G CN1 4.0 2 180.0 !G, N2
+NN1 CN2 NN3G CN5 4.0 2 180.0 !
+NN1 CN2 NN2G HN2 0.0 2 180.0 !
+NN2G CN2 NN1 HN1 1.2 2 180.0 !
+NN3G CN2 NN1 HN1 1.2 2 180.0 !
+HN2 NN2G CN1 CN5G 3.6 2 180.0 !G, H1
+HN2 NN2G CN2 NN3G 3.6 2 180.0 !
+HN3 CN4 NN4 CN5G 5.6 2 180.0 !G, H8
+HN3 CN4 NN2B CN5 5.6 2 180.0 !
+HN3 CN4 NN2B HN2 0.0 2 180.0 !
+HN2 NN2B CN5 CN5G 1.2 2 180.0 !G, H9
+HN2 NN2B CN5 NN3G 1.2 2 180.0 !
+HN2 NN2B CN4 NN4 1.2 2 180.0 !
+! Butterfly motion
+NN3G CN5 CN5G NN4 10.0 2 180.0 !adm jr. 11/97
+CN1 CN5G CN5 NN2 10.0 2 180.0 !
+NN2G CN1 CN5G NN4 2.0 2 180.0 !
+CN1 CN5G NN4 CN4 2.0 2 180.0 !
+CN2 NN3G CN5 NN2B 2.0 2 180.0 !
+NN3G CN5 NN2B CN4 2.0 2 180.0 !
+! inosine, adm jr. 2/94
+CN5 CN5 NN3I CN4 6.0 2 180.0
+NN2G CN4 NN3I CN5 6.0 2 180.0
+NN3I CN4 NN2G HN2 1.5 2 180.0
+NN3I CN4 NN2G CN1 1.5 2 180.0
+HN3 CN4 NN2G HN2 1.5 2 180.0
+HN3 CN4 NN2G CN1 1.5 2 180.0
+! Wild cards for inosine
+X CN4 NN3I X 3.5 2 180.0
+X CN5 NN3I X 1.0 2 180.0
+! Wild cards for uracil, thymine and cytosine
+X CN1 NN3 X 1.0 2 180.0 ! c22
+X CN1 NN2 X 0.9 2 180.0 ! c22
+X CN1T NN2B X 0.9 2 180.0 ! From X CN1 NN2 X, for thymines
+X CN1 NN2G X 0.9 2 180.0 ! c22
+X CN1 NN2U X 0.9 2 180.0 ! c22
+X CN1T NN2U X 0.9 2 180.0 ! c22
+X CN3 NN2 X 1.0 2 180.0 ! c22
+X CN3 NN2B X 1.0 2 180.0 ! From X CN3 NN2 X, for thymines
+X CN3 CN3 X 1.0 2 180.0 ! c22
+X CN3 CN3T X 1.0 2 180.0 !T, adm jr. 11/97
+X CN1 CN3 X 1.0 2 180.0 ! c22
+X CN1 CN3T X 1.0 2 180.0 !T, adm jr. 11/97
+X CN2 CN3 X 0.8 2 180.0 ! c22
+! Wild cards for adenine and guanine
+X CN1 CN5G X 1.0 2 180.0 ! adm jr. 11/97
+X CN2 NN2G X 1.0 2 180.0 !
+X CN2 CN5 X 1.0 2 180.0 !
+X CN4 NN2 X 1.5 2 180.0 !
+X CN4 NN2B X 1.5 2 180.0 ! From X CN4 NN2 X
+X CN4 NN3A X 3.5 2 180.0 !
+X CN4 NN4 X 2.0 2 180.0 ! A,G
+X CN5 CN5 X 0.0 2 180.0 !
+X CN5G CN5 X 0.0 2 180.0 ! adm jr. 11/97
+X CN5 NN2 X 1.5 2 180.0 !
+X CN5 NN2B X 1.5 2 180.0 ! From X CN5 NN2 X
+X CN5 NN3A X 1.0 2 180.0 !
+X CN5 NN3G X 1.0 2 180.0 ! adm jr. 11/97
+X CN5 NN4 X 1.0 2 180.0 !
+X CN5G NN4 X 1.0 2 180.0 ! adm jr. 11/97
+X CN2 NN3A X 1.0 2 180.0 !
+X CN2 NN3G X 1.0 2 180.0 ! adm jr. 11/97
+! MISC.
+CN1 NN2 CN9 HN9 0.19 3 0.0 ! 1-M-C
+CN3 NN2 CN9 HN9 0.00 3 0.0 ! 1-M-C
+CN4 NN2 CN9 HN9 0.00 3 0.0 ! 9-M-A
+CN5 NN2 CN9 HN9 0.19 3 0.0 ! 9-M-A
+CN1 NN2B CN9 HN9 0.19 3 0.0 ! 1-M-U
+CN1T NN2B CN9 HN9 0.19 3 0.0 ! 1-M-T
+CN3 NN2B CN9 HN9 0.00 3 0.0 ! 1-M-T/U
+CN4 NN2B CN9 HN9 0.00 3 0.0 ! 9-M-G
+CN5 NN2B CN9 HN9 0.19 3 0.0 ! 9-M-G
+CN4 NN2B CN8 HN8 0.00 3 0.0 ! 9-E-G
+CN5 NN2B CN8 HN8 0.19 3 0.0 ! 9-E-G
+CN4 NN2B CN8 CN9 0.00 3 0.0 ! 9-E-G
+CN5 NN2B CN8 CN9 0.19 3 0.0 ! 9-E-G
+X CN8 CN8 X 0.15 3 0.0 ! Alkanes (0.2 to 0.15)
+X CN8 CN9 X 0.15 3 0.0 ! Alkanes (0.2 to 0.15)
+! nicotinamide adenine dinucleotide
+CN3 NN2 CN3B HN3B 7.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+HN2 NN2 CN3B HN3B 3.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+HN3B CN3 CN3A HN3B 2.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+HN3B CN3 CN3B HN3B 1.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+NN2 CN3B CN3 HN3B 7.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN1A CN3 HN3B 7.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN1A CN3 CN3B HN3B 1.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN1A CN3 CN3A HN3B 5.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN1A CN3 HN3 7.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN1A CN3 CN3 HN3 1.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3A CN3 CN1A ON1 2.38 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3B CN3 CN1A ON1 2.38 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3A CN3 CN1A NN1 0.35 1 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3A CN3 CN1A NN1 0.62 2 0.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3B CN3 CN1A NN1 0.35 1 0.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3B CN3 CN1A NN1 0.62 2 0.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN3A CN3 CN1A 3.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 CN3A CN3 CN3B 6.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+NN2 CN3B CN3 CN3A 7.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3B NN2 CN3B CN3 4.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+X CN3 CN3A X 1.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+X CN3 CN3B X 1.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+X CN3 CN8 X 1.0 3 180.0 !nad/ppi, jjp1/adm jr. 7/95
+X NN1 CN1A X 2.5 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+X NN2 CN3B X 1.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+! nicotinamide adenine dinucleotide hydride, nadh
+CN8 CN3 CN1A ON1 1.00 2 180.0 !nadh, jjp1,adm jr. 4/95
+CN8 CN3 CN1A ON1 1.00 3 0.0 !nadh, jjp1,adm jr. 4/95
+CN8 CN3 CN1A ON1 0.40 6 0.0 !nadh, jjp1,adm jr. 4/95
+CN8 CN3 CN1A NN1 0.50 2 180.0 !nadh, jjp1,adm jr. 4/95
+CN8 CN3 CN1A NN1 0.35 3 180.0 !nadh, jjp1,adm jr. 4/95
+CN8 CN3 CN1A NN1 0.40 6 0.0 !nadh, jjp1,adm jr. 4/95
+CN3C CN3 CN1A ON1 0.30 1 0.0 !nadh, jjp1,adm jr. 4/95
+CN3C CN3 CN1A ON1 1.95 2 180.0 !nadh, jjp1,adm jr. 4/95
+CN3C CN3 CN1A NN1 1.10 1 180.0 !nadh, jjp1,adm jr. 4/95
+CN3C CN3 CN1A NN1 1.95 2 180.0 !nadh, jjp1,adm jr. 4/95
+HN2 NN2 CN3C HN3 4.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3 NN2 CN3C HN3 7.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+NN2 CN3C CN3 HN3 7.0 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN8 CN3 CN3C NN2 0.1 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3C CN3 CN8 CN3 4.0 3 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN1A CN3 CN3C NN2 2.5 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+X CN3 CN3C X 0.1 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+X NN2 CN3C X 0.1 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+CN3C NN2 CN3C CN3 0.1 2 180.0 !nad/ppi, jjp1/adm jr. 7/95
+! pyrophosphate (ppi)
+P2 ON2 P ON2 0.03 2 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P2 ON2 P ON2 0.03 3 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P ON2 P2 ON2 0.03 2 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P ON2 P2 ON2 0.03 3 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P2 ON2 P2 ON2 0.03 2 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P2 ON2 P2 ON2 0.03 3 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P ON2 P ON2 0.03 2 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P ON2 P ON2 0.03 3 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P ON2 P ON3 0.10 2 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P ON2 P ON3 0.03 3 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P ON2 P2 ON3 0.10 2 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P ON2 P2 ON3 0.03 3 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P2 ON2 P ON3 0.10 2 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P2 ON2 P ON3 0.03 3 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P2 ON2 P2 ON3 0.10 2 0.0 !nad/ppi, jjp1/adm jr. 7/95
+P2 ON2 P2 ON3 0.03 3 0.0 !nad/ppi, jjp1/adm jr. 7/95
+! protonated pyrophosphate (ppi2)
+P ON2 P3 ON2 0.03 2 0.0 !from P ON2 P2 ON2, adm jr. 7/01
+P ON2 P3 ON2 0.03 3 0.0 !from P ON2 P2 ON2, adm jr. 7/01
+P3 ON2 P ON2 0.03 2 0.0 !from P ON2 P2 ON2, adm jr. 7/01
+P3 ON2 P ON2 0.03 3 0.0 !from P ON2 P2 ON2, adm jr. 7/01
+P ON2 P3 ON3 0.10 2 0.0 !from P ON2 P2 ON3, adm jr. 7/01
+P ON2 P3 ON3 0.03 3 0.0 !from P ON2 P2 ON3, adm jr. 7/01
+P3 ON2 P ON3 0.10 2 0.0 !from P ON2 P2 ON3, adm jr. 7/01
+P3 ON2 P ON3 0.03 3 0.0 !from P ON2 P2 ON3, adm jr. 7/01
+P ON2 P3 ON4 0.10 2 0.0 !from P ON2 P2 ON4, adm jr. 7/01
+P ON2 P3 ON4 0.03 3 0.0 !from P ON2 P2 ON4, adm jr. 7/01
+X ON4 P3 X 0.30 3 0.0 !from MP_1, adm jr.
+!for nadp/nadph, adm jr.
+HN7 CN7 CN7B ON5 0.195 3 0.0
+HN8 CN8B CN7 ON5 0.195 1 0.0 ! phosphoramidate and carbocyclic sugars
+HN7 CN7 CN7 CN7 0.195 3 0.0
+HN7 CN7 CN7 CN7B 0.195 3 0.0
+HN7 CN7B CN7 CN7 0.195 3 0.0
+HN7 CN7B NN2 CN3B 0.195 3 0.0
+HN7 CN7B NN2 CN3C 0.195 3 0.0
+HN7 CN7 CN7B HN7 0.195 3 0.0
+HN7 CN7 CN7B ON6 0.195 3 0.0
+HN7 CN7 CN7B ON2 0.195 3 0.0
+HN8 CN8 CN7B ON2 0.195 3 0.0 ! 25P1
+HN7 CN7B CN7B ON2 0.195 3 0.0
+HN7 CN7 CN7B NN2 0.195 3 0.0
+!
+ON6 CN7B CN7 ON5 3.4 1 180.0 !gam
+CN7 CN7B NN2 CN3B 0.0 3 0.0
+CN8 CN7B NN2 CN3B 0.0 3 0.0 ! 25P1
+CN7B CN7B NN2 CN3B 0.0 3 0.0 ! for NADPH
+ON6 CN7B NN2 CN3B 0.0 3 0.0 !
+ON6B CN7B NN2 CN3B 0.0 3 0.0 ! for NADPH
+CN7 CN7B NN2 CN3C 0.0 3 0.0
+CN7B CN7B NN2 CN3C 0.0 3 0.0 ! for NADPH
+ON6 CN7B NN2 CN3C 0.0 3 0.0 !
+ON6B CN7B NN2 CN3C 0.0 3 0.0 ! for NADPH
+CN7 CN7 CN7B NN2 0.0 3 0.0
+CN8 CN7 CN7B NN2 0.0 3 0.0 ! 25P1
+CN7 CN7B NN2 CN5 0.3 3 0.0 ! NF
+CN7 CN7B NN2 CN4 0.0 3 180.0 ! NF
+ON2 CN7 CN7B NN2 0.0 3 0.0
+ON2 CN7B CN7B NN2 0.0 3 0.0 !for NADPH
+ON2 CN7B CN7B NN2B 0.0 3 0.0 ! 25P1
+ON5 CN7 CN7B NN2 0.0 3 0.0
+
+! sugar, replace with ribose terms 021998
+CN7 CN7B ON6 CN7 0.6 6 180.0
+CN7B CN7 CN7 CN7 0.4 6 0.0 ! good for amplitudes
+CN7B CN7 CN7 CN9 0.4 6 0.0 ! good for amplitudes, 5MET
+CN7 CN7 CN7 ON6 0.6 6 0.0
+CN7 CN7 CN7B ON6 0.6 6 0.0
+CN8 CN7 CN7B ON6 0.6 6 0.0 ! 25P1
+ON2 CN7 CN7 CN7 0.8 6 0.0 !
+ON2 CN7 CN7 CN7 0.4 5 0.0 ! Moves the barrier right
+ON2 CN7 CN7 CN7 2.0 3 180.0 !
+! for ndph
+ON2 CN7B CN7 CN7 0.8 6 0.0 !
+ON2 CN7B CN7 CN7 0.4 5 0.0 ! Moves the barrier right
+ON2 CN7B CN7 CN7 2.0 3 180.0 !
+! 25P1
+ON2 CN7B CN8 CN7 0.8 6 0.0 !
+ON2 CN7B CN8 CN7 0.4 5 0.0 ! Moves the barrier right
+ON2 CN7B CN8 CN7 2.0 3 180.0 !
+!
+ON5 CN7 CN7 CN7 0.8 6 0.0 !
+ON5 CN7 CN7 CN7 0.4 5 0.0 ! Moves the barrier right
+ON5 CN7 CN7 CN7 2.0 3 180.0 !
+ON5 CN7 CN7 ON5 0.0 3 0.0 !
+ON5 CN7 CN7 ON2 0.0 3 0.0 !
+ON2 CN7 CN7B ON6 0.5 6 0.0 !good for amplitudes
+ON2 CN7 CN7B ON6 0.3 5 0.0 !impact on amplitudes
+ON2 CN7 CN7B ON6 0.6 4 180.0 !increases c2'endo
+ON2 CN7 CN7B ON6 0.2 3 0.0 !
+CN7 CN7 CN7 CN8B 0.5 4 180.0 !del lowers 180 deg.
+
+!============ new parameters for sugar model compounds ===============
+!---------------- added for thf-imidazole ------------------
+!-- For link between base and sugar:
+CN7B NR1 CPH1 HR3 0.0 2 180.0 !NF
+CN7B NR1 CPH1 CPH1 0.0 1 0.0 !
+CN7B NR1 CPH2 HR1 0.0 2 180.0 !
+CN7B NR1 CPH2 NR2 0.0 2 180.0 !
+!-- For chi:
+ON6 CN7B NR1 CPH1 0.2 3 0.0 !
+ON6 CN7B NR1 CPH1 0.5 2 -70.0 !
+ON6 CN7B NR1 CPH1 0.6 1 180.0 !
+ON6 CN7B NR1 CPH2 0.3 1 0.0 !
+
+ON6B CN7B NR1 CPH1 0.2 3 0.0 ! RNUS
+ON6B CN7B NR1 CPH1 0.5 2 -70.0 ! RNUS
+ON6B CN7B NR1 CPH1 0.6 1 180.0 ! RNUS
+ON6B CN7B NR1 CPH2 0.3 1 0.0 ! RNUS
+
+CN8 CN7B NR1 CPH1 0.2 4 0.0 !
+CN8 CN7B NR1 CPH2 0.1 3 180.0 !
+CN8 CN7B NR1 CPH2 0.3 2 0.0 !
+CN8 CN7B NR1 CPH2 0.0 1 180.0 !
+
+CN7B CN7B NR1 CPH1 0.2 4 0.0 ! RNUS
+CN7B CN7B NR1 CPH2 0.1 3 180.0 ! RNUS
+CN7B CN7B NR1 CPH2 0.3 2 0.0 ! RNUS
+CN7B CN7B NR1 CPH2 0.0 1 180.0 ! RNUS
+
+HN7 CN7B NR1 CPH1 0.0 3 0.0 !
+HN7 CN7B NR1 CPH2 0.195 3 0.0 !
+CN8 CN8 CN7B NR1 0.0 3 0.0
+CN7 CN7B CN7B NR1 0.0 3 0.0 ! RNUS
+CN8 ON6 CN7B NR1 0.0 3 0.0
+HN8 CN8 CN7B NR1 0.0 3 0.0
+HN7 CN7B CN7B NR1 0.0 3 0.0 ! RNUS
+NR1 CN7B CN7B ON5 0.0 3 0.0 ! RNUS
+!-- For imidazole, transferred from imidazole alone:
+CPH2 NR1 CPH1 CPH1 14.0000 2 180.00 ! From imidazole (NF)
+CPH2 NR2 CPH1 CPH1 14.0000 2 180.00 ! From imidazole (NF)
+NR1 CPH1 CPH1 HR3 3.0000 2 180.00 ! From imidazole (NF)
+NR1 CPH2 NR2 CPH1 14.0000 2 180.00 ! From imidazole (NF)
+NR2 CPH1 CPH1 NR1 14.0000 2 180.00 ! From imidazole (NF)
+NR2 CPH2 NR1 CPH1 14.0000 2 180.00 ! From imidazole (NF)
+HR1 CPH2 NR1 CPH1 3.0000 2 180.00 ! From imidazole (NF)
+HR1 CPH2 NR2 CPH1 3.0000 2 180.00 ! From imidazole (NF)
+HR3 CPH1 CPH1 HR3 2.0000 2 180.00 ! From imidazole (NF)
+HR3 CPH1 NR1 CPH2 3.0000 2 180.00 ! From imidazole (NF)
+HR3 CPH1 NR2 CPH2 3.0000 2 180.00 ! From imidazole (NF)
+NR2 CPH1 CPH1 HR3 3.0000 2 180.00 ! From imidazole (NF)
+
+
+!------------------- added for thf-oh-ch3-im ---------------------
+CN7B ON6 CN7 CN8 0.0 3 0.0 ! 25P1
+CN7B ON6 CN7 CN9 0.0 3 0.0
+CN7 ON6 CN7B NR1 0.0 3 0.0
+CN7 ON6B CN7B NR1 0.0 3 0.0 ! RNUS
+NR1 CN7B CN8 CN7 0.0 3 0.0
+!%%%%%%% new terms for dna and the deoxyribose-based model compounds %%%%%%
+! The following is for: THF3P (model for espilon), THFM3P (model for puckering),
+! THF5P (model for gamma and beta), THFCH3IM (model for chi), nucleotide analogue
+!@@@@@@ Begining of chi
+!============= added for torsion about chi in adenine ============
+!For link from sugar to base:
+CN7B NN2 CN4 HN3 0.3 2 180.0 ! NF
+CN7B NN2 CN5 CN5 11.0 2 180.0 ! adm jr.
+CN7B NN2 CN4 NN4 11.0 2 180.0 ! adm jr.
+CN7B NN2 CN4 NN3A 11.0 2 180.0 ! adm jr.
+!For chi itself:
+ !DNA:
+ON6 CN7B NN2 CN5 1.1 1 180.0 !
+ON6 CN7B NN2 CN4 1.1 1 0.0 ! NF
+ !RNA:
+ON6B CN7B NN2 CN5 1.1 1 180.0 !
+ON6B CN7B NN2 CN4 1.1 1 0.0 !
+ !DNA:
+CN8 CN7B NN2 CN5 0.3 3 0.0 ! NF
+CN8 CN7B NN2 CN4 0.0 3 180.0 ! NF
+ !RNA:
+CN7B CN7B NN2 CN5 0.3 3 0.0 ! NF
+CN7B CN7B NN2 CN4 0.0 3 180.0 ! NF
+ !Arabinose:
+CN7C CN7B NN2 CN5 0.3 3 0.0 !
+CN7C CN7B NN2 CN4 0.0 3 180.0 !
+
+HN7 CN7B NN2 CN5 0.0 3 0.0 ! NF
+HN7 CN7B NN2 CN4 0.195 3 0.0 ! NF
+!@@@@@@ End of chi in adenines
+
+!============== terms for torsion about chi in cytosines ===========
+CN7B NN2 CN3 HN3 0.3 2 180.0 ! NF
+CN7B NN2 CN1 ON1C 11.0 2 180.0 ! adm jr. from A
+CN7B NN2 CN1 NN3 11.0 2 180.0 ! adm jr.
+CN7B NN2 CN3 CN3 11.0 2 180.0 ! adm jr.
+ !DNA:
+ON6 CN7B NN2 CN1 0.0 3 0.0 !
+ON6 CN7B NN2 CN3 1.0 1 0.0 ! NF
+ !RNA:
+ON6B CN7B NN2 CN1 0.0 3 0.0 !
+ON6B CN7B NN2 CN3 1.0 1 0.0 !
+ !DNA:
+CN7 CN7B NN2 CN1 1.0 3 0.0 ! 25P1
+CN8 CN7B NN2 CN1 1.0 3 0.0 !
+CN7 CN7B NN2 CN3 0.0 3 180.0 ! NF 030697, 25P1
+CN8 CN7B NN2 CN3 0.0 3 180.0 ! NF 030697
+ !RNA:
+CN7B CN7B NN2 CN1 1.0 3 0.0 !
+CN7B CN7B NN2 CN3 0.0 3 180.0 !
+ !Arabinose:
+CN7C CN7B NN2 CN1 1.0 3 0.0 !
+CN7C CN7B NN2 CN3 0.0 3 180.0 !
+
+HN7 CN7B NN2 CN1 0.0 3 0.0 ! NF
+HN7 CN7B NN2 CN3 0.195 3 0.0 ! NF
+!@@@@@@ End of chi in cytosines
+
+!=========== terms for torsion about chi in uracils/thymines ===========
+CN7B NN2B CN3 HN3 0.3 2 180.0 ! NF
+CN7B NN2B CN1T ON1 11.0 2 180.0 ! adm jr. from A
+CN7B NN2B CN1T NN2U 11.0 2 180.0 ! adm jr.
+CN7B NN2B CN3 CN3T 11.0 2 180.0 ! adm jr.
+ !DNA:
+ON6 CN7B NN2B CN1 0.0 3 0.0 !
+ON6 CN7B NN2B CN1T 0.7 3 0.0 !
+ON6 CN7B NN2B CN1T 0.8 1 180.0 !
+ON6 CN7B NN2B CN3 0.9 1 0.0 ! NF
+ !RNA:
+ON6B CN7B NN2B CN1 0.0 3 0.0 !
+ON6B CN7B NN2B CN1T 0.7 3 0.0 !
+ON6B CN7B NN2B CN1T 0.8 1 180.0 !
+ON6B CN7B NN2B CN3 0.9 1 0.0 !
+ !DNA:
+CN8 CN7B NN2B CN1T 0.2 3 180.0 !
+CN8 CN7B NN2B CN3 0.0 3 180.0 ! NF
+ !RNA:
+CN7B CN7B NN2B CN1T 0.2 3 180.0 !
+CN7B CN7B NN2B CN3 0.0 3 180.0 !
+ !Arabinose:
+CN7C CN7B NN2B CN1T 0.2 3 180.0 !
+CN7C CN7B NN2B CN3 0.0 3 180.0 !
+
+HN7 CN7B NN2B CN1T 0.0 3 0.0 ! NF
+HN7 CN7B NN2B CN3 0.195 3 0.0 ! NF
+!@@@@@@ End of chi in thymines
+
+!============= added for torsion about chi in guanine ============
+CN7B NN2B CN4 HN3 0.3 2 180.0 ! NF
+CN7B NN2B CN4 NN4 11.0 2 180.0 ! adm jr.
+CN7B NN2B CN5 CN5G 11.0 2 180.0 ! adm jr. from U
+CN7B NN2B CN5 NN3G 11.0 2 180.0 ! adm jr.
+ !DNA:
+ON6 CN7B NN2B CN5 0.2 3 0.0 !
+ON6 CN7B NN2B CN5 1.1 1 180.0 !
+ON6 CN7B NN2B CN4 1.4 1 0.0 ! NF
+ !RNA:
+ON6B CN7B NN2B CN5 0.2 3 0.0 !
+ON6B CN7B NN2B CN5 1.1 1 180.0 !
+ON6B CN7B NN2B CN4 1.4 1 0.0 !
+ !DNA:
+CN8 CN7B NN2B CN5 0.0 3 0.0 ! NF
+CN8 CN7B NN2B CN4 0.0 3 180.0 ! NF 030697
+ !RNA:
+CN7B CN7B NN2B CN5 0.0 3 0.0 ! NF
+CN7B CN7B NN2B CN4 0.0 3 180.0 !
+ !Arabinose:
+CN7C CN7B NN2B CN5 0.0 3 0.0 !
+CN7C CN7B NN2B CN4 0.0 3 180.0 !
+
+HN7 CN7B NN2B CN5 0.0 3 0.0 ! NF
+HN7 CN7B NN2B CN4 0.195 3 0.0 ! NF
+!@@@@@@ End of chi in guanines
+!@@@@@@ link (not chi) between base and sugar for both purines and pyrimidines:
+ !DNA:
+CN7 ON6 CN7B NN2 0.0 3 0.0
+CN7 ON6 CN7B NN2B 0.0 3 0.0
+ !RNA:
+CN7 ON6B CN7B NN2 0.0 3 0.0
+CN7 ON6B CN7B NN2B 0.0 3 0.0
+ !DNA:
+CN7 CN8 CN7B NN2 0.0 3 0.0
+CN7 CN8 CN7B NN2B 0.0 3 0.0
+HN8 CN8 CN7B NN2 0.0 3 0.0
+HN8 CN8 CN7B NN2B 0.0 3 0.0
+ !RNA:
+CN7 CN7B CN7B NN2 0.0 3 0.0
+CN8 CN7B CN7B NN2 0.0 3 0.0 ! 25P1
+CN7 CN7B CN7B NN2B 0.0 3 0.0
+CN8 CN7B CN7B NN2B 0.0 3 0.0 ! 25P1
+ !Arabinose:
+CN7 CN7C CN7B NN2 0.0 3 0.0
+CN7 CN7C CN7B NN2B 0.0 3 0.0
+ !RNA
+HN7 CN7B CN7B NN2 0.0 3 0.0
+HN7 CN7B CN7B NN2B 0.0 3 0.0
+ !Arabinose:
+HN7 CN7C CN7B NN2 0.0 3 0.0
+HN7 CN7C CN7B NN2B 0.0 3 0.0
+
+!@@@@@@ Begining of torsions involving exocyclic sugar atoms:
+!======= CN7 CN8B ON2 P = C4'-C5'-O5'-P
+CN7 CN8B ON2 P 0.2 1 120.0 !bet C4'-C5'-O5'-P, adm jr.
+! the following differ significantly from the alcohols
+! in the protein (based on ethanol), they also differ from other
+! NA C-C-OH-H parameters (see below)
+! The two following terms have been replaced by their ethanol
+! counterpart (NF, 083098)
+CN7 CN8B ON5 HN5 1.3300 1 0.00
+CN7 CN8B ON5 HN5 0.1800 2 0.00
+CN7 CN8B ON5 HN5 0.3200 3 0.00
+!======= HN8 CN8B ON2 P = H-C5'-O5'-P )beta
+HN8 CN8B ON5 HN5 0.0 3 0.0 !bet
+!======== CN7 CN7 CN8B ON2 = C3'-C4'-C5'-O5'
+! When O5' is ON2 (phosphodiester linkage):
+CN7 CN7 CN8B ON2 0.20 4 180.0 !gam adm jr.
+CN7 CN7 CN8B ON2 0.80 3 180.0 !gam C3'-C4'-C5'-O5'
+CN7 CN7 CN8B ON2 0.40 2 0.0 !gam
+CN7 CN7 CN8B ON2 2.50 1 180.0 !gam
+!
+CN8 CN7 CN8B ON2 0.2 3 180.0 ! from gam, carbocyclic and 25P1
+! When O5' is ON5 (5TER patch):
+CN7 CN7 CN8B ON5 0.20 4 180.0 !gam adm jr.
+CN7 CN7 CN8B ON5 0.80 3 180.0 !gam C3'-C4'-C5'-O5'
+CN7 CN7 CN8B ON5 0.40 2 0.0 !gam
+CN7 CN7 CN8B ON5 2.50 1 180.0 !gam
+!======== ON6 CN7 CN8B ON2 = O4'-C4'-C5'-O5'
+! When O5' is ON2 (3'-5' phosphodiester linkage)
+ON6 CN7 CN8B ON2 3.4 1 180.0 !gam O4'-C4'-C5'-O5',influences +60
+ON6B CN7 CN8B ON2 3.4 1 180.0 !gam, RNA
+! When O5' is ON5 (5TER patch):
+ON6 CN7 CN8B ON5 3.4 1 180.0 !gam
+ON6B CN7 CN8B ON5 3.4 1 180.0 !gam, RNA
+!======== HN8 CN8B CN7 CN7 = H-C5'-C4'-H
+HN8 CN8B CN7 CN7 0.195 3 0.0 !gam,H-C5'-C4'-H
+HN8 CN8B CN7 CN8 0.195 1 0.0 !gam, carbocylic, 25P1
+!======== HN7 CN8B CN7 ON6 = H-C5'-C4'-O4'
+HN8 CN8B CN7 ON6 0.195 1 0.0 !gam,H-C5'-C4'-O4'
+HN8 CN8B CN7 ON6B 0.195 1 0.0 !gam, RNA
+!======== HN7 CN7 CN8B ON2 = H-C4'-C5'-O5'
+! When O5' is ON2 (phosphodiester linkage):
+HN7 CN7 CN8B ON2 0.195 3 0.0 !gam H-C4'-C5'-O5'
+! When O5' is ON5 (5TER patch):
+HN7 CN7 CN8B ON5 0.195 3 0.0 !gam
+HN8 CN8 CN8 ON6 0.195 1 0.0 !gam,H-C5'-C4'-O4'
+! terms for 5MET patch
+CN9 CN7 CN7 CN8B 0.5 4 180.0 !cn8 -> cn9
+HN7 CN7 CN9 HN9 0.195 3 0.0 !cn8 -> cn9
+CN7 CN7 CN9 HN9 0.195 3 0.0 !cn8 -> cn9
+ON6 CN7 CN9 HN9 0.195 3 0.0 !cn7 -> cn9
+HN7 CN7B CN7 CN8 0.195 3 0.0 !cn8 -> cn9, 25P1
+HN7 CN7 CN7 CN9 0.195 3 0.0 !cn8 -> cn9
+ON2 CN7 CN7 CN9 0.2 4 0.0 !cn8b -> cn9
+ON2 CN7 CN7 CN9 0.8 3 180.0 !cn8b -> cn9
+CN8 CN7 CN7 CN9 0.5 4 180.0 !cn8b -> cn9
+
+!======== CN8 CN7 CN7 CN8B = C2'-C3'-C4'-C5'
+! This term is well suited to modify the puckering surfaces, in
+! particular because it is present in THF5P
+CN8 CN7 CN7 CN8B 0.5 4 180.0 !del lowers 180 deg.
+CN7B CN7 CN7 CN8B 0.2 4 180.0 !del, RNA
+CN7C CN7 CN7 CN8B 0.5 4 180.0 !del, arabinose
+!======== CN8B CN7 CN7 ON2 = C5'-C4'-C3'-O3'
+! These terms affect the c2endo/c3endo energy difference
+! When O3' is ON2 (3'-5' phosphodiester linkage)
+ON2 CN7 CN7 CN8B 0.2 4 0.0 !del
+! the following term controls the location of the barrier at ~75 deg.
+ON2 CN7 CN7 CN8B 0.8 3 180.0 !del,decreases P [100,250]
+! When O3' is ON5 (patch 3TER)
+ON5 CN7 CN7 CN8B 0.2 4 0.0 !
+ON5 CN7 CN7 CN8B 0.8 3 180.0 !
+!======== ON6 CN7 CN7 ON2 = O4'-C4'-C3'-O3'
+! These terms contribute to delta
+! These terms are present in THF3P and THFM3P but not in THF5P
+! When O3' is ON2 (3'-5' phosphodiester linkage)
+ON2 CN7 CN7 ON6 0.5 6 0.0 !del, good for amplitudes
+ON2 CN7 CN7 ON6 0.3 5 0.0 !del, impact on amplitudes
+ON2 CN7 CN7 ON6 0.6 4 180.0 !del, increases c2'endo
+ON2 CN7 CN7 ON6 0.2 3 0.0 !
+ON2 CN7 CN7 ON6B 0.4 6 0.0 !del, RNA, good for amplitudes
+ON2 CN7 CN7 ON6B 0.0 5 0.0 !del, RNA, impact on amplitudes
+ON2 CN7 CN7 ON6B 0.0 4 180.0 !del, RNA, increases c2'endo
+ON2 CN7 CN7 ON6B 1.6 3 0.0 !del, RNA, increases C2'endo
+! for ndph: make identical to ON2 CN7 CN7 ON6B
+ON2 CN7B CN7B ON6B 0.4 6 0.0 !del, RNA, good for amplitudes
+ON2 CN7B CN7B ON6B 0.0 5 0.0 !del, RNA, impact on amplitudes
+ON2 CN7B CN7B ON6B 0.0 4 180.0 !del, RNA, increases c2'endo
+ON2 CN7B CN7B ON6B 1.6 3 0.0 !del, RNA, increases C2'endo
+! When O3' is ON5 (patch 3TER)
+ON5 CN7 CN7 ON6 0.5 6 0.0 !
+ON5 CN7 CN7 ON6 0.3 5 0.0 !
+ON5 CN7 CN7 ON6 0.6 4 180.0 !
+ON5 CN7 CN7 ON6 0.2 3 0.0 !
+ON5 CN7 CN7 ON6B 0.4 6 0.0 !RNA
+ON5 CN7 CN7 ON6B 0.0 5 0.0 !RNA
+ON5 CN7 CN7 ON6B 0.0 4 180.0 !RNA
+ON5 CN7 CN7 ON6B 1.6 3 0.0 !RNA. increases c2'endo
+
+!======== CN8B CN7 ON6 CN7B = C5'-C4'-O4'-C1'
+! This term can be used to adjust the c2'endo/c3'endo
+! energy difference in THF5P
+CN7B ON6 CN7 CN8B 0.8 3 0.0 ! P [30,80]
+CN7B ON6B CN7 CN8B 2.0 3 0.0 ! To lower barrier in RNA
+CN7B ON6B CN7 CN8 2.0 3 0.0 ! To lower barrier in RNA, 25P1
+CN7B ON6B CN7 CN9 2.0 3 0.0 ! To lower barrier in RNA, 5MET
+!======== ON2 CN7 CN8 CN7B = O3'-C3'-C2'-C1'
+! This term can be used to adjust the c2'endo/c3'endo
+! When O3' is ON2
+ON2 CN7 CN8 CN7B 0.8 6 0.0 !
+ON2 CN7 CN8 CN7B 0.4 5 0.0 ! Moves the barrier right
+ON2 CN7 CN8 CN7B 2.0 3 180.0 !
+ON2 CN7 CN7B CN7B 0.6 6 0.0 ! RNA
+ON2 CN7 CN7B CN7B 0.0 5 0.0 ! RNA c2/c3 endo in RNA
+ON2 CN7 CN7B CN7B 1.6 3 180.0 !
+ON2 CN7 CN7C CN7B 0.8 6 0.0 ! Arabinose (from DNA)
+ON2 CN7 CN7C CN7B 0.4 5 0.0 !
+ON2 CN7 CN7C CN7B 2.0 3 180.0 !
+!When O3' is ON5 (patch 3TER)
+ON5 CN7 CN8 CN7B 0.8 6 0.0 !
+ON5 CN7 CN8 CN7B 0.4 5 0.0 !
+ON5 CN7 CN8 CN7B 2.0 3 180.0 !
+ON5 CN7 CN7B CN7B 0.6 6 0.0 ! RNA, c2/c3 endo
+ON5 CN7 CN7B CN7B 0.0 5 0.0 ! RNA
+ON5 CN7 CN7B CN7B 1.6 3 180.0 ! RNA
+ON5 CN7 CN7C CN7B 0.8 6 0.0 ! Arabinose (from DNA)
+ON5 CN7 CN7C CN7B 0.4 5 0.0 ! Arabinose (from DNA)
+ON5 CN7 CN7C CN7B 2.0 3 180.0 ! Arabinose (from DNA)
+!======== ON2 CN7 CN8 HN8 = O3'-C3'-C2'-H
+ON2 CN7 CN8 HN8 0.195 3 0.0 !
+ON5 CN7 CN8 HN8 0.195 3 180.0 !
+ON2 CN7 CN7B HN7 0.195 3 0.0 ! RNA
+ON5 CN7 CN7B HN7 0.195 3 180.0 ! RNA
+ON2 CN7 CN7C HN7 0.195 3 0.0 ! Arabinose (from DNA)
+ON5 CN7 CN7C HN7 0.195 3 180.0 ! Arabinose (from DNA)
+!======== HN7 CN7 CN7 ON2 = H-C4'-C3'-O3'
+HN7 CN7 CN7 ON2 0.195 3 0.0
+HN7 CN7 CN7 ON5 0.195 3 0.0
+!======== CN7 CN7 ON2 P = C4'-C3'-O3'-P
+CN7 CN7 ON2 P 0.6 5 0.0 !eps
+CN7 CN7 ON2 P 0.2 4 0.0 !eps, locat of 200 mimima
+CN7 CN7 ON2 P 0.0 3 180.0 !eps, barE beteen minima
+CN7 CN7 ON2 P 0.4 2 0.0 !eps, relE of 200 vs 275 min
+CN7 CN7 ON2 P 1.9 1 180.0 !eps
+!======== CN8 CN7 ON2 P = C2'-C3'-O3'-P
+! This term is involved in epsilon
+CN8 CN7 ON2 P 2.5 1 180.0 !eps
+CN7B CN7 ON2 P 2.5 1 180.0 !eps, RNA
+CN7B CN7B ON2 P 2.5 1 180.0 !eps, NADPH
+CN7 CN7B ON2 P 2.5 1 180.0 !eps, NADPH
+CN8 CN7B ON2 P 2.5 1 180.0 !eps, 25P1
+CN7C CN7 ON2 P 2.5 1 180.0 !eps, Arabinose (from DNA)
+! base on thfalloh
+! the following differ significantly from the protein based
+! alcohol parameters (based on ethanol, see above)
+CN7 CN7 ON5 HN5 0.5 3 0.0
+CN7 CN7 ON5 HN5 0.3 2 180.0
+CN7 CN7 ON5 HN5 1.5 1 0.0
+CN8 CN7 ON5 HN5 0.5 3 0.0
+CN8 CN7 ON5 HN5 1.0 2 180.0
+CN8 CN7 ON5 HN5 0.3 1 0.0
+CN7B CN7 ON5 HN5 0.8 3 0.0 ! RNA
+CN7B CN7 ON5 HN5 0.5 1 0.0 ! RNA
+CN7C CN7 ON5 HN5 0.8 3 0.0 ! Arabinose (from DNA)
+CN7C CN7 ON5 HN5 0.5 1 0.0 ! Arabinose (from DNA)
+! Was simply transfered from HN7 CN7 ON2 P
+! adm jr. should convert to alcohol term (see ribose etc)
+HN7 CN7 ON5 HN5 0.0 3 0.0
+HN7 CN7 CN8B HN8 0.195 3 0.0 !gam H-C4'-C5'-H
+HN7 CN7 CN7 CN8B 0.195 3 0.0 !gam H-C3'-C4'-C5'
+!@@@@@@ End of torsions involving exocyclic atoms:
+!@@@@@@ Begining of torsions for endocyclic atoms only:
+CN8 CN7B ON6 CN7 0.6 6 180.0 !C2'-C1'-O4'-C4'
+CN8 CN7 CN7 ON6 0.0 3 0.0 !C2'-C3'-C4'-O4'
+CN7B CN7B ON6B CN7 0.0 6 0.0 ! RNA, Lowers barrier
+CN7B CN7 CN7 ON6B 0.0 3 0.0 ! RNA
+CN7C CN7B ON6 CN7 0.6 6 180.0 ! Arabinose (from DNA)
+CN7C CN7 CN7 ON6 0.0 3 0.0 ! Arabinose (from DNA)
+!======== CN7 CN8 CN7B ON6 for nucleosides, transfered from =========
+!======== CN7 CN8 CN8 ON6 from thfoh ==============================
+CN7 CN8 CN7B ON6 0.6 6 0.0 ! C3'-C2'-C1'-O4', adjust barrier
+CN7 CN7B CN7B ON6B 0.4 6 0.0 ! RNA
+CN8 CN7B CN7B ON6B 0.4 6 0.0 ! RNA, 25P1
+CN7 CN7C CN7B ON6 0.6 6 0.0 ! Arabinose (from DNA)
+!======== C1'-C2'-C3'-C4' ========
+CN7B CN8 CN7 CN7 0.4 6 0.0 ! good for amplitudes
+CN7B CN7B CN7 CN7 0.0 6 0.0 ! RNA
+CN7B CN7B CN8 CN7 0.0 6 0.0 ! RNA, 25P1
+CN7B CN7C CN7 CN7 0.4 6 0.0 ! Arabinose (from DNA)
+!======== CN7 CN7 ON6 CN7B for nucleosides, transfered from ========
+!======== CN7 CN7 ON6 CN8 from thfohch3 ============================
+CN7 CN7 ON6 CN7B 0.6 6 180.0 ! C3'-C4'-O4'-C1'
+CN7 CN7 ON6B CN7B 0.0 6 180.0 ! RNA
+!======== Directly adjusted with TM3P
+HN7 CN7 CN7 CN8 0.0 3 0.0 !puc,H-C3'-C4'-C5'
+HN7 CN7 CN7 CN7C 0.0 3 0.0 ! Arabinose (from DNA)
+!======== HN7 CN7 CN7 ON6 = H-C2'-C3'-O4'
+HN7 CN7 CN8 CN7B 0.195 3 0.0 !H-C3'-C2'-C1'
+HN7 CN7B CN8 CN7 0.195 3 0.0 !H-C1'-C2'-C3'
+HN7 CN7 CN7 ON6 0.195 3 180.0 ! useful
+HN8 CN8 CN7B ON6 0.195 3 0.0 !H-C2'-C1'-O4'
+HN7 CN7 CN7 HN7 0.195 3 0.0 !H-C4'-C3'-H
+HN7 CN7B CN8 HN8 0.195 3 0.0 !H-C1'-C2'-H
+HN7 CN7 CN8 HN8 0.195 3 0.0 !H-C3'-C2'-H
+HN8 CN8 CN7 CN7 0.195 3 0.0 ! useful *cccc*
+HN7 CN7 ON6 CN7B 0.195 3 0.0 !H-C3'-C2'-C1'
+HN7 CN7B ON6 CN7 0.000 3 0.0 !H-C1'-O4'-C4'
+HN7 CN7 CN7 ON6B 0.195 3 180.0 ! RNA
+HN9 CN9 CN7 ON6B 0.195 3 180.0 ! RNA, 5MET
+HN8 CN8 CN7B ON6B 0.195 3 0.0 ! RNA
+HN7 CN7B ON6B CN7 0.000 3 0.0 ! RNA
+HN7 CN7 ON6B CN7B 0.195 3 0.0 ! RNA
+HN7 CN7 CN7B CN7B 0.195 3 0.0 ! RNA, H-C3'-C2'-C1'
+HN8 CN8 CN7B CN7B 0.195 3 0.0 ! RNA, H-C3'-C2'-C1', 25P1
+HN7 CN7B CN7B CN7 0.195 3 0.0 ! RNA, H-C1'-C2'-C3'
+HN7 CN7B CN7B CN8 0.195 3 0.0 ! RNA, H-C1'-C2'-C3', 25P1
+HN7 CN7B CN7B ON6B 0.195 3 0.0 ! RNA, H-C2'-C1'-O4'
+HN7 CN7 CN7C CN7B 0.195 3 0.0 !Arabinose (from DNA), H-C3'-C2'-C1'
+HN7 CN7B CN7C CN7 0.195 3 0.0 !Arabinose (from DNA), H-C1'-C2'-C3'
+HN7 CN7C CN7B ON6 0.195 3 0.0 !Arabinose (from DNA), H-C2'-C1'-O4'
+HN7 CN7B CN7C HN7 0.195 3 0.0 !Arabinose (from DNA), H-C1'-C2'-H
+HN7 CN7 CN7C HN7 0.195 3 0.0 !Arabinose (from DNA), H-C3'-C2'-H
+HN7 CN7C CN7 CN7 0.195 3 0.0 !Arabinose (from DNA), useful *cccc*
+!@@@@@@ End of torsions for endocyclic atoms only
+
+!@@@@@@ Begining of torsions specifically defined for RNA @@@@@@
+! N9-C1'-C2'-O2':
+NN2 CN7B CN7B ON5 0.000 3 0.0 ! Adenine and cytosine
+NN2B CN7B CN7B ON5 0.000 3 0.0 ! Guanine and uracil
+ON5 CN7B CN7B HN7 0.000 3 0.0 !
+HN7 CN7B CN7B HN7 0.000 3 0.0 !
+CN7 CN7 CN7B ON5 0.000 3 0.0
+ON6B CN7B CN7B ON5 0.000 3 0.0
+ON5 CN7B CN7 ON2 0.000 3 0.0
+! for ndph
+ON5 CN7 CN7B ON2 0.000 3 0.0
+ON5 CN7B CN7 ON5 0.000 3 0.0
+HN7 CN7B ON5 HN5 0.000 3 0.0
+! the following differ significantly from the protein based
+! alcohol parameters (based on ethanol, see above)
+HN5 ON5 CN7B CN7B 0.000 6 180.0 !
+HN5 ON5 CN7B CN7B 0.800 3 0.0 !
+HN5 ON5 CN7B CN7B 0.000 2 180.0 !
+HN5 ON5 CN7B CN7B 0.000 1 180.0 !
+HN5 ON5 CN7B CN7 0.300 3 0.0 ! 030298
+HN5 ON5 CN7B CN7 0.000 1 0.0 ! 030298
+!@@@@@@ End of torsions specifically defined for RNA @@@@@@
+
+!@@@@@@ Begining of torsions specifically defined for arabinose @@@@@@
+ON6 CN7B CN7C ON5 0.000 3 0.0
+! the following differ significantly from the protein based
+! alcohol parameters (based on ethanol, see above)
+CN7B CN7C ON5 HN5 0.000 3 0.0
+CN7 CN7C ON5 HN5 0.000 3 0.0
+HN7 CN7B CN7C ON5 0.000 3 0.0
+CN7 CN7 CN7C ON5 0.000 3 0.0
+HN7 CN7C ON5 HN5 0.000 3 0.0
+ON5 CN7C CN7 HN7 0.000 3 0.0
+ON5 CN7C CN7 ON2 0.000 3 0.0
+!@@@@@@ End of torsions specifically defined for arabinose @@@@@@
+
+IMPROPER
+!
+!V(improper) = Kpsi(psi - psi0)**2
+!
+!Kpsi: kcal/mole/rad**2
+!psi0: degrees
+!note that the second column of numbers (0) is ignored
+!
+!atom types Kpsi psi0
+!
+!
+HN2 X X NN2 1.0 0 0.0 !C, adm jr. 11/97
+NN2B CN4 CN5 HN2 7.0 0 0.0 !G, adm jr. 11/97
+NN2G CN4 CN1 HN2 0.8 0 0.0 !Inosine, adm jr. 2/94
+HN1 X X NN1 4.0 0 0.0 !G, adm jr. 11/97
+NN1 CN2 HN1 HN1 6.0 0 0.0 !A,C adm jr. 11/97
+CN1 X X ON1 90.0 0 0.0 !U
+CN1T X X ON1 90.0 0 0.0 !U
+CN1 NN2G CN5G ON1 90.0 0 0.0 !G
+CN1T NN2B NN2U ON1 110.0 0 0.0 !T/O2, adm jr. 11/97
+CN1 NN2U CN3T ON1 90.0 0 0.0 !T/O4, adm jr. 11/97
+CN1 X X ON1C 80.0 0 0.0 !C, par_32, adm jr. 10/2/91
+CN2 X X NN1 90.0 0 0.0 !C,
+CN2 NN3G NN2G NN1 40.0 0 0.0 !G
+CN2 NN3A CN5 NN1 40.0 0 0.0 !A
+CN2 NN3 CN3 NN1 60.0 0 0.0 !C,
+CN4 NN2G NN3I HN3 39.0 0 0.0 !Inosine, adm jr. 2/94
+CN9 X X CN3T 14.0 0 0.0 !T, adm jr. 11/97
+! nicotinamide adenine dinucleotide
+CN3 CN3C CN8 HN6 15.0 0 0.0 !nich, jjp1/adm jr.
+HN3B X X CN3 15.0 0 0.0 !nad/ppi, jjp1/adm jr.
+HN3B X X CN3A 13.0 0 0.0 !nad/ppi, jjp1/adm jr.
+HN3B X X CN3B 13.0 0 0.0 !nad/ppi, jjp1/adm jr.
+HN2 CN3 CN3B NN2 50.0 0 0.0 !nad/ppi, jjp1/adm jr.
+HN1 HN1 CN1A NN1 -5.0 0 0.0 !nad/ppi, jjp1/adm jr.
+ON1 X X CN1A 40.0 0 0.0 !nad/ppi, jjp1/adm jr.
+HN3 X X CN3C 53.0 0 0.0 !nad/ppi, jjp1/adm jr.
+HN6 X X CN3C 53.0 0 0.0 !nich, adm jr.
+HN8 CN3 CN3 CN8 18.0 0 0.0 !nad/ppi, jjp1/adm jr.
+!================== new terms added for sugar model compounds =========
+!----------------------- Added for imidazole --------------------
+HR1 NR1 NR2 CPH2 0.50 0 0.00 ! From imidazole (NF)
+HR1 NR2 NR1 CPH2 0.50 0 0.00 ! From imidazole (NF)
+HR3 CPH1 NR1 CPH1 0.50 0 0.00 ! From imidazole (NF)
+HR3 CPH1 NR2 CPH1 0.50 0 0.00 ! From imidazole (NF)
+HR3 NR1 CPH1 CPH1 0.50 0 0.00 ! From imidazole (NF)
+HR3 NR2 CPH1 CPH1 0.50 0 0.00 ! From imidazole (NF)
+NR1 CPH1 CPH2 CN7B 0.60 0 0.00 ! From imidazole (NF), k increased
+NR1 CPH2 CPH1 CN7B 0.60 0 0.00 ! From imidazole (NF), k increased
+
+! Wildcards used to minimize memory requirements
+NONBONDED NBXMOD 5 ATOM CDIEL FSHIFT VATOM VDISTANCE VFSWITCH -
+ CUTNB 14.0 CTOFNB 12.0 CTONNB 10.0 EPS 1.0 E14FAC 1.0 WMIN 1.5
+!
+!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6]
+!
+!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j)
+!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j
+!
+!atom ignored epsilon Rmin/2 ignored eps,1-4 Rmin/2,1-4
+!
+HT 0.0 -0.0460 0.2245 ! TIP3P
+HN1 0.0 -0.0460 0.2245
+HN2 0.0 -0.0460 0.2245
+HN3 0.0 -0.046 1.1000 !adm jr. aromatic Hvdw
+HNP 0.0 -0.03 1.3582 !JES 8/25/89 values from Jorgensen fit to hydration energy
+HN3B 0.0 -0.046 0.9000 !nad/ppi, jjp1/adm jr.
+HN3C 0.0 -0.03 1.3582 !check
+HN4 0.0 -0.0460 0.2245
+HN5 0.0 -0.0460 0.2245
+HN6 0.0 -0.0220 1.3200
+HN7 0.0 -0.0220 1.3200
+HN8 0.0 -0.0280 1.3400 ! Hydrogen bound to CN8
+HN9 0.0 -0.0240 1.3400 ! Hydrogen bound to CN9
+HNE1 0.0 -0.031 1.25 ! alkene, yin,adm jr., 12/95
+HNE2 0.0 -0.026 1.26 ! alkene, yin,adm jr., 12/95
+!
+NN1 0.0 -0.20 1.85
+NN1C 0.0 -0.20 1.85
+NN2 0.0 -0.20 1.85
+NN2B 0.0 -0.20 1.85 ! From NN2, for N9 in guanines
+NN2C 0.0 -0.20 1.85 !
+NN2G 0.0 -0.20 1.85
+NN2U 0.0 -0.20 1.85
+NN3 0.0 -0.20 1.85
+NN3A 0.0 -0.20 1.85
+NN3G 0.0 -0.20 1.85
+NN3I 0.0 -0.20 1.85
+NN4 0.0 -0.20 1.85
+NN5 0.0 -0.20 1.85
+NN6 0.0 -0.20 1.85
+!
+ON1 0.0 -0.1200 1.70
+ON1C 0.0 -0.1200 1.70
+ON2 0.0 -0.1521 1.77
+ON2B 0.0 -0.1521 1.77 !(see toppar_tyr_ser_thr_phosphate.str)
+ON3 0.0 -0.1200 1.70
+ON4 0.0 -0.1521 1.77
+ON5 0.0 -0.1521 1.77
+ON6 0.0 -0.1521 1.77
+ON6B 0.0 -0.1521 1.77
+OT 0.0 -0.1521 1.7682 ! TIP3P
+!
+! base ring C vdw param, 11/14/97, adm jr
+CN1 0.0 -0.10 1.9000
+CN1A 0.0 -0.07 2.0000 ! nad/ppi, jjp1/adm jr. (protein CC)
+CN1T 0.0 -0.10 1.9000
+CN2 0.0 -0.10 1.9000
+CN3 0.0 -0.09 1.9000
+CN3A 0.0 -0.18 1.8000 ! nad/ppi, jjp1/adm jr.
+CN3B 0.0 -0.18 1.8000 ! nad/ppi, jjp1/adm jr.
+CN3C 0.0 -0.18 1.8000 ! nad/ppi, jjp1/adm jr.
+CN3D 0.0 -0.09 1.9000 ! 5mc, adm jr.
+CN3T 0.0 -0.09 1.9000 ! T, adm jr.
+CN4 0.0 -0.075 1.9000
+CN5 0.0 -0.075 1.9000
+CN5G 0.0 -0.075 1.9000
+CN7 0.0 -0.02 2.275 0.0 -0.01 1.90 !equivalent to protein CT1
+CN7B 0.0 -0.02 2.275 0.0 -0.01 1.90 !equivalent to protein CT1
+CN7C 0.0 -0.02 2.275 0.0 -0.01 1.90 !equivalent to protein CT1
+CN7D 0.0 -0.02 2.275 0.0 -0.01 1.90 !equivalent to protein CT1
+! alkane optimized terms below, Yin and MacKerell, 1998, JCC, In press
+CN8 0.0 -0.0560 2.010 0.0 -0.01 1.90 !
+CN8B 0.0 -0.0560 2.010 0.0 -0.01 1.90 !
+CN9 0.0 -0.0780 2.040 0.0 -0.01 1.90 !
+!
+CNE1 0.0 -0.068 2.09 ! alkene, yin,adm jr., 12/95
+CNE2 0.0 -0.064 2.08 ! alkene, yin,adm jr., 12/95
+CNA 0.0 -0.07 1.9924 !benzene (JES)
+CNA2 0.0 -0.07 1.90 !dft, adm jr.
+!
+!carbocyclic sugars (see toppar_all27_na_carbocyclic.str)
+CN6 0.0 -0.02 2.275 0.0 -0.01 1.90 !equivalent to protein CT1
+CN7E 0.0 -0.02 2.275 0.0 -0.01 1.90 !equivalent to protein CT1
+!
+FN1 0.0 -0.09 1.70 !aliphatic F preliminary from Yin Thesis
+ !see toppar_all22_prot_fluoro_alkane.str for better parameters
+FNA 0.0 -0.12 1.70 !aromatic F, 1,3-difluorobenzene pure solvent
+!
+P 0.0 -0.585 2.15
+P2 0.0 -0.585 2.15 ! nad/ppi, jjp1/adm jr. (see toppar_all27_na_nad_ppi.str)
+P3 0.0 -0.585 2.15 ! for PPI2, adm jr. (see toppar_all27_na_nad_ppi.str)
+!
+!-------------- for imidazole --------------
+CPH1 0.000000 -0.050000 1.800000 ! From imidazole (NF)
+CPH2 0.000000 -0.050000 1.800000 ! From imidazole (NF)
+NR1 0.000000 -0.200000 1.850000 ! From imidazole (NF)
+NR2 0.000000 -0.200000 1.850000 ! From imidazole (NF)
+HR3 0.000000 -0.007800 1.468000 ! From imidazole (NF)
+HR1 0.000000 -0.046000 0.900000 ! From imidazole (NF)
+!
+! ions
+SOD 0.0 -0.0469 1.36375 ! sodium
+ ! D. Beglovd and B. Roux, dA=-100.8 kcal/mol
+POT 0.0 -0.0870 1.76375 ! potassium
+ ! D. Beglovd and B. Roux, dA=-82.36+2.8 = -79.56 kca/mol
+CLA 0.0 -0.150 2.27 ! chloride
+ ! D. Beglovd and B. Roux, dA=-83.87+4.46 = -79.40 kcal/mol
+CAL 0.0 -0.120 1.367 ! Calcium
+ ! S. Marchand and B. Roux, dA = -384.8 kcal/mol
+MG 0.0 -0.0150 1.18500 ! Magnesium
+ ! B. Roux dA = -441.65
+CES 0.0 -0.1900 2.100
+ ! Cesium, so far untested.
+ZN 0.0 -0.250000 1.090000 !
+ ! RHS March 18, 1990
+DUM 0.0 -0.000 1.00 ! dummy atom
+
+NBFIX
+! Emin Rmin
+! (kcal/mol) (A)
+!
+
+HBOND CUTHB 0.5 ! If you want to do hbond analysis (only), then use
+ ! READ PARAM APPEND CARD
+ ! to append hbond parameters from the file: par_hbond.inp
+
+END
diff --git a/tools/ch2lmp/example/top_all27_na.rtf b/tools/ch2lmp/example/top_all27_na.rtf
new file mode 100755
index 0000000000..bd80c2ee1d
--- /dev/null
+++ b/tools/ch2lmp/example/top_all27_na.rtf
@@ -0,0 +1,939 @@
+* \\\\ CHARMM27 All-Hydrogen Nucleic Acid Topology File ////
+* \\\\\\\\\\\\\\\\\\ Developmental ////////////////////////
+* Alexander D. MacKerell Jr. and Nicolas Foloppe
+* December, 2003
+* All comments to ADM jr. via the CHARMM web site: www.charmm.org
+* parameter set discussion forum
+*
+27 1
+
+! model componds moved to toppar_all27_na_model.str
+
+! NAD, ATP, PPI and related compounds moved to toppar_all27_na_nad_ppi.str
+
+! base modification residues and patches moved to toppar_all27_na_base_modifications.str
+
+!
+!references
+!
+!NUCLEIC ACIDS
+!
+!Foloppe, N. and MacKerell, Jr., A.D. "All-Atom Empirical Force Field for
+!Nucleic Acids: 2) Parameter Optimization Based on Small Molecule and
+!Condensed Phase Macromolecular Target Data. 2000, 21: 86-104.
+!
+!and
+!
+!MacKerell, Jr., A.D. and Banavali, N. "All-Atom Empirical Force Field for
+!Nucleic Acids: 2) Application to Molecular Dynamics Simulations of DNA
+!and RNA in Solution. 2000, 21: 105-120.
+!
+
+MASS 1 HT 1.008000 H ! TIPS3P WATER HYDROGEN
+MASS 2 HN1 1.008000 H ! Nucleic acid amine proton
+MASS 3 HN2 1.008000 H ! Nucleic acid ring nitrogen proton
+MASS 4 HN3 1.008000 H ! Nucleic acid aromatic carbon proton
+MASS 5 HN3B 1.008000 H ! NAD+ aromatic hydrogen
+MASS 6 HN3C 1.008000 H ! Standard aromatic hydrogen (as in benzene)
+MASS 7 HNP 1.008000 H ! pure aromatic H
+MASS 8 HN4 1.008000 H ! Nucleic acid phosphate hydroxyl proton
+MASS 9 HN5 1.008000 H ! Nucleic acid ribose hydroxyl proton
+MASS 10 HN6 1.008000 H ! Nucleic acid ribose aliphatic proton
+MASS 11 HN7 1.008000 H ! Nucleic acid proton (equivalent to protein HA)
+MASS 12 HN8 1.008000 H ! Bound to CN8 in nucleic acids/model compounds
+MASS 13 HN9 1.008000 H ! Bound to CN9 in nucleic acids/model compounds
+MASS 14 HNE1 1.008000 H ! for alkene; RHC=CR (modified thy patch Sasha)
+MASS 15 HNE2 1.008000 H ! for alkene; H2C=CR (modified thy patch Sasha)
+MASS 20 CN1 12.011000 C ! Nucleic acid carbonyl carbon
+MASS 21 CN1A 12.011000 C ! NAD+/NADH amide carbonyl carbon
+MASS 22 CN1T 12.011000 C ! Nucleic acid carbonyl carbon (T/U C2)
+MASS 23 CN2 12.011000 C ! Nucleic acid aromatic carbon to amide
+MASS 24 CN3 12.011000 C ! Nucleic acid aromatic carbon
+MASS 25 CN3A 12.011000 C ! NAD+ aromatic carbon
+MASS 26 CN3B 12.011000 C ! NAD+ aromatic carbon
+MASS 27 CN3C 12.011000 C ! NADH aromatic carbon
+MASS 28 CN3D 12.011000 C ! Nucleic acid aromatic carbon for 5MC
+MASS 29 CN3T 12.011000 C ! Nucleic acid aromatic carbon, Thy C5
+MASS 30 CN4 12.011000 C ! Nucleic acid purine C8 and ADE C2
+MASS 31 CN5 12.011000 C ! Nucleic acid purine C4 and C5
+MASS 32 CN5G 12.011000 C ! Nucleic acid guanine C5
+MASS 33 CN7 12.011000 C ! Nucleic acid carbon (equivalent to protein CT1)
+MASS 34 CN7B 12.011000 C ! Nucleic acid aliphatic carbon for C1'
+MASS 35 CN7C 12.011000 C ! C2' in arabinose
+MASS 36 CN7D 12.011000 C ! C2' in nucleic acids fluorine derivatives
+MASS 37 CN8 12.011000 C ! Nucleic acid carbon (equivalent to protein CT2)
+MASS 38 CN8B 12.011000 C ! Nucleic acid carbon (equivalent to protein CT2)
+MASS 39 CN9 12.011000 C ! Nucleic acid carbon (equivalent to protein CT3)
+MASS 40 CNE1 12.011000 C ! for alkene; RHC=CR (modified thy patch Sasha)
+MASS 41 CNE2 12.011000 C ! for alkene; H2C=CR (modified thy patch Sasha)
+MASS 42 CNA 12.011000 C ! pure aromatic carbon
+MASS 43 CNA2 12.011000 C ! pure aromatic carbon bound to F
+MASS 44 CN6 12.011000 C ! carbocyclic sugar (see toppar_all27_na_carbocyclic.str)
+MASS 45 CN7E 12.011000 C ! carbocyclic sugar (see toppar_all27_na_carbocyclic.str)
+MASS 50 NN1 14.007000 N ! Nucleic acid amide nitrogen
+MASS 51 NN1C 14.007000 N ! Nucleic acid imino nitrogen (cyt taut Sasha)
+MASS 52 NN2 14.007000 N ! Nucleic acid protonated ring nitrogen
+MASS 53 NN2B 14.007000 N ! From NN2, for N9 in GUA different from ADE
+MASS 54 NN2C 14.007000 N ! Nucleic acid protonated ring nitrogen (cyt taut Sasha)
+MASS 55 NN2U 14.007000 N ! Nucleic acid protonated ring nitrogen, ura N3
+MASS 56 NN2G 14.007000 N ! Nucleic acid protonated ring nitrogen, gua N1
+MASS 57 NN3 14.007000 N ! Nucleic acid unprotonated ring nitrogen
+MASS 58 NN3A 14.007000 N ! Nucleic acid unprotonated ring nitrogen, ade N1 and N3
+MASS 59 NN3I 14.007000 N ! Nucleic acid unprotonated ring nitrogen, inosine N3
+MASS 60 NN3G 14.007000 N ! Nucleic acid unprotonated ring nitrogen, gua N3
+MASS 61 NN4 14.007000 N ! Nucleic acid purine N7
+MASS 62 NN5 14.007000 N ! Nucleic acid sp2 amine nitrogen
+MASS 63 NN6 14.007000 N ! Nucleic acid sp3 amine nitrogen (equiv to protein nh3)
+MASS 70 OT 15.999400 O ! TIPS3P WATER OXYGEN
+MASS 71 ON1 15.999400 O ! Nucleic acid carbonyl oxygen
+MASS 72 ON1C 15.999400 O ! Nucleic acid carbonyl oxygen, cyt O2
+MASS 73 ON2 15.999400 O ! Nucleic acid phosphate ester oxygen
+MASS 74 ON3 15.999400 O ! Nucleic acid =O in phosphate
+MASS 75 ON4 15.999400 O ! Nucleic acid phosphate hydroxyl oxygen
+MASS 76 ON5 15.999400 O ! Nucleic acid ribose hydroxyl oxygen
+MASS 77 ON6 15.999400 O ! Nucleic acid deoxyribose ring oxygen
+MASS 78 ON6B 15.999400 O ! Nucleic acid ribose ring oxygen
+MASS 79 ON2B 15.999400 O ! Nucleic acid phosphate ester oxygen (pres tp1/tp2, toppar_tyr_ser_thr_phosphate.str)
+MASS 80 FN1 18.998400 F ! Fluorine for sugar derivatives (NF)
+MASS 81 FNA 18.998400 F ! Aromatic fluorine
+MASS 82 P 30.974000 P ! phosphorus
+MASS 83 P2 30.974000 P ! pyrophosphate phosphorus (see toppar_all27_na_nad_ppi.str)
+MASS 84 P3 30.974000 P ! protonated pyrophosphate phosphorus (see toppar_all27_na_nad_ppi.str)
+MASS 90 SOD 22.989770 NA ! Sodium Ion
+MASS 91 MG 24.305000 MG ! Magnesium Ion
+MASS 92 POT 39.102000 K ! Potassium Ion! check masses
+MASS 93 CES 132.900000 CS ! Cesium Ion
+MASS 94 CAL 40.080000 CA ! Calcium Ion
+MASS 95 CLA 35.450000 CL ! Chloride Ion
+MASS 96 ZN 65.370000 ZN ! zinc (II) cation
+MASS 99 DUM 0.001 H ! dummy atom
+MASS 102 CPH1 12.011000 C ! For imidazole model compound (NF)
+MASS 103 CPH2 12.011000 C ! For imidazole model compound (NF)
+MASS 104 HR3 1.008000 H ! For imidazole model compound (NF)
+MASS 105 HR1 1.008000 H ! For imidazole model compound (NF)
+MASS 106 NR1 14.007000 H ! For nitrogen in imidazol (NF)
+MASS 107 NR2 14.007000 H ! For nitrogen in imidazol (NF)
+
+DECL +P
+DECL +O1P
+DECL +O2P
+DECL +O5'
+DECL -O3'
+
+DEFA FIRS none LAST none
+AUTOGENERATE ANGLES DIHEDRALS
+
+RESI GUA -1.00 ! O6
+ATOM P P 1.50 ! ||
+ATOM O1P ON3 -0.78 ! C6
+ATOM O2P ON3 -0.78 ! / \
+ATOM O5' ON2 -0.57 ! H1-N1 C5--N7\\
+ATOM C5' CN8B -0.08 ! | || C8-H8
+ATOM H5' HN8 0.09 ! C2 C4--N9/
+ATOM H5'' HN8 0.09 ! / \\ / \
+GROUP ! H21-N2 N3 \
+ATOM C4' CN7 0.16 ! | \
+ATOM H4' HN7 0.09 ! H22 \
+ATOM O4' ON6B -0.50 ! \
+ATOM C1' CN7B 0.16 ! O1P H5' H4' O4' \
+ATOM H1' HN7 0.09 ! | | \ / \ \
+GROUP ! -P-O5'-C5'---C4' C1'
+ATOM N9 NN2B -0.02 ! | | \ / \
+ATOM C4 CN5 0.26 ! O2P H5'' C3'--C2' H1'
+ATOM N2 NN1 -0.68 ! / \ / \
+ATOM H21 HN1 0.32 ! O3' H3' O2' H2''
+ATOM H22 HN1 0.35 ! | |
+ATOM N3 NN3G -0.74 ! H2'
+ATOM C2 CN2 0.75
+ATOM N1 NN2G -0.34
+ATOM H1 HN2 0.26
+ATOM C6 CN1 0.54
+ATOM O6 ON1 -0.51
+ATOM C5 CN5G 0.00
+ATOM N7 NN4 -0.60
+ATOM C8 CN4 0.25
+ATOM H8 HN3 0.16
+GROUP
+ATOM C2' CN7B 0.14
+ATOM H2'' HN7 0.09
+ATOM O2' ON5 -0.66
+ATOM H2' HN5 0.43
+GROUP
+ATOM C3' CN7 0.01
+ATOM H3' HN7 0.09
+ATOM O3' ON2 -0.57
+BOND P O1P P O2P P O5'
+BOND O5' C5' C5' C4' C4' O4' C4' C3' O4' C1'
+BOND C1' N9 C1' C2' N9 C4 N9 C8 C4 N3
+BOND C2 N2 C2 N1 N2 H21
+BOND N2 H22 N1 H1 N1 C6 C6 C5
+BOND C5 N7 C2' C3' C3' O3' O3' +P
+BOND C2' O2' O2' H2'
+BOND C1' H1' C2' H2'' C3' H3' C4' H4' C5' H5'
+BOND C5' H5'' C8 H8
+DOUBLE C2 N3 C4 C5 N7 C8 C6 O6
+IMPR C2 N3 N1 N2 C6 N1 C5 O6 N2 H21 C2 H22
+DONO H21 N2
+DONO H22 N2
+DONO H1 N1
+DONO H2' O2'
+ACCE O6 C6
+ACCE N3
+ACCE N7
+ACCE O1P P
+ACCE O2P P
+ACCE O2'
+ACCE O3'
+ACCE O4'
+ACCE O5'
+! Chi and sugar-phosphate backbone in B-DNA like conformation
+BILD -O3' P O5' C5' 1.6001 101.45 -46.90 119.00 1.4401 !alpha
+BILD -O3' O5' *P O1P 1.6001 101.45 -115.82 109.74 1.4802
+BILD -O3' O5' *P O2P 1.6001 101.45 115.90 109.80 1.4801
+BILD P O5' C5' C4' 1.5996 119.00 -146.00 110.04 1.5160 !beta
+BILD O5' C5' C4' C3' 1.4401 108.83 60.00 116.10 1.5284 !gamma
+BILD C5' C4' C3' O3' 1.5160 116.10 140.00 115.12 1.4212 !delta
+BILD C4' C3' O3' +P 1.5284 111.92 155.00 119.05 1.6001 !epsilon
+BILD C3' O3' +P +O5' 1.4212 119.05 -95.20 101.45 1.5996 !zeta
+BILD O4' C3' *C4' C5' 1.4572 104.06 -120.04 116.10 1.5160
+BILD C2' C4' *C3' O3' 1.5284 100.16 -124.08 115.12 1.4212
+BILD C4' C3' C2' C1' 1.5284 100.16 -30.00 102.04 1.5251 !puck
+BILD C3' C2' C1' N9 1.5284 101.97 147.80 113.71 1.4896
+BILD O4' C1' N9 C4 1.5251 113.71 -97.2 125.59 1.3783 !chi
+BILD C1' C4 *N9 C8 1.4896 125.59 -179.99 106.0 1.374
+BILD C4 N9 C8 N7 1.377 106.0 0.0 113.5 1.304
+BILD C8 N9 C4 C5 1.374 106.0 0.0 105.6 1.377
+BILD N9 C5 *C4 N3 1.377 105.6 180.0 128.4 1.355
+BILD C5 C4 N3 C2 1.377 128.4 0.0 111.8 1.327
+BILD C4 N3 C2 N1 1.355 111.8 0.0 124.0 1.375
+BILD N1 N3 *C2 N2 1.375 124.0 180.0 119.7 1.341
+BILD N3 C2 N2 H21 1.327 119.7 180.0 127.0 1.01
+BILD H21 C2 *N2 H22 1.01 127.0 -180.0 116.5 1.01
+BILD N3 C2 N1 C6 1.327 124.0 0.0 124.9 1.393
+BILD C6 C2 *N1 H1 1.393 124.9 180.0 117.4 1.03
+BILD C5 N1 *C6 O6 1.415 111.7 180.0 120.0 1.239
+BILD N9 N7 *C8 H8 0.0 0.0 180.0 0.0 0.0
+BILD C1' C3' *C2' O2' 1.5284 102.04 -114.67 110.81 1.4212
+BILD H2' O2' C2' C3' 0.9600 114.97 148.63 111.92 1.5284
+BILD O4' C2' *C1' H1' 0.0 0.0 -115.0 0.0 0.0
+BILD C1' C3' *C2' H2'' 0.0 0.0 115.0 0.0 0.0
+BILD C2' C4' *C3' H3' 0.0 0.0 115.0 0.0 0.0
+BILD C3' O4' *C4' H4' 0.0 0.0 -115.0 0.0 0.0
+BILD C4' O5' *C5' H5' 0.0 0.0 -115.0 0.0 0.0
+BILD C4' O5' *C5' H5'' 0.0 0.0 115.0 0.0 0.0
+
+
+RESI ADE -1.00 ! H61 H62!
+ATOM P P 1.50 ! \ /
+ATOM O1P ON3 -0.78 ! N6
+ATOM O2P ON3 -0.78 ! |
+ATOM O5' ON2 -0.57 ! C6
+ATOM C5' CN8B -0.08 ! // \
+ATOM H5' HN8 0.09 ! N1 C5--N7\\
+ATOM H5'' HN8 0.09 ! | || C8-H8
+GROUP ! C2 C4--N9/
+ATOM C4' CN7 0.16 ! / \\ / \
+ATOM H4' HN7 0.09 ! H2 N3 \
+ATOM O4' ON6B -0.50 ! \
+ATOM C1' CN7B 0.16 ! \
+ATOM H1' HN7 0.09 ! \
+GROUP ! O1P H5' H4' O4' \
+ATOM N9 NN2 -0.05 ! | | \ / \ \
+ATOM C5 CN5 0.28 ! -P-O5'-C5'---C4' C1'
+ATOM N7 NN4 -0.71 ! | | \ / \
+ATOM C8 CN4 0.34 ! O2P H5'' C3'--C2' H1'
+ATOM H8 HN3 0.12 ! / \ / \
+ATOM N1 NN3A -0.74 ! O3' H3' O2' H2''
+ATOM C2 CN4 0.50 ! | |
+ATOM H2 HN3 0.13 ! H2'
+ATOM N3 NN3A -0.75
+ATOM C4 CN5 0.43
+ATOM C6 CN2 0.46
+ATOM N6 NN1 -0.77
+ATOM H61 HN1 0.38
+ATOM H62 HN1 0.38
+GROUP
+ATOM C2' CN7B 0.14
+ATOM H2'' HN7 0.09
+ATOM O2' ON5 -0.66
+ATOM H2' HN5 0.43
+GROUP
+ATOM C3' CN7 0.01
+ATOM H3' HN7 0.09
+ATOM O3' ON2 -0.57
+BOND P O1P P O2P P O5'
+BOND O5' C5' C5' C4' C4' O4' C4' C3' O4' C1'
+BOND C1' N9 C1' C2' N9 C4 N9 C8 C4 N3
+BOND C2 N1 C6 N6
+BOND N6 H61 N6 H62 C6 C5 C5 N7
+BOND C2' C3' C2' O2' O2' H2' C3' O3' O3' +P
+BOND C1' H1' C2' H2'' C3' H3' C4' H4' C5' H5'
+BOND C5' H5'' C8 H8 C2 H2
+DOUBLE N1 C6 C2 N3 C4 C5 N7 C8
+IMPR N6 C6 H61 H62 C6 N1 C5 N6
+DONO H61 N6
+DONO H62 N6
+DONO H2' O2'
+ACCE N3
+ACCE N7
+ACCE N1
+ACCE O1P P
+ACCE O2P P
+ACCE O2'
+ACCE O3'
+ACCE O4'
+ACCE O5'
+BILD -O3' P O5' C5' 1.6001 101.45 -46.90 119.00 1.4401 !alpha
+BILD -O3' O5' *P O1P 1.6001 101.45 -115.82 109.74 1.4802
+BILD -O3' O5' *P O2P 1.6001 101.45 115.90 109.80 1.4801
+BILD P O5' C5' C4' 1.5996 119.00 -146.00 110.04 1.5160 !beta
+BILD O5' C5' C4' C3' 1.4401 108.83 60.00 116.10 1.5284 !gamma
+BILD C5' C4' C3' O3' 1.5160 116.10 140.00 115.12 1.4212 !delta
+BILD C4' C3' O3' +P 1.5284 111.92 155.00 119.05 1.6001 !epsilon
+BILD C3' O3' +P +O5' 1.4212 119.05 -95.20 101.45 1.5996 !zeta
+BILD O4' C3' *C4' C5' 1.4572 104.06 -120.04 116.10 1.5160
+BILD C2' C4' *C3' O3' 1.5284 100.16 -124.08 115.12 1.4212
+BILD C4' C3' C2' C1' 1.5284 100.16 -30.00 102.04 1.5251 !puck
+BILD C3' C2' C1' N9 1.5284 101.97 147.80 113.71 1.4896
+BILD O4' C1' N9 C4 1.5251 113.71 -97.2 125.59 1.3783 !chi
+BILD C1' C4 *N9 C8 1.4896 125.97 -179.94 106.0 1.367
+BILD C4 N9 C8 N7 1.376 106.0 0.0 113.6 1.312
+BILD C8 N9 C4 C5 1.367 106.0 0.0 105.6 1.382
+BILD C8 N7 C5 C6 0.0 0.0 180.0 0.0 0.0
+BILD N7 C5 C6 N1 0.0 0.0 180.0 0.0 0.0
+BILD C5 C6 N1 C2 0.0 0.0 0.0 0.0 0.0
+BILD N9 C5 *C4 N3 1.376 105.6 -180.0 126.9 1.342
+BILD C5 N1 *C6 N6 1.409 117.6 -180.0 121.2 1.337
+BILD N1 C6 N6 H61 1.337 121.2 0.0 119.0 1.01
+BILD H61 C6 *N6 H62 1.01 119.0 180.0 119.00 1.01
+BILD C5 N1 *C6 N6 1.409 117.6 -180.0 119.0 1.337
+BILD N1 C6 N6 H61 1.337 119.0 0.0 119.0 1.01
+BILD H61 C6 *N6 H62 1.01 119.0 180.0 121.00 1.01
+BILD N9 N7 *C8 H8 0.0 0.0 180.0 0.0 0.0
+BILD N1 N3 *C2 H2 0.0 0.0 180.0 0.0 0.0
+BILD C1' C3' *C2' O2' 1.5284 102.04 -114.67 110.81 1.4212
+BILD H2' O2' C2' C3' 0.9600 114.97 148.63 111.92 1.5284
+BILD O4' C2' *C1' H1' 0.0 0.0 -115.0 0.0 0.0
+BILD C1' C3' *C2' H2'' 0.0 0.0 115.0 0.0 0.0
+BILD C2' C4' *C3' H3' 0.0 0.0 115.0 0.0 0.0
+BILD C3' O4' *C4' H4' 0.0 0.0 -115.0 0.0 0.0
+BILD C4' O5' *C5' H5' 0.0 0.0 -115.0 0.0 0.0
+BILD C4' O5' *C5' H5'' 0.0 0.0 115.0 0.0 0.0
+
+RESI CYT -1.00
+ATOM P P 1.50 !
+ATOM O1P ON3 -0.78 ! H42 H41
+ATOM O2P ON3 -0.78 ! \ /
+ATOM O5' ON2 -0.57 ! N4
+ATOM C5' CN8B -0.08 ! |
+ATOM H5' HN8 0.09 ! C4
+ATOM H5'' HN8 0.09 ! / \\
+GROUP ! H5-C5 N3
+ATOM C4' CN7 0.16 ! || |
+ATOM H4' HN7 0.09 ! H6-C6 C2
+ATOM O4' ON6B -0.50 ! \ / \\
+ATOM C1' CN7B 0.16 ! N1 O2
+ATOM H1' HN7 0.09 ! \
+GROUP ! \
+ATOM N1 NN2 -0.13 ! \
+ATOM C6 CN3 0.05 ! O1P H5' H4' O4' \
+ATOM H6 HN3 0.17 ! | | \ / \ \
+ATOM C5 CN3 -0.13 ! -P-O5'-C5'---C4' C1'
+ATOM H5 HN3 0.07 ! | | \ / \
+ATOM C2 CN1 0.52 ! O2P H5'' C3'--C2' H1'
+ATOM O2 ON1C -0.49 ! / \ / \
+ATOM N3 NN3 -0.66 ! O3' H3' O2' H2''
+ATOM C4 CN2 0.65 ! | |
+ATOM N4 NN1 -0.75 ! H2'
+ATOM H41 HN1 0.37
+ATOM H42 HN1 0.33
+GROUP
+ATOM C2' CN7B 0.14
+ATOM H2'' HN7 0.09
+ATOM O2' ON5 -0.66
+ATOM H2' HN5 0.43
+GROUP
+ATOM C3' CN7 0.01
+ATOM H3' HN7 0.09
+ATOM O3' ON2 -0.57
+BOND P O1P P O2P P O5'
+BOND O5' C5' C5' C4' C4' O4' C4' C3' O4' C1'
+BOND C1' N1 C1' C2' N1 C2 N1 C6
+BOND C2 N3 C4 N4 N4 H41 N4 H42
+BOND C4 C5 C2' C3' C3' O3' O3' +P
+BOND C2' O2' O2' H2'
+BOND C1' H1' C2' H2'' C3' H3' C4' H4' C5' H5'
+BOND C5' H5'' C5 H5 C6 H6
+DOUBLE C2 O2 C5 C6 N3 C4
+IMPR C2 N1 N3 O2 C4 N3 C5 N4
+IMPR N4 C4 H41 H42
+DONO H42 N4
+DONO H2' O2'
+DONO H41 N4
+ACCE O2 C2
+ACCE N3
+ACCE O1P P
+ACCE O2P P
+ACCE O2'
+ACCE O3'
+ACCE O4'
+ACCE O5'
+
+BILD -O3' P O5' C5' 1.6001 101.45 -46.90 119.00 1.4401 !alpha
+BILD -O3' O5' *P O1P 1.6001 101.45 -115.82 109.74 1.4802
+BILD -O3' O5' *P O2P 1.6001 101.45 115.90 109.80 1.4801
+BILD P O5' C5' C4' 1.5996 119.00 -146.00 110.04 1.5160 !beta
+BILD O5' C5' C4' C3' 1.4401 108.83 60.00 116.10 1.5284 !gamma
+BILD C5' C4' C3' O3' 1.5160 116.10 140.00 115.12 1.4212 !delta
+BILD C4' C3' O3' +P 1.5284 111.92 155.00 119.05 1.6001 !epsilon
+BILD C3' O3' +P +O5' 1.4212 119.05 -95.20 101.45 1.5996 !zeta
+BILD O4' C3' *C4' C5' 1.4572 104.06 -120.04 116.10 1.5160
+BILD C2' C4' *C3' O3' 1.5284 100.16 -124.08 115.12 1.4212
+BILD C4' C3' C2' C1' 1.5284 100.16 -30.00 102.04 1.5251
+BILD C3' C2' C1' N1 1.5284 101.97 147.89 113.71 1.4896
+BILD O4' C1' N1 C2 1.5251 113.71 -97.2 125.59 1.3783 !chi
+BILD C1' C2 *N1 C6 1.4896 117.79 -180.00 120.6 1.364
+BILD C2 N1 C6 C5 1.399 120.6 0.0 121.0 1.337
+BILD C6 N1 C2 N3 1.364 120.6 0.0 118.9 1.356
+BILD N1 N3 *C2 O2 1.399 118.9 180.0 121.9 1.237
+BILD N1 C2 N3 C4 1.399 118.9 0.0 120.0 1.334
+BILD C5 N3 *C4 N4 1.426 121.8 180.00 118.9 1.337
+BILD N3 C4 N4 H41 1.337 117.9 0.00 118.9 1.01
+BILD H41 C4 *N4 H42 1.01 118.9 180.00 120.7 1.01
+BILD C6 C4 *C5 H5 0.0 0.0 180.0 0.0 0.0
+BILD N1 C5 *C6 H6 0.0 0.0 180.0 0.0 0.0
+BILD C1' C3' *C2' O2' 1.5284 102.04 -114.67 110.81 1.4212
+BILD H2' O2' C2' C3' 0.9600 114.97 148.63 111.92 1.5284
+BILD O4' C2' *C1' H1' 0.0 0.0 -115.0 0.0 0.0
+BILD C1' C3' *C2' H2'' 0.0 0.0 115.0 0.0 0.0
+BILD C2' C4' *C3' H3' 0.0 0.0 115.0 0.0 0.0
+BILD C3' O4' *C4' H4' 0.0 0.0 -115.0 0.0 0.0
+BILD C4' O5' *C5' H5' 0.0 0.0 -115.0 0.0 0.0
+BILD C4' O5' *C5' H5'' 0.0 0.0 115.0 0.0 0.0
+
+RESI THY -1.00 ! H51 O4
+ATOM P P 1.50 ! | ||
+ATOM O1P ON3 -0.78 ! H52-C5M C4 H3
+ATOM O2P ON3 -0.78 ! | \ / \ /
+ATOM O5' ON2 -0.57 ! H53 C5 N3
+ATOM C5' CN8B -0.08 ! || |
+ATOM H5' HN8 0.09 ! H6-C6 C2
+ATOM H5'' HN8 0.09 ! \ / \\
+GROUP ! N1 O2
+ATOM C4' CN7 0.16 ! \
+ATOM H4' HN7 0.09 ! \
+ATOM O4' ON6B -0.50 ! \
+ATOM C1' CN7B 0.16 ! O1P H5' H4' O4' \
+ATOM H1' HN7 0.09 ! | | \ / \ \
+GROUP ! -P-O5'-C5'---C4' C1'
+ATOM N1 NN2B -0.34 ! | | \ / \
+ATOM C6 CN3 0.17 ! O2P H5'' C3'--C2' H1'
+ATOM H6 HN3 0.17 ! / \ / \
+ATOM C2 CN1T 0.51 ! O3' H3' O2' H2''
+ATOM O2 ON1 -0.41 ! | |
+ATOM N3 NN2U -0.46 ! H2'
+ATOM H3 HN2 0.36 !
+ATOM C4 CN1 0.50 !
+ATOM O4 ON1 -0.45 !
+ATOM C5 CN3T -0.15
+ATOM C5M CN9 -0.11
+ATOM H51 HN9 0.07
+ATOM H52 HN9 0.07
+ATOM H53 HN9 0.07
+GROUP
+ATOM C2' CN7B 0.14
+ATOM H2'' HN7 0.09
+ATOM O2' ON5 -0.66
+ATOM H2' HN5 0.43
+GROUP
+ATOM C3' CN7 0.01
+ATOM H3' HN7 0.09
+ATOM O3' ON2 -0.57
+BOND P O1P P O2P P O5'
+BOND O5' C5' C5' C4' C4' O4' C4' C3' O4' C1'
+BOND C1' N1 C1' C2' N1 C2 N1 C6
+BOND C2 N3 N3 H3 N3 C4 C4 C5
+BOND C5 C5M C2' C3' C3' O3' O3' +P
+BOND C2' O2' O2' H2'
+BOND C1' H1' C2' H2'' C3' H3' C4' H4' C5' H5'
+BOND C5' H5'' C6 H6 C5M H51 C5M H52 C5M H53
+DOUBLE C2 O2 C4 O4 C5 C6
+IMPR C2 N1 N3 O2 C4 N3 C5 O4 C5 C4 C6 C5M
+DONO H3 N3
+DONO H2' O2'
+ACCE O2 C2
+ACCE O4 C4
+ACCE O1P P
+ACCE O2P P
+ACCE O2'
+ACCE O3'
+ACCE O4'
+ACCE O5'
+
+BILD -O3' P O5' C5' 1.6001 101.45 -46.90 119.00 1.4401 !alpha
+BILD -O3' O5' *P O1P 1.6001 101.45 -115.82 109.74 1.4802
+BILD -O3' O5' *P O2P 1.6001 101.45 115.90 109.80 1.4801
+BILD P O5' C5' C4' 1.5996 119.00 -146.00 110.04 1.5160 !beta
+BILD O5' C5' C4' C3' 1.4401 108.83 60.00 116.10 1.5284
+BILD C5' C4' C3' O3' 1.5160 116.10 140.00 115.12 1.4212
+BILD C4' C3' O3' +P 1.5284 111.92 155.00 119.05 1.6001
+BILD C3' O3' +P +O5' 1.4212 119.05 -95.20 101.45 1.5996
+BILD O4' C3' *C4' C5' 1.4572 104.06 -120.04 116.10 1.5160
+BILD C2' C4' *C3' O3' 1.5284 100.16 -124.08 115.12 1.4212
+BILD C4' C3' C2' C1' 1.5284 100.16 -30.00 102.04 1.5251
+BILD C3' C2' C1' N1 1.5284 101.97 147.89 113.71 1.4896
+BILD O4' C1' N1 C2 1.5251 113.71 -97.2 125.59 1.3783 !chi
+BILD C1' C2 *N1 C6 1.4896 117.06 -179.96 122.08 1.3704
+BILD C2 N1 C6 C5 1.3746 122.08 -0.02 121.23 1.3432
+BILD C6 N1 C2 N3 1.3704 122.08 0.06 115.38 1.3813
+BILD N1 N3 *C2 O2 1.3746 115.38 -179.95 121.70 1.2191
+BILD N1 C2 N3 C4 1.3746 115.38 -0.07 126.46 1.3795
+BILD C5 N3 *C4 O4 1.4439 114.07 179.98 120.59 1.2327
+BILD C2 C4 *N3 H3 1.3813 126.46 180.00 116.77 1.0900
+BILD C4 C6 *C5 C5M 1.4439 120.78 -179.94 121.63 1.5000
+BILD N1 C5 *C6 H6 0.0 0.0 180.0 0.0 0.0
+BILD C6 C5 C5M H51 0.0 0.0 0.0 0.0 0.0
+BILD C5 H51 *C5M H52 0.0 0.0 115.0 0.0 0.0
+BILD H51 H52 *C5M H53 0.0 0.0 -115.0 0.0 0.0
+BILD C1' C3' *C2' O2' 1.5284 102.04 -114.67 110.81 1.4212
+BILD H2' O2' C2' C3' 0.9600 114.97 148.63 111.92 1.5284
+BILD O4' C2' *C1' H1' 0.0 0.0 -115.0 0.0 0.0
+BILD C1' C3' *C2' H2'' 0.0 0.0 115.0 0.0 0.0
+BILD C2' C4' *C3' H3' 0.0 0.0 115.0 0.0 0.0
+BILD C3' O4' *C4' H4' 0.0 0.0 -115.0 0.0 0.0
+BILD C4' O5' *C5' H5' 0.0 0.0 -115.0 0.0 0.0
+BILD C4' O5' *C5' H5'' 0.0 0. 115.0 0.0 0.0
+
+RESI URA -1.00 ! O4
+ATOM P P 1.50 ! ||
+ATOM O1P ON3 -0.78 ! C4 H3
+ATOM O2P ON3 -0.78 ! / \ /
+ATOM O5' ON2 -0.57 ! H5-C5 N3
+ATOM C5' CN8B -0.08 ! || |
+ATOM H5' HN8 0.09 ! H6-C6 C2
+ATOM H5'' HN8 0.09 ! \ / \\
+GROUP ! N1 O2
+ATOM C4' CN7 0.16 ! \
+ATOM H4' HN7 0.09 ! \
+ATOM O4' ON6B -0.50 ! \
+ATOM C1' CN7B 0.16 ! O1P H5' H4' O4' \
+ATOM H1' HN7 0.09 ! | | \ / \ \
+GROUP ! -P-O5'-C5'---C4' C1'
+ATOM N1 NN2B -0.34 ! | | \ / \
+ATOM C6 CN3 0.20 ! O2P H5'' C3'--C2' H1'
+ATOM H6 HN3 0.14 ! / \ / \
+ATOM C2 CN1T 0.55 ! O3' H3' O2' H2''
+ATOM O2 ON1 -0.45 ! | |
+ATOM N3 NN2U -0.46 ! H2'
+ATOM H3 HN2 0.36 !
+ATOM C4 CN1 0.53 !
+ATOM O4 ON1 -0.48 !
+ATOM C5 CN3 -0.15 !
+ATOM H5 HN3 0.10 !
+GROUP
+ATOM C2' CN7B 0.14
+ATOM H2'' HN7 0.09
+ATOM O2' ON5 -0.66
+ATOM H2' HN5 0.43
+GROUP
+ATOM C3' CN7 0.01
+ATOM H3' HN7 0.09
+ATOM O3' ON2 -0.57
+BOND P O1P P O2P P O5'
+BOND O5' C5' C5' C4' C4' O4' C4' C3' O4' C1'
+BOND C1' N1 C1' C2' N1 C2 N1 C6
+BOND C2 N3 N3 H3 N3 C4 C4 C5
+BOND C2' C3' C3' O3' O3' +P
+BOND C2' O2' O2' H2'
+BOND C1' H1' C2' H2'' C3' H3' C4' H4' C5' H5'
+BOND C5' H5'' C5 H5 C6 H6
+DOUBLE C2 O2 C4 O4 C5 C6
+IMPR C2 N1 N3 O2 C4 N3 C5 O4
+DONO H3 N3
+DONO H2' O2'
+ACCE O2 C2
+ACCE O4 C4
+ACCE O1P P
+ACCE O2P P
+ACCE O2'
+ACCE O3'
+ACCE O4'
+ACCE O5'
+BILD -O3' P O5' C5' 1.6001 101.45 -39.25 119.00 1.4401
+BILD -O3' O5' *P O1P 1.6001 101.45 -115.82 109.74 1.4802
+BILD -O3' O5' *P O2P 1.6001 101.45 115.90 109.80 1.4801
+BILD P O5' C5' C4' 1.5996 119.00 -151.39 110.04 1.5160
+BILD O5' C5' C4' C3' 1.4401 108.83 -179.85 116.10 1.5284
+BILD C5' C4' C3' O3' 1.5160 116.10 76.70 115.12 1.4212
+BILD C4' C3' O3' +P 1.5284 111.92 159.13 119.05 1.6001
+BILD C3' O3' +P +O5' 1.4212 119.05 -98.86 101.45 1.5996
+BILD O4' C3' *C4' C5' 1.4572 104.06 -120.04 116.10 1.5160
+BILD C2' C4' *C3' O3' 1.5284 100.16 -124.08 115.12 1.4212
+BILD C4' C3' C2' C1' 1.5284 100.16 39.58 102.04 1.5251
+BILD C3' C2' C1' N1 1.5284 101.97 144.39 113.71 1.4896
+BILD O4' C1' N1 C2 1.5251 113.71 -96.0 117.06 1.3746
+BILD C1' C2 *N1 C6 1.4896 117.06 -180.0 121.3 1.379
+BILD C2 N1 C6 C5 1.379 121.3 0.0 122.8 1.338
+BILD C6 N1 C2 N3 1.380 121.3 0.0 114.8 1.373
+BILD N1 N3 *C2 O2 1.379 114.8 -180.0 122.0 1.218
+BILD N1 C2 N3 C4 1.379 114.8 0.0 127.0 1.383
+BILD C5 N3 *C4 O4 1.440 114.7 180.0 119.8 1.227
+BILD C2 C4 *N3 H3 1.373 127.0 180.0 116.5 1.03
+BILD C6 C4 *C5 H5 0.0 0.0 180.0 0.0 0.0
+BILD N1 C5 *C6 H6 0.0 0.0 180.0 0.0 0.0
+BILD C1' C3' *C2' O2' 1.5284 102.04 -114.67 110.81 1.4212
+BILD H2' O2' C2' C3' 0.9600 114.97 148.63 111.92 1.5284
+BILD O4' C2' *C1' H1' 0.0 0.0 -115.0 0.0 0.0
+BILD C1' C3' *C2' H2'' 0.0 0.0 115.0 0.0 0.0
+BILD C2' C4' *C3' H3' 0.0 0.0 115.0 0.0 0.0
+BILD C3' O4' *C4' H4' 0.0 0.0 -115.0 0.0 0.0
+BILD C4' O5' *C5' H5' 0.0 0.0 -115.0 0.0 0.0
+BILD C4' O5' *C5' H5'' 0.0 0.0 115.0 0.0 0.0
+
+! NOTE the option to regenerate all angles and dihedrals allows
+! the explicit inclusion of the THET and DIHE terms to be omitted
+! even if the PRES is used in a PATCH statement. It is important to
+! inspect the patches prior to use to determine if they should be used
+! in a GENErate or PATCh statement and/or if the AUTOgeneration of
+! angles and dihedrals is required.
+! see AUTOgen ANGLes DIHEdrals in STRUCTURE section of the
+! documentation
+
+PRES DEO1 0.000 ! Patch to make DEOXYribose in PYRIMIDINES
+DELETE ATOM O2' ! necessary due to auto-generate dihedrals
+
+GROUP ! To correct O4' atom type in DNA (NF)
+ATOM C4' CN7 0.16 !
+ATOM H4' HN7 0.09 !
+ATOM O4' ON6 -0.50 !
+ATOM C1' CN7B 0.16 !
+ATOM H1' HN7 0.09 !
+GROUP
+ATOM C2' CN8 -0.18
+ATOM H2' HN8 0.09
+ATOM H2'' HN8 0.09
+
+BOND C2' H2'
+THET C1' C2' H2' C3' C2' H2' H2' C2' H2''
+DIHE H2' C2' C1' O4' H2' C2' C1' N1 H2' C2' C1' H1'
+DIHE H2' C2' C3' C4' H2' C2' C3' O3' H2' C2' C3' H3'
+BILD C1' C3' *C2' H2' 0.0 0.0 -115.0 0.0 0.0
+
+PRES DEO2 0.000 ! Patch to make DEOXYribose in PURINES
+DELETE ATOM O2' ! necessary due to auto-generate dihedrals
+
+GROUP ! To correct O4' atom type in DNA (NF)
+ATOM C4' CN7 0.16 !
+ATOM H4' HN7 0.09 !
+ATOM O4' ON6 -0.50 !
+ATOM C1' CN7B 0.16 !
+ATOM H1' HN7 0.09 !
+GROUP
+ATOM C2' CN8 -0.18
+ATOM H2' HN8 0.09
+ATOM H2'' HN8 0.09
+
+BOND C2' H2'
+THET C1' C2' H2' C3' C2' H2' H2' C2' H2''
+DIHE H2' C2' C1' O4' H2' C2' C1' N9 H2' C2' C1' H1'
+DIHE H2' C2' C3' C4' H2' C2' C3' O3' H2' C2' C3' H3'
+BILD C1' C3' *C2' H2' 0.0 0.0 -115.0 0.0 0.0
+
+PRES 5TER 0.00 ! 5'-terminal HYDROXYL patch, from MeOH
+ ! use in generate statement
+GROUP
+ATOM H5T HN5 0.43
+ATOM O5' ON5 -0.66
+ATOM C5' CN8B 0.05
+ATOM H5' HN8 0.09
+ATOM H5'' HN8 0.09
+!
+DELETE ATOM P
+DELETE ATOM O1P
+DELETE ATOM O2P
+!
+BOND H5T O5'
+DONO H5T O5'
+BILD H5T O5' C5' C4' 0.0000 0.00 180.00 0.00 0.0000
+
+PRES 5MET 0.00 ! 5'-ribose METHYL patch
+ ! use in generate statement
+GROUP
+ATOM C5' CN9 -0.27
+ATOM H5' HN9 0.09
+ATOM H5'' HN9 0.09
+ATOM H53' HN9 0.09 ! Can't use ''' and avoid conflict with THY
+!
+DELETE ATOM O5'
+DELETE ATOM P
+DELETE ATOM O1P
+DELETE ATOM O2P
+!
+BOND C5' H53'
+IC C3' C4' C5' H53' 0.0000 0.00 180.00 0.00 0.0000
+IC H53' C4' *C5' H5' 0.0000 0.00 120.00 0.00 0.0000
+IC H53' C4' *C5' H5'' 0.0000 0.00 -120.00 0.00 0.0000
+
+PRES 5PHO -1.00 ! 5'terminal PHOSPHATE patch
+ ! use in generate statement
+GROUP
+ATOM C5' CN8B -0.08
+ATOM H5' HN8 0.09
+ATOM H5'' HN8 0.09
+ATOM P P 1.50
+ATOM O1P ON3 -0.82
+ATOM O2P ON3 -0.82
+ATOM O5' ON2 -0.62
+ATOM O5T ON4 -0.68
+ATOM H5T HN4 0.34
+BOND O5T P H5T O5T
+DONO H5T O5T
+! Built in B-DNA-like conformation (NF)
+BILD C4' C5' O5' P 0.0000 000.00 -146.00 000.00 0.0000
+BILD C5' O5' P O5T 0.0000 000.00 -46.90 000.00 0.0000
+BILD O5T O5' *P O1P 0.0000 000.00 -115.82 000.00 0.0000
+BILD O5T O5' *P O2P 0.0000 000.00 115.90 000.00 0.0000
+BILD H5T O5T P O5' 0.0000 000.00 -95.20 000.00 0.0000
+
+PRES 5POM -1.00 ! 5'terminal Methyl-Phosphate patch
+ ! use in generate statement
+GROUP
+ATOM C5' CN8B -0.08
+ATOM H5' HN8 0.09
+ATOM H5'' HN8 0.09
+ATOM P P 1.50
+ATOM O1P ON3 -0.78
+ATOM O2P ON3 -0.78
+ATOM O5' ON2 -0.57
+ATOM O5T ON2 -0.57
+ATOM C5T CN9 -0.17
+ATOM H5T1 HN9 0.09
+ATOM H5T2 HN9 0.09
+ATOM H5T3 HN9 0.09
+
+BOND O5T P O5T C5T C5T H5T1 C5T H5T2
+BOND C5T H5T3
+!DONO H5T O5T
+! Built in B-DNA-like conformation (NF)
+BILD C4' C5' O5' P 0.0000 000.00 -146.00 000.00 0.0000
+BILD C5' O5' P O5T 0.0000 000.00 -46.90 000.00 0.0000
+BILD O5T O5' *P O1P 0.0000 000.00 -115.82 000.00 0.0000
+BILD O5T O5' *P O2P 0.0000 000.00 115.90 000.00 0.0000
+BILD C5T O5T P O5' 0.0000 000.00 -95.20 000.00 0.0000
+BILD H5T1 C5T O5T P 0.0000 000.00 180.20 000.00 0.0000
+BILD H5T2 C5T O5T P 0.0000 000.00 60.00 000.00 0.0000
+BILD H5T3 C5T O5T P 0.0000 000.00 -60.00 000.00 0.0000
+
+PRES 3TER 0.00 ! 3'terminal HYDROXYL patch, from MeOH
+ ! use in generate statement
+GROUP
+ATOM C3' CN7 0.14
+ATOM H3' HN7 0.09
+ATOM O3' ON5 -0.66
+ATOM H3T HN5 0.43
+BOND O3' H3T
+DONO H3T O3'
+BILD H3T O3' C3' C4' 0.9600 114.97 148.63 111.92 1.5284
+
+PRES 3PHO -1.00 ! 3'terminal PHOSPHATE patch
+ ! use in generate statement
+GROUP
+ATOM C3' CN7 0.01
+ATOM H3' HN7 0.09
+ATOM P3 P 1.50
+ATOM O1P3 ON3 -0.82
+ATOM O2P3 ON3 -0.82
+ATOM O3' ON2 -0.62
+ATOM O3T ON4 -0.68
+ATOM H3T HN4 0.34
+BOND O3' P3 P3 O1P3 P3 O2P3 P3 O3T O3T H3T
+DONO H3T O3T
+ACCE O3T
+ACCE O1P2
+ACCE O2P3
+! Build in B-DNA-like conformation (NF)
+BILD C4' C3' O3' P3 0.0000 000.00 155.00 000.00 0.0000
+BILD C3' O3' P3 O3T 0.0000 000.00 -95.20 000.00 0.0000
+BILD O3T O3' *P3 O1P3 0.0000 000.00 -115.82 000.00 0.0000
+BILD O3T O3' *P3 O2P3 0.0000 000.00 115.90 000.00 0.0000
+BILD H3T O3T P3 O3' 0.0000 000.00 -46.90 000.00 0.0000
+
+PRES 3POM -1.00 ! 3'terminal Methyl Phosphate patch
+ ! use in generate statement
+! To build model compound with OPO3-CH3 at the 3' end (nicolas)
+GROUP
+ATOM C3' CN7 0.01
+ATOM H3' HN7 0.09
+ATOM P3 P 1.50
+ATOM O1P3 ON3 -0.78
+ATOM O2P3 ON3 -0.78
+ATOM O3' ON2 -0.57
+ATOM O3T ON2 -0.57
+ATOM C3T CN9 -0.17
+ATOM H3T1 HN9 0.09
+ATOM H3T2 HN9 0.09
+ATOM H3T3 HN9 0.09
+
+BOND O3' P3 P3 O1P3 P3 O2P3 P3 O3T O3T C3T
+BOND C3T H3T1 C3T H3T2 C3T H3T3
+ACCE O3'
+ACCE O5'
+ACCE O1P2
+ACCE O1P3
+BILD C4' C3' O3' P3 0.0000 000.00 155.00 000.00 0.0000
+BILD C3' O3' P3 O3T 0.0000 000.00 -95.22 000.00 0.0000
+BILD O3T O3' *P3 O1P3 0.0000 000.00 -115.82 000.00 0.0000
+BILD O3T O3' *P3 O2P3 0.0000 000.00 115.90 000.00 0.0000
+BILD C3T O3T P3 O3' 0.0000 000.00 -46.90 000.00 0.0000
+BILD H3T1 C3T O3T P3 0.0000 000.00 180.00 000.00 0.0000
+BILD H3T2 C3T O3T P3 0.0000 000.00 60.00 000.00 0.0000
+BILD H3T3 C3T O3T P3 0.0000 000.00 -60.00 000.00 0.0000
+
+PRES 3PO3 -2.00 ! 3'terminal PHOSPHATE patch
+ ! use in generate statement
+ ! Added by Nicolas, to be consistent with model componds
+GROUP
+ATOM C3' CN7 -0.09
+ATOM H3' HN7 0.09
+ATOM P3 P 1.10
+ATOM O3' ON2 -0.40
+ATOM O1P3 ON3 -0.90
+ATOM O2P3 ON3 -0.90
+ATOM O3P3 ON3 -0.90
+BOND O3' P3 P3 O1P3 P3 O2P3 P3 O3P3
+ACCE O1P2
+ACCE O1P3
+BILD C4' C3' O3' P3 0.0000 000.00 180.00 000.00 0.0000
+BILD C3' O3' P3 O3P3 0.0000 000.00 -39.52 000.00 0.0000
+BILD O3P3 O3' *P3 O1P3 0.0000 000.00 -115.82 000.00 0.0000
+BILD O3P3 O3' *P3 O2P3 0.0000 000.00 115.90 000.00 0.0000
+BILD O3' P3 O3P3 O3T 0.0000 000.00 180.00 000.00 0.0000
+BILD P3 O3P3 O3T H3T 0.0000 000.00 180.00 000.00 0.0000
+
+PRES DELB 0.00 ! patch to delete all possible base atoms
+ ! of Cyt,Gua,Ade,Thy and Ura
+ !
+!note: error messages will be obtained due to atoms not present in
+!residue being "deleted" by this patch
+!cyt section
+DELE ATOM N1
+DELE ATOM C6
+DELE ATOM H6
+DELE ATOM C2
+DELE ATOM O2
+DELE ATOM N3
+DELE ATOM C4
+DELE ATOM N4
+DELE ATOM H41
+DELE ATOM H42
+DELE ATOM C5
+DELE ATOM H5
+!gua section
+DELE ATOM N9
+DELE ATOM H1
+DELE ATOM N2
+DELE ATOM H21
+DELE ATOM H22
+DELE ATOM O6
+DELE ATOM N7
+DELE ATOM C8
+DELE ATOM H8
+!ade section
+DELE ATOM H2
+DELE ATOM N6
+DELE ATOM H61
+DELE ATOM H62
+!thy/ura section
+DELE ATOM H3
+DELE ATOM O4
+DELE ATOM C5M
+DELE ATOM H51
+DELE ATOM H52
+DELE ATOM H53
+
+PRES CY35 0.0 ! patch to make a cyclic 3'-5' nucleotide
+ ! use AUTOGEN ANGLE DIHE after this patch
+BOND O3' P ! but before water-generation
+
+PRES LKNA 0.0 ! Patch to join to nucleic acid segments (eg for IMAGES)
+ ! eg: patch sega 10 segb 1
+ ! sega should have std 3' (gene sega ... last none)
+ ! segb should have std 5' (gene segb ... first none)
+ ! USE AUTOgen ANGL DIHE after this patch,
+ ! but before water-generation
+BOND 1O3' 2P
+!following commented due to use of autogenerate
+!THET 1C3' 1O3' 2P
+!THET 1O3' 2P 2O5'
+!THET 1O3' 2P 2O1P
+!THET 1O3' 2P 2O2P
+!DIHE 1O3' 2P 2O5' 2C5' 1O3' 2P 2O5' 2C5'
+!DIHE 1C4' 1C3' 1O3' 2P
+!DIHE 1C3' 1O3' 2P 2O5' 1C3' 1O3' 2P 2O5'
+IC 1O3' 2P 2O5' 2C5' 1.6001 101.45 -39.25 119.00 1.4401
+IC 1O3' 2O5' *2P 2O1P 1.6001 101.45 -115.82 109.74 1.4802
+IC 1O3' 2O5' *2P 2O2P 1.6001 101.45 115.90 109.80 1.4801
+IC 1C4' 1C3' 1O3' 2P 1.5284 111.92 159.13 119.05 1.6001
+IC 1C3' 1O3' 2P 2O5' 1.4212 119.05 -98.86 101.45 1.5996
+
+RESI TIP3 0.00 ! TIPS3P WATER MODEL
+ ! GENERATE USING NOANGLE NODIHEDRAL
+GROUP
+ATOM OH2 OT -0.834
+ATOM H1 HT 0.417
+ATOM H2 HT 0.417
+BOND OH2 H1 OH2 H2 H1 H2 ! THE LAST BOND IS NEEDED FOR SHAKE
+ANGLE H1 OH2 H2 ! REQUIRED
+ACCEPTOR OH2
+PATCHING FIRS NONE LAST NONE
+
+RESI TP3M 0.000 ! "mmff" water model, as an analog of tip3p
+GROUP
+ATOM OH2 OT -0.834 ! these charges are replaced by the mmff setup
+ATOM H1 HT 0.417 ! these charges are replaced by the mmff setup
+ATOM H2 HT 0.417 ! these charges are replaced by the mmff setup
+BOND OH2 H1 OH2 H2 ! omits the H1-H2 bond, which is needed for shake with tip3p
+ANGLE H1 OH2 H2 ! required
+ACCEPTOR OH2
+PATCHING FIRS NONE LAST NONE
+
+! Ion parameters from Benoit Roux and Coworkers
+! As of 8/98 no NBFIX terms required
+!
+RESI SOD 1.00 ! Sodium Ion
+GROUP
+ATOM SOD SOD 1.00
+PATCHING FIRST NONE LAST NONE
+
+RESI MG 2.00 ! Magnesium Ion
+GROUP
+ATOM MG MG 2.00
+PATCHING FIRST NONE LAST NONE
+
+RESI POT 1.00 ! Potassium Ion
+GROUP
+ATOM POT POT 1.00
+PATCHING FIRST NONE LAST NONE
+
+RESI CES 1.00 ! Cesium Ion
+GROUP
+ATOM CES CES 1.00
+PATCHING FIRST NONE LAST NONE
+
+RESI CAL 2.00 ! Calcium Ion
+GROUP
+ATOM CAL CAL 2.00
+PATCHING FIRST NONE LAST NONE
+
+RESI CLA -1.00 ! Chloride Ion
+GROUP
+ATOM CLA CLA -1.00
+PATCHING FIRST NONE LAST NONE
+
+RESI ZN2 2.00 ! Zinc ion, Roland Stote
+GROUP
+ATOM ZN ZN 2.00
+PATCHING FIRST NONE LAST NONE
+
+end
+
diff --git a/tools/ch2lmp/lammps2pdb.pl b/tools/ch2lmp/lammps2pdb.pl
new file mode 100644
index 0000000000..145ab0bd29
--- /dev/null
+++ b/tools/ch2lmp/lammps2pdb.pl
@@ -0,0 +1,1042 @@
+#!/usr/bin/perl
+#
+# program: lammps2pdb.pl
+# author: Pieter J. in 't Veld
+# pjintve@sandia.gov, veld@verizon.net
+# date: September 3-4, 2004, April 23-25, 2005.
+# purpose: Translation of lammps output into pdb format for use in
+# conjunction with vmd
+#
+# Notes: Copyright by author for Sandia National Laboratories
+# 20040903 Conception date of v1.0: rudimentary script for collagen
+# project.
+# 20050423 Conception date of v2.0:
+# - changed data access through indexing data directly on disk;
+# - added all command line options
+# 20050425 Corrected focussing to use a target molecule's moment of
+# inertia to determine its principal axis: for computational
+# ease, a 3D orientational vector is calculated from two 2D
+# projections
+# 20050701 Changed create_names() to loosen mass recognition criterion and
+# corrected created_atom_ids() to properly deal with the end of
+# the data stream.
+
+# subroutines
+
+ sub test
+ {
+ my $name = shift(@_);
+
+ printf("Error: file %s not found\n", $name) if (!scalar(stat($name)));
+ return !scalar(stat($name));
+ }
+
+
+ sub initialize
+ {
+ my $k = 0;
+ my @options = ("-help", "-nstart", "-dn", "-cut", "-pbc",
+ "-repair", "-quiet", "-focus", "-center");
+ my @remarks = ("display this message",
+ "starting frame [-1]",
+ "frames to skip when creating multiple frames [0]",
+ "cut bonds crossing over box edge [off]",
+ "apply periodic boundary conditions [off]",
+ "repair bonds [off]",
+ "turn display information off",
+ "molecules to focus on []",
+ "molecules to use as center of mass []");
+ my @notes = (
+ "* Multiple frames are processed when dn > 0.",
+ "* Only the last frame is converted when nstart < 0.",
+ "* Focussing superceedes centering.",
+ "* Focussing uses the moment of inertia to determine the molecules'",
+ " principal axis; the molecules are rotated and translated to the lab",
+ " frame, using the focus molecules as reference.",
+ "* Expected files in current directory: project.data, project.dump",
+ "* Generated output files: project_trj.psf, project_trj.pdb",
+ "* Uses project_ctrl.psf if available");
+
+
+ $program = "lammps2pdb";
+ $version = "2.1";
+ $year = "2005";
+ $cut = 0;
+ $pbc = 0;
+ $repair = 0;
+ $info = 1;
+ $nstart = -1;
+ $dn = 0;
+
+ foreach (@ARGV)
+ {
+ if (substr($_, 0, 1) eq "-")
+ {
+ my $k = 0;
+ my @arg = split("=");
+ my $switch = ($arg[1] eq "")||($arg[1] eq "on")||($arg[1]!=0);
+ $arg[0] = lc($arg[0]);
+ foreach (@options)
+ {
+ last if ($arg[0] eq substr($_, 0, length($arg[0])));
+ ++$k;
+ }
+ $help = 1 if (!$k--);
+ $nstart = $arg[1] if (!$k--);
+ $dn = $arg[1] if (!$k--);
+ $cut = $switch if (!$k--);
+ $pbc = $switch if (!$k--);
+ $repair = $switch if (!$k--);
+ $info = !$switch if (!$k--);
+ if (!$k--) { foreach (split(" ",$arg[1])) { $focus{uc($_)} = uc($_);}}
+ if (!$k--) { foreach (split(" ",$arg[1])) { $center{uc($_)} = uc($_);}}
+ }
+ else { $project = $_ if (!$k++); }
+ }
+ if (($k<1)||$help)
+ {
+ printf("%s v%s (c)%s by Pieter J. in \'t Veld for SNL\n\n",
+ $program, $version, $year);
+ printf("Usage:\n %s.pl [-option[=#] ..] project\n\n", $program);
+ printf("Options:\n");
+ for (my $i=0; $i<scalar(@options); ++$i)
+ {
+ printf(" %-10.10s %s\n", $options[$i], $remarks[$i]);
+ }
+ printf("\nNotes:\n") if (scalar(@notes));
+ foreach(@notes) { printf(" %s\n", $_); };
+ printf("\n");
+ exit(-1);
+ }
+ printf("%s v%s (c)%s\n\n", $program, $version, $year) if ($info);
+
+ $data_name = $project.".data";
+ $traject_name = $project.".dump";
+ $pdb_name = $project."_trj.pdb";
+ $psf_name = $project."_trj.psf";
+ $psf_ctrl_name = $project."_ctrl.psf";
+ $psf_ctrl = scalar(stat($psf_ctrl_name));
+
+ my $flag = test($data_name)||test($traject_name);
+ printf("Conversion aborted\n\n") if ($flag);
+ exit(-1) if ($flag);
+
+ # data input
+
+ create_atom_ids();
+ create_bonds();
+ open(TRAJECT, "<".$traject_name);
+ open(PSF_CTRL, "<".$psf_ctrl_name) if ($psf_ctrl);
+
+ # open output
+
+ open(PSF, ">".$psf_name) if (!$psf_ctrl);
+ open(PDB, ">".$pdb_name);
+
+ # align center with focus
+
+ %center = %focus if (scalar(%focus));
+ }
+
+
+# Vector routines
+
+ sub V_String # V_String(@a)
+ {
+ return "{".join(", ", @_)."}";
+ }
+
+
+ sub V_Round
+ {
+ foreach(@_) { $_ = ($_<0 ? -int(-$_*1e11+0.5) : int($_*1e11+0.5))/1e11; }
+ return @_;
+ }
+
+
+ sub V_Add # V_Add(@a, @b) = @a + @b;
+ {
+ return (@_[0]+@_[3], @_[1]+@_[4], @_[2]+@_[5]);
+ }
+
+
+ sub V_Subtr # V_Subtr(@a, @b) = @a - @b;
+ {
+ return (@_[0]-@_[3], @_[1]-@_[4], @_[2]-@_[5]);
+ }
+
+
+ sub V_Dot # V_Dot(@a, @b) = @a . @b;
+ {
+ return (@_[0]*@_[3]+@_[1]*@_[4]+@_[2]*@_[5]);
+ }
+
+
+ sub V_Cross # V_Cross(@a, @b) = @a x @b;
+ {
+ return (@_[1]*@_[5]-@_[2]*@_[4], @_[2]*@_[3]-@_[0]*@_[5],
+ @_[0]*@_[4]-@_[1]*@_[3]);
+ }
+
+
+ sub V_Mult # V_Mult($f, @a) = $f * @a;
+ {
+ return (@_[0]*@_[1], @_[0]*@_[2], @_[0]*@_[3]);
+ }
+
+
+ sub V_Norm # V_Norm(@a) = @a/|@a|;
+ {
+ return V_Mult(1/sqrt(V_Dot(@_[0,1,2],@_[0,1,2])), @_[0,1,2]);
+ }
+
+
+ sub pbc # periodic -0.5*L <= x < 0.5*L
+ {
+ my $x = @_[0]/@_[1]+0.5;
+
+ return @_[0]-@_[1]*($x<0 ? int($x)-1 : int($x));;
+ }
+
+
+ sub V_PBC # V_PBC(@a, @l)
+ {
+ return (pbc(@_[0], @_[3]), pbc(@_[1], @_[4]), pbc(@_[2], @_[5]));
+ }
+
+
+ sub V_Cmp # V_Cmp(abs(@a), abs(@b))
+ {
+ return -1 if (abs($_[0])<abs($_[3]));
+ return 1 if (abs($_[0])>abs($_[3]));
+ return -1 if (abs($_[1])<abs($_[4]));
+ return 1 if (abs($_[1])>abs($_[4]));
+ return -1 if (abs($_[2])<abs($_[5]));
+ return 1 if (abs($_[2])>abs($_[5]));
+ return 0;
+ }
+
+
+ sub V_Sort # sort on descending absolute
+ { # value
+ my @v = @_;
+
+ for (my $i=0; $i<scalar(@v)-3; $i+=3)
+ {
+ for (my $j=$i+3; $j<scalar(@v); $j+=3)
+ {
+ my @u = @v[$i, $i+1, $i+2];
+ next if (V_Cmp(@u, @v[$j, $j+1, $j+2])>=0);
+ @v[$i,$i+1,$i+2]= @v[$j,$j+1,$j+2];
+ @v[$j,$j+1,$j+2]= @u;
+ }
+ }
+ return @v;
+ }
+
+
+# Matrix routines
+
+ sub M_String # M_String(@A)
+ {
+ my @M;
+
+ for (my $i=0; $i<3; ++$i) { push(@M, V_String(splice(@_, 0, 3))); }
+ return "{".join(", ", @M)."}";
+ }
+
+
+ sub M_Round
+ {
+ return V_Round(@_);
+ }
+
+
+ sub M_Transpose # M_Transpose(@A) = (@A)^t;
+ {
+ return (@_[0], @_[3], @_[6], @_[1], @_[4], @_[7], @_[2], @_[5], @_[8]);
+ }
+
+
+ sub M_Dot # M_Dot(@A, @B) = @A . @B;
+ {
+ return (
+ V_Dot(@_[0,1,2], @_[ 9,12,15]), V_Dot(@_[0,1,2], @_[10,13,16]),
+ V_Dot(@_[0,1,2], @_[11,14,17]),
+ V_Dot(@_[3,4,5], @_[ 9,12,15]), V_Dot(@_[3,4,5], @_[10,13,16]),
+ V_Dot(@_[3,4,5], @_[11,14,17]),
+ V_Dot(@_[6,7,8], @_[ 9,12,15]), V_Dot(@_[6,7,8], @_[10,13,16]),
+ V_Dot(@_[6,7,8], @_[11,14,17]));
+ }
+
+
+ sub M_Det # M_Det(@A) = | @A |
+ {
+ return V_Dot(@_[0,1,2], V_Cross(@_[3,4,5], @_[6,7,8]));
+ }
+
+
+ sub M_Mult # M_Mult($a, @A) = $a * @A
+ {
+ return (
+ @_[0]*@_[1], @_[0]*@_[2], @_[0]*@_[3],
+ @_[0]*@_[4], @_[0]*@_[5], @_[0]*@_[6],
+ @_[0]*@_[7], @_[0]*@_[8], @_[0]*@_[9]);
+ }
+
+
+ sub M_Unit { return (1,0,0, 0,1,0, 0,0,1); }
+
+ sub PI { return 4*atan2(1,1); }
+
+ sub M_Rotate # M_Rotate($n, $alpha) = @R_$n;
+ { # vmd convention
+ my $n = shift(@_);
+ my $alpha = shift(@_)*PI()/180;
+ my $cos = cos($alpha);
+ my $sin = sin($alpha);
+
+ $cos = 0 if (abs($cos)<1e-16);
+ $sin = 0 if (abs($sin)<1e-16);
+ return (1,0,0, 0,$cos,-$sin, 0,$sin,$cos) if ($n==0); # around x-axis
+ return ($cos,0,$sin, 0,1,0, -$sin,0,$cos) if ($n==1); # around y-axis
+ return ($cos,-$sin,0, $sin,$cos,0, 0,0,1) if ($n==2); # around z-axis
+ return M_Unit();
+ }
+
+
+ sub M_RotateNormal # returns R.(1,0,0) = @a/|@a|;
+ {
+ my @R = M_Unit();
+ my @n = V_Mult(1.0/sqrt(V_Dot(@_[0,1,2], @_)), @_);
+ my $sina = $n[1]<0 ? -sqrt($n[1]*$n[1]+$n[2]*$n[2]) :
+ sqrt($n[1]*$n[1]+$n[2]*$n[2]);
+
+ if ($sina)
+ {
+ my $cosa = $n[0];
+ my $cosb = $n[1]/$sina;
+ my $sinb = $n[2]/$sina;
+ @R = (
+ $cosa ,-$sina , 0,
+ $cosb*$sina, $cosb*$cosa, -$sinb,
+ $sinb*$sina, $sinb*$cosa, $cosb);
+ }
+ return @R;
+ }
+
+
+ sub MV_Dot # MV_Dot(@A, @b) = @A . @b;
+ {
+ return (V_Dot(@_[0,1,2], @_[9,10,11]), V_Dot(@_[3,4,5], @_[9,10,11]),
+ V_Dot(@_[6,7,8], @_[9,10,11]));
+ }
+
+
+ sub M_Sweep
+ {
+ my @M = @_;
+
+ for (my $i=0; $i<3; ++$i)
+ {
+ @M = V_Sort(@M);
+ my @v = splice(@M, 3*$i, 3);
+ if (abs($v[$i])>1e-10)
+ {
+ @v = V_Mult(1/$v[$i], @v);
+ @M[0,1,2] = V_Subtr(@M[0,1,2], V_Mult($M[$i], @v));
+ @M[3,4,5] = V_Subtr(@M[3,4,5], V_Mult($M[$i+3], @v));
+ }
+ @M = (@v, @M) if ($i==0);
+ @M = (@M[0,1,2], @v, @M[3,4,5]) if ($i==1);
+ @M = (@M, @v) if ($i==2);
+ }
+ return V_Round(@M);
+ }
+
+
+# Complex routines
+
+ sub C_Add # z = z1 + z2
+ {
+ return (@_[0]+@_[2], @_[1]+@_[3]);
+ }
+
+
+ sub C_Subtr # z = z1 - z2
+ {
+ return (@_[0]-@_[2], @_[1]-@_[3]);
+ }
+
+
+ sub C_Mult # z = z1 * z2
+ {
+ return (@_[0]*@_[2]-@_[1]*@_[3], @_[0]*@_[3]+@_[2]*@_[1]);
+ }
+
+
+ sub C_Div # z = z1 / z2
+ {
+ my $num = @_[2]*@_[2]+@_[3]*@_[3];
+
+ return ((@_[0]*@_[2]+@_[1]*@_[3])/$num, (@_[1]*@_[2]-@_[0]*@_[3])/$num);
+ }
+
+
+ sub C_Pow # z = z1 ^ a
+ {
+ my $r = (sqrt(@_[0]*@_[0]+@_[1]*@_[1]))**@_[2];
+ my $a = @_[2]*atan2(@_[1], @_[0]);
+
+ return ($r*cos($a), $r*sin($a));
+ }
+
+
+ sub C_Correct
+ {
+ return (abs(@_[0])<1e-14 ? 0 : @_[0], abs(@_[1])<1e-14 ? 0 : @_[1]);
+ }
+
+
+ sub C_Zero
+ {
+ return (abs(@_[0])<1e-8 ? 0 : @_[0], abs(@_[1])<1e-8 ? 0 : @_[1]);
+ }
+
+
+ sub C_Conj
+ {
+ return (@_[0], -@_[1]);
+ }
+
+
+ sub C_String
+ {
+ return @_[0]." + ".@_[1]."i";
+ }
+
+
+# analytical roots
+
+ sub R_Sort
+ {
+ my $n = scalar(@_);
+
+ for (my $i=0; $i<$n-2; $i+=2)
+ {
+ for (my $j=$i+2; $j<$n; $j+=2)
+ {
+ if (@_[$j]<@_[$i]) {
+ my @t = @_[$i,$i+1]; @_[$i,$i+1] = @_[$j,$j+1]; @_[$j,$j+1] = @t; }
+ else { if ((@_[$j]==@_[$i])&&(@_[$j+1]<@_[$i+1])) {
+ my @t = @_[$i,$i+1]; @_[$i,$i+1] = @_[$j,$j+1]; @_[$j,$j+1] = @t; } }
+ }
+ }
+ return @_;
+ }
+
+
+ sub R_First
+ {
+ return (0, 0) if (abs(@_[1])<1e-14);
+ return (-@_[0]/@_[1], 0);
+ }
+
+
+ sub R_Second
+ {
+ return R_First(@_) if (abs(@_[2]<1e-14));
+ my @z = (-@_[1]/@_[2]/2.0, 0);
+ my @root = C_Correct(C_Pow(($z[0]*$z[0]-@_[0]/@_[2], 0), 1/2));
+ return (C_Zero(C_Subtr(@z, @root)), C_Zero(C_Add(@z, @root)));
+ }
+
+
+ sub R_Third
+ {
+ return R_Second(@_) if (abs(@_[3])<1e-14);
+ my $c3 = 3*@_[3];
+ my $f1 = @_[1]*$c3-@_[2]*@_[2];
+ my $f2 = 0.5*@_[2]*(3*$f1+@_[2]*@_[2])-1.5*@_[0]*$c3*$c3;
+ my $f3 = -@_[2]/$c3;
+ my @A = (0, 0);
+ my @B = (0, 0);
+ my @z1 = (0.5, 0.5*sqrt(3));
+ my @z2 = C_Conj(@z1);
+
+ if (abs($f1)<1e-3) { # limit f1 -> 0
+ @A = ($f2<0 ? abs(2*$f2)**(1/3) : 0, 0); }
+ else {
+ if (abs($f2)<1e-14) { # limit f2 -> 0
+ my $f = sqrt(abs($f1))/$c3;
+ @A = $f1<0 ? (-$f*$z1[1], 0.5*$f) : ($f, 0);
+ @B = $f1<0 ? (-$A[0], $A[1]) : ($f, 0); }
+ else {
+ @B = C_Pow(C_Add(($f2, 0),
+ C_Pow(($f1*$f1*$f1+$f2*$f2, 0), 1/2)), 1/3);
+ @A = C_Div(($f1/$c3, 0), @B);
+ @B = ($B[0]/$c3, $B[1]/$c3); } }
+ return R_Sort(
+ C_Zero(C_Add(($f3, 0), C_Subtr(C_Mult(@z1, @A), C_Mult(@z2, @B)))),
+ C_Zero(C_Add(($f3, 0), C_Subtr(C_Mult(@z2, @A), C_Mult(@z1, @B)))),
+ C_Zero(C_Add(($f3, 0), C_Subtr(@B, @A))));
+ }
+
+
+# create crossreference tables
+
+ sub create_psf_index # make an index of id
+ { # locations
+ my @psf_ids = ("!NATOM","!NBOND:","!NTHETA:","!NPHI:","!NIMPHI:");
+ my @ids = (atoms, bonds, angles, dihedrals, impropers);
+ my $k = 0;
+ my %hash;
+
+ printf("Info: creating PSF index\n") if ($info);
+ foreach (@psf_ids) { $hash{$_} = shift(@ids); };
+ seek(PSF_CTRL, 0, SEEK_SET);
+ while (<PSF_CTRL>)
+ {
+ chop();
+ my @tmp = split(" ");
+ my $n = $hash{$tmp[1]};
+ $PSFIndex{$n} = tell(PSF_CTRL)." ".$tmp[0] if ($n ne "");
+ }
+ }
+
+
+ sub psf_goto # goto $ident in <PSF>
+ {
+ create_psf_index() if (!scalar(%PSFIndex));
+ my $id = shift(@_);
+ my @n = split(" ", $PSFIndex{$id});
+
+ @PSFBuffer = ();
+ if (!scalar(@n))
+ {
+ printf("Warning: PSF index for $id not found\n");
+ seek(PSF_CTRL, 0, SEEK_END);
+ return -1;
+ }
+ seek(PSF_CTRL, $n[0], SEEK_SET);
+ return $n[1];
+ }
+
+
+ sub psf_get
+ {
+ @PSFBuffer = split(" ", <PSF_CTRL>) if (!scalar(@PSFBuffer));
+ return splice(@PSFBuffer, 0, shift(@_));
+ }
+
+
+ sub create_data_index
+ {
+ my $init = 3;
+ my @tmp;
+ my $id;
+ my %hash;
+ my %size;
+
+ foreach ((masses,atoms,bonds,angles,dihedrals,impropers)) { $hash{$_}=$_; }
+ open(DATA, "<".$data_name);
+ for (my $i=0; $i<2; ++$i) { my $tmp = <DATA>; } # skip first two lines
+ while ($init&&!eof(DATA)) # interpret header
+ {
+ @tmp = split(" ", <DATA>);
+ --$init if (!scalar(@tmp));
+ foreach (@tmp) { $_ = lc($_); }
+ $tmp[1] = masses if ($tmp[1]." ".$tmp[2] eq "atom types");
+ $L[0] = $tmp[0]." ".($tmp[1]-$tmp[0])
+ if (join(" ",@tmp[2,3]) eq "xlo xhi");
+ $L[1] = $tmp[0]." ".($tmp[1]-$tmp[0])
+ if (join(" ",@tmp[2,3]) eq "ylo yhi");
+ $L[2] = $tmp[0]." ".($tmp[1]-$tmp[0])
+ if (join(" ",@tmp[2,3]) eq "zlo zhi");
+ if (($id = $hash{$tmp[1]}) ne "") { $size{$id} = $tmp[0]; }
+ }
+ while (!eof(DATA)) # interpret data
+ {
+ @tmp = split(" ", <DATA>);
+ my $skip = <DATA> if (($id = $hash{lc($tmp[0])}) ne "");
+ $DATAIndex{$id} = tell(DATA)." ".$size{$id} if ($id ne "");
+ }
+ }
+
+
+ sub goto_data
+ {
+ create_data_index() if (!scalar(%DATAIndex));
+ my $id = shift(@_);
+ my @n = split(" ", $DATAIndex{$id});
+
+ if (!scalar(@n))
+ {
+ printf("Warning: DATA index for $id not found\n");
+ seek(DATA, 0, SEEK_END);
+ return -1;
+ }
+ seek(DATA, $n[0], SEEK_SET);
+ return $n[1];
+ }
+
+
+# create atom and residue identifiers
+
+ sub create_names
+ {
+ return if (scalar(@names));
+ my $n = goto_data(masses);
+ my @mass = (1, 12, 14, 16, 32.1, 4, 20.2, 40.1, 65.4,
+ 55.8, 31, 35.5, 23, 24.3, 39.1, 28.1);
+ my @name = (H, C, N, O, S, HE, NE, CA,
+ ZN, FE, P, CL, NA, MG, K, SI);
+ my @unknown = (X, Y, Z);
+ my $k = 0;
+ my %atom;
+
+ $names[0] = "";
+ foreach (@mass) { $atom{$_} = shift(@name); }
+ for (my $i=1; $i<=$n; ++$i)
+ {
+ my @tmp = split(" ", <DATA>);
+ $tmp[1] = int($tmp[1]*10+0.5)/10;
+ if (($names[$i] = $atom{$masses[$i] = $tmp[1]}) eq "")
+ {
+ $names[$i] = $unknown[0].$k;
+ if (++$k>9) { $k = 0; shift(@unknown); }
+ }
+ }
+ }
+
+
+ sub create_position
+ {
+ my @data = @_;
+ my $p = $data[0]." ".$data[1];
+ my $k;
+
+ for ($k=0; ($k<scalar(@data))&&(substr($data[$k],0,1) ne "#"); ++$k) { }
+ @data = splice(@data, $k-($k<8 ? 3 : 6), $k<8 ? 3 : 6);
+ foreach (@L)
+ {
+ my @l = split(" ");
+ $p = join(" ", $p, (shift(@data)-$l[0])/$l[-1]+$data[3]);
+ }
+ return $p;
+ }
+
+
+ sub create_atom_ids
+ {
+ my $res = 0;
+ my $last = 1;
+ my @data;
+ my $n;
+ my $k;
+ my $tmp;
+ my $id;
+ my %link;
+ my %special;
+
+ printf("Info: creating atom ids\n") if ($info);
+ create_names();
+ $n = goto_data(atoms);
+ foreach ((CL, NA, MG, K)) { $special{$_} = "ION"; }
+ $special{"H H O"} = "HOH";
+ for (my $i=0; $i<=$n; ++$i)
+ {
+ @data = split(" ", <DATA>) if ($i<$n);
+ $traject[$i] = create_position(@data) if ($i<$n); # positions
+ if ($i<$n ? ($mol[$i+1] = $data[1])!=$last : 1) # residues
+ {
+ if ((($tmp = $link{$id = join(" ", sort(split(" ", $id)))}) eq "")&&
+ (($tmp = $special{$id}) eq ""))
+ {
+ $link{$id} =
+ $tmp = "R".($res<10 ? "0" : "").$res;
+ ++$res;
+ }
+ $cluster[$last] = "PROT";
+ $cluster[$last] = "WATR" if ($tmp eq "HOH");
+ $cluster[$last] = "SALT" if ($tmp eq "ION");
+ $residue[$last] = $tmp;
+ $last = $data[1];
+ $id = "";
+ }
+ $id = join(" ", $id, $names[$data[2]]);
+ }
+ }
+
+ $ntmp = 0;
+
+ sub crossover
+ {
+ my @d = V_Subtr((split(" ", $position[@_[0]]))[0,1,2],
+ (split(" ", $position[@_[1]]))[0,1,2]);
+
+ $d[0] /= $l[3];
+ $d[1] /= $l[4];
+ $d[2] /= $l[5];
+ return (($d[0]<-0.5)||($d[0]>=0.5)||($d[1]<-0.5)||($d[1]>=0.5)||
+ ($d[2]<-0.5)||($d[2]>=0.5));
+ }
+
+
+ sub delete_crossovers
+ {
+ my $n = scalar(@bonds);
+ my $i = 0;
+
+ printf("Info: deleting crossovers\n") if ($info);
+ while ($i<$n) # take out crossovers
+ {
+ if (crossover(split(" ", $bonds[$i]))) { splice(@bonds, $i, 1); --$n; }
+ else { ++$i; }
+ }
+ }
+
+
+ sub create_bonds
+ {
+ my $n = goto_data(bonds);
+
+ printf("Info: creating bonds\n") if ($info);
+ for (my $i=0; $i<$n; ++$i)
+ {
+ my @arg = split(" ", <DATA>);
+ $bonds[$i] = ($arg[2]-1)." ".($arg[3]-1);
+ }
+ }
+
+
+# traject operators
+
+ sub advance_traject
+ {
+ my $subject = "item: ".lc(shift(@_));
+ my $advance = 1;
+
+ while (!eof(TRAJECT)&&(lc(join(" ", split(" ", <TRAJECT>))) ne $subject)) {}
+ }
+
+
+ sub read_traject
+ {
+ my @box;
+ my @l;
+
+ advance_traject("timestep");
+ my $timestep = (split(" ", <TRAJECT>))[0];
+ advance_traject("number of atoms");
+ my $n = (split(" ", <TRAJECT>))[0];
+ advance_traject("box bounds");
+ for (my $i=0; $i<3; ++$i)
+ {
+ my @data = split(" ", <TRAJECT>);
+ $box[$i] = 0.5*($data[0]+$data[1]); # box edge
+ $l[$i] = $data[1]-$data[0]; # box length
+ }
+ advance_traject("atoms");
+ for (my $i=0; $i<$n; ++$i)
+ {
+ my @data = split(" ", <TRAJECT>); # read data
+ $traject[$data[0]-1] = join(" ", @data); # store data in order
+ }
+ return ($timestep, $n, @box, @l);
+ }
+
+
+# pdb format
+
+ sub eigen_vector # eigen_vector(@A, $l)
+ {
+ my @A = splice(@_,0,9);
+ my $l = shift(@_);
+
+ $A[0] -= $l;
+ $A[4] -= $l;
+ $A[8] -= $l;
+ @A = M_Sweep(@A);
+ return V_Norm(-$A[2], -$A[5], 1) if (($A[0]==1)&&($A[4]==1));
+ return V_Norm(-$A[1], 1, -$A[7]) if (($A[0]==1)&&($A[8]==1));
+ return V_Norm(1, -$A[3], -$A[6]) if (($A[4]==1)&&($A[8]==1));
+ return (1,0,0) if ($A[0]==1);
+ return (0,1,0) if ($A[4]==1);
+ return (0,0,1) if ($A[8]==1);
+ return (0,0,0);
+ }
+
+
+ sub pdb_inertia
+ {
+ my @s = (
+ @_[3]-@_[0]*@_[0], @_[4]-@_[1]*@_[1], @_[5]-@_[2]*@_[2],
+ @_[6]-@_[0]*@_[1], @_[7]-@_[0]*@_[2], @_[8]-@_[1]*@_[2]);
+ my @c = (
+ ($s[0]+$s[1])*(($s[0]+$s[2])*($s[1]+$s[2])-$s[3]*$s[3]) # c0
+ -$s[5]*($s[3]*$s[4]+($s[1]+$s[2])*$s[5])
+ -$s[4]*(($s[0]+$s[2])*$s[4]+$s[3]*$s[5]),
+ -($s[0]+$s[2])*($s[1]+$s[2])-($s[0]+$s[1])*($s[0]+$s[1]+2*$s[2]) # c1
+ +$s[3]*$s[3]+$s[4]*$s[4]+$s[5]*$s[5],
+ 2*($s[0]+$s[1]+$s[2]), # c2
+ -1); # c3
+ my @sol = R_Third(@c);
+ my @M = ($s[1]+$s[2], -$s[3], -$s[4],
+ -$s[3], $s[0]+$s[2], -$s[5],
+ -$s[4], -$s[5], $s[0]+$s[1]);
+ my @a = eigen_vector(@M, $sol[0]);
+ my @b = eigen_vector(@M, $sol[2]);
+ my @A = M_Transpose(M_RotateNormal(@a));
+ my @B = M_Dot(M_RotateNormal(0,1,0),
+ M_Transpose(M_RotateNormal(MV_Dot(@A,@b))));
+ return M_Dot(@B, @A);
+ }
+
+
+
+ sub pdb_focus # using moment of inertia
+ {
+ my @R = pdb_inertia(@_);
+
+ printf("Info: focussing\n") if ($info);
+ foreach (@position)
+ {
+ my @p = split(" ");
+ $_ = join(" ", MV_Dot(@R, @p[0,1,2]), @p[3,4]);
+ }
+ }
+
+
+ sub pdb_center
+ {
+ my @c = splice(@_, 0, 3);
+
+ printf("Info: centering\n") if ($info);
+ @l[0,1,2] = V_Mult(-1/2, @l[3,4,5]);
+ foreach (@position)
+ {
+ my @p = split(" ");
+ $_ = join(" ", V_Subtr(@p[0,1,2], @c), @p[3,4]);
+ }
+ }
+
+
+ sub pdb_pbc
+ {
+ printf("Info: applying periodicity\n") if ($info);
+ foreach (@position)
+ {
+ my @p = split(" ");
+ $_ = join(" ", V_PBC(@p[0,1,2], @l[3,4,5]), @p[3,4]);
+ }
+ }
+
+
+ sub pdb_repair_bonds
+ {
+ return if (!$pbc);
+ printf("Info: repairing bonds\n") if ($info);
+ foreach (@bonds)
+ {
+ my @b = split(" ");
+ my @p = split(" ", $position[$b[0]]);
+ my @q = split(" ", $position[$b[1]]);
+ $position[$b[1]] = join(" ", V_Add(@p[0,1,2], V_PBC(
+ V_Subtr(@q[0,1,2], @p[0,1,2]), @l[3,4,5])), @q[3,4]);
+ }
+ }
+
+
+ sub pdb_positions
+ {
+ my @m = (0,0,0,0,0,0,0,0,0);
+ my $nmass = 0;
+ my $i = 0;
+ my $mass;
+ my @p;
+ my $d;
+
+ foreach (@traject)
+ {
+ my @arg = split(" ");
+ my $m = $mol[$arg[0]];
+ $p[0] = ($arg[2]+$arg[5]-0.5)*$l[3];
+ $p[1] = ($arg[3]+$arg[6]-0.5)*$l[4];
+ $p[2] = ($arg[4]+$arg[7]-0.5)*$l[5];
+ $position[$i++] = join(" ", @p, $arg[0], $arg[1]);
+ next if (($center{$m} eq "")&&($center{$cluster[$m]} eq ""));
+ $nmass += $mass = $masses[$arg[1]]; # inertia necessities:
+ $m[0] += $d = $mass*$p[0]; # <x>
+ $m[3] += $d*$p[0]; # <x^2>
+ $m[6] += $d*$p[1]; # <xy>
+ $m[7] += $d*$p[2]; # <xz>
+ $m[1] += $d = $mass*$p[1]; # <y>
+ $m[4] += $d*$p[1]; # <y^2>
+ $m[8] += $d*$p[2]; # <yz>
+ $m[2] += $d = $mass*$p[2]; # <z>
+ $m[5] += $d*$p[2]; # <z^2>
+ }
+ pdb_center(M_Mult(1/$nmass, @m)) if ($nmass);
+ pdb_focus(M_Mult(1/$nmass, @m)) if ($nmass && scalar(%focus));
+ pdb_pbc() if ($pbc);
+ pdb_repair_bonds() if ($repair);
+ }
+
+
+ sub pdb_header
+ {
+ printf(PDB "REMARK \n");
+ printf(PDB "REMARK ".$project."_trj.pdb GENERATED FROM ".$project.
+ ($psf_ctrl ? "_ctrl.psf" : ".data")." AND $project.dump\n");
+ printf(PDB "REMARK CREATED BY $program v$version ON %s", `date`);
+ printf(PDB "REMARK \n");
+ }
+
+
+ sub pdb_atoms
+ {
+ my $n = 0;
+ my $last = 0;
+ my @base;
+
+ pdb_positions();
+ psf_goto(atoms) if ($psf_ctrl);
+ printf("Info: writing positions for timestep %d\n", $description[0])
+ if ($info);
+ foreach (@position)
+ {
+ my @p = split(" ");
+ my @psf = split(" ", <PSF_CTRL>) if ($psf_ctrl);
+ my $nres = $mol[$p[3]];
+ @base = @p[0,1,2] if ($last!=$nres);
+ #@p = V_Add(V_PBC(V_Subtr(@p, @base), @l[3,4,5]), @l);
+ foreach (@p) { $_ = 0 if (abs($_)<1e-4); }
+ printf(PDB "ATOM "); # pdb command
+ printf(PDB "%6.6s ", ++$n); # atom number
+ printf(PDB "%-4.4s",
+ $psf_ctrl ? $psf[4] : $names[$p[4]]); # atom name
+ printf(PDB "%-3.3s ",
+ $psf_ctrl ? $psf[3] : $residue[$nres]); # residue name
+ printf(PDB "%5.5s ", $nres); # residue number
+ printf(PDB "%3.3s ", ""); # empty placeholder
+ printf(PDB "%7.7s %7.7s %7.7s ",
+ $p[0], $p[1], $p[2]); # positions
+ printf(PDB "%5.5s %5.5s %4.4s ",
+ "1.00", "0.00", ""); # trailing variables
+ printf(PDB "%-4.4s\n",
+ $psf_ctrl ? $psf[1] : $cluster[$nres]); # cluster name
+ $last = $nres;
+ };
+ printf(PDB "END\n");
+ }
+
+
+ sub pdb_timestep
+ {
+ pdb_header();
+ pdb_atoms();
+ return ();
+ }
+
+
+# psf format
+
+ sub psf_header
+ {
+ printf(PSF "PSF\n");
+ printf(PSF "\n");
+ printf(PSF "%8.8s !NTITLE\n", 2);
+ printf(PSF "REMARK ".$project."_trj.psf GENERATED FROM $project.data\n");
+ printf(PSF "REMARK CREATED BY $program v$version ON %s", `date`);
+ printf(PSF "\n");
+ }
+
+
+ sub psf_atoms
+ {
+ my $n = goto_data(atoms);
+ my $natom = 0;
+ my @arg;
+ my $k;
+
+ printf(PSF "%8.8s !NATOM\n", scalar(@position));
+ for (my $i=0; $i<$n; ++$i)
+ {
+ @arg = split(" ", <DATA>);
+ #next if (($omit{$arg[1]} ne "")||($omit{$cluster[$arg[1]]} ne ""));
+ for ($k=0; ($k<scalar(@arg))&&(substr($arg[$k],0,1) ne "#"); ++$k) {}
+ printf(PSF "%8.8s ", ++$natom); # atom number
+ printf(PSF "%-4.4s ", $cluster[$arg[1]]); # cluster name
+ printf(PSF "%-4.4s ", $arg[1]); # residue number
+ printf(PSF "%-4.4s ", $residue[$arg[1]]); # residue name
+ printf(PSF "%-4.4s ", $names[$arg[2]]); # atom name
+ printf(PSF "%4.4s ", $arg[2]); # atom number
+ printf(PSF "%10.10s ", $k%3 ? $arg[3] : 0); # atom charge
+ printf(PSF "%4.4s ", ""); # blank entry
+ printf(PSF "%8.8s ", $masses[$arg[2]]); # atom mass
+ printf(PSF "%11.11s\n", "0"); # trailing variable
+ }
+ printf(PSF "\n");
+ }
+
+
+ sub psf_bonds
+ {
+ my $npairs = 0;
+
+ delete_crossovers() if ($cut);
+ printf(PSF "%8.8s !NBOND\n", scalar(@bonds));
+ foreach (@bonds)
+ {
+ my @arg = split(" ");
+ printf(PSF " %7.7s %7.7s", $arg[0]+1, $arg[1]+1);
+ if (++$npairs>=4) { printf(PSF "\n"); $npairs = 0; }
+ }
+ if ($npairs>0) { printf(PSF "\n"); }
+ printf(PSF "\n");
+ }
+
+
+# main
+
+ initialize();
+
+ # create .pdb file
+
+ $ncurrent = -1;
+ while (!eof(TRAJECT))
+ {
+ @description = read_traject();
+ @l = splice(@description, -6, 6);
+ next if (($nstart<0)||(++$ncurrent<$nstart));
+ if ($dn<1) { pdb_timestep(); last; }
+ $ncurrent = pdb_timestep() if ($nstart||!($ncurrent%$dn));
+ $nstart = 0;
+ }
+ pdb_timestep() if ($nstart<0);
+
+ # create .psf file
+
+ if (!$psf_ctrl)
+ {
+ psf_header();
+ psf_atoms();
+ psf_bonds();
+ }
+ else
+ {
+ system("rm ".$psf_name);
+ system("ln -s ".$psf_ctrl_name." ".$psf_name);
+ }
+
+ # add tail to files
+
+ #printf(PDB "END\n");
+ printf("\n") if ($info);
+ close(PDB);
+ close(PSF);
+
+ close(TRAJECT);
+ close(DATA);
+
diff --git a/tools/ch2lmp/main_manual b/tools/ch2lmp/main_manual
new file mode 100644
index 0000000000..f8a02454c2
--- /dev/null
+++ b/tools/ch2lmp/main_manual
@@ -0,0 +1,12 @@
+The charmm2lmp sub-directory contains tools for converting files back-and-forth between
+the CHARMM MD code and LAMMPS.
+
+The charmm2lammps.pl perl script converts CHARMM input files into LAMMPS input.
+The lammps2pdb.pl perl script converts LAMMPS dump files into a pdb series file.
+The mkpdb.f fortran 90 code also converts LAMMPS dump files into PDB files, and the
+mkdcd.f tool converts LAMMPS dump files into CHARMM *.dcd trajectory files that can
+be read-in to CHARMM for analysis. See the README file in the charmm2lmp sub-directory
+for more information.
+
+These tools were written by Pieter J. in 't Veld (pjintve@sandia.gov) and Paul Crozier
+(pscrozi@sandia.gov) at Sandia.
\ No newline at end of file
diff --git a/tools/ch2lmp/other/crd2pdb.pl b/tools/ch2lmp/other/crd2pdb.pl
new file mode 100755
index 0000000000..c0c4b31aac
--- /dev/null
+++ b/tools/ch2lmp/other/crd2pdb.pl
@@ -0,0 +1,35 @@
+#!/usr/sbin/perl
+
+die "Usage: crd2pdb crdfile pdbfile\n" if $#ARGV!=1;
+
+$occ=1.00;
+
+open(CRD, $ARGV[0]) || die "couldn't open $ARGV[0]:$!\n";
+open(PDB, ">$ARGV[1]") || die "couldn't open $ARGV[1]:$!\n";
+
+while (<CRD>)
+ {
+ if (/^\*/) # comment/header
+ {
+ s/\*\s*(.*)/REMARK $1/;
+ chomp;
+ print PDB "$_\n";
+ }
+ elsif (/^\s*(\d+)\s*$/) # number of atoms
+ {
+ $num_atoms=$1;
+ }
+ else #coordinate line
+ {
+ ($atom_num, $res_num, $res_name, $atom_name, $x,$y,$z, $segment,
+ $res_in_segment, $bfactor)=split(' ');
+# $res_name =~ s/^(...).*/$1/;
+ printf PDB
+# "ATOM %5d %4s %4s %4d %8.3f%8.3f%8.3f%6.2f%6.2f %-4s\n",
+ "ATOM %5d %4s %4s %4d %8.3f%8.3f%8.3f%6.2f%6.2f %-4s\n",
+ $atom_num, $atom_name, $res_name, $res_in_segment, $x,$y,$z,
+ $occ, $bfactor, $segment;
+ }
+
+ }
+print PDB "END\n";
diff --git a/tools/ch2lmp/other/in_mkdcd b/tools/ch2lmp/other/in_mkdcd
new file mode 100644
index 0000000000..c86c6f6fa7
--- /dev/null
+++ b/tools/ch2lmp/other/in_mkdcd
@@ -0,0 +1,10 @@
+10 :n_con_files
+0 :n_con_files_to_skip
+1000 :n_frames_per_con_file
+1 :n_frames_per_dump_to_dcd
+1000 :max_dcd_dumps_per_dcd_file
+0 :n_dcd_files_to_skip
+31666 :n_atoms_dump
+31666 :n_atoms_recenter
+/scratch2/pscrozi/dotap/con
+/scratch2/pscrozi/dotap/dotap
diff --git a/tools/ch2lmp/other/in_mkpdb b/tools/ch2lmp/other/in_mkpdb
new file mode 100755
index 0000000000..a3ee2c218c
--- /dev/null
+++ b/tools/ch2lmp/other/in_mkpdb
@@ -0,0 +1,9 @@
+20 :nconfig
+1000 :nper
+19 :nconfig_skip
+1 :nframes_between_pdbs
+33 :nprotein_residues -- # of residues from start used to recenter box
+/enfs/tmp/pscrozi/1/input1
+/enfs/tmp/pscrozi/1/con1_
+/enfs/tmp/pscrozi/1/pdb/h1_
+/enfs/tmp/pscrozi/1/h1_template.pdb
diff --git a/tools/ch2lmp/other/mkdcd.f b/tools/ch2lmp/other/mkdcd.f
new file mode 100644
index 0000000000..fe8faee8d4
--- /dev/null
+++ b/tools/ch2lmp/other/mkdcd.f
@@ -0,0 +1,322 @@
+c -------------------------------------------------------------------------
+c Code converts LAMMPS atom dumps to CHARMM .dcd files
+c Paul Crozier, SNL, 2003-2004
+c -------------------------------------------------------------------------
+
+ module global
+
+ integer, parameter :: max_atoms = 100000
+
+ real x(3,max_atoms)
+
+ real*8 xprd,yprd,zprd,box(2,3)
+
+ integer n_con_files
+ integer n_con_files_to_skip
+ integer n_frames_per_con_file
+ integer n_frames_per_dump_to_dcd
+ integer max_dcd_dumps_per_dcd_file
+ integer n_dcd_files_to_skip
+ integer n_frames
+ integer n_frames_to_skip
+ integer ith_frame
+ integer ith_dump_to_dcd
+ integer n_timesteps
+ integer n_atoms
+ integer n_frozen_atoms
+ integer n_atoms_dump
+ integer n_atoms_recenter
+ integer recenter_flag
+
+ character*76 con_file_path
+ character*76 dcd_file_path
+
+ end module
+
+c -------------------------------------------------------------------------
+c -------------------------------------------------------------------------
+
+ program mkdcd
+ use global
+ implicit none
+
+ call read_in_mkdcd
+
+ do ith_frame = n_frames_to_skip+1, n_frames
+ call find_config
+ call read_config
+ if (recenter_flag == 1) call recenter
+ if (mod(ith_frame,n_frames_per_dump_to_dcd) == 0) call mk_dcd
+ enddo
+
+ write(6,*) 'Done.'
+ stop
+ end
+
+c -------------------------------------------------------------------------
+
+ subroutine find_config
+ use global
+ implicit none
+
+ integer l,m,n,i,j,itag
+
+ real*8 buf(8)
+
+ if (mod((ith_frame-1),n_frames_per_con_file) == 0) then
+ n = (ith_frame-1)/n_frames_per_con_file + 1
+ write(6,*) 'On config file # ', n
+ close(21)
+ if (n < 10) then
+ open(21,file=trim(con_file_path)
+ $ //char(48+n),status='old')
+ elseif (n < 100) then
+ m = n/10
+ n = mod(n,10)
+ open(21,file=trim(con_file_path)
+ $ //char(48+m)//char(48+n),status='old')
+ else
+ l = n/100
+ m = (n - 100*l)/10
+ n = mod(n,10)
+ open(21,file=trim(con_file_path)
+ $ //char(48+l)//char(48+m)//char(48+n),status='old')
+ endif
+ rewind 21
+
+c skip the first frame of each config file
+
+ read(21,*)
+ read(21,*) n_timesteps
+ read(21,*)
+ read(21,*) n_atoms
+ read(21,*)
+ read(21,*) box(1,1),box(2,1)
+ read(21,*) box(1,2),box(2,2)
+ read(21,*) box(1,3),box(2,3)
+ read(21,*)
+
+ xprd = box(2,1) - box(1,1)
+ yprd = box(2,2) - box(1,2)
+ zprd = box(2,3) - box(1,3)
+
+ if (n_atoms > max_atoms) write(6,*) "n_atoms > max_atoms"
+
+ n_frozen_atoms = 1000000000
+ do i = 1, n_atoms
+ read (21,*) (buf(j),j=1,5)
+ itag = nint(buf(1))
+ n_frozen_atoms = min(itag,n_frozen_atoms)
+ enddo
+
+ n_frozen_atoms = n_frozen_atoms - 1
+
+ recenter_flag = 0
+ if (n_atoms_recenter < n_atoms) recenter_flag = 1
+
+ endif
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+ subroutine mk_dcd
+ use global
+ implicit none
+
+ real*8 xtlabc(6)
+
+ integer i
+
+ if (mod(ith_dump_to_dcd,max_dcd_dumps_per_dcd_file) == 0)
+ & call mk_dcd_start
+
+ ith_dump_to_dcd = ith_dump_to_dcd + 1
+
+ write(6,*) 'Frame # ', ith_frame,
+ & ', Dump to .dcd #', ith_dump_to_dcd
+
+ xtlabc(1) = xprd
+ xtlabc(2) = 0.0
+
+ xtlabc(3) = yprd
+ xtlabc(4) = 0.0
+ xtlabc(5) = 0.0
+ xtlabc(6) = zprd
+
+ write(26) xtlabc
+ write(26) (x(1,i), i=1,n_atoms_dump)
+ write(26) (x(2,i), i=1,n_atoms_dump)
+ write(26) (x(3,i), i=1,n_atoms_dump)
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+ subroutine mk_dcd_start
+ use global
+ implicit none
+
+ character*4 hdr
+
+ integer icntrl(20), nstr, n_dcd_file, n, m, l
+
+ write(6,*) 'Creating new .dcd file . . . '
+
+ n_dcd_file = ith_dump_to_dcd/max_dcd_dumps_per_dcd_file +
+ & n_dcd_files_to_skip + 1
+
+ close(26)
+ if (n_dcd_file < 10) then
+ open(26,file=trim(dcd_file_path)
+ $ //char(48+n_dcd_file)//'.dcd',form='unformatted')
+ elseif (n_dcd_file < 100) then
+ m = n_dcd_file/10
+ n = mod(n_dcd_file,10)
+ open(26,file=trim(dcd_file_path)
+ $ //char(48+m)//char(48+n)//'.dcd',form='unformatted')
+ else
+ l = n_dcd_file/100
+ m = (n_dcd_file - 100*l)/10
+ n = mod(n_dcd_file,10)
+ open(26,file=trim(dcd_file_path)//char(48+l)
+ $ //char(48+m)//char(48+n)//'.dcd',form='unformatted')
+ endif
+
+ hdr = 'CORD'
+ icntrl = 0
+ nstr = 0 ! number of strings in header
+ icntrl(1) = max_dcd_dumps_per_dcd_file ! number of frames in traj file
+ icntrl(2) = 1 ! number of steps in previous run
+ icntrl(3) = 1 ! frequency of saving
+ icntrl(4) = max_dcd_dumps_per_dcd_file ! total number of steps
+ icntrl(8) = n_atoms_dump*3 - 6 ! number of degrees of freedom
+ icntrl(10) = 981668463 ! coded time step
+ icntrl(11) = 1 ! coded crystallographic group (or zero)
+ icntrl(20) = 28 ! CHARMM version number
+
+ write(26) hdr, icntrl
+ write(26) nstr
+ write(26) n_atoms_dump
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+c input data from config file
+
+ subroutine read_config
+ use global
+ implicit none
+
+c local variables
+
+ integer i,j,itag,itrue
+
+ real*8 buf(8)
+
+ read(21,*)
+ read(21,*) n_timesteps
+ read(21,*)
+ read(21,*) n_atoms
+ read(21,*)
+ read(21,*) box(1,1),box(2,1)
+ read(21,*) box(1,2),box(2,2)
+ read(21,*) box(1,3),box(2,3)
+ read(21,*)
+
+ xprd = box(2,1) - box(1,1)
+ yprd = box(2,2) - box(1,2)
+ zprd = box(2,3) - box(1,3)
+
+ do i = 1, n_atoms
+ read (21,*) (buf(j),j=1,5)
+ itag = nint(buf(1)) - n_frozen_atoms
+ x(1,itag) = buf(3)*xprd + box(1,1)
+ x(2,itag) = buf(4)*yprd + box(1,2)
+ x(3,itag) = buf(5)*zprd + box(1,3)
+c x(1,i) = buf(3)*xprd + box(1,1)
+c x(2,i) = buf(4)*yprd + box(1,2)
+c x(3,i) = buf(5)*zprd + box(1,3)
+ enddo
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+c read data from in_mkdcd file
+
+ subroutine read_in_mkdcd
+ use global
+ implicit none
+
+ 100 format (a)
+
+ open(22,file='in_mkdcd')
+ rewind 22
+
+ read (22,*) n_con_files
+ read (22,*) n_con_files_to_skip
+ read (22,*) n_frames_per_con_file
+ read (22,*) n_frames_per_dump_to_dcd
+ read (22,*) max_dcd_dumps_per_dcd_file
+ read (22,*) n_dcd_files_to_skip
+ read (22,*) n_atoms_dump
+ read (22,*) n_atoms_recenter
+ read (22,100) con_file_path
+ read (22,100) dcd_file_path
+
+ n_frames = n_con_files * n_frames_per_con_file
+ n_frames_to_skip = n_con_files_to_skip * n_frames_per_con_file
+ ith_frame = n_frames_to_skip
+ ith_dump_to_dcd = 0
+
+ close (22)
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+c recenter box on the average position of the first n_atoms_recenter atoms
+
+ subroutine recenter
+ use global
+ implicit none
+
+ integer i
+ real*8 ave_x, ave_y, ave_z
+
+ ave_x = 0.0
+ ave_y = 0.0
+ ave_z = 0.0
+
+ do i = 1, n_atoms_recenter
+ ave_x = ave_x + x(1,i)
+ ave_y = ave_y + x(2,i)
+ ave_z = ave_z + x(3,i)
+ enddo
+
+ ave_x = ave_x/float(n_atoms_recenter)
+ ave_y = ave_y/float(n_atoms_recenter)
+ ave_z = ave_z/float(n_atoms_recenter)
+
+ do i = 1, n_atoms_dump
+ x(1,i) = x(1,i) - ave_x
+ x(2,i) = x(2,i) - ave_y
+ x(3,i) = x(3,i) - ave_z
+ enddo
+
+ do i = 1, n_atoms_dump
+ x(1,i) = x(1,i) - xprd*(nint(x(1,i)/xprd))
+ x(2,i) = x(2,i) - yprd*(nint(x(2,i)/yprd))
+ x(3,i) = x(3,i) - zprd*(nint(x(3,i)/zprd))
+ enddo
+
+ return
+ end
+
+c -------------------------------------------------------------------------
diff --git a/tools/ch2lmp/other/mkdcd_f77.f b/tools/ch2lmp/other/mkdcd_f77.f
new file mode 100644
index 0000000000..8eecce1948
--- /dev/null
+++ b/tools/ch2lmp/other/mkdcd_f77.f
@@ -0,0 +1,352 @@
+c -------------------------------------------------------------------------
+c Code converts LAMMPS atom dumps to CHARMM .dcd files
+c Paul Crozier, SNL, 2003
+c -------------------------------------------------------------------------
+c -------------------------------------------------------------------------
+
+ program mkdcd
+
+ parameter (max_atoms = 100000)
+ common/int_variables/ n_con_files, n_con_files_to_skip,
+ 1 n_frames_per_con_file, n_frames_per_dump_to_dcd,
+ 2 max_dcd_dumps_per_dcd_file, n_dcd_files_to_skip, n_frames,
+ 3 n_frames_to_skip, ith_frame, ith_dump_to_dcd, n_timesteps,
+ 4 n_atoms, n_frozen_atoms, n_atoms_dump, n_atoms_recenter,
+ 5 i_recenter_flag
+ common/real_variables/ xprd, yprd, zprd, box(2,3),
+ 1 x(3,max_atoms)
+ common/char_variables/ con_file_path, dcd_file_path
+ character*76 con_file_path
+ character*76 dcd_file_path
+
+ call read_in_mkdcd
+
+ do ith_frame = n_frames_to_skip+1, n_frames
+ call find_config
+ call read_config
+ if (i_recenter_flag == 1) call recenter
+ if (mod(ith_frame,n_frames_per_dump_to_dcd) == 0) call mk_dcd
+ enddo
+
+ write(6,*) 'Done.'
+ stop
+ end
+
+c -------------------------------------------------------------------------
+
+ subroutine find_config
+ parameter (max_atoms = 100000)
+ common/int_variables/ n_con_files, n_con_files_to_skip,
+ 1 n_frames_per_con_file, n_frames_per_dump_to_dcd,
+ 2 max_dcd_dumps_per_dcd_file, n_dcd_files_to_skip, n_frames,
+ 3 n_frames_to_skip, ith_frame, ith_dump_to_dcd, n_timesteps,
+ 4 n_atoms, n_frozen_atoms, n_atoms_dump, n_atoms_recenter,
+ 5 i_recenter_flag
+ common/real_variables/ xprd, yprd, zprd, box(2,3),
+ 1 x(3,max_atoms)
+ common/char_variables/ con_file_path, dcd_file_path
+ character*76 con_file_path
+ character*76 dcd_file_path
+
+ integer l,m,n,i,j,itag
+
+ real*8 buf(8)
+
+ if (mod((ith_frame-1),n_frames_per_con_file) == 0) then
+ n = (ith_frame-1)/n_frames_per_con_file + 1
+ write(6,*) 'On config file # ', n
+ close(21)
+ if (n < 10) then
+ open(21,file="conf"//char(48+n),status='old')
+ elseif (n < 100) then
+ m = n/10
+ n = mod(n,10)
+ open(21,file="conf"
+ $ //char(48+m)//char(48+n),status='old')
+ else
+ l = n/100
+ m = (n - 100*l)/10
+ n = mod(n,10)
+ open(21,file="conf"
+ $ //char(48+l)//char(48+m)//char(48+n),status='old')
+ endif
+ rewind 21
+
+c skip the first frame of each config file
+
+ read(21,*)
+ read(21,*) n_timesteps
+ read(21,*)
+ read(21,*) n_atoms
+ read(21,*)
+ read(21,*) box(1,1),box(2,1)
+ read(21,*) box(1,2),box(2,2)
+ read(21,*) box(1,3),box(2,3)
+ read(21,*)
+
+ xprd = box(2,1) - box(1,1)
+ yprd = box(2,2) - box(1,2)
+ zprd = box(2,3) - box(1,3)
+
+ if (n_atoms > max_atoms) write(6,*) "n_atoms > max_atoms"
+
+ n_frozen_atoms = 1000000000
+ do i = 1, n_atoms
+ read (21,*) (buf(j),j=1,5)
+ itag = nint(buf(1))
+ n_frozen_atoms = min(itag,n_frozen_atoms)
+ enddo
+
+ n_frozen_atoms = n_frozen_atoms - 1
+
+ i_recenter_flag = 0
+ if (n_atoms_recenter < n_atoms) i_recenter_flag = 1
+
+ endif
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+ subroutine mk_dcd
+ parameter (max_atoms = 100000)
+ common/int_variables/ n_con_files, n_con_files_to_skip,
+ 1 n_frames_per_con_file, n_frames_per_dump_to_dcd,
+ 2 max_dcd_dumps_per_dcd_file, n_dcd_files_to_skip, n_frames,
+ 3 n_frames_to_skip, ith_frame, ith_dump_to_dcd, n_timesteps,
+ 4 n_atoms, n_frozen_atoms, n_atoms_dump, n_atoms_recenter,
+ 5 i_recenter_flag
+ common/real_variables/ xprd, yprd, zprd, box(2,3),
+ 1 x(3,max_atoms)
+ common/char_variables/ con_file_path, dcd_file_path
+ character*76 con_file_path
+ character*76 dcd_file_path
+
+ real*8 xtlabc(6)
+
+ integer i
+
+ if (mod(ith_dump_to_dcd,max_dcd_dumps_per_dcd_file) == 0)
+ & call mk_dcd_start
+
+ ith_dump_to_dcd = ith_dump_to_dcd + 1
+
+ write(6,*) 'Frame # ', ith_frame,
+ & ', Dump to .dcd #', ith_dump_to_dcd
+
+ xtlabc(1) = xprd
+ xtlabc(2) = 0.0
+
+ xtlabc(3) = yprd
+ xtlabc(4) = 0.0
+ xtlabc(5) = 0.0
+ xtlabc(6) = zprd
+
+ write(26) xtlabc
+ write(26) (x(1,i), i=1,n_atoms_dump)
+ write(26) (x(2,i), i=1,n_atoms_dump)
+ write(26) (x(3,i), i=1,n_atoms_dump)
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+ subroutine mk_dcd_start
+ parameter (max_atoms = 100000)
+ common/int_variables/ n_con_files, n_con_files_to_skip,
+ 1 n_frames_per_con_file, n_frames_per_dump_to_dcd,
+ 2 max_dcd_dumps_per_dcd_file, n_dcd_files_to_skip, n_frames,
+ 3 n_frames_to_skip, ith_frame, ith_dump_to_dcd, n_timesteps,
+ 4 n_atoms, n_frozen_atoms, n_atoms_dump, n_atoms_recenter,
+ 5 i_recenter_flag
+ common/real_variables/ xprd, yprd, zprd, box(2,3),
+ 1 x(3,max_atoms)
+ common/char_variables/ con_file_path, dcd_file_path
+ character*76 con_file_path
+ character*76 dcd_file_path
+
+ character*4 hdr
+
+ integer icntrl(20), nstr, n_dcd_file, n, m
+
+ write(6,*) 'Creating new .dcd file . . . '
+
+ n_dcd_file = ith_dump_to_dcd/max_dcd_dumps_per_dcd_file +
+ & n_dcd_files_to_skip + 1
+
+ m = n_dcd_file/10
+ n = mod(n_dcd_file,10)
+
+ close(26)
+ open(26,file="out"
+ $ //char(48+m)//char(48+n)//'.dcd',form='unformatted')
+
+ hdr = 'CORD'
+ do n = 1,20
+ icntrl(n) = 0
+ enddo
+ nstr = 0 ! number of strings in header
+ icntrl(1) = max_dcd_dumps_per_dcd_file ! number of frames in traj file
+ icntrl(2) = 1 ! number of steps in previous run
+ icntrl(3) = 1 ! frequency of saving
+ icntrl(4) = max_dcd_dumps_per_dcd_file ! total number of steps
+ icntrl(8) = n_atoms_dump*3 - 6 ! number of degrees of freedom
+ icntrl(10) = 981668463 ! coded time step
+ icntrl(11) = 1 ! coded crystallographic group (or zero)
+ icntrl(20) = 28 ! CHARMM version number
+
+ write(26) hdr, icntrl
+ write(26) nstr
+ write(26) n_atoms_dump
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+c input data from config file
+
+ subroutine read_config
+ parameter (max_atoms = 100000)
+ common/int_variables/ n_con_files, n_con_files_to_skip,
+ 1 n_frames_per_con_file, n_frames_per_dump_to_dcd,
+ 2 max_dcd_dumps_per_dcd_file, n_dcd_files_to_skip, n_frames,
+ 3 n_frames_to_skip, ith_frame, ith_dump_to_dcd, n_timesteps,
+ 4 n_atoms, n_frozen_atoms, n_atoms_dump, n_atoms_recenter,
+ 5 i_recenter_flag
+ common/real_variables/ xprd, yprd, zprd, box(2,3),
+ 1 x(3,max_atoms)
+ common/char_variables/ con_file_path, dcd_file_path
+ character*76 con_file_path
+ character*76 dcd_file_path
+
+c local variables
+
+ integer i,j,itag,itrue
+
+ real*8 buf(8)
+
+ read(21,*)
+ read(21,*) n_timesteps
+ read(21,*)
+ read(21,*) n_atoms
+ read(21,*)
+ read(21,*) box(1,1),box(2,1)
+ read(21,*) box(1,2),box(2,2)
+ read(21,*) box(1,3),box(2,3)
+ read(21,*)
+
+ xprd = box(2,1) - box(1,1)
+ yprd = box(2,2) - box(1,2)
+ zprd = box(2,3) - box(1,3)
+
+ do i = 1, n_atoms
+ read (21,*) (buf(j),j=1,5)
+c itag = nint(buf(1)) - n_frozen_atoms
+c x(1,itag) = buf(3)*xprd + box(1,1)
+c x(2,itag) = buf(4)*yprd + box(1,2)
+c x(3,itag) = buf(5)*zprd + box(1,3)
+ x(1,i) = buf(3)*xprd + box(1,1)
+ x(2,i) = buf(4)*yprd + box(1,2)
+ x(3,i) = buf(5)*zprd + box(1,3)
+ enddo
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+c read data from in_mkdcd file
+
+ subroutine read_in_mkdcd
+ parameter (max_atoms = 100000)
+ common/int_variables/ n_con_files, n_con_files_to_skip,
+ 1 n_frames_per_con_file, n_frames_per_dump_to_dcd,
+ 2 max_dcd_dumps_per_dcd_file, n_dcd_files_to_skip, n_frames,
+ 3 n_frames_to_skip, ith_frame, ith_dump_to_dcd, n_timesteps,
+ 4 n_atoms, n_frozen_atoms, n_atoms_dump, n_atoms_recenter,
+ 5 i_recenter_flag
+ common/real_variables/ xprd, yprd, zprd, box(2,3),
+ 1 x(3,max_atoms)
+ common/char_variables/ con_file_path, dcd_file_path
+ character*76 con_file_path
+ character*76 dcd_file_path
+
+ 100 format (a)
+
+ open(22,file='in_mkdcd')
+ rewind 22
+
+ read (22,*) n_con_files
+ read (22,*) n_con_files_to_skip
+ read (22,*) n_frames_per_con_file
+ read (22,*) n_frames_per_dump_to_dcd
+ read (22,*) max_dcd_dumps_per_dcd_file
+ read (22,*) n_dcd_files_to_skip
+ read (22,*) n_atoms_dump
+ read (22,*) n_atoms_recenter
+ read (22,100) con_file_path
+ read (22,100) dcd_file_path
+
+ n_frames = n_con_files * n_frames_per_con_file
+ n_frames_to_skip = n_con_files_to_skip * n_frames_per_con_file
+ ith_frame = n_frames_to_skip
+ ith_dump_to_dcd = 0
+
+ close (22)
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+c recenter box on the average position of the first n_atoms_recenter atoms
+
+ subroutine recenter
+ parameter (max_atoms = 100000)
+ common/int_variables/ n_con_files, n_con_files_to_skip,
+ 1 n_frames_per_con_file, n_frames_per_dump_to_dcd,
+ 2 max_dcd_dumps_per_dcd_file, n_dcd_files_to_skip, n_frames,
+ 3 n_frames_to_skip, ith_frame, ith_dump_to_dcd, n_timesteps,
+ 4 n_atoms, n_frozen_atoms, n_atoms_dump, n_atoms_recenter,
+ 5 i_recenter_flag
+ common/real_variables/ xprd, yprd, zprd, box(2,3),
+ 1 x(3,max_atoms)
+ common/char_variables/ con_file_path, dcd_file_path
+ character*76 con_file_path
+ character*76 dcd_file_path
+
+ integer i
+ real*8 ave_x, ave_y, ave_z
+
+ ave_x = 0.0
+ ave_y = 0.0
+ ave_z = 0.0
+
+ do i = 1, n_atoms_recenter
+ ave_x = ave_x + x(1,i)
+ ave_y = ave_y + x(2,i)
+ ave_z = ave_z + x(3,i)
+ enddo
+
+ ave_x = ave_x/float(n_atoms_recenter)
+ ave_y = ave_y/float(n_atoms_recenter)
+ ave_z = ave_z/float(n_atoms_recenter)
+
+ do i = 1, n_atoms_dump
+ x(1,i) = x(1,i) - ave_x
+ x(2,i) = x(2,i) - ave_y
+ x(3,i) = x(3,i) - ave_z
+ enddo
+
+ do i = 1, n_atoms_dump
+ x(1,i) = x(1,i) - xprd*(nint(x(1,i)/xprd))
+ x(2,i) = x(2,i) - xprd*(nint(x(2,i)/yprd))
+ x(3,i) = x(3,i) - xprd*(nint(x(3,i)/zprd))
+ enddo
+
+ return
+ end
+
+c -------------------------------------------------------------------------
diff --git a/tools/ch2lmp/other/mkpdb.f b/tools/ch2lmp/other/mkpdb.f
new file mode 100644
index 0000000000..7776316b47
--- /dev/null
+++ b/tools/ch2lmp/other/mkpdb.f
@@ -0,0 +1,469 @@
+c -------------------------------------------------------------------------
+c Code converts LAMMPS output to .pdb files
+c Overlays coordinates from LAMMPS output onto template pdb
+c Assumes atom order is the same between the two
+c Converts from atom-based pbc to residue-based pbc
+c Also assumes starting config fed to LAMMPS had residue-based pbc
+c Paul Crozier, SNL, 2002
+c -------------------------------------------------------------------------
+
+ module global
+
+ real*8 xprd,yprd,zprd,box(2,3)
+
+ real*8, allocatable :: x(:,:),q(:),mass(:)
+ real*8, allocatable :: comx(:),comy(:),comz(:),totmass(:)
+
+ integer ntimestep,natoms,nframes,iframe,nper
+ integer nbonds,nangles,ndihedrals,nimpropers,ntypes
+ integer nbondtypes,nangletypes,ndihedtypes,nimprotypes
+ integer nconfig,nconfig_skip,nskip,nframes_between_pdbs
+ integer nmolecules,nprotein_residues
+
+ integer, allocatable :: mytrue(:,:),type(:),molecule(:)
+ integer, allocatable :: nboxx(:),nboxy(:),nboxz(:)
+
+ character*200 data_file_path,config_file_path,pdb_file_path
+ character*200 compare_file_path
+
+ character*76, allocatable :: outbeg(:),outend(:)
+
+ end module
+
+c -------------------------------------------------------------------------
+c -------------------------------------------------------------------------
+
+ program mkpdb
+ use global
+ implicit none
+
+ call read_in_mkpdb
+ call read_data
+ call mkpdb_start
+
+ do iframe = nskip+1, nframes
+ call find_config
+ call read_config
+ write(6,*) 'Frame # ', iframe
+ if (mod(iframe,nframes_between_pdbs) == 0) call mk_pdb
+ enddo
+
+ write(6,*) 'Done.'
+ stop
+ end
+
+c -------------------------------------------------------------------------
+
+ subroutine find_config
+ use global
+ implicit none
+
+ integer l,m,n,i,j,ntotal
+
+ real*8 buf(8)
+
+ if (mod((iframe-1),nper) == 0) then
+ n = (iframe-1)/nper + 1
+ write(6,*) 'On config file # ', n
+ close(21)
+c l = n/100
+c m = n/10 - l*10
+c n = mod(n,10)
+ open(21,file=trim(config_file_path)
+ $ //char(48+n),status='old')
+ rewind 21
+
+c skip the first frame of each config file
+
+ read(21,*)
+ read(21,*) ntimestep
+ read(21,*)
+ read(21,*) ntotal
+ read(21,*)
+ read(21,*) box(1,1),box(2,1)
+ read(21,*) box(1,2),box(2,2)
+ read(21,*) box(1,3),box(2,3)
+ read(21,*)
+
+ if (ntotal /= natoms) write(6,*) 'Mismatch # of atoms'
+
+ do i = 1, natoms
+ read (21,*) (buf(j),j=1,5)
+ enddo
+
+ endif
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+ logical function match(str1,str2,m)
+ implicit none
+
+ character*(*) str1,str2
+ integer m
+
+ match = .FALSE.
+ m = len(str1) + 1
+ if (len(str1).gt.len(str2)) return
+ if (str1.eq.str2(1:len(str1))) match = .TRUE.
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+ subroutine mk_pdb
+ use global
+ implicit none
+
+ integer i,j,k,l,m,n,o,imolecule,ith_pdb
+ real*8 xx,yy,zz,shiftx,shifty,shiftz,proteinmass
+
+ ith_pdb = iframe/nframes_between_pdbs
+ j = ith_pdb/1E4
+ k = (ith_pdb - j*1E4)/1E3
+ l = (ith_pdb - j*1E4 - k*1E3)/1E2
+ m = (ith_pdb - j*1E4 - k*1E3 - l*1E2)/1E1
+ n = (ith_pdb - j*1E4 - k*1E3 - l*1E2 - m*1E1)
+
+ open(26,file=trim(pdb_file_path)//char(48+j)//char(48+k)//
+ 1 char(48+l)//char(48+m)//char(48+n)//'.pdb')
+
+c Have to convert from pbc applied on an atomic basis to pbc applied
+c on a residue basis.
+
+c Step 1: Recenter system based on protein c.o.m.
+
+ shiftx = 0.0
+ shifty = 0.0
+ shiftz = 0.0
+ proteinmass = 0.0
+
+ do i = 1, natoms
+ imolecule = molecule(i)
+ if (imolecule <= nprotein_residues) then
+ shiftx = shiftx + (x(1,i) + mytrue(1,i)*xprd)*mass(type(i))
+ shifty = shifty + (x(2,i) + mytrue(2,i)*yprd)*mass(type(i))
+ shiftz = shiftz + (x(3,i) + mytrue(3,i)*zprd)*mass(type(i))
+ proteinmass = proteinmass + mass(type(i))
+ endif
+ enddo
+
+ shiftx = shiftx/proteinmass
+ shifty = shifty/proteinmass
+ shiftz = shiftz/proteinmass
+
+ do i = 1, natoms
+ x(1,i) = x(1,i) - shiftx
+ x(2,i) = x(2,i) - shifty
+ x(3,i) = x(3,i) - shiftz
+ enddo
+
+c Step 2: Find the c.o.m. of each residue --- "molecule"
+
+ do i = 1, nmolecules
+ comx(i) = 0.0
+ comy(i) = 0.0
+ comz(i) = 0.0
+ totmass(i) = 0.0
+ enddo
+
+ do i = 1, natoms
+ imolecule = molecule(i)
+ comx(imolecule) = comx(imolecule) +
+ 1 (x(1,i) + mytrue(1,i)*xprd)*mass(type(i))
+ comy(imolecule) = comy(imolecule) +
+ 1 (x(2,i) + mytrue(2,i)*yprd)*mass(type(i))
+ comz(imolecule) = comz(imolecule) +
+ 1 (x(3,i) + mytrue(3,i)*zprd)*mass(type(i))
+ totmass(imolecule) = totmass(imolecule) + mass(type(i))
+ enddo
+
+ do i = 1, nmolecules
+ comx(i) = comx(i)/totmass(i)
+ comy(i) = comy(i)/totmass(i)
+ comz(i) = comz(i)/totmass(i)
+ enddo
+
+c Step 3: Decide how many boxes must be moved in each direction
+
+ do i = 1, nmolecules
+ nboxx(i) = nint(comx(i)/xprd)
+ nboxy(i) = nint(comy(i)/yprd)
+ nboxz(i) = nint(comz(i)/zprd)
+ enddo
+
+c Step 4: Apply moves to atoms. Write pdb file.
+
+ do i = 1, natoms
+ imolecule = molecule(i)
+ xx = x(1,i) + (mytrue(1,i) - nboxx(imolecule))*xprd
+ yy = x(2,i) + (mytrue(2,i) - nboxy(imolecule))*yprd
+ zz = x(3,i) + (mytrue(3,i) - nboxz(imolecule))*zprd
+ write(26,100) outbeg(i),xx,yy,zz,outend(i)
+ enddo
+ 100 format(a30,3f8.3,a22)
+ write(26,200) 'END'
+ 200 format(a3)
+
+ close(26)
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+ subroutine mkpdb_start
+ use global
+ implicit none
+
+ integer i
+ character*76 pdbline(natoms),str
+
+ open(25,file=trim(compare_file_path),status='old')
+ rewind 25
+ do i = 1, natoms
+ read(25,100) pdbline(i)
+ enddo
+
+ 100 format (a)
+
+ do i = 1, natoms
+ str = pdbline(i)
+ read (str(1:30),100) outbeg(i)
+ read (str(55:76),100) outend(i)
+ enddo
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+c input data from config file
+
+ subroutine read_config
+ use global
+ implicit none
+
+c local variables
+
+ integer i,j,itag,itrue,ntotal
+
+ real*8 buf(8)
+
+ read(21,*)
+ read(21,*) ntimestep
+ read(21,*)
+ read(21,*) ntotal
+ read(21,*)
+ read(21,*) box(1,1),box(2,1)
+ read(21,*) box(1,2),box(2,2)
+ read(21,*) box(1,3),box(2,3)
+ read(21,*)
+
+ if (ntotal /= natoms) write(6,*) 'Mismatch # of atoms'
+
+ xprd = box(2,1) - box(1,1)
+ yprd = box(2,2) - box(1,2)
+ zprd = box(2,3) - box(1,3)
+
+ do i = 1, natoms
+ read (21,*) (buf(j),j=1,5)
+ itag = nint(buf(1))
+ type(itag)= nint(buf(2))
+ x(1,itag) = buf(3)*xprd + box(1,1)
+ x(2,itag) = buf(4)*yprd + box(1,2)
+ x(3,itag) = buf(5)*zprd + box(1,3)
+ mytrue(1,itag) = 0
+ mytrue(2,itag) = 0
+ mytrue(3,itag) = 0
+ enddo
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+c read data from input file
+
+ subroutine read_data
+ use global
+ implicit none
+
+c local variables
+
+ logical match
+ integer i,j,jtmp,m,itag
+ real*8 buf(7)
+ character*80 str
+
+ 900 format (a)
+
+ open(27,file=trim(data_file_path),status='old')
+ rewind 27
+
+ read (27,*)
+ read (27,*)
+ read (27,*) natoms
+ read (27,*) nbonds
+ read (27,*) nangles
+ read (27,*) ndihedrals
+ read (27,*) nimpropers
+ read (27,*)
+ read (27,*) ntypes
+ if (nbonds.gt.0) read (27,*) nbondtypes
+ if (nangles.gt.0) read (27,*) nangletypes
+ if (ndihedrals.gt.0) read (27,*) ndihedtypes
+ if (nimpropers.gt.0) read (27,*) nimprotypes
+ read (27,*)
+ read (27,*)
+ read (27,*)
+ read (27,*)
+
+ allocate(q(natoms))
+ allocate(type(natoms))
+ allocate(molecule(natoms))
+ allocate(mass(natoms))
+ allocate(x(3,natoms))
+ allocate(mytrue(3,natoms))
+ allocate(outbeg(natoms))
+ allocate(outend(natoms))
+
+ do
+
+ read (27,*,end=999,err=999)
+ read (27,900,end=999,err=999) str
+ read (27,*,end=999,err=999)
+
+ if (match('All Done',str,m)) then
+
+ goto 999
+
+ else if (match('Masses',str,m)) then
+
+ write (6,*) 'Masses ...'
+
+ do i = 1,ntypes
+ read (27,*) jtmp,mass(i)
+ enddo
+
+ else if (match('Atoms',str,m)) then
+
+ write (6,*) 'Atoms ...'
+
+ do i = 1,natoms
+ read (27,*) (buf(j),j=1,7)
+ itag = nint(buf(1))
+ molecule(itag) = nint(buf(2))
+ type(itag) = nint(buf(3))
+ q(itag) = buf(4)
+ enddo
+
+ else if (match('Bonds',str,m)) then
+
+ do i = 1,nbonds
+ read (27,*)
+ enddo
+
+ else if (match('Angles',str,m)) then
+
+ do i = 1,nangles
+ read (27,*)
+ enddo
+
+ else if (match('Impropers',str,m)) then
+
+ do i = 1,nimpropers
+ read (27,*)
+ enddo
+
+ else if (match('Pair Coeffs',str,m)) then
+
+ write (6,*) 'Pair Coeffs ...'
+
+ do i = 1,ntypes
+ read (27,*)
+ enddo
+
+ else if (match('Bond Coeffs',str,m)) then
+
+ do i = 1,nbondtypes
+ read (27,*)
+ enddo
+
+ else if (match('Angle Coeffs',str,m)) then
+
+ do i = 1,nangletypes
+ read (27,*)
+ enddo
+
+ else if (match('Dihedral Coeffs',str,m)) then
+
+ do i = 1,ndihedtypes
+ read (27,*)
+ enddo
+
+ else if (match('Dihedrals',str,m)) then
+
+ do i = 1,ndihedrals
+ read (27,*)
+ enddo
+
+ goto 999
+
+ else
+ write (6,*) 'UNKNOWN: ',trim(str)
+ write (6,*) 'Unknown identifier in data file'
+ endif
+
+ enddo
+
+ 999 continue
+
+ close (27)
+
+ nmolecules = molecule(natoms)
+ allocate(nboxx(nmolecules))
+ allocate(nboxy(nmolecules))
+ allocate(nboxz(nmolecules))
+ allocate(comx(nmolecules))
+ allocate(comy(nmolecules))
+ allocate(comz(nmolecules))
+ allocate(totmass(nmolecules))
+
+ return
+ end
+
+c -------------------------------------------------------------------------
+
+c read data from in_mkpdb file
+
+ subroutine read_in_mkpdb
+ use global
+ implicit none
+
+ 100 format (a)
+
+ open(22,file='in_mkpdb')
+ rewind 22
+
+ read (22,*) nconfig
+ read (22,*) nper
+ read (22,*) nconfig_skip
+ read (22,*) nframes_between_pdbs
+ read (22,*) nprotein_residues
+ read (22,100) data_file_path
+ read (22,100) config_file_path
+ read (22,100) pdb_file_path
+ read (22,100) compare_file_path
+
+ nframes = nconfig*nper
+ nskip = nconfig_skip*nper
+ iframe = nskip
+
+ close (22)
+
+ return
+ end
+
+c -------------------------------------------------------------------------
diff --git a/tools/ch2lmp/other/pdb_to_crd.f b/tools/ch2lmp/other/pdb_to_crd.f
new file mode 100644
index 0000000000..2732c5c826
--- /dev/null
+++ b/tools/ch2lmp/other/pdb_to_crd.f
@@ -0,0 +1,98 @@
+c Reads PDB file, writes out charmm file
+c Uses a temp file
+c PDB format
+c text IATOM TYPE RES IRES X Y Z W
+c A6 I5 2X A4 A4 I5 4X 3F8.3 6X F6.2
+c charmm format
+c ATOMNO RESNO RES TYPE X Y Z SEGID RESID Weighting
+c I5 I5 1X A4 1X A4 F10.5 F10.5 F10.5 1X A4 1X A4 F10.5
+c
+c
+ character*80 infile,outfile,line
+ character*4 str1,type,res,code,segid,resid,residold,resold
+ character*1 chain
+ logical loxt(1000)
+ write (6,*) 'Give input PDB files, output will be .crd'
+1 read (5,'(a)') infile
+ i=1
+2 i=i+1
+ if (infile(i:i).eq.' ') then
+ outfile=infile(1:i-1)//'.crd'
+ else
+ goto 2
+ endif
+ open (unit=11, file=infile, status='old')
+ open (unit=12, file='temppdb', status='unknown')
+ open (unit=13, file=outfile, status='new')
+ write (13,'(a80)') '* converted from '//infile
+ write (13,'(a)') '*'
+ do 4 i=1,1000
+4 loxt(i)=.false.
+ nss=0
+ ires=0
+ iat=0
+ residold=' '
+ resold=' '
+ do 100 i=1,100000
+ read (11,'(a80)',end=1000) line
+ read (unit=line,fmt=500) str1
+ if (str1.eq.'SSBO') then
+ nss=nss+1
+ goto 100
+ else if (str1.eq.'ATOM') then
+ iat= iat+1
+ read (unit=line,fmt=500) str1,iatom,type,res,chain,resid,
+ & x,y,z,a,w,code
+500 format (a4,2x,i5,1x,a4,1x,a4,a1,a4,4x,3f8.3,2f6.2,6x,a4)
+ if ((resid.ne.residold).or.(res.ne.resold)) ires=ires+1
+ residold=resid
+ resold= res
+ if (chain.ne.' ') then
+ segid=chain//code
+ elseif (code.ne.' ') then
+ segid=code
+ else
+ segid='MAIN'
+ endif
+ if (type.eq.'CD1 ') then
+ if (res.eq.'ILE ') type='CD '
+ elseif (type.eq.'OCT1') then
+ type='OT1 '
+ elseif (type.eq.'OCT2') then
+ type='OT2 '
+ elseif (type.eq.'OXT ') then
+ type='OT2 '
+ loxt(ires)=.true.
+ endif
+c fluch resid left
+5 if (resid(1:1).eq.' ') then
+ resid=resid(2:4)//' '
+ goto 5
+ endif
+6 if (type(1:1).eq.' ') then
+ type=type(2:4)//' '
+ goto 6
+ endif
+ write (12,600) iat,ires,res,type,x,y,z,segid,resid,w
+600 format (I5,I5,1X,A4,1X,A4,3F10.5,1X,A4,1X,a4,F10.5)
+ else
+ goto 100
+ endif
+100 continue
+1000 write (6,*) 'Disulfide bonds', nss
+ nres=ires
+ write (13,'(i5)') iat
+ close (unit=12)
+ open (unit=12,file='temppdb',status='old')
+ do 200 i=1,100000
+ read (12,'(a80)',end=2000) line
+ read (unit=line,fmt=600) iatom,ires,res,type,x,y,z,segid,resid,w
+ if (loxt(ires).and.(type.eq.'O ')) type='OT1 '
+ write (13,600) iatom,ires,res,type,x,y,z,segid,resid,w
+200 continue
+2000 close (unit=11)
+ close (unit=12)
+ close (unit=13)
+ goto 1
+ end
+
diff --git a/tools/chain.f b/tools/chain.f
new file mode 100644
index 0000000000..d10d50b20d
--- /dev/null
+++ b/tools/chain.f
@@ -0,0 +1,321 @@
+c Create LAMMPS data file for collection of
+c polymer bead-spring chains of various lengths and bead sizes
+c Syntax: chain < def.chain > data.file
+c def.chain is input file that specifies the chains
+c data.file is output file that will be input for LAMMPS
+c includes image flags in data file so chains can be unraveled later
+
+ program chain
+
+ integer swaptype
+ integer, allocatable :: nchain(:),nmonomer(:)
+ integer, allocatable :: ntype(:),nbondtype(:)
+ integer, allocatable :: type(:),molecule(:)
+ integer, allocatable :: imagex(:),imagey(:),imagez(:)
+ real*8, allocatable :: x(:),y(:),z(:)
+ real*8, allocatable :: bondlength(:),restrict(:)
+ common xprd,yprd,zprd,xboundlo,xboundhi,
+ $ yboundlo,yboundhi,zboundlo,zboundhi
+ real*8 random
+ 900 format(a)
+ 901 format(2f10.6,a)
+ 902 format(i3,f5.1)
+ 903 format(i6,i4,i4,3f10.4,3i4)
+ 904 format(i6,i3,2i6)
+
+c read chain definitions
+
+ read (5,*)
+ read (5,*)
+ read (5,*) rhostar
+ read (5,*) iseed
+ read (5,*) nsets
+ read (5,*) swaptype
+
+ allocate(nchain(nsets))
+ allocate(nmonomer(nsets))
+ allocate(ntype(nsets))
+ allocate(nbondtype(nsets))
+ allocate(bondlength(nsets))
+ allocate(restrict(nsets))
+
+ do iset = 1,nsets
+ read (5,*)
+ read (5,*) nchain(iset)
+ read (5,*) nmonomer(iset)
+ read (5,*) ntype(iset)
+ read (5,*) nbondtype(iset)
+ read (5,*) bondlength(iset)
+ read (5,*) restrict(iset)
+ enddo
+
+c natoms = total # of monomers
+
+ natoms = 0
+ do iset = 1,nsets
+ natoms = natoms + nchain(iset)*nmonomer(iset)
+ enddo
+
+ allocate(x(natoms))
+ allocate(y(natoms))
+ allocate(z(natoms))
+ allocate(type(natoms))
+ allocate(molecule(natoms))
+ allocate(imagex(natoms))
+ allocate(imagey(natoms))
+ allocate(imagez(natoms))
+
+c setup box size (sigma = 1.0)
+
+ volume = natoms/rhostar
+ xprd = volume**(1.0/3.0)
+ yprd = xprd
+ zprd = xprd
+
+ xboundlo = -xprd/2.0
+ xboundhi = -xboundlo
+ yboundlo = xboundlo
+ yboundhi = xboundhi
+ zboundlo = xboundlo
+ zboundhi = xboundhi
+
+c generate random chains
+c loop over sets and chains in each set
+
+ n = 0
+ nmolecule = 0
+
+ do iset = 1,nsets
+ do ichain = 1,nchain(iset)
+ nmolecule = nmolecule + 1
+
+c random starting point for the chain in the box
+
+ x1 = 0.0
+ y1 = 0.0
+ z1 = 0.0
+ x2 = xboundlo + random(iseed)*xprd
+ y2 = yboundlo + random(iseed)*yprd
+ z2 = zboundlo + random(iseed)*zprd
+
+c store 1st monomer of chain
+c 1st monomer is always in original box (image = 0)
+
+ call pbc(x2,y2,z2)
+ n = n + 1
+ x(n) = x2
+ y(n) = y2
+ z(n) = z2
+ type(n) = ntype(iset)
+ imagex(n) = 0
+ imagey(n) = 0
+ imagez(n) = 0
+ if (swaptype == 0) then
+ molecule(n) = nmolecule
+ else
+ molecule(n) = 1
+ endif
+
+c generate rest of monomers in this chain
+
+ do imonomer = 2,nmonomer(iset)
+
+ x0 = x1
+ y0 = y1
+ z0 = z1
+ x1 = x2
+ y1 = y2
+ z1 = z2
+
+c random point inside sphere of unit radius
+
+ 10 xinner = 2.0*random(iseed) - 1.0
+ yinner = 2.0*random(iseed) - 1.0
+ zinner = 2.0*random(iseed) - 1.0
+ rsq = xinner*xinner + yinner*yinner + zinner*zinner
+ if (rsq > 1.0) goto 10
+
+c project point to surface of sphere of unit radius
+
+ r = sqrt(rsq)
+ xsurf = xinner/r
+ ysurf = yinner/r
+ zsurf = zinner/r
+
+c create new point by scaling unit offsets by bondlength (sigma = 1.0)
+
+ x2 = x1 + xsurf*bondlength(iset)
+ y2 = y1 + ysurf*bondlength(iset)
+ z2 = z1 + zsurf*bondlength(iset)
+
+c check that new point meets restriction requirement
+c only for 3rd monomer and beyond
+
+ dx = x2 - x0
+ dy = y2 - y0
+ dz = z2 - z0
+ r = sqrt(dx*dx + dy*dy + dz*dz)
+
+ if (imonomer > 2 .and. r <= restrict(iset)) goto 10
+
+c store new point
+c if delta to previous bead is large, then increment/decrement image flag
+
+ call pbc(x2,y2,z2)
+ n = n + 1
+ x(n) = x2
+ y(n) = y2
+ z(n) = z2
+ type(n) = ntype(iset)
+
+ if (abs(x(n)-x(n-1)) < 2.0*bondlength(iset)) then
+ imagex(n) = imagex(n-1)
+ else if (x(n) - x(n-1) < 0.0) then
+ imagex(n) = imagex(n-1) + 1
+ else if (x(n) - x(n-1) > 0.0) then
+ imagex(n) = imagex(n-1) - 1
+ endif
+
+ if (abs(y(n)-y(n-1)) < 2.0*bondlength(iset)) then
+ imagey(n) = imagey(n-1)
+ else if (y(n) - y(n-1) < 0.0) then
+ imagey(n) = imagey(n-1) + 1
+ else if (y(n) - y(n-1) > 0.0) then
+ imagey(n) = imagey(n-1) - 1
+ endif
+
+ if (abs(z(n)-z(n-1)) < 2.0*bondlength(iset)) then
+ imagez(n) = imagez(n-1)
+ else if (z(n) - z(n-1) < 0.0) then
+ imagez(n) = imagez(n-1) + 1
+ else if (z(n) - z(n-1) > 0.0) then
+ imagez(n) = imagez(n-1) - 1
+ endif
+
+ if (swaptype == 0) then
+ molecule(n) = nmolecule
+ else if (swaptype == 1) then
+ molecule(n) = imonomer
+ else if (swaptype == 2) then
+ if (imonomer <= nmonomer(iset)/2) then
+ molecule(n) = imonomer
+ else
+ molecule(n) = nmonomer(iset)+1-imonomer
+ endif
+ endif
+
+ enddo
+
+ enddo
+ enddo
+
+c compute quantities needed for LAMMPS file
+
+ nbonds = 0
+ ntypes = 0
+ nbondtypes = 0
+ do iset = 1,nsets
+ nbonds = nbonds + nchain(iset)*(nmonomer(iset)-1)
+ if (ntype(iset) > ntypes) ntypes = ntype(iset)
+ if (nbondtype(iset) > nbondtypes)
+ $ nbondtypes = nbondtype(iset)
+ enddo
+
+c write out LAMMPS file
+
+ write (6,900) 'LAMMPS FENE chain data file'
+ write (6,*)
+
+ write (6,*) natoms,' atoms'
+ write (6,*) nbonds,' bonds'
+ write (6,*) 0,' angles'
+ write (6,*) 0,' dihedrals'
+ write (6,*) 0,' impropers'
+ write (6,*)
+
+ write (6,*) ntypes,' atom types'
+ write (6,*) nbondtypes,' bond types'
+ write (6,*) 0,' angle types'
+ write (6,*) 0,' dihedral types'
+ write (6,*) 0,' improper types'
+ write (6,*)
+
+ write (6,901) xboundlo,xboundhi,' xlo xhi'
+ write (6,901) yboundlo,yboundhi,' ylo yhi'
+ write (6,901) zboundlo,zboundhi,' zlo zhi'
+
+ write (6,*)
+ write (6,900) 'Masses'
+ write (6,*)
+
+ do i = 1,ntypes
+ write (6,902) i,1.0
+ enddo
+
+ write (6,*)
+ write (6,900) 'Atoms'
+ write (6,*)
+
+ do i = 1,natoms
+ write (6,903) i,molecule(i),type(i),x(i),y(i),z(i),
+ $ imagex(i),imagey(i),imagez(i)
+ enddo
+
+ if (nbonds > 0) then
+
+ write (6,*)
+ write (6,900) 'Bonds'
+ write (6,*)
+
+ n = 0
+ m = 0
+ do iset = 1,nsets
+ do ichain = 1,nchain(iset)
+ do imonomer = 1,nmonomer(iset)
+ n = n + 1
+ if (imonomer /= nmonomer(iset)) then
+ m = m + 1
+ write (6,904) m,nbondtype(iset),n,n+1
+ endif
+ enddo
+ enddo
+ enddo
+
+ endif
+
+ end
+
+c ************
+c Subroutines
+c ************
+
+c periodic boundary conditions - map atom back into periodic box
+
+ subroutine pbc(x,y,z)
+ common xprd,yprd,zprd,xboundlo,xboundhi,
+ $ yboundlo,yboundhi,zboundlo,zboundhi
+
+ if (x < xboundlo) x = x + xprd
+ if (x >= xboundhi) x = x - xprd
+ if (y < yboundlo) y = y + yprd
+ if (y >= yboundhi) y = y - yprd
+ if (z < zboundlo) z = z + zprd
+ if (z >= zboundhi) z = z - zprd
+
+ return
+ end
+
+
+c RNG from Numerical Recipes
+
+ real*8 function random(iseed)
+ real*8 aa,mm,sseed
+ parameter (aa=16807.0D0,mm=2147483647.0D0)
+
+ sseed = iseed
+ sseed = mod(aa*sseed,mm)
+ random = sseed/mm
+ iseed = sseed
+
+ return
+ end
diff --git a/tools/data2xmovie.c b/tools/data2xmovie.c
new file mode 100644
index 0000000000..634de2cb4f
--- /dev/null
+++ b/tools/data2xmovie.c
@@ -0,0 +1,366 @@
+/* data2xmovie tool
+
+ read LAMMPS data file as input
+ write a snapshot in XMOVIE format
+
+ Syntax: data2xmovie [options] < infile > outfile
+
+ Options:
+
+ -style atom_style
+
+ use the LAMMPS atom style that corresponds to this file
+ e.g. atomic or bond or angle or full or eam or granular
+ will be used for reading and writing files
+ if not specified, atom_style = full
+
+ -unmap
+
+ unmap all input atom positions using input image flags
+ image flags must be specified in infile
+ default is to leave atoms mapped to periodic box
+
+ -inbox xlo xhi ylo yhi zlo zhi
+
+ use these values for the output bounding box of the system
+ useful if are unmapping atoms into a larger domain
+ if not specified use the box bounds read in from infile
+*/
+
+#include <string.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include <math.h>
+
+struct box {
+ double xlo,xhi,xsize;
+ double ylo,yhi,ysize;
+ double zlo,zhi,zsize;
+};
+
+#define MAXLINE 1000
+
+#define ATOMIC 1
+#define BOND 2
+#define ANGLE 3
+#define FULL 4
+#define EAM 5
+#define GRANULAR 6
+
+main(int argc, char *argv[])
+
+{
+ char line[1000]; /* strings for reading/parsing input file */
+ char linetoken[1000];
+ char *token;
+ /* numbers of various quantities as read in */
+
+ int natoms,nbonds,nangles,ndihedrals,nimpropers;
+ int ntypes,nbondtypes,nangletypes,ndihedtypes,nimprotypes;
+
+ int nmolecules; /* total # of mols specified by mol tags */
+
+ int atomstyle; /* atomstyle for read/write of Atoms */
+ int unmap; /* 0 = no unmapping, 1 = unmap from input box */
+ int outbox; /* flag for whether out box is explicitly set */
+
+ struct box in,out; /* input/output bounding box */
+
+ char *gettoken(char *, int); /* function defs */
+ void skipline(int);
+
+ /* default input values */
+
+ atomstyle = 0;
+ unmap = 0;
+ outbox = 0;
+
+ /* read input options from command line
+ should do more error checking for missing args */
+
+ int i = 1;
+ while (i < argc) {
+
+ if (!strcmp(argv[i],"-style")) {
+ if (strcmp(argv[i+1],"atomic") == 0) atomstyle = ATOMIC;
+ else if (strcmp(argv[i+1],"bond") == 0) atomstyle = BOND;
+ else if (strcmp(argv[i+1],"angle") == 0) atomstyle = ANGLE;
+ else if (strcmp(argv[i+1],"full") == 0) atomstyle = FULL;
+ else if (strcmp(argv[i+1],"eam") == 0) atomstyle = EAM;
+ else if (strcmp(argv[i+1],"granular") == 0) atomstyle = GRANULAR;
+ else {
+ fprintf(stderr,"Error with command-line arg style\n");
+ exit(1);
+ }
+ i += 2;
+ } else if (!strcmp(argv[i],"-unmap")) {
+ unmap = 1;
+ i += 1;
+ } else if (!strcmp(argv[i],"-inbox")) {
+ outbox = 1;
+ sscanf(argv[i+1],"%lg",&out.xlo);
+ sscanf(argv[i+2],"%lg",&out.xhi);
+ sscanf(argv[i+3],"%lg",&out.ylo);
+ sscanf(argv[i+4],"%lg",&out.yhi);
+ sscanf(argv[i+5],"%lg",&out.zlo);
+ sscanf(argv[i+6],"%lg",&out.zhi);
+ i += 7;
+ } else {
+ fprintf(stderr,"Syntax error: data2xmovie [options] < infile > outfile\n");
+ exit(1);
+ }
+ }
+
+ /* error checks */
+
+ if (atomstyle == 0) {
+ fprintf(stderr,"ERROR: must use -style to set atom style\n");
+ exit(1);
+ }
+
+ /* defaults */
+
+ natoms = nbonds = nangles = ndihedrals = nimpropers = 0;
+ ntypes = nbondtypes = nangletypes = ndihedtypes = nimprotypes = 0;
+
+ /* read header */
+
+ fgets(line,MAXLINE,stdin);
+
+ while (1) {
+ fgets(line,MAXLINE,stdin);
+
+ if (strspn(line," \t\n\r") == strlen(line)) continue;
+ else if (strstr(line,"atoms")) sscanf(line,"%d",&natoms);
+ else if (strstr(line,"bonds")) sscanf(line,"%d",&nbonds);
+ else if (strstr(line,"angles")) sscanf(line,"%d",&nangles);
+ else if (strstr(line,"dihedrals")) sscanf(line,"%d",&ndihedrals);
+ else if (strstr(line,"impropers")) sscanf(line,"%d",&nimpropers);
+ else if (strstr(line,"atom types")) sscanf(line,"%d",&ntypes);
+ else if (strstr(line,"bond types")) sscanf(line,"%d",&nbondtypes);
+ else if (strstr(line,"angle types")) sscanf(line,"%d",&nangletypes);
+ else if (strstr(line,"dihedral types")) sscanf(line,"%d",&ndihedtypes);
+ else if (strstr(line,"improper types")) sscanf(line,"%d",&nimprotypes);
+ else if (strstr(line,"xlo xhi")) sscanf(line,"%lg %lg",&in.xlo,&in.xhi);
+ else if (strstr(line,"ylo yhi")) sscanf(line,"%lg %lg",&in.ylo,&in.yhi);
+ else if (strstr(line,"zlo zhi")) sscanf(line,"%lg %lg",&in.zlo,&in.zhi);
+ else break;
+ }
+
+ /* compute input box size */
+
+ in.xsize = in.xhi - in.xlo;
+ in.ysize = in.yhi - in.ylo;
+ in.zsize = in.zhi - in.zlo;
+
+ /* write XMOVIE header */
+
+ printf("ITEM: TIMESTEP\n");
+ printf("%d\n",0);
+ printf("ITEM: NUMBER OF ATOMS\n");
+ printf("%d\n",natoms);
+ printf("ITEM: BOX BOUNDS\n");
+ if (outbox) {
+ printf("%g %g\n",out.xlo,out.xhi);
+ printf("%g %g\n",out.ylo,out.yhi);
+ printf("%g %g\n",out.zlo,out.zhi);
+ } else {
+ printf("%g %g\n",in.xlo,in.xhi);
+ printf("%g %g\n",in.ylo,in.yhi);
+ printf("%g %g\n",in.zlo,in.zhi);
+ }
+
+ /* read identifier strings one by one in free-form part of data file */
+
+ token = gettoken(line,1);
+
+ while (token) {
+
+ /* read atoms */
+
+ if (!strcmp(token,"Atoms")) {
+
+ printf("ITEM: ATOMS\n");
+
+ int tag,type,molecule,imagex,imagey,imagez;
+ double x,y,z,radius,density,q;
+
+ for (i = 0; i < natoms; i++) {
+ fgets(line,MAXLINE,stdin);
+ if (unmap) {
+ if (atomstyle == ATOMIC)
+ sscanf(line,"%d %d %lg %lg %lg %d %d %d",
+ &tag,&type,&x,&y,&z,
+ &imagex,&imagey,&imagez);
+ else if (atomstyle == BOND)
+ sscanf(line,"%d %d %d %lg %lg %lg %d %d %d",
+ &tag,&molecule,&type,&x,&y,&z,
+ &imagex,&imagey,&imagez);
+ else if (atomstyle == ANGLE)
+ sscanf(line,"%d %d %d %lg %lg %lg %d %d %d",
+ &tag,&molecule,&type,&x,&y,&z,
+ &imagex,&imagey,&imagez);
+ else if (atomstyle == FULL)
+ sscanf(line,"%d %d %d %lg %lg %lg %lg %d %d %d",
+ &tag,&molecule,&type,&q,&x,&y,&z,
+ &imagex,&imagey,&imagez);
+ else if (atomstyle == EAM)
+ sscanf(line,"%d %d %lg %lg %lg %d %d %d",
+ &tag,&type,&x,&y,&z,
+ &imagex,&imagey,&imagez);
+ else if (atomstyle == GRANULAR)
+ sscanf(line,"%d %d %lg %lg %lg %lg %lg %d %d %d",
+ &tag,&type,&radius,&density,&x,&y,&z,
+ &imagex,&imagey,&imagez);
+ } else {
+ if (atomstyle == ATOMIC)
+ sscanf(line,"%d %d %d %lg %lg %lg",
+ &tag,&type,&x,&y,&z);
+ else if (atomstyle == BOND)
+ sscanf(line,"%d %d %d %lg %lg %lg",
+ &tag,&molecule,&type,&x,&y,&z);
+ else if (atomstyle == ANGLE)
+ sscanf(line,"%d %d %d %lg %lg %lg",
+ &tag,&molecule,&type,&x,&y,&z);
+ else if (atomstyle == FULL)
+ sscanf(line,"%d %d %d %lg %lg %lg %lg",
+ &tag,&molecule,&type,&q,&x,&y,&z);
+ else if (atomstyle == EAM)
+ sscanf(line,"%d %d %lg %lg %lg",
+ &tag,&type,&x,&y,&z);
+ else if (atomstyle == GRANULAR)
+ sscanf(line,"%d %d %lg %lg %lg %lg %lg",
+ &tag,&type,&radius,&density,&x,&y,&z);
+ imagez = imagey = imagex = 0;
+ }
+
+ /* unmap atom position if requested */
+
+ if (unmap) {
+ x = x + imagex*in.xsize;
+ y = y + imagey*in.ysize;
+ z = z + imagez*in.zsize;
+ }
+
+ printf("%d %d %g %g %g\n",tag,type,x,y,z);
+ }
+ }
+
+ /* read bonds and replicate */
+
+ else if (!strcmp(token,"Bonds")) {
+
+ printf("ITEM: BONDS\n");
+
+ int n,btype,bond1,bond2;
+
+ for (i = 0; i < nbonds; i++) {
+ fgets(line,MAXLINE,stdin);
+ sscanf(line,"%d %d %d %d",&n,&btype,&bond1,&bond2);
+ printf("%d %d %d\n",btype,bond1,bond2);
+ }
+ }
+
+ /* non-replicated sections - just skip lines */
+
+ else if (!strcmp(token,"Velocities"))
+ skipline(natoms);
+ else if (!strcmp(token,"Angles"))
+ skipline(nangles);
+ else if (!strcmp(token,"Dihedrals"))
+ skipline(ndihedrals);
+ else if (!strcmp(token,"Impropers"))
+ skipline(nimpropers);
+ else if (!strcmp(token,"Masses"))
+ skipline(ntypes);
+ else if (!strcmp(token,"Dipoles"))
+ skipline(ntypes);
+ else if (!strcmp(token,"Pair Coeffs"))
+ skipline(ntypes);
+ else if (!strcmp(token,"Bond Coeffs"))
+ skipline(nbondtypes);
+ else if (!strcmp(token,"Angle Coeffs"))
+ skipline(nangletypes);
+ else if (!strcmp(token,"Dihedral Coeffs"))
+ skipline(ndihedtypes);
+ else if (!strcmp(token,"Improper Coeffs"))
+ skipline(nimprotypes);
+ else if (!strcmp(token,"BondBond Coeffs"))
+ skipline(nangletypes);
+ else if (!strcmp(token,"BondAngle Coeffs"))
+ skipline(nangletypes);
+ else if (!strcmp(token,"MiddleBondTorsion Coeffs"))
+ skipline(ndihedtypes);
+ else if (!strcmp(token,"EndBondTorsion Coeffs"))
+ skipline(ndihedtypes);
+ else if (!strcmp(token,"AngleTorsion Coeffs"))
+ skipline(ndihedtypes);
+ else if (!strcmp(token,"AngleAngleTorsion Coeffs"))
+ skipline(ndihedtypes);
+ else if (!strcmp(token,"BondBond13 Coeffs"))
+ skipline(ndihedtypes);
+ else if (!strcmp(token,"AngleAngle Coeffs"))
+ skipline(nimprotypes);
+ else {
+ fprintf(stderr,
+ "Error in input data file - unknown identifier %s\n",token);
+ exit(1);
+ }
+
+ token = gettoken(line,0);
+ }
+
+}
+
+/* ------------------------------------------------------------------- */
+
+/* return a LAMMPS keyword from data file
+ if first is 1, non-blank line with token is in line
+ else read until find a non-blank line
+ keyword is all text on line w/out leading & trailing white space
+ read one additional line after non-blank line (assumed blank)
+ return ptr to keyword
+ return NULL if end of file */
+
+char *gettoken(char *line, int first)
+{
+ char buffer[MAXLINE];
+
+ /* read upto non-blank line plus 1 following line
+ eof is set to 1 if any read hits end-of-file */
+
+ int eof = 0;
+
+ if (!first) if (fgets(line,MAXLINE,stdin) == NULL) eof = 1;
+ while (eof == 0 && strspn(line," \t\n\r") == strlen(line))
+ if (fgets(line,MAXLINE,stdin) == NULL) eof = 1;
+ if (fgets(buffer,MAXLINE,stdin) == NULL) eof = 1;
+
+ /* if eof, return NULL */
+
+ if (eof) return NULL;
+
+ /* bracket non-whitespace portion of line */
+
+ int start = strspn(line," \t\n\r");
+ int stop = strlen(line) - 1;
+ while (line[stop] == ' ' || line[stop] == '\t'
+ || line[stop] == '\n' || line[stop] == '\r') stop--;
+ line[stop+1] = '\0';
+
+ /* return ptr to keyword */
+
+ return &line[start];
+}
+
+/* read n lines and ignore */
+
+void skipline(int n)
+{
+ char line[1000];
+
+ while (n) {
+ fgets(line,MAXLINE,stdin);
+ n--;
+ }
+}
diff --git a/tools/def.chain b/tools/def.chain
new file mode 100644
index 0000000000..c56fd57bde
--- /dev/null
+++ b/tools/def.chain
@@ -0,0 +1,13 @@
+Polymer chain definition
+
+0.8442 rhostar
+592984 random # seed (8 digits or less)
+1 # of sets of chains (blank line + 6 values for each set)
+0 molecule tag rule: 0 = by mol, 1 = from 1 end, 2 = from 2 ends
+
+320 number of chains
+100 monomers/chain
+1 type of monomers (for output into LAMMPS file)
+1 type of bonds (for output into LAMMPS file)
+0.97 distance between monomers (in reduced units)
+1.02 no distance less than this from site i-1 to i+1 (reduced unit)
diff --git a/tools/def.chain.ab b/tools/def.chain.ab
new file mode 100644
index 0000000000..495d6d680f
--- /dev/null
+++ b/tools/def.chain.ab
@@ -0,0 +1,20 @@
+Polymer chain definition
+
+0.6261144 rhostar
+48729 random # seed (8 digits or less)
+2 # of sets of chains (blank line + 6 values for each set)
+0 molecule tag rule: 0 = by mol, 1 = from 1 end, 2 = from 2 ends
+
+8 number of chains
+50 monomers/chain
+1 type of monomers (for output into LAMMPS file)
+1 type of bonds (for output into LAMMPS file)
+0.97 distance between monomers (in reduced units of sigma)
+1.02 no distance less than this from site i-1 to i+1 (reduced unit)
+
+8 number of chains
+50 monomers/chain
+2 type of monomers (for output into LAMMPS file)
+2 type of bonds (for output into LAMMPS file)
+1.17 distance between monomers (in reduced units of sigma)
+1.22 no distance less than this from site i-1 to i+1 (reduced unit)
diff --git a/tools/def.micelle2d b/tools/def.micelle2d
new file mode 100644
index 0000000000..f2c19a9585
--- /dev/null
+++ b/tools/def.micelle2d
@@ -0,0 +1,9 @@
+2-d micelle definition
+
+0.7 rhostar
+53616456 random # seed (8 digits or less)
+30 30 initial solvent square lattice (nx by ny)
+150 # of solvent to turn into surfactants
+0.75 bond-length of surfactants (units of sigma)
+2 # of tails to add to each head (length of surfactant - 1)
+0 flag for 2nd nearest neighbor bonds (0=no, 1=yes)
diff --git a/tools/lmp2arc/README b/tools/lmp2arc/README
new file mode 100644
index 0000000000..0a4a12fca5
--- /dev/null
+++ b/tools/lmp2arc/README
@@ -0,0 +1,136 @@
+
+ This program converts a contiguous set of LAMMPS dump (position) files
+ to a MSI .arc file using a .car file as the template. This enables one to
+ visualize a LAMMPS trajectory using Insight II.
+
+ by Michael Peachey & John Carpenter (SGI/Cray)
+ currently maintained by Kelly L. Anderson (AFRL/ML)
+
+ Version 0.1: 8/14/97 MJP
+ Version 1.0: 7/27/98 JEC
+ Version 1.1: 10/22/98 JEC
+ Version 1.2: 11/04/98 JEC
+ Version 1.3: 4/10/05 KLA
+
+
+ 1. To build the program
+
+ % cd src
+ % make
+ % cp lmp2arc.exe ../bin
+
+ The program is only a few files so should compile
+ quickly.
+
+ 2. Testing the program
+
+ There are three test jobs in the test directory
+ that one can run
+
+ % ../bin/lmp2arc.exe -car water8.car <<EOF > water8.arc
+ > water8.pos
+ > EOF
+ % diff water8.arc correct/water8.arc
+
+ % ../bin/lmp2arc.exe -move_mol -car water8.car <<EOF > water8.arc
+ > water8.pos
+ > EOF
+ % diff water8.arc correct/water8.arc.unwrap
+
+ % ../bin/lmp2arc.exe -trueflags -move_mol -car water8.car \
+ <<EOF > water8.arc
+ > water8.pos
+ > EOF
+ % diff water8.arc correct/water8.arc.trueflags
+
+ The only differences you should see are date differences.
+
+ 3. Usage
+
+ Usage: lmp2arc.exe [options] -car carfile < infile > outfile
+
+ options
+
+ -trueflags (optional)
+
+ trueflags are present in the LAMMPS position file.
+
+ -move_mol (optional)
+
+ Unwraps molecules. All atoms in the position file are in
+ the simulation cell. This means that molecules which
+ are sticking out of the cell will have some of its
+ atoms "wrapped" to the other side of the periodic cell.
+ This leads to very messy visualizations. Specification
+ of -move_mol will attempt to "unwrap" or straighten
+ molecules and yield a reasonable visualization. However,
+ molecules which oscillate around half in or out of the
+ box may appear to jump from one side of the box to
+ the other.
+
+ Two algorithms are used depending upon the presence of
+ trueflags. The algorithm that uses trueflags is the
+ most robust, but the other geometric based algorithm
+ should be adequate.
+
+ -car filename
+
+ the name of the .car file that corresponds to the
+ position information. This is required.
+
+ -skip n (default is 0)
+
+ Skip every n timesteps in the position file.
+
+ -npico n (default is 2000)
+
+ Number of timesteps in 1 picosecond of simulation.
+
+ -2001 (default is 2005)
+
+ Version of LAMMPS to convert from.
+
+
+ stdin
+
+ file containing one or more names of LAMMPS position files
+
+ stdout
+
+ the name of the new .arc file
+
+ Examples:
+
+ % lmp2arc.exe -2001 -trueflags -move_mol -skip 4 -car water.car <<EOF > water.arc
+ water1.pos
+ water2.pos
+ EOF
+
+>>>> Program output <<<<<
+
+ lmp2arc v1.2 - LAMMPS MD trajectory to MSI .arc file conversion
+
+
+ Car file name is water.car
+
+ Number of Atoms = 24
+ Number of Molecules = 8
+
+ Position file names:
+ water1.pos
+ water2.pos
+
+ Processing Timesteps
+
+ 20 40 60 80 100
+
+ 102 frames were written to the ArcFile
+
+
+ Program Exiting Normally
+
+
+ 4. Questions or comments?
+
+ Send them to Kelly L. Anderson (kelly.anderson@cantab.net)
+
diff --git a/tools/lmp2arc/src/Makefile b/tools/lmp2arc/src/Makefile
new file mode 100644
index 0000000000..a701e8f7a2
--- /dev/null
+++ b/tools/lmp2arc/src/Makefile
@@ -0,0 +1,18 @@
+
+OBJS = lmp2arc.o ReadCarFile.o ProcessPosFile01.o ProcessPosFile05.o unwrap_molecules.o WriteArcFrame.o
+
+lmp2arc.exe: $(OBJS)
+ gcc -o lmp2arc.exe $(OBJS)
+
+lmp2arc.o: lmp2arc.c lmp2.h
+ReadCarFile.o: ReadCarFile.c lmp2.h
+ProcessPosFile01.o: ProcessPosFile01.c lmp2.h
+ProcessPosFile05.o: ProcessPosFile05.c lmp2.h
+WriteArcFrame.o: WriteArcFrame.c lmp2.h
+unwrap_molecules.o: unwrap_molecules.c lmp2.h
+
+.c.o:
+ gcc -O2 -c $<
+
+clean:
+ rm lmp2arc.exe *.o
diff --git a/tools/lmp2arc/src/ProcessPosFile01.c b/tools/lmp2arc/src/ProcessPosFile01.c
new file mode 100644
index 0000000000..9926baf91e
--- /dev/null
+++ b/tools/lmp2arc/src/ProcessPosFile01.c
@@ -0,0 +1,159 @@
+/****************************** ProcessDumpFile.c ***************************
+*
+* Created 8/98 by John Carpenter
+* Based on routines ReadLMPDump and CreateArcFile written by
+* Mike Peachey during summer 1997
+*
+* This function reads the output from LAMMPS dumpfile
+* and then writes it back out to an ACCELRYS arcfile using
+* info from ReadCarfile.
+*
+*/
+
+#include "lmp2.h"
+
+void ProcessPosFile01(int num_posfiles,char *posnames[],struct Sys *sysinfo,FILE *ArcFile)
+{
+ struct Boundary cell;
+ struct NewAtomCoordinates *coord;
+
+ FILE *PosFile;
+
+ char line[MAX_LINE_LENGTH];
+
+ int i,iax,itag,itype;
+ int nxx,nyy,nzz,matoms;
+ int frame, mskip,timestep;
+ int ifile;
+
+ float xx,yy,zz;
+
+ /* Function prototype declarations */
+
+ extern void unwrap_molecules(struct NewAtomCoordinates *,struct Sys *);
+ extern void WriteArcFrame(FILE *,int,int,struct Sys *);
+
+ /* Begin execution */
+
+ coord = calloc(sysinfo->natoms, sizeof(struct NewAtomCoordinates));
+ if ( coord == NULL )
+ {
+ fprintf(stderr,"Memory Allocation Problem(coord), exiting program");
+ exit(3);
+ }
+
+ /* process data */
+
+ fprintf(stderr,"\n Processing Timesteps\n\n");
+
+ frame = 0;
+ mskip = 0;
+
+ for (ifile=0; ifile < num_posfiles; ifile++) {
+
+ fprintf(stderr,"\n Opening file \n");
+
+ if ( (PosFile = fopen(posnames[ifile],"r")) == NULL ) {
+ fprintf(stderr,"Cannot open %s\n",posnames[ifile]);
+ exit(2);
+ }
+
+
+ fprintf(stderr,"\n File open \n");
+
+ while (fgets(line,MAX_LINE_LENGTH, PosFile) != NULL) {
+ if (strstr(line,"NUMBER OF ATOMS")) {
+ fgets(line,MAX_LINE_LENGTH, PosFile);
+ matoms = atoi(line);
+ if (matoms != sysinfo->natoms) {
+ fprintf(stderr,"Number of atoms in car and dump files do not match/n");
+ exit(1);
+ }
+ }
+ else if (strstr(line,"BOX BOUNDS")) {
+
+ for (iax=0; iax < 3; iax++) {
+ fgets(line, MAX_LINE_LENGTH, PosFile);
+ cell.low[iax] = atof(strtok(line, " "));
+ cell.hi[iax] = atof(strtok(NULL, " \0\n"));
+ cell.size[iax] = cell.hi[iax] - cell.low[iax];
+ sysinfo->celldim[iax] = cell.size[iax];
+ }
+ }
+ else if (strstr(line,"TIMESTEP")) {
+
+ fscanf(PosFile,"%d",×tep);
+ }
+ else if (strstr(line,"ATOMS")) {
+
+ if (trueflag) {
+ for (i=0; i<matoms; i++) {
+ fgets(line, MAX_LINE_LENGTH, PosFile);
+ sscanf(line,"%d %d %f %f %f %d %d %d",&itag,&itype,
+ &xx,&yy,&zz,&nxx,&nyy,&nzz);
+
+ coord[itag-1].type = itype;
+ coord[itag-1].fract[0] = xx;
+ coord[itag-1].fract[1] = yy;
+ coord[itag-1].fract[2] = zz;
+ coord[itag-1].truef[0] = nxx;
+ coord[itag-1].truef[1] = nyy;
+ coord[itag-1].truef[2] = nzz;
+ }
+
+ if (move_molecules) unwrap_molecules(coord,sysinfo);
+
+ for (i=0; i<matoms; i++) {
+ for (iax=0; iax<3; iax++)
+ coord[i].fract[iax] += coord[i].truef[iax];
+ }
+ }
+ else {
+
+ for (i=0; i<matoms; i++) {
+ fgets(line, MAX_LINE_LENGTH, PosFile);
+ sscanf(line,"%d %d %f %f %f",&itag,&itype,&xx,&yy,&zz);
+
+ coord[itag-1].type = itype;
+ coord[itag-1].fract[0] = xx;
+ coord[itag-1].fract[1] = yy;
+ coord[itag-1].fract[2] = zz;
+ }
+
+ if (move_molecules) unwrap_molecules(coord,sysinfo);
+
+ } /* end if on trueflag */
+
+ for (i=0; i<matoms; i++) {
+ sysinfo->atoms[i].xyz[0] = cell.size[0]*coord[i].fract[0];
+ sysinfo->atoms[i].xyz[1] = cell.size[1]*coord[i].fract[1];
+ sysinfo->atoms[i].xyz[2] = cell.size[2]*coord[i].fract[2];
+ }
+
+ /* Ready to write arc file entry */
+
+ if ((mskip >= nskip) || (frame == 0)) {
+
+ WriteArcFrame(ArcFile,frame,timestep,sysinfo);
+ frame++;
+ mskip = 0;
+
+ if (frame%20 == 0) fprintf(stderr," %d",frame);
+ if (frame%400 == 0) fprintf(stderr,"\n");
+
+ }
+ else
+ mskip++;
+
+ } /* end if on ITEM */
+
+ } /* end while over LINES*/
+
+ close(PosFile);
+
+ } /* end for loop over POS FILES */
+
+ fprintf(stderr,"\n\n %d frames were written to the ArcFile\n",frame);
+}
+
+
diff --git a/tools/lmp2arc/src/ProcessPosFile05.c b/tools/lmp2arc/src/ProcessPosFile05.c
new file mode 100644
index 0000000000..4d8433bb3f
--- /dev/null
+++ b/tools/lmp2arc/src/ProcessPosFile05.c
@@ -0,0 +1,157 @@
+/****************************** ProcessDumpFile.c ***************************
+*
+* Created 8/98 by John Carpenter
+* Based on routines ReadLMPDump and CreateArcFile written by
+* Mike Peachey during summer 1997
+*
+* This function reads the output from LAMMPS dumpfile
+* and then writes it back out to an ACCELRYS arcfile using
+* info from ReadCarfile.
+*
+*/
+
+#include "lmp2.h"
+
+void ProcessPosFile05(int num_posfiles,char *posnames[],struct Sys *sysinfo,FILE *ArcFile)
+{
+ struct Boundary cell;
+ struct NewAtomCoordinates *coord;
+
+ FILE *PosFile;
+
+ char line[MAX_LINE_LENGTH];
+
+ int i,iax,itag,itype;
+ int nxx,nyy,nzz,matoms;
+ int frame, mskip,timestep;
+ int ifile;
+
+ float xx,yy,zz;
+
+ /* Function prototype declarations */
+
+ extern void unwrap_molecules(struct NewAtomCoordinates *,struct Sys *);
+ extern void WriteArcFrame(FILE *,int,int,struct Sys *);
+
+ /* Begin execution */
+
+ coord = calloc(sysinfo->natoms, sizeof(struct NewAtomCoordinates));
+ if ( coord == NULL )
+ {
+ fprintf(stderr,"Memory Allocation Problem(coord), exiting program");
+ exit(3);
+ }
+
+ /* process data */
+
+ fprintf(stderr,"\n Processing Timesteps for LAMMPS 2005 dump file\n\n");
+
+ frame = 0;
+ mskip = 0;
+
+ for (ifile=0; ifile < num_posfiles; ifile++) {
+
+ if ( (PosFile = fopen(posnames[ifile],"r")) == NULL ) {
+ fprintf(stderr,"Cannot open %s\n",posnames[ifile]);
+ exit(2);
+ }
+
+ while (fgets(line,MAX_LINE_LENGTH, PosFile) != NULL) {
+ if (strstr(line,"NUMBER OF ATOMS")) {
+ fgets(line,MAX_LINE_LENGTH, PosFile);
+ matoms = atoi(line);
+ if (matoms != sysinfo->natoms) {
+ fprintf(stderr,"Number of atoms in car and dump files do not match\n");
+ exit(1);
+ }
+ }
+ else if (strstr(line,"BOX BOUNDS")) {
+
+/*
+fprintf(stderr,"HERE 1\n");
+*/
+ for (iax=0; iax < 3; iax++) {
+ fgets(line, MAX_LINE_LENGTH, PosFile);
+ cell.low[iax] = atof(strtok(line, " "));
+ cell.hi[iax] = atof(strtok(NULL, " \0\n"));
+ cell.size[iax] = cell.hi[iax] - cell.low[iax];
+ sysinfo->celldim[iax] = cell.size[iax];
+ }
+ }
+ else if (strstr(line,"TIMESTEP")) {
+
+ fscanf(PosFile,"%d",×tep);
+ }
+ else if (strstr(line,"ATOMS")) {
+
+ if (trueflag) {
+ for (i=0; i<matoms; i++) {
+ fgets(line, MAX_LINE_LENGTH, PosFile);
+ sscanf(line,"%d %d %f %f %f %d %d %d",&itag,&itype,
+ &xx,&yy,&zz,&nxx,&nyy,&nzz);
+
+ coord[itag-1].type = itype;
+ coord[itag-1].fract[0] = xx;
+ coord[itag-1].fract[1] = yy;
+ coord[itag-1].fract[2] = zz;
+ coord[itag-1].truef[0] = nxx;
+ coord[itag-1].truef[1] = nyy;
+ coord[itag-1].truef[2] = nzz;
+ }
+
+ if (move_molecules) unwrap_molecules(coord,sysinfo);
+
+ for (i=0; i<matoms; i++) {
+ for (iax=0; iax<3; iax++)
+ coord[i].fract[iax] += coord[i].truef[iax];
+ }
+ }
+ else {
+
+ for (i=0; i<matoms; i++) {
+ fgets(line, MAX_LINE_LENGTH, PosFile);
+ sscanf(line,"%d %d %f %f %f",&itag,&itype,&xx,&yy,&zz);
+
+ coord[itag-1].type = itype;
+ coord[itag-1].fract[0] = xx;
+ coord[itag-1].fract[1] = yy;
+ coord[itag-1].fract[2] = zz;
+ }
+
+ if (move_molecules) unwrap_molecules(coord,sysinfo);
+
+ } /* end if on trueflag */
+
+ for (i=0; i<matoms; i++) {
+ sysinfo->atoms[i].xyz[0] = cell.size[0]*coord[i].fract[0];
+ sysinfo->atoms[i].xyz[1] = cell.size[1]*coord[i].fract[1];
+ sysinfo->atoms[i].xyz[2] = cell.size[2]*coord[i].fract[2];
+ }
+
+ /* Ready to write arc file entry */
+
+ if ((mskip >= nskip) || (frame == 0)) {
+
+ WriteArcFrame(ArcFile,frame,timestep,sysinfo);
+ frame++;
+ mskip = 0;
+
+ if (frame%20 == 0) fprintf(stderr," %d",frame);
+ if (frame%400 == 0) fprintf(stderr,"\n");
+
+ }
+ else
+ mskip++;
+
+ } /* end if on ITEM */
+
+ } /* end while over LINES*/
+
+ close(PosFile);
+
+ } /* end for loop over POS FILES */
+
+ fprintf(stderr,"\n\n %d frames were written to the ArcFile\n",frame);
+}
+
+
diff --git a/tools/lmp2arc/src/ReadCarFile.c b/tools/lmp2arc/src/ReadCarFile.c
new file mode 100644
index 0000000000..09cb100dd5
--- /dev/null
+++ b/tools/lmp2arc/src/ReadCarFile.c
@@ -0,0 +1,119 @@
+/****************************** ReadCarFile.c ******************************
+*
+* This function opens the .car file and extracts coordinate information
+* into the atoms Atom structure
+*
+* THIS FUNCTION HAS BEEN MODIFIED FROM Msi2LMP2 AND USES THE ATOM
+* STRUCTURE MEMBERS DIFFERENTLY
+*/
+
+#include "lmp2.h"
+
+void ReadCarFile(FILE *CarF,struct Sys *sysinfo)
+{
+ char line[MAX_LINE_LENGTH]; /* Stores lines as they are read in */
+ int k,m,n; /* counters */
+ int skip; /* lines to skip at beginning of file */
+
+
+/* Determine Number of molecules & atoms */
+
+ rewind(CarF);
+ sysinfo->no_molecules = -1; /* Set to -1 because counter will be
+ incremented an extra time at the end of the file */
+
+ fgets(line,MAX_LINE_LENGTH,CarF); /* Read header line */
+
+/* Check for periodicity, set periodic and skip */
+
+ if( strncmp(fgets(line,MAX_LINE_LENGTH,CarF),"PBC=ON",6) == 0)
+ {
+ sysinfo->periodic = 1;
+ skip = 5; /* Data starts 5 lines from beginning of file */
+ }
+ else
+ {
+ sysinfo->periodic = 0;
+ skip = 4;
+ }
+
+/* First pass through file -- Count molecules */
+
+ while( fgets(line,MAX_LINE_LENGTH,CarF) != NULL )
+ if( strncmp(line,"end",3) == 0 )
+ sysinfo->no_molecules++;
+
+/* Allocate space to keep track of the number of atoms within a molecule */
+
+ sysinfo->molinfo =
+ (struct Mol *) calloc(sysinfo->no_molecules,sizeof(struct Mol));
+
+ if ( sysinfo->molinfo == NULL )
+ {
+ puts("Could not allocate memory for molinfo");
+ exit(2);
+ }
+
+/* Second pass through file -- Count atoms */
+
+ rewind(CarF);
+ for(n=0; n < skip; n++) /* Skip beginning lines */
+ fgets(line,MAX_LINE_LENGTH,CarF);
+
+ sysinfo->molinfo[0].start = 0;
+ sysinfo->molinfo[0].end = 0;
+ for(n=0; n < sysinfo->no_molecules; n++)
+ {
+ if (n != 0) {
+ sysinfo->molinfo[n].start = sysinfo->molinfo[n-1].end;
+ sysinfo->molinfo[n].end = sysinfo->molinfo[n-1].end;
+ }
+ while( strncmp(fgets(line,MAX_LINE_LENGTH,CarF),"end",3) )
+ sysinfo->molinfo[n].end++;
+ }
+ n = sysinfo->no_molecules-1;
+ sysinfo->natoms = sysinfo->molinfo[n].end;
+
+/* Allocate space for atoms Atom structures */
+
+ sysinfo->atoms = (struct Atom *) calloc(sysinfo->natoms,
+ sizeof(struct Atom));
+ if( sysinfo->atoms == NULL )
+ {
+ puts("Could not allocate memory for AtomList");
+ exit(2);
+ }
+
+/* Third pass through file -- Read+Parse Car File */
+
+ rewind(CarF);
+
+ for(n=0; n < skip; n++)
+ fgets(line,MAX_LINE_LENGTH,CarF);
+
+ for(m=0; m < sysinfo->no_molecules; m++)
+ { /* m loops through molecules */
+ for(n=sysinfo->molinfo[m].start; n < sysinfo->molinfo[m].end; n++)
+ { /* n loops through atoms within a molecule */
+
+ sysinfo->atoms[n].molecule = m;
+
+ fscanf(CarF,"%s %lf %lf %lf %s %s %s %s %f",
+ sysinfo->atoms[n].name,
+ &(sysinfo->atoms[n].xyz[0]),
+ &(sysinfo->atoms[n].xyz[1]),
+ &(sysinfo->atoms[n].xyz[2]),
+ sysinfo->atoms[n].res_name,
+ sysinfo->atoms[n].res_num,
+ sysinfo->atoms[n].potential,
+ sysinfo->atoms[n].element,
+ &(sysinfo->atoms[n].q));
+ } /* End n (atoms) loop */
+
+ fgets(line,MAX_LINE_LENGTH,CarF);
+ fgets(line,MAX_LINE_LENGTH,CarF);
+
+ } /* End m (molecule) loop */
+
+} /* End ReadCarFile() */
+
diff --git a/tools/lmp2arc/src/WriteArcFrame.c b/tools/lmp2arc/src/WriteArcFrame.c
new file mode 100644
index 0000000000..973337c360
--- /dev/null
+++ b/tools/lmp2arc/src/WriteArcFrame.c
@@ -0,0 +1,63 @@
+#include <time.h>
+#include "lmp2.h"
+
+void WriteArcFrame(FILE *ArcFile,int frame,int timestep,
+ struct Sys *sysinfo)
+{
+ time_t tim;
+ char *datestr;
+ const char MSIformat[] = "!BIOSYM archive 3";
+ const char PBC_ON[] = "PBC=ON";
+ const char PBC_OFF[] = "PBC=OFF";
+
+ const float perp = 90.0;
+ register int i,m;
+ float number_of_psecs;
+
+ /* Function prototypes */
+
+ void dot(int);
+
+ /* Begin execution */
+
+ number_of_psecs = (float) timestep/(float) npico;
+
+ tim = time(NULL);
+ datestr = asctime(localtime(&tim));
+
+ if (frame == 0)
+ {
+ fprintf(ArcFile,"%s\n",MSIformat);
+ if (sysinfo->periodic)
+ fprintf(ArcFile,"%s\n",PBC_ON);
+ else
+ fprintf(ArcFile,"%s\n",PBC_OFF);
+ }
+
+ fprintf(ArcFile,"Frame %d Number of Picoseconds = %10.4f\n",frame,
+ number_of_psecs);
+
+ fprintf(ArcFile,"!DATE %s",datestr);
+
+ if (sysinfo->periodic)
+ fprintf(ArcFile,"PBC%10.4f%10.4f%10.4f%10.4f%10.4f%10.4f (P1)\n",
+ sysinfo->celldim[0],sysinfo->celldim[1],
+ sysinfo->celldim[2],perp,perp,perp);
+
+ for (m=0; m<sysinfo->no_molecules; m++)
+ {
+ for (i=sysinfo->molinfo[m].start; i<sysinfo->molinfo[m].end; i++)
+ {
+ fprintf(ArcFile,"%-5s %14.9f %14.9f %14.9f %-4s %-7s%-7s %-2s% 6.4f\n",
+ sysinfo->atoms[i].name,
+ sysinfo->atoms[i].xyz[0],sysinfo->atoms[i].xyz[1],
+ sysinfo->atoms[i].xyz[2],sysinfo->atoms[i].res_name,
+ sysinfo->atoms[i].res_num,sysinfo->atoms[i].potential,
+ sysinfo->atoms[i].element,sysinfo->atoms[i].q);
+ }
+ fprintf(ArcFile, "end\n");
+ }
+ fprintf( ArcFile, "end\n");
+
+ fflush(ArcFile);
+}
diff --git a/tools/lmp2arc/src/lmp2.h b/tools/lmp2arc/src/lmp2.h
new file mode 100644
index 0000000000..9ef132b356
--- /dev/null
+++ b/tools/lmp2arc/src/lmp2.h
@@ -0,0 +1,72 @@
+# include <stdio.h>
+# include <stdlib.h>
+# include <string.h>
+# include <stddef.h>
+# include <math.h>
+
+#define MAX_LINE_LENGTH 200
+#define MAX_POS_FILES 50
+
+#ifdef MAIN
+#define _EX
+#else
+#define _EX extern
+#endif
+
+struct Sys {
+ int periodic;
+ int ntypes;
+ int natoms;
+ int no_molecules;
+ int nbonds;
+ float celldim[3];
+ float *masses;
+ struct Mol *molinfo;
+ struct Atom *atoms;
+ int *bondindex;
+};
+
+struct Mol
+{
+ int start;
+ int end;
+};
+
+struct Atom /* atom information in .car file */
+{
+ int molecule; /* molecule id */
+ float q; /* charge */
+ double xyz[3]; /* position vector */
+ char potential[5]; /* atom potential type */
+ char element[2]; /* atom element */
+ char res_name[8]; /* residue name */
+ char res_num[8]; /* residue numer */
+ char name[10]; /* atom name */
+};
+
+
+struct Boundary
+{
+ double low[3];
+ double hi[3];
+ double size[3];
+};
+
+struct NewAtomCoordinates
+{
+ int type;
+ double fract[3];
+ int truef[3];
+};
+
+struct Colors
+{
+ float rgb[3];
+};
+
+_EX int trueflag; /* 0=no_true_flags; 1=true_flags */
+_EX int move_molecules; /* 0=don't move; 1=move */
+_EX int nskip; /* number of steps to skip in pos file */
+_EX int npico; /* number of steps per picosecond */
+
+
diff --git a/tools/lmp2arc/src/lmp2arc.c b/tools/lmp2arc/src/lmp2arc.c
new file mode 100644
index 0000000000..a8f31ef6b5
--- /dev/null
+++ b/tools/lmp2arc/src/lmp2arc.c
@@ -0,0 +1,265 @@
+/****************************** Lmp2arc.c ******************************
+
+ This program converts a contiguous set of LAMMPS dump (position) files
+ to a MSI .arc file using a .car file as the template. This enables one to
+ visualize a LAMMPS trajectory using Insight II.
+
+ by Michael Peachey & John Carpenter (SGI/Cray)
+ currently maintained by Kelly L. Anderson (AFRL/ML)
+
+ Version 0.1: 8/14/97 MJP
+ Version 1.0: 7/27/98 JEC
+ Version 1.1: 10/22/98 JEC
+ Version 1.2: 11/04/98 JEC
+ Version 1.3: 4/10/05 KLA
+
+
+ 1. To build the program
+
+ % cd src
+ % make
+ % cp lmp2arc.exe ../bin
+
+ The program is only a few files so should compile
+ quickly.
+
+ 2. Testing the program
+
+ There are three test jobs in the test directory
+ that one can run
+
+ % ../bin/lmp2arc.exe -car water8.car <<EOF > water8.arc
+ > water8.pos
+ > EOF
+ % diff water8.arc correct/water8.arc
+
+ % ../bin/lmp2arc.exe -move_mol -car water8.car <<EOF > water8.arc
+ > water8.pos
+ > EOF
+ % diff water8.arc correct/water8.arc.unwrap
+
+ % ../bin/lmp2arc.exe -trueflags -move_mol -car water8.car \
+ <<EOF > water8.arc
+ > water8.pos
+ > EOF
+ % diff water8.arc correct/water8.arc.trueflags
+
+ The only differences you should see are date differences.
+
+ 3. Usage
+
+ Usage: lmp2arc.exe [options] -car carfile < infile > outfile
+
+ options
+
+ -trueflags (optional)
+
+ trueflags are present in the LAMMPS position file.
+
+ -move_mol (optional)
+
+ Unwraps molecules. All atoms in the position file are in
+ the simulation cell. This means that molecules which
+ are sticking out of the cell will have some of its
+ atoms "wrapped" to the other side of the periodic cell.
+ This leads to very messy visualizations. Specification
+ of -move_mol will attempt to "unwrap" or straighten
+ molecules and yield a reasonable visualization. However,
+ molecules which oscillate around half in or out of the
+ box may appear to jump from one side of the box to
+ the other.
+
+ Two algorithms are used depending upon the presence of
+ trueflags. The algorithm that uses trueflags is the
+ most robust, but the other geometric based algorithm
+ should be adequate.
+
+ -car filename
+
+ the name of the .car file that corresponds to the
+ position information. This is required.
+
+ -skip n (default is 0)
+
+ Skip every n timesteps in the position file.
+
+ -npico n (default is 2000)
+
+ Number of timesteps in 1 picosecond of simulation.
+
+ -2001 (default is 2005)
+
+ Version of LAMMPS to convert from.
+
+
+ stdin
+
+ file containing one or more names of LAMMPS position files
+
+ stdout
+
+ the name of the new .arc file
+
+ Examples:
+
+ % lmp2arc.exe -2001 -trueflags -move_mol -skip 4 -car water.car <<EOF > water.arc
+ water1.pos
+ water2.pos
+ EOF
+
+>>>> Program output <<<<<
+
+ lmp2arc v1.2 - LAMMPS MD trajectory to MSI .arc file conversion
+
+
+ Car file name is water.car
+
+ Number of Atoms = 24
+ Number of Molecules = 8
+
+ Position file names:
+ water1.pos
+ water2.pos
+
+ Processing Timesteps
+
+ 20 40 60 80 100
+
+ 102 frames were written to the ArcFile
+
+
+ Program Exiting Normally
+
+
+ 4. Questions or comments?
+
+ Send them to Kelly L. Anderson (kelly.anderson@cantab.net)
+
+
+*/
+#define MAIN
+#include "lmp2.h"
+
+ /* External function prototypes */
+
+ extern void ReadCarFile(FILE *,struct Sys *);
+ extern void ProcessPosFile01(int,char **,struct Sys *,FILE *);
+ extern void ProcessPosFile05(int,char **,struct Sys *,FILE *);
+
+int main(int argc, char *argv[])
+{
+ int got_car,ierr,i;
+ char *carfilename;
+ struct Sys *sysinfo;
+ int num_posfiles;
+ int outv;
+ char *posnames[MAX_POS_FILES];
+ char line[MAX_LINE_LENGTH];
+
+ FILE *CarFile,*ArcFile;
+
+/* default input values */
+
+ trueflag = 0;
+ move_molecules = 0;
+ nskip = 0;
+ got_car = 0;
+ npico = 2000;
+ outv = 2005;
+
+/* read input options from command line
+ should do more error checking for missing args */
+
+ for (i = 1; i < argc; i++) {
+
+ if (!strcmp(argv[i],"-car")) {
+ carfilename = (char *) malloc(strlen(argv[i+1]));
+ strcpy(carfilename,argv[i+1]);
+ i++;
+ got_car = 1;
+ }
+ else if (!strcmp(argv[i],"-trueflags"))
+ trueflag = 1;
+ else if (!strcmp(argv[i],"-move_mol"))
+ move_molecules = 1;
+ else if (!strcmp(argv[i],"-2001")) {
+ outv = 2001;
+ fprintf(stderr,"\n LAMMPS 2001 file used.\n");
+ }
+ else if (!strcmp(argv[i],"-skip")) {
+ sscanf(argv[i+1],"%d",&nskip);
+ i++;
+ }
+ else if (!strcmp(argv[i],"-npico")) {
+ sscanf(argv[i+1],"%d",&npico);
+ i++;
+ }
+ else {
+ fprintf(stderr,"\nSyntax error: lmp2arc.exe [-2001] [-trueflags] [-move_mol] [-skip n]\n");
+ fprintf(stderr," [-npico m] -car carfile\n");
+ fprintf(stderr," < posfile_list > ArcFile\n");
+ exit(1);
+ }
+ }
+
+/* Check for option inconsistancies */
+
+ if (!got_car) {
+ fprintf(stderr,"Must specify car file\n");
+ exit(1);
+ }
+
+ fprintf(stderr,"\n lmp2arc v1.3 - LAMMPS MD trajectory to ACCELRYS .arc file conversion\n\n");
+
+ sysinfo = (struct Sys *) calloc(1,sizeof(struct Sys));
+
+ /* Open CarFile */
+
+ fprintf(stderr,"\n Car file name is %s\n",carfilename);
+ if( (CarFile = fopen(carfilename,"r")) == NULL )
+ {
+ fprintf(stderr,"Cannot open %s\n",carfilename);
+ exit(2);
+ }
+
+ ReadCarFile(CarFile, sysinfo);
+
+ fclose(CarFile);
+ free(carfilename);
+
+ fprintf(stderr,"\n Number of Atoms = %d\n",sysinfo->natoms);
+ fprintf(stderr," Number of Molecules = %d\n",sysinfo->no_molecules);
+
+ /* Get position file names */
+
+ num_posfiles = 0;
+ while (gets(line) != NULL) {
+ if (ferror(stdin) == 0) {
+ posnames[num_posfiles] = (char *)calloc(strlen(line),sizeof(char));
+ posnames[num_posfiles] = strcpy(posnames[num_posfiles],line);
+ num_posfiles++;
+ }
+ else
+ perror(strerror(ferror(stdin)));
+ }
+
+ fprintf(stderr,"\n Position file names:\n");
+ for (i=0;i < num_posfiles; i++) fprintf(stderr," %s\n",posnames[i]);
+
+ /* Assign ArcFile to stdout */
+
+ ArcFile = stdout;
+
+ if (outv == 2001) {
+ ProcessPosFile01(num_posfiles,posnames,sysinfo,ArcFile);
+ }
+ else if (outv == 2005) {
+ ProcessPosFile05(num_posfiles,posnames,sysinfo,ArcFile);
+ }
+
+ fclose(ArcFile);
+
+ free(sysinfo);
+
+ fprintf(stderr,"\n\n Program Exiting Normally\n\n");
+}
diff --git a/tools/lmp2arc/src/lmp2arc.doc b/tools/lmp2arc/src/lmp2arc.doc
new file mode 100644
index 0000000000..f7ba78f505
--- /dev/null
+++ b/tools/lmp2arc/src/lmp2arc.doc
@@ -0,0 +1,94 @@
+
+ lmp2arc.exe
+
+ by Michael Peachey & John Carpenter (SGI/Cray)
+
+ Version 0.1: 8/14/97 MJP initial version NVT only
+ Version 1.0: 7/27/98 JEC rewrote to reduce storage and generalize programs
+ Version 1.1: 10/22/98 JEC geometric molecule "unwrapping" algorithm included
+ Version 1.2: 11/04/98 JEC multiple position files in input; data structures
+ standardized with lmp2gxf
+
+ This program converts a LAMMPS dump (position) file to a MSI
+ .arc file using a .car file as the template. This enables one to
+ visualize a LAMMPS trajectory using Insight II.
+
+ Usage: lmp2arc.exe [options] -car carfile < infile > outfile
+
+ options
+
+ -trueflags (default is not present)
+
+ trueflags are present in the LAMMPS position file.
+
+ -move_mol (default is not present)
+
+ Unwraps molecules. All atoms in the position file are in
+ simulation cell. This means that molecules which
+ are sticking out of the cell will have some of its
+ atoms "wrapped" to the other side of the periodic cell.
+ This leads to very messy visualizations. Specification
+ of -move_mol will attempt to "unwrap" or straighten
+ molecules and yield a reasonable visualization. However,
+ molecules which oscillate around half in or out of the
+ box may appear to jump from one side of the box to
+ the other.
+
+ Two algorithms are used depending upon the presence of
+ trueflags. The algorithm that uses trueflags is the
+ most robust, but the other geometric based algorithm
+ should be adequate.
+
+ -car filename
+
+ the name of the .car file that corresponds to the
+ position information. This is required.
+
+ -skip n (default is 0)
+
+ Skip every n timesteps in the position file.
+
+ -npico n (default is 2000)
+
+ Number of timesteps in 1 picosecond of simulation
+
+
+ stdin
+
+ file containing one or more names of LAMMPS position files
+
+ stdout
+
+ the name of the new .arc file
+
+ Examples:
+
+ % lmp2arc.exe -trueflags -move_mol -skip 4 -car water.car <<EOF > water.arc
+ water1.pos
+ water2.pos
+ EOF
+
+>>>> Program output <<<<<
+
+ lmp2arc v1.2 - LAMMPS MD trajectory to MSI .arc file conversion
+
+
+ Car file name is water.car
+
+ Number of Atoms = 24
+ Number of Molecules = 8
+
+ Position file names:
+ water1.pos
+ water2.pos
+
+ Processing Timesteps
+
+ 20 40 60 80 100
+
+ 102 frames were written to the ArcFile
+
+
+ Program Exiting Normally
+
+
diff --git a/tools/lmp2arc/src/unwrap_molecules.c b/tools/lmp2arc/src/unwrap_molecules.c
new file mode 100644
index 0000000000..91defbd752
--- /dev/null
+++ b/tools/lmp2arc/src/unwrap_molecules.c
@@ -0,0 +1,105 @@
+#include "lmp2.h"
+
+void unwrap_molecules(struct NewAtomCoordinates *coord,struct Sys *sysinfo)
+{
+ int iflag[5],nflag[5],icase;
+ register int i,iax,imol;
+ int min_true,max_true;
+
+ if (trueflag) {
+
+ /* Use trueflags to "unwrap" molecules */
+
+ for (imol=0; imol < sysinfo->no_molecules; imol++) {
+ for (iax=0; iax < 3; iax++) {
+
+ min_true = 1000;
+ max_true = -1000;
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) {
+ if (coord[i].truef[iax] < min_true) min_true = coord[i].truef[iax];
+ if (coord[i].truef[iax] > max_true) max_true = coord[i].truef[iax];
+ }
+
+ if ((min_true > 0) || (max_true < 0)) {
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) coord[i].truef[iax] -= min_true;
+ }
+
+ } /* end loop over iax */
+ } /* end loop over imol */
+ }
+ else {
+
+ /* Use coordinates to "unwrap" molecules */
+
+ for (imol=0; imol < sysinfo->no_molecules; imol++) {
+
+ for (iax=0; iax < 3; iax++) {
+
+ for (i=0; i<5; i++) { iflag[i] = 0; nflag[i] = 0;}
+
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) {
+ if (coord[i].fract[iax] <= 0.20)
+ nflag[0]++;
+ else if ((coord[i].fract[iax] > 0.20) && (coord[i].fract[iax] <= 0.40))
+ nflag[1]++;
+ else if ((coord[i].fract[iax] > 0.40) && (coord[i].fract[iax] <= 0.60))
+ nflag[2]++;
+ else if ((coord[i].fract[iax] > 0.60) && (coord[i].fract[iax] <= 0.80))
+ nflag[3]++;
+ else if ((coord[i].fract[iax] > 0.80) && (coord[i].fract[iax] <= 1.00))
+ nflag[4]++;
+ }
+
+ for (i=0; i<5; i++) { if (nflag[i] > 0) iflag[i] = 1; }
+
+ icase = 10000*iflag[0] + 1000*iflag[1] + 100*iflag[2] + 10*iflag[3] + iflag[4];
+
+ switch (icase) {
+ case 10001:
+ if (nflag[0] > nflag[4]) {
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) if (coord[i].fract[iax] > 0.80) coord[i].fract[iax] -= 1.0;
+ }
+ else {
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) if (coord[i].fract[iax] <= 0.20) coord[i].fract[iax] += 1.0;
+ }
+ break;
+ case 11001:
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) if (coord[i].fract[iax] > 0.80) coord[i].fract[iax] -= 1.0;
+ break;
+ case 10011:
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) if (coord[i].fract[iax] < 0.20) coord[i].fract[iax] += 1.0;
+ break;
+ case 11101:
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) if (coord[i].fract[iax] > 0.80) coord[i].fract[iax] -= 1.0;
+ break;
+ case 10111:
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) if (coord[i].fract[iax] < 0.20) coord[i].fract[iax] += 1.0;
+ break;
+ case 11011:
+ if ((nflag[0]+nflag[1]) > (nflag[3]+nflag[4])) {
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) if (coord[i].fract[iax] > 0.60) coord[i].fract[iax] -= 1.0;
+ }
+ else {
+ for (i=sysinfo->molinfo[imol].start; i < sysinfo->molinfo[imol].end;
+ i++) if (coord[i].fract[iax] <= 0.40) coord[i].fract[iax] += 1.0;
+ }
+ break;
+ default:
+ break;
+ } /* end switch */
+
+ } /* end loop over imol*/
+ } /* end loop over iax */
+
+ } /* end if on trueflag */
+}
diff --git a/tools/lmp2arc/test/correct/water8.arc b/tools/lmp2arc/test/correct/water8.arc
new file mode 100644
index 0000000000..9cc8813306
--- /dev/null
+++ b/tools/lmp2arc/test/correct/water8.arc
@@ -0,0 +1,398 @@
+!BIOSYM archive 3
+PBC=ON
+Frame 0 Number of Picoseconds = 5.0000
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.643248010 0.777744001 0.939744008 WTR 1 o* O -0.8200
+H11 1.121400046 0.905544019 1.801944065 WTR 1 h* H 0.4100
+H12 1.495439994 0.381167999 0.460295981 WTR 1 h* H 0.4100
+end
+O1 6.377903795 6.354432106 2.353248096 WTR 2 o* O -0.8200
+H11 6.969096136 6.404400158 3.197592044 WTR 2 h* H 0.4100
+H12 6.860231924 7.085376120 1.893959928 WTR 2 h* H 0.4100
+end
+O1 2.777328086 0.543599975 2.234376025 WTR 3 o* O -0.8200
+H11 2.326680064 0.960479951 3.006935906 WTR 3 h* H 0.4100
+H12 3.093768024 6.987024021 2.808791900 WTR 3 h* H 0.4100
+end
+O1 4.044887924 5.510304022 1.766304052 WTR 4 o* O -0.8200
+H11 5.041511822 5.491583920 1.714175963 WTR 4 h* H 0.4100
+H12 3.839111853 4.667327785 2.287439990 WTR 4 h* H 0.4100
+end
+O1 1.456920040 1.436471951 5.896152020 WTR 5 o* O -0.8200
+H11 1.795608044 2.354399943 5.825591898 WTR 5 h* H 0.4100
+H12 0.776808017 1.533671987 6.644735956 WTR 5 h* H 0.4100
+end
+O1 0.645119977 0.804960001 3.574799895 WTR 6 o* O -0.8200
+H11 1.211760020 0.483047980 4.318775797 WTR 6 h* H 0.4100
+H12 0.191952007 1.505303979 4.087368107 WTR 6 h* H 0.4100
+end
+O1 2.751119900 6.932088089 4.621895885 WTR 7 o* O -0.8200
+H11 2.843711901 6.166800213 5.214600134 WTR 7 h* H 0.4100
+H12 2.705256057 0.282672000 5.459184122 WTR 7 h* H 0.4100
+end
+O1 2.847239971 6.672167873 7.105968189 WTR 8 o* O -0.8200
+H11 3.199895954 7.019280052 0.762192017 WTR 8 h* H 0.4100
+H12 2.801664090 5.774687862 0.297000012 WTR 8 h* H 0.4100
+end
+end
+Frame 1 Number of Picoseconds = 5.0500
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.787464005 0.702144009 1.022687995 WTR 1 o* O -0.8200
+H11 1.261224031 0.940608001 1.842984009 WTR 1 h* H 0.4100
+H12 1.495152032 0.496656007 0.457487977 WTR 1 h* H 0.4100
+end
+O1 6.228648090 6.606071806 2.280311966 WTR 2 o* O -0.8200
+H11 6.579287910 6.505488110 3.152663970 WTR 2 h* H 0.4100
+H12 6.906744003 0.095184001 2.001383901 WTR 2 h* H 0.4100
+end
+O1 2.961720085 0.432575995 2.279663944 WTR 3 o* O -0.8200
+H11 2.808215976 0.834192002 3.171672034 WTR 3 h* H 0.4100
+H12 3.319776106 6.820991850 2.693519998 WTR 3 h* H 0.4100
+end
+O1 4.020191860 5.430168200 1.728504002 WTR 4 o* O -0.8200
+H11 4.941431952 5.639471912 1.764144015 WTR 4 h* H 0.4100
+H12 4.014575958 4.480128050 1.745208049 WTR 4 h* H 0.4100
+end
+O1 1.246895993 1.396152020 5.866631842 WTR 5 o* O -0.8200
+H11 1.592640030 2.332368064 5.899392128 WTR 5 h* H 0.4100
+H12 0.572184008 1.531511950 6.572448063 WTR 5 h* H 0.4100
+end
+O1 0.712511981 0.765359974 3.554783964 WTR 6 o* O -0.8200
+H11 1.439495981 0.479375982 4.145327854 WTR 6 h* H 0.4100
+H12 0.433296007 1.464119947 4.176144075 WTR 6 h* H 0.4100
+end
+O1 2.728656077 6.963191843 4.645943928 WTR 7 o* O -0.8200
+H11 3.408552074 6.317351961 5.011056089 WTR 7 h* H 0.4100
+H12 2.620007944 0.205056006 5.514840174 WTR 7 h* H 0.4100
+end
+O1 2.781791925 6.725951958 7.154640198 WTR 8 o* O -0.8200
+H11 3.255047965 7.079759789 0.762192017 WTR 8 h* H 0.4100
+H12 2.831255937 5.743151951 0.226511988 WTR 8 h* H 0.4100
+end
+end
+Frame 2 Number of Picoseconds = 5.1000
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.748728025 0.588095999 0.996191955 WTR 1 o* O -0.8200
+H11 1.335527980 0.838799983 1.774151981 WTR 1 h* H 0.4100
+H12 1.458215976 0.362951991 0.341352001 WTR 1 h* H 0.4100
+end
+O1 6.050879860 6.760512114 2.297663927 WTR 2 o* O -0.8200
+H11 6.377544165 6.874415874 3.235032034 WTR 2 h* H 0.4100
+H12 6.719327974 0.183599997 1.901664090 WTR 2 h* H 0.4100
+end
+O1 2.932199907 0.512136000 2.235168028 WTR 3 o* O -0.8200
+H11 2.719512105 0.869832015 3.124511933 WTR 3 h* H 0.4100
+H12 3.350520015 6.869520092 2.583936095 WTR 3 h* H 0.4100
+end
+O1 3.985632133 5.410440016 1.812528062 WTR 4 o* O -0.8200
+H11 4.970664167 5.586623812 1.901016068 WTR 4 h* H 0.4100
+H12 4.033223963 4.442111921 2.060784101 WTR 4 h* H 0.4100
+end
+O1 1.344383991 1.367640030 5.875344086 WTR 5 o* O -0.8200
+H11 1.556711948 2.309399986 5.813136148 WTR 5 h* H 0.4100
+H12 0.630144024 1.341864002 6.548687983 WTR 5 h* H 0.4100
+end
+O1 0.732240003 0.728207999 3.522168088 WTR 6 o* O -0.8200
+H11 1.093391991 0.133343996 4.209912014 WTR 6 h* H 0.4100
+H12 0.568655992 1.451015961 4.075056124 WTR 6 h* H 0.4100
+end
+O1 2.891015983 7.045991850 4.660992193 WTR 7 o* O -0.8200
+H11 3.343967915 6.323039961 5.084495831 WTR 7 h* H 0.4100
+H12 2.646215916 0.212472005 5.564231873 WTR 7 h* H 0.4100
+end
+O1 2.803895903 6.645096016 7.140239954 WTR 8 o* O -0.8200
+H11 3.289896083 6.875423956 0.747576016 WTR 8 h* H 0.4100
+H12 3.050567937 5.710175800 0.055799999 WTR 8 h* H 0.4100
+end
+end
+Frame 3 Number of Picoseconds = 5.1500
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.711000019 0.492120016 0.990287983 WTR 1 o* O -0.8200
+H11 1.163016021 0.757511991 1.810152054 WTR 1 h* H 0.4100
+H12 1.601927984 0.311904001 0.531359982 WTR 1 h* H 0.4100
+end
+O1 6.059520006 6.742800093 2.409191895 WTR 2 o* O -0.8200
+H11 6.539976168 6.942888165 3.208751965 WTR 2 h* H 0.4100
+H12 6.548400021 0.181008004 1.913111973 WTR 2 h* H 0.4100
+end
+O1 2.851128101 0.434880012 2.226743960 WTR 3 o* O -0.8200
+H11 2.793240023 0.704520017 3.184920001 WTR 3 h* H 0.4100
+H12 3.311640000 6.811992073 2.550096059 WTR 3 h* H 0.4100
+end
+O1 4.017023849 5.447736025 1.724400008 WTR 4 o* O -0.8200
+H11 5.052887821 5.477760029 1.815192032 WTR 4 h* H 0.4100
+H12 3.806496191 4.653288031 2.253816032 WTR 4 h* H 0.4100
+end
+O1 1.276776016 1.276056004 5.882616091 WTR 5 o* O -0.8200
+H11 1.311047995 2.248991919 5.986656189 WTR 5 h* H 0.4100
+H12 0.596375978 1.036727965 6.544511890 WTR 5 h* H 0.4100
+end
+O1 0.691128016 0.825624007 3.500711918 WTR 6 o* O -0.8200
+H11 1.160279953 0.358919987 4.233024073 WTR 6 h* H 0.4100
+H12 0.559367985 1.739880002 3.949127913 WTR 6 h* H 0.4100
+end
+O1 2.977559924 7.081775951 4.662864161 WTR 7 o* O -0.8200
+H11 3.621240091 6.645456076 5.265287876 WTR 7 h* H 0.4100
+H12 2.522519946 0.278639996 5.415695858 WTR 7 h* H 0.4100
+end
+O1 2.913336039 6.708096170 7.108271885 WTR 8 o* O -0.8200
+H11 3.265271902 0.012384000 0.677304018 WTR 8 h* H 0.4100
+H12 3.154823899 5.800824165 0.240624002 WTR 8 h* H 0.4100
+end
+end
+Frame 4 Number of Picoseconds = 5.2000
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.697535974 0.356687987 0.997416008 WTR 1 o* O -0.8200
+H11 0.976391995 0.646128005 1.922616005 WTR 1 h* H 0.4100
+H12 1.554336047 0.379151997 0.479735988 WTR 1 h* H 0.4100
+end
+O1 6.184295940 6.597647953 2.557872105 WTR 2 o* O -0.8200
+H11 6.401808071 6.999696064 3.462264061 WTR 2 h* H 0.4100
+H12 6.941663790 7.051967812 2.105640078 WTR 2 h* H 0.4100
+end
+O1 2.925719905 0.609695989 2.124576044 WTR 3 o* O -0.8200
+H11 2.797992039 0.977183998 3.038328052 WTR 3 h* H 0.4100
+H12 3.282912040 6.958584023 2.517048025 WTR 3 h* H 0.4100
+end
+O1 4.028759909 5.573880100 1.824696064 WTR 4 o* O -0.8200
+H11 4.974191809 5.553863955 1.971648073 WTR 4 h* H 0.4100
+H12 3.791735888 4.679711866 2.177279949 WTR 4 h* H 0.4100
+end
+O1 1.227888036 1.316304052 5.946911860 WTR 5 o* O -0.8200
+H11 1.263024008 2.294928074 6.034680176 WTR 5 h* H 0.4100
+H12 0.600192010 1.193327987 6.723647833 WTR 5 h* H 0.4100
+end
+O1 0.782856023 0.856223989 3.495383978 WTR 6 o* O -0.8200
+H11 1.577015948 0.427895996 3.934583902 WTR 6 h* H 0.4100
+H12 0.643176019 1.503216040 4.174560070 WTR 6 h* H 0.4100
+end
+O1 2.846591949 7.148952198 4.558031845 WTR 7 o* O -0.8200
+H11 3.674304056 6.851015854 4.966343880 WTR 7 h* H 0.4100
+H12 2.399040055 0.045288000 5.449895954 WTR 7 h* H 0.4100
+end
+O1 2.800007987 6.561792183 6.998400021 WTR 8 o* O -0.8200
+H11 3.045600057 6.948719931 0.680471975 WTR 8 h* H 0.4100
+H12 3.147048068 5.659200096 7.170263958 WTR 8 h* H 0.4100
+end
+end
+Frame 5 Number of Picoseconds = 5.2500
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.677447999 0.454464000 1.051776016 WTR 1 o* O -0.8200
+H11 1.192463994 0.687528008 1.876032043 WTR 1 h* H 0.4100
+H12 1.436832011 0.371808001 0.441503996 WTR 1 h* H 0.4100
+end
+O1 6.311375999 6.377472067 2.554200053 WTR 2 o* O -0.8200
+H11 6.487559795 6.340536118 3.495959902 WTR 2 h* H 0.4100
+H12 7.071120071 6.984288168 2.246183968 WTR 2 h* H 0.4100
+end
+O1 2.910095930 0.608328009 2.146032000 WTR 3 o* O -0.8200
+H11 2.564928031 0.776808017 3.064392042 WTR 3 h* H 0.4100
+H12 3.358152080 6.987744141 2.495951915 WTR 3 h* H 0.4100
+end
+O1 3.981959867 5.584248018 1.721880019 WTR 4 o* O -0.8200
+H11 4.950287962 5.821992159 1.943856096 WTR 4 h* H 0.4100
+H12 4.066415977 4.644144058 1.999728012 WTR 4 h* H 0.4100
+end
+O1 1.139759982 1.205783951 5.937767887 WTR 5 o* O -0.8200
+H11 1.104983962 2.151792097 6.154271936 WTR 5 h* H 0.4100
+H12 0.647712010 0.816407990 6.680592155 WTR 5 h* H 0.4100
+end
+O1 0.784080023 0.831672013 3.501144075 WTR 6 o* O -0.8200
+H11 1.266048038 0.577151996 4.329144144 WTR 6 h* H 0.4100
+H12 0.142416005 1.515167964 3.979296112 WTR 6 h* H 0.4100
+end
+O1 2.891736102 7.193015957 4.560623932 WTR 7 o* O -0.8200
+H11 3.187727952 6.321167994 4.886351824 WTR 7 h* H 0.4100
+H12 2.786687922 0.433007991 5.464296198 WTR 7 h* H 0.4100
+end
+O1 2.824127913 6.804863834 7.023744106 WTR 8 o* O -0.8200
+H11 3.261815929 0.039672000 0.588599986 WTR 8 h* H 0.4100
+H12 3.116520023 5.889167976 0.059904000 WTR 8 h* H 0.4100
+end
+end
+Frame 6 Number of Picoseconds = 5.3000
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.630503976 0.418967995 0.970775986 WTR 1 o* O -0.8200
+H11 1.031544006 0.806184000 1.821887898 WTR 1 h* H 0.4100
+H12 1.453175998 0.299735999 0.453743988 WTR 1 h* H 0.4100
+end
+O1 6.394176006 6.197183847 2.432015991 WTR 2 o* O -0.8200
+H11 6.648479891 6.339671803 3.364272022 WTR 2 h* H 0.4100
+H12 7.104600048 6.844679832 2.257199907 WTR 2 h* H 0.4100
+end
+O1 2.814191937 0.654839981 2.191392016 WTR 3 o* O -0.8200
+H11 2.293992090 0.975168049 2.990375948 WTR 3 h* H 0.4100
+H12 3.366143990 7.193879843 2.763432097 WTR 3 h* H 0.4100
+end
+O1 3.949055815 5.635655880 1.773792028 WTR 4 o* O -0.8200
+H11 4.936967897 5.687280035 1.804176092 WTR 4 h* H 0.4100
+H12 3.832056141 4.710311794 2.078568006 WTR 4 h* H 0.4100
+end
+O1 1.225584018 1.349136007 5.889312172 WTR 5 o* O -0.8200
+H11 1.484784007 2.321855950 5.976575804 WTR 5 h* H 0.4100
+H12 0.578447986 1.216584027 6.641855907 WTR 5 h* H 0.4100
+end
+O1 0.668376017 0.703008002 3.512016034 WTR 6 o* O -0.8200
+H11 1.214784050 0.428472000 4.290335798 WTR 6 h* H 0.4100
+H12 0.152568005 1.261224031 4.095143938 WTR 6 h* H 0.4100
+end
+O1 2.910960031 7.140600014 4.607999897 WTR 7 o* O -0.8200
+H11 3.731039858 7.014095879 5.183928108 WTR 7 h* H 0.4100
+H12 2.376503921 0.124992000 5.400360060 WTR 7 h* H 0.4100
+end
+O1 2.919960022 6.901776123 7.096392059 WTR 8 o* O -0.8200
+H11 3.188807917 0.012960000 0.819000024 WTR 8 h* H 0.4100
+H12 3.372623992 6.052320099 0.139176004 WTR 8 h* H 0.4100
+end
+end
+Frame 7 Number of Picoseconds = 5.3500
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.681840008 0.581687987 1.026648009 WTR 1 o* O -0.8200
+H11 1.083456016 0.859463990 1.875455904 WTR 1 h* H 0.4100
+H12 1.559448016 0.402767989 0.594576001 WTR 1 h* H 0.4100
+end
+O1 6.323832178 6.073488092 2.298023987 WTR 2 o* O -0.8200
+H11 6.825743866 6.188615799 3.118967915 WTR 2 h* H 0.4100
+H12 6.738839865 6.851592207 1.866096067 WTR 2 h* H 0.4100
+end
+O1 2.858544087 0.735695976 2.211984086 WTR 3 o* O -0.8200
+H11 2.780351901 1.294919980 3.005999923 WTR 3 h* H 0.4100
+H12 3.192192006 7.088184071 2.615255928 WTR 3 h* H 0.4100
+end
+O1 3.902903795 5.665679884 1.852632022 WTR 4 o* O -0.8200
+H11 4.888943911 5.545152140 1.843919992 WTR 4 h* H 0.4100
+H12 3.620447874 4.914503860 2.399544096 WTR 4 h* H 0.4100
+end
+O1 1.187567997 1.361880040 5.822135925 WTR 5 o* O -0.8200
+H11 1.158335996 2.323151994 6.054335833 WTR 5 h* H 0.4100
+H12 0.511055982 1.029311979 6.455015802 WTR 5 h* H 0.4100
+end
+O1 0.714959979 0.448776001 3.522168088 WTR 6 o* O -0.8200
+H11 1.522439969 0.256248003 4.049639940 WTR 6 h* H 0.4100
+H12 0.399744013 1.145736051 4.144967794 WTR 6 h* H 0.4100
+end
+O1 2.987207937 0.056159998 4.631472015 WTR 7 o* O -0.8200
+H11 2.966543984 6.358464003 5.050224066 WTR 7 h* H 0.4100
+H12 2.724192023 0.539423990 5.513111973 WTR 7 h* H 0.4100
+end
+O1 2.876688051 6.898391819 7.138728046 WTR 8 o* O -0.8200
+H11 3.124296069 0.137015994 0.811223978 WTR 8 h* H 0.4100
+H12 3.341015983 6.027911997 0.202175997 WTR 8 h* H 0.4100
+end
+end
+Frame 8 Number of Picoseconds = 5.4000
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.689976007 0.674639994 1.046375978 WTR 1 o* O -0.8200
+H11 1.179288018 0.869040012 1.872935915 WTR 1 h* H 0.4100
+H12 1.548575950 0.456480002 0.554256016 WTR 1 h* H 0.4100
+end
+O1 6.380207920 6.160752153 2.233152080 WTR 2 o* O -0.8200
+H11 6.974784136 6.154847860 3.065976048 WTR 2 h* H 0.4100
+H12 6.788159895 6.939575958 1.794744051 WTR 2 h* H 0.4100
+end
+O1 2.898792028 0.719496024 2.252736068 WTR 3 o* O -0.8200
+H11 2.751984000 1.229760003 3.074615979 WTR 3 h* H 0.4100
+H12 3.222576070 7.096752119 2.715407896 WTR 3 h* H 0.4100
+end
+O1 3.914711952 5.619239902 1.807055926 WTR 4 o* O -0.8200
+H11 4.942224169 5.491295958 1.859687948 WTR 4 h* H 0.4100
+H12 3.487895894 4.802327871 2.186423922 WTR 4 h* H 0.4100
+end
+O1 1.031759977 1.262375987 5.822208023 WTR 5 o* O -0.8200
+H11 0.922895980 2.229624009 6.004151917 WTR 5 h* H 0.4100
+H12 0.580823994 0.948239958 6.654672146 WTR 5 h* H 0.4100
+end
+O1 0.724319977 0.401832005 3.522239971 WTR 6 o* O -0.8200
+H11 1.466999996 0.287999994 4.135752153 WTR 6 h* H 0.4100
+H12 0.175104006 1.018584001 4.138775969 WTR 6 h* H 0.4100
+end
+O1 2.921975970 0.058031999 4.665167856 WTR 7 o* O -0.8200
+H11 3.729743814 0.090144002 5.195159912 WTR 7 h* H 0.4100
+H12 2.418047905 0.066024003 5.525711918 WTR 7 h* H 0.4100
+end
+O1 2.955384064 6.917759943 7.141032171 WTR 8 o* O -0.8200
+H11 3.352391982 0.191015996 0.712007993 WTR 8 h* H 0.4100
+H12 3.155688000 6.010415840 0.328680012 WTR 8 h* H 0.4100
+end
+end
+Frame 9 Number of Picoseconds = 5.4500
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.714959979 0.603072006 0.968040025 WTR 1 o* O -0.8200
+H11 1.263095999 0.798479998 1.811159921 WTR 1 h* H 0.4100
+H12 1.463688004 0.558215976 0.338256007 WTR 1 h* H 0.4100
+end
+O1 6.405839968 6.118128204 2.183471990 WTR 2 o* O -0.8200
+H11 7.039727926 6.127848101 2.921256065 WTR 2 h* H 0.4100
+H12 6.661008167 6.993072081 1.694447994 WTR 2 h* H 0.4100
+end
+O1 2.848679996 0.697391993 2.247407913 WTR 3 o* O -0.8200
+H11 2.386943936 0.943488050 3.090312052 WTR 3 h* H 0.4100
+H12 3.420935941 0.032544000 2.770200062 WTR 3 h* H 0.4100
+end
+O1 3.934080076 5.640119934 1.875528002 WTR 4 o* O -0.8200
+H11 4.859424162 5.423112059 1.922255945 WTR 4 h* H 0.4100
+H12 3.545783973 4.852080059 2.276639915 WTR 4 h* H 0.4100
+end
+O1 1.146096003 1.373400021 5.833511925 WTR 5 o* O -0.8200
+H11 1.009799981 2.354903984 5.825519800 WTR 5 h* H 0.4100
+H12 0.428903997 1.158120024 6.510600185 WTR 5 h* H 0.4100
+end
+O1 0.727559978 0.398736012 3.565944099 WTR 6 o* O -0.8200
+H11 1.207295966 0.319319987 4.473647833 WTR 6 h* H 0.4100
+H12 0.138815998 1.068048012 3.947400141 WTR 6 h* H 0.4100
+end
+O1 2.980800033 0.118223995 4.698504066 WTR 7 o* O -0.8200
+H11 3.425616074 6.558336210 5.115167856 WTR 7 h* H 0.4100
+H12 2.681639957 0.547056001 5.574168062 WTR 7 h* H 0.4100
+end
+O1 2.820600057 6.892344189 7.157231855 WTR 8 o* O -0.8200
+H11 3.277007961 7.011792183 0.804456013 WTR 8 h* H 0.4100
+H12 2.911608052 5.904360008 0.115200005 WTR 8 h* H 0.4100
+end
+end
+Frame 10 Number of Picoseconds = 5.5000
+!DATE Thu Sep 6 15:29:47 2001
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.653760016 0.606455988 1.053216040 WTR 1 o* O -0.8200
+H11 1.111391973 0.852191985 1.865375948 WTR 1 h* H 0.4100
+H12 1.394207954 0.389232007 0.421199995 WTR 1 h* H 0.4100
+end
+O1 6.470279932 6.136704111 2.291327906 WTR 2 o* O -0.8200
+H11 6.859583902 6.385319996 3.212784076 WTR 2 h* H 0.4100
+H12 7.078104115 6.759864092 1.934064102 WTR 2 h* H 0.4100
+end
+O1 2.845511985 0.639863974 2.225088072 WTR 3 o* O -0.8200
+H11 2.638007927 0.928439999 3.146112084 WTR 3 h* H 0.4100
+H12 3.292560053 7.034184122 2.520720077 WTR 3 h* H 0.4100
+end
+O1 4.074048042 5.694407845 1.742615962 WTR 4 o* O -0.8200
+H11 5.097455835 5.533776140 1.747728038 WTR 4 h* H 0.4100
+H12 3.815280104 4.814496088 2.163095999 WTR 4 h* H 0.4100
+end
+O1 1.124495959 1.296288013 5.887223911 WTR 5 o* O -0.8200
+H11 1.304711974 2.253239894 5.959152174 WTR 5 h* H 0.4100
+H12 0.454032004 1.074528015 6.563952112 WTR 5 h* H 0.4100
+end
+O1 0.697103977 0.596160007 3.525839925 WTR 6 o* O -0.8200
+H11 1.223784041 0.430272004 4.395599842 WTR 6 h* H 0.4100
+H12 0.172800002 1.388808024 3.964752102 WTR 6 h* H 0.4100
+end
+O1 2.882520032 0.033984001 4.647815895 WTR 7 o* O -0.8200
+H11 3.315168071 6.529679918 5.187456179 WTR 7 h* H 0.4100
+H12 2.643839908 0.501767975 5.504255962 WTR 7 h* H 0.4100
+end
+O1 2.782151985 6.822792149 7.132535791 WTR 8 o* O -0.8200
+H11 3.196944022 0.108216003 0.712584025 WTR 8 h* H 0.4100
+H12 2.898863912 5.900328112 0.271296000 WTR 8 h* H 0.4100
+end
+end
diff --git a/tools/lmp2arc/test/correct/water8.arc.trueflags b/tools/lmp2arc/test/correct/water8.arc.trueflags
new file mode 100644
index 0000000000..d5c1a23387
--- /dev/null
+++ b/tools/lmp2arc/test/correct/water8.arc.trueflags
@@ -0,0 +1,398 @@
+!BIOSYM archive 3
+PBC=ON
+Frame 0 Number of Picoseconds = 5.0000
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.643248010 0.777744001 0.939744008 WTR 1 o* O -0.8200
+H11 1.121400046 0.905544019 1.801944065 WTR 1 h* H 0.4100
+H12 1.495439994 0.381167999 0.460295981 WTR 1 h* H 0.4100
+end
+O1 6.377903795 6.354432106 2.353248096 WTR 2 o* O -0.8200
+H11 6.969096136 6.404400158 3.197592044 WTR 2 h* H 0.4100
+H12 6.860231924 7.085376120 1.893959928 WTR 2 h* H 0.4100
+end
+O1 2.777328086 7.743599975 2.234376025 WTR 3 o* O -0.8200
+H11 2.326680064 8.160479951 3.006935906 WTR 3 h* H 0.4100
+H12 3.093768024 6.987024021 2.808791900 WTR 3 h* H 0.4100
+end
+O1 4.044887924 5.510304022 1.766304052 WTR 4 o* O -0.8200
+H11 5.041511822 5.491583920 1.714175963 WTR 4 h* H 0.4100
+H12 3.839111853 4.667327785 2.287439990 WTR 4 h* H 0.4100
+end
+O1 1.456920040 1.436471951 5.896152020 WTR 5 o* O -0.8200
+H11 1.795608044 2.354399943 5.825591898 WTR 5 h* H 0.4100
+H12 0.776808017 1.533671987 6.644735956 WTR 5 h* H 0.4100
+end
+O1 0.645119977 0.804960001 3.574799895 WTR 6 o* O -0.8200
+H11 1.211760020 0.483047980 4.318775797 WTR 6 h* H 0.4100
+H12 0.191952007 1.505303979 4.087368107 WTR 6 h* H 0.4100
+end
+O1 2.751119900 6.932088089 4.621895885 WTR 7 o* O -0.8200
+H11 2.843711901 6.166800213 5.214600134 WTR 7 h* H 0.4100
+H12 2.705256057 7.482672000 5.459184122 WTR 7 h* H 0.4100
+end
+O1 2.847239971 6.672167873 7.105968189 WTR 8 o* O -0.8200
+H11 3.199895954 7.019280052 7.962192017 WTR 8 h* H 0.4100
+H12 2.801664090 5.774687862 7.497000012 WTR 8 h* H 0.4100
+end
+end
+Frame 1 Number of Picoseconds = 5.0500
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.787464005 0.702144009 1.022687995 WTR 1 o* O -0.8200
+H11 1.261224031 0.940608001 1.842984009 WTR 1 h* H 0.4100
+H12 1.495152032 0.496656007 0.457487977 WTR 1 h* H 0.4100
+end
+O1 6.228648090 -0.593928194 2.280311966 WTR 2 o* O -0.8200
+H11 6.579287910 -0.694511890 3.152663970 WTR 2 h* H 0.4100
+H12 6.906744003 0.095184001 2.001383901 WTR 2 h* H 0.4100
+end
+O1 2.961720085 7.632575995 2.279663944 WTR 3 o* O -0.8200
+H11 2.808215976 8.034192002 3.171672034 WTR 3 h* H 0.4100
+H12 3.319776106 6.820991850 2.693519998 WTR 3 h* H 0.4100
+end
+O1 4.020191860 5.430168200 1.728504002 WTR 4 o* O -0.8200
+H11 4.941431952 5.639471912 1.764144015 WTR 4 h* H 0.4100
+H12 4.014575958 4.480128050 1.745208049 WTR 4 h* H 0.4100
+end
+O1 1.246895993 1.396152020 5.866631842 WTR 5 o* O -0.8200
+H11 1.592640030 2.332368064 5.899392128 WTR 5 h* H 0.4100
+H12 0.572184008 1.531511950 6.572448063 WTR 5 h* H 0.4100
+end
+O1 0.712511981 0.765359974 3.554783964 WTR 6 o* O -0.8200
+H11 1.439495981 0.479375982 4.145327854 WTR 6 h* H 0.4100
+H12 0.433296007 1.464119947 4.176144075 WTR 6 h* H 0.4100
+end
+O1 2.728656077 6.963191843 4.645943928 WTR 7 o* O -0.8200
+H11 3.408552074 6.317351961 5.011056089 WTR 7 h* H 0.4100
+H12 2.620007944 7.405056006 5.514840174 WTR 7 h* H 0.4100
+end
+O1 2.781791925 6.725951958 7.154640198 WTR 8 o* O -0.8200
+H11 3.255047965 7.079759789 7.962192017 WTR 8 h* H 0.4100
+H12 2.831255937 5.743151951 7.426511988 WTR 8 h* H 0.4100
+end
+end
+Frame 2 Number of Picoseconds = 5.1000
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.748728025 0.588095999 0.996191955 WTR 1 o* O -0.8200
+H11 1.335527980 0.838799983 1.774151981 WTR 1 h* H 0.4100
+H12 1.458215976 0.362951991 0.341352001 WTR 1 h* H 0.4100
+end
+O1 6.050879860 -0.439487886 2.297663927 WTR 2 o* O -0.8200
+H11 6.377544165 -0.325584126 3.235032034 WTR 2 h* H 0.4100
+H12 6.719327974 0.183599997 1.901664090 WTR 2 h* H 0.4100
+end
+O1 2.932199907 7.712136000 2.235168028 WTR 3 o* O -0.8200
+H11 2.719512105 8.069832015 3.124511933 WTR 3 h* H 0.4100
+H12 3.350520015 6.869520092 2.583936095 WTR 3 h* H 0.4100
+end
+O1 3.985632133 5.410440016 1.812528062 WTR 4 o* O -0.8200
+H11 4.970664167 5.586623812 1.901016068 WTR 4 h* H 0.4100
+H12 4.033223963 4.442111921 2.060784101 WTR 4 h* H 0.4100
+end
+O1 1.344383991 1.367640030 5.875344086 WTR 5 o* O -0.8200
+H11 1.556711948 2.309399986 5.813136148 WTR 5 h* H 0.4100
+H12 0.630144024 1.341864002 6.548687983 WTR 5 h* H 0.4100
+end
+O1 0.732240003 0.728207999 3.522168088 WTR 6 o* O -0.8200
+H11 1.093391991 0.133343996 4.209912014 WTR 6 h* H 0.4100
+H12 0.568655992 1.451015961 4.075056124 WTR 6 h* H 0.4100
+end
+O1 2.891015983 7.045991850 4.660992193 WTR 7 o* O -0.8200
+H11 3.343967915 6.323039961 5.084495831 WTR 7 h* H 0.4100
+H12 2.646215916 7.412472005 5.564231873 WTR 7 h* H 0.4100
+end
+O1 2.803895903 6.645096016 7.140239954 WTR 8 o* O -0.8200
+H11 3.289896083 6.875423956 7.947576016 WTR 8 h* H 0.4100
+H12 3.050567937 5.710175800 7.255799999 WTR 8 h* H 0.4100
+end
+end
+Frame 3 Number of Picoseconds = 5.1500
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.711000019 0.492120016 0.990287983 WTR 1 o* O -0.8200
+H11 1.163016021 0.757511991 1.810152054 WTR 1 h* H 0.4100
+H12 1.601927984 0.311904001 0.531359982 WTR 1 h* H 0.4100
+end
+O1 6.059520006 -0.457199907 2.409191895 WTR 2 o* O -0.8200
+H11 6.539976168 -0.257111835 3.208751965 WTR 2 h* H 0.4100
+H12 6.548400021 0.181008004 1.913111973 WTR 2 h* H 0.4100
+end
+O1 2.851128101 7.634880012 2.226743960 WTR 3 o* O -0.8200
+H11 2.793240023 7.904520017 3.184920001 WTR 3 h* H 0.4100
+H12 3.311640000 6.811992073 2.550096059 WTR 3 h* H 0.4100
+end
+O1 4.017023849 5.447736025 1.724400008 WTR 4 o* O -0.8200
+H11 5.052887821 5.477760029 1.815192032 WTR 4 h* H 0.4100
+H12 3.806496191 4.653288031 2.253816032 WTR 4 h* H 0.4100
+end
+O1 1.276776016 1.276056004 5.882616091 WTR 5 o* O -0.8200
+H11 1.311047995 2.248991919 5.986656189 WTR 5 h* H 0.4100
+H12 0.596375978 1.036727965 6.544511890 WTR 5 h* H 0.4100
+end
+O1 0.691128016 0.825624007 3.500711918 WTR 6 o* O -0.8200
+H11 1.160279953 0.358919987 4.233024073 WTR 6 h* H 0.4100
+H12 0.559367985 1.739880002 3.949127913 WTR 6 h* H 0.4100
+end
+O1 2.977559924 7.081775951 4.662864161 WTR 7 o* O -0.8200
+H11 3.621240091 6.645456076 5.265287876 WTR 7 h* H 0.4100
+H12 2.522519946 7.478639996 5.415695858 WTR 7 h* H 0.4100
+end
+O1 2.913336039 6.708096170 7.108271885 WTR 8 o* O -0.8200
+H11 3.265271902 7.212384000 7.877304018 WTR 8 h* H 0.4100
+H12 3.154823899 5.800824165 7.440624002 WTR 8 h* H 0.4100
+end
+end
+Frame 4 Number of Picoseconds = 5.2000
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.697535974 0.356687987 0.997416008 WTR 1 o* O -0.8200
+H11 0.976391995 0.646128005 1.922616005 WTR 1 h* H 0.4100
+H12 1.554336047 0.379151997 0.479735988 WTR 1 h* H 0.4100
+end
+O1 6.184295940 6.597647953 2.557872105 WTR 2 o* O -0.8200
+H11 6.401808071 6.999696064 3.462264061 WTR 2 h* H 0.4100
+H12 6.941663790 7.051967812 2.105640078 WTR 2 h* H 0.4100
+end
+O1 2.925719905 7.809695989 2.124576044 WTR 3 o* O -0.8200
+H11 2.797992039 8.177183998 3.038328052 WTR 3 h* H 0.4100
+H12 3.282912040 6.958584023 2.517048025 WTR 3 h* H 0.4100
+end
+O1 4.028759909 5.573880100 1.824696064 WTR 4 o* O -0.8200
+H11 4.974191809 5.553863955 1.971648073 WTR 4 h* H 0.4100
+H12 3.791735888 4.679711866 2.177279949 WTR 4 h* H 0.4100
+end
+O1 1.227888036 1.316304052 5.946911860 WTR 5 o* O -0.8200
+H11 1.263024008 2.294928074 6.034680176 WTR 5 h* H 0.4100
+H12 0.600192010 1.193327987 6.723647833 WTR 5 h* H 0.4100
+end
+O1 0.782856023 0.856223989 3.495383978 WTR 6 o* O -0.8200
+H11 1.577015948 0.427895996 3.934583902 WTR 6 h* H 0.4100
+H12 0.643176019 1.503216040 4.174560070 WTR 6 h* H 0.4100
+end
+O1 2.846591949 7.148952198 4.558031845 WTR 7 o* O -0.8200
+H11 3.674304056 6.851015854 4.966343880 WTR 7 h* H 0.4100
+H12 2.399040055 7.245288000 5.449895954 WTR 7 h* H 0.4100
+end
+O1 2.800007987 6.561792183 6.998400021 WTR 8 o* O -0.8200
+H11 3.045600057 6.948719931 7.880471975 WTR 8 h* H 0.4100
+H12 3.147048068 5.659200096 7.170263958 WTR 8 h* H 0.4100
+end
+end
+Frame 5 Number of Picoseconds = 5.2500
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.677447999 0.454464000 1.051776016 WTR 1 o* O -0.8200
+H11 1.192463994 0.687528008 1.876032043 WTR 1 h* H 0.4100
+H12 1.436832011 0.371808001 0.441503996 WTR 1 h* H 0.4100
+end
+O1 6.311375999 6.377472067 2.554200053 WTR 2 o* O -0.8200
+H11 6.487559795 6.340536118 3.495959902 WTR 2 h* H 0.4100
+H12 7.071120071 6.984288168 2.246183968 WTR 2 h* H 0.4100
+end
+O1 2.910095930 7.808328009 2.146032000 WTR 3 o* O -0.8200
+H11 2.564928031 7.976808017 3.064392042 WTR 3 h* H 0.4100
+H12 3.358152080 6.987744141 2.495951915 WTR 3 h* H 0.4100
+end
+O1 3.981959867 5.584248018 1.721880019 WTR 4 o* O -0.8200
+H11 4.950287962 5.821992159 1.943856096 WTR 4 h* H 0.4100
+H12 4.066415977 4.644144058 1.999728012 WTR 4 h* H 0.4100
+end
+O1 1.139759982 1.205783951 5.937767887 WTR 5 o* O -0.8200
+H11 1.104983962 2.151792097 6.154271936 WTR 5 h* H 0.4100
+H12 0.647712010 0.816407990 6.680592155 WTR 5 h* H 0.4100
+end
+O1 0.784080023 0.831672013 3.501144075 WTR 6 o* O -0.8200
+H11 1.266048038 0.577151996 4.329144144 WTR 6 h* H 0.4100
+H12 0.142416005 1.515167964 3.979296112 WTR 6 h* H 0.4100
+end
+O1 2.891736102 7.193015957 4.560623932 WTR 7 o* O -0.8200
+H11 3.187727952 6.321167994 4.886351824 WTR 7 h* H 0.4100
+H12 2.786687922 7.633007991 5.464296198 WTR 7 h* H 0.4100
+end
+O1 2.824127913 6.804863834 7.023744106 WTR 8 o* O -0.8200
+H11 3.261815929 7.239672000 7.788599986 WTR 8 h* H 0.4100
+H12 3.116520023 5.889167976 7.259904000 WTR 8 h* H 0.4100
+end
+end
+Frame 6 Number of Picoseconds = 5.3000
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.630503976 0.418967995 0.970775986 WTR 1 o* O -0.8200
+H11 1.031544006 0.806184000 1.821887898 WTR 1 h* H 0.4100
+H12 1.453175998 0.299735999 0.453743988 WTR 1 h* H 0.4100
+end
+O1 6.394176006 6.197183847 2.432015991 WTR 2 o* O -0.8200
+H11 6.648479891 6.339671803 3.364272022 WTR 2 h* H 0.4100
+H12 7.104600048 6.844679832 2.257199907 WTR 2 h* H 0.4100
+end
+O1 2.814191937 7.854839981 2.191392016 WTR 3 o* O -0.8200
+H11 2.293992090 8.175168049 2.990375948 WTR 3 h* H 0.4100
+H12 3.366143990 7.193879843 2.763432097 WTR 3 h* H 0.4100
+end
+O1 3.949055815 5.635655880 1.773792028 WTR 4 o* O -0.8200
+H11 4.936967897 5.687280035 1.804176092 WTR 4 h* H 0.4100
+H12 3.832056141 4.710311794 2.078568006 WTR 4 h* H 0.4100
+end
+O1 1.225584018 1.349136007 5.889312172 WTR 5 o* O -0.8200
+H11 1.484784007 2.321855950 5.976575804 WTR 5 h* H 0.4100
+H12 0.578447986 1.216584027 6.641855907 WTR 5 h* H 0.4100
+end
+O1 0.668376017 0.703008002 3.512016034 WTR 6 o* O -0.8200
+H11 1.214784050 0.428472000 4.290335798 WTR 6 h* H 0.4100
+H12 0.152568005 1.261224031 4.095143938 WTR 6 h* H 0.4100
+end
+O1 2.910960031 7.140600014 4.607999897 WTR 7 o* O -0.8200
+H11 3.731039858 7.014095879 5.183928108 WTR 7 h* H 0.4100
+H12 2.376503921 7.324992000 5.400360060 WTR 7 h* H 0.4100
+end
+O1 2.919960022 6.901776123 7.096392059 WTR 8 o* O -0.8200
+H11 3.188807917 7.212960000 8.019000024 WTR 8 h* H 0.4100
+H12 3.372623992 6.052320099 7.339176004 WTR 8 h* H 0.4100
+end
+end
+Frame 7 Number of Picoseconds = 5.3500
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.681840008 0.581687987 1.026648009 WTR 1 o* O -0.8200
+H11 1.083456016 0.859463990 1.875455904 WTR 1 h* H 0.4100
+H12 1.559448016 0.402767989 0.594576001 WTR 1 h* H 0.4100
+end
+O1 6.323832178 6.073488092 2.298023987 WTR 2 o* O -0.8200
+H11 6.825743866 6.188615799 3.118967915 WTR 2 h* H 0.4100
+H12 6.738839865 6.851592207 1.866096067 WTR 2 h* H 0.4100
+end
+O1 2.858544087 7.935695976 2.211984086 WTR 3 o* O -0.8200
+H11 2.780351901 8.494919980 3.005999923 WTR 3 h* H 0.4100
+H12 3.192192006 7.088184071 2.615255928 WTR 3 h* H 0.4100
+end
+O1 3.902903795 5.665679884 1.852632022 WTR 4 o* O -0.8200
+H11 4.888943911 5.545152140 1.843919992 WTR 4 h* H 0.4100
+H12 3.620447874 4.914503860 2.399544096 WTR 4 h* H 0.4100
+end
+O1 1.187567997 1.361880040 5.822135925 WTR 5 o* O -0.8200
+H11 1.158335996 2.323151994 6.054335833 WTR 5 h* H 0.4100
+H12 0.511055982 1.029311979 6.455015802 WTR 5 h* H 0.4100
+end
+O1 0.714959979 0.448776001 3.522168088 WTR 6 o* O -0.8200
+H11 1.522439969 0.256248003 4.049639940 WTR 6 h* H 0.4100
+H12 0.399744013 1.145736051 4.144967794 WTR 6 h* H 0.4100
+end
+O1 2.987207937 7.256159998 4.631472015 WTR 7 o* O -0.8200
+H11 2.966543984 6.358464003 5.050224066 WTR 7 h* H 0.4100
+H12 2.724192023 7.739423990 5.513111973 WTR 7 h* H 0.4100
+end
+O1 2.876688051 6.898391819 7.138728046 WTR 8 o* O -0.8200
+H11 3.124296069 7.337015994 8.011223978 WTR 8 h* H 0.4100
+H12 3.341015983 6.027911997 7.402175997 WTR 8 h* H 0.4100
+end
+end
+Frame 8 Number of Picoseconds = 5.4000
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.689976007 0.674639994 1.046375978 WTR 1 o* O -0.8200
+H11 1.179288018 0.869040012 1.872935915 WTR 1 h* H 0.4100
+H12 1.548575950 0.456480002 0.554256016 WTR 1 h* H 0.4100
+end
+O1 6.380207920 6.160752153 2.233152080 WTR 2 o* O -0.8200
+H11 6.974784136 6.154847860 3.065976048 WTR 2 h* H 0.4100
+H12 6.788159895 6.939575958 1.794744051 WTR 2 h* H 0.4100
+end
+O1 2.898792028 7.919496024 2.252736068 WTR 3 o* O -0.8200
+H11 2.751984000 8.429760003 3.074615979 WTR 3 h* H 0.4100
+H12 3.222576070 7.096752119 2.715407896 WTR 3 h* H 0.4100
+end
+O1 3.914711952 5.619239902 1.807055926 WTR 4 o* O -0.8200
+H11 4.942224169 5.491295958 1.859687948 WTR 4 h* H 0.4100
+H12 3.487895894 4.802327871 2.186423922 WTR 4 h* H 0.4100
+end
+O1 1.031759977 1.262375987 5.822208023 WTR 5 o* O -0.8200
+H11 0.922895980 2.229624009 6.004151917 WTR 5 h* H 0.4100
+H12 0.580823994 0.948239958 6.654672146 WTR 5 h* H 0.4100
+end
+O1 0.724319977 0.401832005 3.522239971 WTR 6 o* O -0.8200
+H11 1.466999996 0.287999994 4.135752153 WTR 6 h* H 0.4100
+H12 0.175104006 1.018584001 4.138775969 WTR 6 h* H 0.4100
+end
+O1 2.921975970 0.058031999 4.665167856 WTR 7 o* O -0.8200
+H11 3.729743814 0.090144002 5.195159912 WTR 7 h* H 0.4100
+H12 2.418047905 0.066024003 5.525711918 WTR 7 h* H 0.4100
+end
+O1 2.955384064 6.917759943 7.141032171 WTR 8 o* O -0.8200
+H11 3.352391982 7.391015996 7.912007993 WTR 8 h* H 0.4100
+H12 3.155688000 6.010415840 7.528680012 WTR 8 h* H 0.4100
+end
+end
+Frame 9 Number of Picoseconds = 5.4500
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.714959979 0.603072006 0.968040025 WTR 1 o* O -0.8200
+H11 1.263095999 0.798479998 1.811159921 WTR 1 h* H 0.4100
+H12 1.463688004 0.558215976 0.338256007 WTR 1 h* H 0.4100
+end
+O1 6.405839968 6.118128204 2.183471990 WTR 2 o* O -0.8200
+H11 7.039727926 6.127848101 2.921256065 WTR 2 h* H 0.4100
+H12 6.661008167 6.993072081 1.694447994 WTR 2 h* H 0.4100
+end
+O1 2.848679996 0.697391993 2.247407913 WTR 3 o* O -0.8200
+H11 2.386943936 0.943488050 3.090312052 WTR 3 h* H 0.4100
+H12 3.420935941 0.032544000 2.770200062 WTR 3 h* H 0.4100
+end
+O1 3.934080076 5.640119934 1.875528002 WTR 4 o* O -0.8200
+H11 4.859424162 5.423112059 1.922255945 WTR 4 h* H 0.4100
+H12 3.545783973 4.852080059 2.276639915 WTR 4 h* H 0.4100
+end
+O1 1.146096003 1.373400021 5.833511925 WTR 5 o* O -0.8200
+H11 1.009799981 2.354903984 5.825519800 WTR 5 h* H 0.4100
+H12 0.428903997 1.158120024 6.510600185 WTR 5 h* H 0.4100
+end
+O1 0.727559978 0.398736012 3.565944099 WTR 6 o* O -0.8200
+H11 1.207295966 0.319319987 4.473647833 WTR 6 h* H 0.4100
+H12 0.138815998 1.068048012 3.947400141 WTR 6 h* H 0.4100
+end
+O1 2.980800033 7.318223995 4.698504066 WTR 7 o* O -0.8200
+H11 3.425616074 6.558336210 5.115167856 WTR 7 h* H 0.4100
+H12 2.681639957 7.747056001 5.574168062 WTR 7 h* H 0.4100
+end
+O1 2.820600057 6.892344189 7.157231855 WTR 8 o* O -0.8200
+H11 3.277007961 7.011792183 8.004456013 WTR 8 h* H 0.4100
+H12 2.911608052 5.904360008 7.315200005 WTR 8 h* H 0.4100
+end
+end
+Frame 10 Number of Picoseconds = 5.5000
+!DATE Fri Oct 9 14:19:16 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.653760016 0.606455988 1.053216040 WTR 1 o* O -0.8200
+H11 1.111391973 0.852191985 1.865375948 WTR 1 h* H 0.4100
+H12 1.394207954 0.389232007 0.421199995 WTR 1 h* H 0.4100
+end
+O1 6.470279932 6.136704111 2.291327906 WTR 2 o* O -0.8200
+H11 6.859583902 6.385319996 3.212784076 WTR 2 h* H 0.4100
+H12 7.078104115 6.759864092 1.934064102 WTR 2 h* H 0.4100
+end
+O1 2.845511985 7.839863974 2.225088072 WTR 3 o* O -0.8200
+H11 2.638007927 8.128439999 3.146112084 WTR 3 h* H 0.4100
+H12 3.292560053 7.034184122 2.520720077 WTR 3 h* H 0.4100
+end
+O1 4.074048042 5.694407845 1.742615962 WTR 4 o* O -0.8200
+H11 5.097455835 5.533776140 1.747728038 WTR 4 h* H 0.4100
+H12 3.815280104 4.814496088 2.163095999 WTR 4 h* H 0.4100
+end
+O1 1.124495959 1.296288013 5.887223911 WTR 5 o* O -0.8200
+H11 1.304711974 2.253239894 5.959152174 WTR 5 h* H 0.4100
+H12 0.454032004 1.074528015 6.563952112 WTR 5 h* H 0.4100
+end
+O1 0.697103977 0.596160007 3.525839925 WTR 6 o* O -0.8200
+H11 1.223784041 0.430272004 4.395599842 WTR 6 h* H 0.4100
+H12 0.172800002 1.388808024 3.964752102 WTR 6 h* H 0.4100
+end
+O1 2.882520032 7.233984001 4.647815895 WTR 7 o* O -0.8200
+H11 3.315168071 6.529679918 5.187456179 WTR 7 h* H 0.4100
+H12 2.643839908 7.701767975 5.504255962 WTR 7 h* H 0.4100
+end
+O1 2.782151985 6.822792149 7.132535791 WTR 8 o* O -0.8200
+H11 3.196944022 7.308216003 7.912584025 WTR 8 h* H 0.4100
+H12 2.898863912 5.900328112 7.471296000 WTR 8 h* H 0.4100
+end
+end
diff --git a/tools/lmp2arc/test/correct/water8.arc.unwrap b/tools/lmp2arc/test/correct/water8.arc.unwrap
new file mode 100644
index 0000000000..6f943994bd
--- /dev/null
+++ b/tools/lmp2arc/test/correct/water8.arc.unwrap
@@ -0,0 +1,398 @@
+!BIOSYM archive 3
+PBC=ON
+Frame 0 Number of Picoseconds = 5.0000
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.643248010 0.777744001 0.939744008 WTR 1 o* O -0.8200
+H11 1.121400046 0.905544019 1.801944065 WTR 1 h* H 0.4100
+H12 1.495439994 0.381167999 0.460295981 WTR 1 h* H 0.4100
+end
+O1 6.377903795 6.354432106 2.353248096 WTR 2 o* O -0.8200
+H11 6.969096136 6.404400158 3.197592044 WTR 2 h* H 0.4100
+H12 6.860231924 7.085376120 1.893959928 WTR 2 h* H 0.4100
+end
+O1 2.777328086 0.543599975 2.234376025 WTR 3 o* O -0.8200
+H11 2.326680064 0.960479951 3.006935906 WTR 3 h* H 0.4100
+H12 3.093768024 -0.212975979 2.808791900 WTR 3 h* H 0.4100
+end
+O1 4.044887924 5.510304022 1.766304052 WTR 4 o* O -0.8200
+H11 5.041511822 5.491583920 1.714175963 WTR 4 h* H 0.4100
+H12 3.839111853 4.667327785 2.287439990 WTR 4 h* H 0.4100
+end
+O1 1.456920040 1.436471951 5.896152020 WTR 5 o* O -0.8200
+H11 1.795608044 2.354399943 5.825591898 WTR 5 h* H 0.4100
+H12 0.776808017 1.533671987 6.644735956 WTR 5 h* H 0.4100
+end
+O1 0.645119977 0.804960001 3.574799895 WTR 6 o* O -0.8200
+H11 1.211760020 0.483047980 4.318775797 WTR 6 h* H 0.4100
+H12 0.191952007 1.505303979 4.087368107 WTR 6 h* H 0.4100
+end
+O1 2.751119900 6.932088089 4.621895885 WTR 7 o* O -0.8200
+H11 2.843711901 6.166800213 5.214600134 WTR 7 h* H 0.4100
+H12 2.705256057 7.482672000 5.459184122 WTR 7 h* H 0.4100
+end
+O1 2.847239971 6.672167873 -0.094031811 WTR 8 o* O -0.8200
+H11 3.199895954 7.019280052 0.762192017 WTR 8 h* H 0.4100
+H12 2.801664090 5.774687862 0.297000012 WTR 8 h* H 0.4100
+end
+end
+Frame 1 Number of Picoseconds = 5.0500
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.787464005 0.702144009 1.022687995 WTR 1 o* O -0.8200
+H11 1.261224031 0.940608001 1.842984009 WTR 1 h* H 0.4100
+H12 1.495152032 0.496656007 0.457487977 WTR 1 h* H 0.4100
+end
+O1 6.228648090 6.606071806 2.280311966 WTR 2 o* O -0.8200
+H11 6.579287910 6.505488110 3.152663970 WTR 2 h* H 0.4100
+H12 6.906744003 7.295184001 2.001383901 WTR 2 h* H 0.4100
+end
+O1 2.961720085 0.432575995 2.279663944 WTR 3 o* O -0.8200
+H11 2.808215976 0.834192002 3.171672034 WTR 3 h* H 0.4100
+H12 3.319776106 -0.379008150 2.693519998 WTR 3 h* H 0.4100
+end
+O1 4.020191860 5.430168200 1.728504002 WTR 4 o* O -0.8200
+H11 4.941431952 5.639471912 1.764144015 WTR 4 h* H 0.4100
+H12 4.014575958 4.480128050 1.745208049 WTR 4 h* H 0.4100
+end
+O1 1.246895993 1.396152020 5.866631842 WTR 5 o* O -0.8200
+H11 1.592640030 2.332368064 5.899392128 WTR 5 h* H 0.4100
+H12 0.572184008 1.531511950 6.572448063 WTR 5 h* H 0.4100
+end
+O1 0.712511981 0.765359974 3.554783964 WTR 6 o* O -0.8200
+H11 1.439495981 0.479375982 4.145327854 WTR 6 h* H 0.4100
+H12 0.433296007 1.464119947 4.176144075 WTR 6 h* H 0.4100
+end
+O1 2.728656077 6.963191843 4.645943928 WTR 7 o* O -0.8200
+H11 3.408552074 6.317351961 5.011056089 WTR 7 h* H 0.4100
+H12 2.620007944 7.405056006 5.514840174 WTR 7 h* H 0.4100
+end
+O1 2.781791925 6.725951958 -0.045359802 WTR 8 o* O -0.8200
+H11 3.255047965 7.079759789 0.762192017 WTR 8 h* H 0.4100
+H12 2.831255937 5.743151951 0.226511988 WTR 8 h* H 0.4100
+end
+end
+Frame 2 Number of Picoseconds = 5.1000
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.748728025 0.588095999 0.996191955 WTR 1 o* O -0.8200
+H11 1.335527980 0.838799983 1.774151981 WTR 1 h* H 0.4100
+H12 1.458215976 0.362951991 0.341352001 WTR 1 h* H 0.4100
+end
+O1 6.050879860 6.760512114 2.297663927 WTR 2 o* O -0.8200
+H11 6.377544165 6.874415874 3.235032034 WTR 2 h* H 0.4100
+H12 6.719327974 7.383599997 1.901664090 WTR 2 h* H 0.4100
+end
+O1 2.932199907 0.512136000 2.235168028 WTR 3 o* O -0.8200
+H11 2.719512105 0.869832015 3.124511933 WTR 3 h* H 0.4100
+H12 3.350520015 -0.330479908 2.583936095 WTR 3 h* H 0.4100
+end
+O1 3.985632133 5.410440016 1.812528062 WTR 4 o* O -0.8200
+H11 4.970664167 5.586623812 1.901016068 WTR 4 h* H 0.4100
+H12 4.033223963 4.442111921 2.060784101 WTR 4 h* H 0.4100
+end
+O1 1.344383991 1.367640030 5.875344086 WTR 5 o* O -0.8200
+H11 1.556711948 2.309399986 5.813136148 WTR 5 h* H 0.4100
+H12 0.630144024 1.341864002 6.548687983 WTR 5 h* H 0.4100
+end
+O1 0.732240003 0.728207999 3.522168088 WTR 6 o* O -0.8200
+H11 1.093391991 0.133343996 4.209912014 WTR 6 h* H 0.4100
+H12 0.568655992 1.451015961 4.075056124 WTR 6 h* H 0.4100
+end
+O1 2.891015983 7.045991850 4.660992193 WTR 7 o* O -0.8200
+H11 3.343967915 6.323039961 5.084495831 WTR 7 h* H 0.4100
+H12 2.646215916 7.412472005 5.564231873 WTR 7 h* H 0.4100
+end
+O1 2.803895903 6.645096016 -0.059760046 WTR 8 o* O -0.8200
+H11 3.289896083 6.875423956 0.747576016 WTR 8 h* H 0.4100
+H12 3.050567937 5.710175800 0.055799999 WTR 8 h* H 0.4100
+end
+end
+Frame 3 Number of Picoseconds = 5.1500
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.711000019 0.492120016 0.990287983 WTR 1 o* O -0.8200
+H11 1.163016021 0.757511991 1.810152054 WTR 1 h* H 0.4100
+H12 1.601927984 0.311904001 0.531359982 WTR 1 h* H 0.4100
+end
+O1 6.059520006 6.742800093 2.409191895 WTR 2 o* O -0.8200
+H11 6.539976168 6.942888165 3.208751965 WTR 2 h* H 0.4100
+H12 6.548400021 7.381008004 1.913111973 WTR 2 h* H 0.4100
+end
+O1 2.851128101 0.434880012 2.226743960 WTR 3 o* O -0.8200
+H11 2.793240023 0.704520017 3.184920001 WTR 3 h* H 0.4100
+H12 3.311640000 -0.388007927 2.550096059 WTR 3 h* H 0.4100
+end
+O1 4.017023849 5.447736025 1.724400008 WTR 4 o* O -0.8200
+H11 5.052887821 5.477760029 1.815192032 WTR 4 h* H 0.4100
+H12 3.806496191 4.653288031 2.253816032 WTR 4 h* H 0.4100
+end
+O1 1.276776016 1.276056004 5.882616091 WTR 5 o* O -0.8200
+H11 1.311047995 2.248991919 5.986656189 WTR 5 h* H 0.4100
+H12 0.596375978 1.036727965 6.544511890 WTR 5 h* H 0.4100
+end
+O1 0.691128016 0.825624007 3.500711918 WTR 6 o* O -0.8200
+H11 1.160279953 0.358919987 4.233024073 WTR 6 h* H 0.4100
+H12 0.559367985 1.739880002 3.949127913 WTR 6 h* H 0.4100
+end
+O1 2.977559924 7.081775951 4.662864161 WTR 7 o* O -0.8200
+H11 3.621240091 6.645456076 5.265287876 WTR 7 h* H 0.4100
+H12 2.522519946 7.478639996 5.415695858 WTR 7 h* H 0.4100
+end
+O1 2.913336039 6.708096170 -0.091728115 WTR 8 o* O -0.8200
+H11 3.265271902 7.212384000 0.677304018 WTR 8 h* H 0.4100
+H12 3.154823899 5.800824165 0.240624002 WTR 8 h* H 0.4100
+end
+end
+Frame 4 Number of Picoseconds = 5.2000
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.697535974 0.356687987 0.997416008 WTR 1 o* O -0.8200
+H11 0.976391995 0.646128005 1.922616005 WTR 1 h* H 0.4100
+H12 1.554336047 0.379151997 0.479735988 WTR 1 h* H 0.4100
+end
+O1 6.184295940 6.597647953 2.557872105 WTR 2 o* O -0.8200
+H11 6.401808071 6.999696064 3.462264061 WTR 2 h* H 0.4100
+H12 6.941663790 7.051967812 2.105640078 WTR 2 h* H 0.4100
+end
+O1 2.925719905 0.609695989 2.124576044 WTR 3 o* O -0.8200
+H11 2.797992039 0.977183998 3.038328052 WTR 3 h* H 0.4100
+H12 3.282912040 -0.241415977 2.517048025 WTR 3 h* H 0.4100
+end
+O1 4.028759909 5.573880100 1.824696064 WTR 4 o* O -0.8200
+H11 4.974191809 5.553863955 1.971648073 WTR 4 h* H 0.4100
+H12 3.791735888 4.679711866 2.177279949 WTR 4 h* H 0.4100
+end
+O1 1.227888036 1.316304052 5.946911860 WTR 5 o* O -0.8200
+H11 1.263024008 2.294928074 6.034680176 WTR 5 h* H 0.4100
+H12 0.600192010 1.193327987 6.723647833 WTR 5 h* H 0.4100
+end
+O1 0.782856023 0.856223989 3.495383978 WTR 6 o* O -0.8200
+H11 1.577015948 0.427895996 3.934583902 WTR 6 h* H 0.4100
+H12 0.643176019 1.503216040 4.174560070 WTR 6 h* H 0.4100
+end
+O1 2.846591949 7.148952198 4.558031845 WTR 7 o* O -0.8200
+H11 3.674304056 6.851015854 4.966343880 WTR 7 h* H 0.4100
+H12 2.399040055 7.245288000 5.449895954 WTR 7 h* H 0.4100
+end
+O1 2.800007987 6.561792183 6.998400021 WTR 8 o* O -0.8200
+H11 3.045600057 6.948719931 7.880471975 WTR 8 h* H 0.4100
+H12 3.147048068 5.659200096 7.170263958 WTR 8 h* H 0.4100
+end
+end
+Frame 5 Number of Picoseconds = 5.2500
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.677447999 0.454464000 1.051776016 WTR 1 o* O -0.8200
+H11 1.192463994 0.687528008 1.876032043 WTR 1 h* H 0.4100
+H12 1.436832011 0.371808001 0.441503996 WTR 1 h* H 0.4100
+end
+O1 6.311375999 6.377472067 2.554200053 WTR 2 o* O -0.8200
+H11 6.487559795 6.340536118 3.495959902 WTR 2 h* H 0.4100
+H12 7.071120071 6.984288168 2.246183968 WTR 2 h* H 0.4100
+end
+O1 2.910095930 0.608328009 2.146032000 WTR 3 o* O -0.8200
+H11 2.564928031 0.776808017 3.064392042 WTR 3 h* H 0.4100
+H12 3.358152080 -0.212255859 2.495951915 WTR 3 h* H 0.4100
+end
+O1 3.981959867 5.584248018 1.721880019 WTR 4 o* O -0.8200
+H11 4.950287962 5.821992159 1.943856096 WTR 4 h* H 0.4100
+H12 4.066415977 4.644144058 1.999728012 WTR 4 h* H 0.4100
+end
+O1 1.139759982 1.205783951 5.937767887 WTR 5 o* O -0.8200
+H11 1.104983962 2.151792097 6.154271936 WTR 5 h* H 0.4100
+H12 0.647712010 0.816407990 6.680592155 WTR 5 h* H 0.4100
+end
+O1 0.784080023 0.831672013 3.501144075 WTR 6 o* O -0.8200
+H11 1.266048038 0.577151996 4.329144144 WTR 6 h* H 0.4100
+H12 0.142416005 1.515167964 3.979296112 WTR 6 h* H 0.4100
+end
+O1 2.891736102 7.193015957 4.560623932 WTR 7 o* O -0.8200
+H11 3.187727952 6.321167994 4.886351824 WTR 7 h* H 0.4100
+H12 2.786687922 7.633007991 5.464296198 WTR 7 h* H 0.4100
+end
+O1 2.824127913 6.804863834 -0.176255894 WTR 8 o* O -0.8200
+H11 3.261815929 7.239672000 0.588599986 WTR 8 h* H 0.4100
+H12 3.116520023 5.889167976 0.059904000 WTR 8 h* H 0.4100
+end
+end
+Frame 6 Number of Picoseconds = 5.3000
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.630503976 0.418967995 0.970775986 WTR 1 o* O -0.8200
+H11 1.031544006 0.806184000 1.821887898 WTR 1 h* H 0.4100
+H12 1.453175998 0.299735999 0.453743988 WTR 1 h* H 0.4100
+end
+O1 6.394176006 6.197183847 2.432015991 WTR 2 o* O -0.8200
+H11 6.648479891 6.339671803 3.364272022 WTR 2 h* H 0.4100
+H12 7.104600048 6.844679832 2.257199907 WTR 2 h* H 0.4100
+end
+O1 2.814191937 0.654839981 2.191392016 WTR 3 o* O -0.8200
+H11 2.293992090 0.975168049 2.990375948 WTR 3 h* H 0.4100
+H12 3.366143990 -0.006120157 2.763432097 WTR 3 h* H 0.4100
+end
+O1 3.949055815 5.635655880 1.773792028 WTR 4 o* O -0.8200
+H11 4.936967897 5.687280035 1.804176092 WTR 4 h* H 0.4100
+H12 3.832056141 4.710311794 2.078568006 WTR 4 h* H 0.4100
+end
+O1 1.225584018 1.349136007 5.889312172 WTR 5 o* O -0.8200
+H11 1.484784007 2.321855950 5.976575804 WTR 5 h* H 0.4100
+H12 0.578447986 1.216584027 6.641855907 WTR 5 h* H 0.4100
+end
+O1 0.668376017 0.703008002 3.512016034 WTR 6 o* O -0.8200
+H11 1.214784050 0.428472000 4.290335798 WTR 6 h* H 0.4100
+H12 0.152568005 1.261224031 4.095143938 WTR 6 h* H 0.4100
+end
+O1 2.910960031 7.140600014 4.607999897 WTR 7 o* O -0.8200
+H11 3.731039858 7.014095879 5.183928108 WTR 7 h* H 0.4100
+H12 2.376503921 7.324992000 5.400360060 WTR 7 h* H 0.4100
+end
+O1 2.919960022 6.901776123 -0.103607941 WTR 8 o* O -0.8200
+H11 3.188807917 7.212960000 0.819000024 WTR 8 h* H 0.4100
+H12 3.372623992 6.052320099 0.139176004 WTR 8 h* H 0.4100
+end
+end
+Frame 7 Number of Picoseconds = 5.3500
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.681840008 0.581687987 1.026648009 WTR 1 o* O -0.8200
+H11 1.083456016 0.859463990 1.875455904 WTR 1 h* H 0.4100
+H12 1.559448016 0.402767989 0.594576001 WTR 1 h* H 0.4100
+end
+O1 6.323832178 6.073488092 2.298023987 WTR 2 o* O -0.8200
+H11 6.825743866 6.188615799 3.118967915 WTR 2 h* H 0.4100
+H12 6.738839865 6.851592207 1.866096067 WTR 2 h* H 0.4100
+end
+O1 2.858544087 0.735695976 2.211984086 WTR 3 o* O -0.8200
+H11 2.780351901 1.294919980 3.005999923 WTR 3 h* H 0.4100
+H12 3.192192006 -0.111815929 2.615255928 WTR 3 h* H 0.4100
+end
+O1 3.902903795 5.665679884 1.852632022 WTR 4 o* O -0.8200
+H11 4.888943911 5.545152140 1.843919992 WTR 4 h* H 0.4100
+H12 3.620447874 4.914503860 2.399544096 WTR 4 h* H 0.4100
+end
+O1 1.187567997 1.361880040 5.822135925 WTR 5 o* O -0.8200
+H11 1.158335996 2.323151994 6.054335833 WTR 5 h* H 0.4100
+H12 0.511055982 1.029311979 6.455015802 WTR 5 h* H 0.4100
+end
+O1 0.714959979 0.448776001 3.522168088 WTR 6 o* O -0.8200
+H11 1.522439969 0.256248003 4.049639940 WTR 6 h* H 0.4100
+H12 0.399744013 1.145736051 4.144967794 WTR 6 h* H 0.4100
+end
+O1 2.987207937 0.056159998 4.631472015 WTR 7 o* O -0.8200
+H11 2.966543984 -0.841535997 5.050224066 WTR 7 h* H 0.4100
+H12 2.724192023 0.539423990 5.513111973 WTR 7 h* H 0.4100
+end
+O1 2.876688051 6.898391819 -0.061271954 WTR 8 o* O -0.8200
+H11 3.124296069 7.337015994 0.811223978 WTR 8 h* H 0.4100
+H12 3.341015983 6.027911997 0.202175997 WTR 8 h* H 0.4100
+end
+end
+Frame 8 Number of Picoseconds = 5.4000
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.689976007 0.674639994 1.046375978 WTR 1 o* O -0.8200
+H11 1.179288018 0.869040012 1.872935915 WTR 1 h* H 0.4100
+H12 1.548575950 0.456480002 0.554256016 WTR 1 h* H 0.4100
+end
+O1 6.380207920 6.160752153 2.233152080 WTR 2 o* O -0.8200
+H11 6.974784136 6.154847860 3.065976048 WTR 2 h* H 0.4100
+H12 6.788159895 6.939575958 1.794744051 WTR 2 h* H 0.4100
+end
+O1 2.898792028 0.719496024 2.252736068 WTR 3 o* O -0.8200
+H11 2.751984000 1.229760003 3.074615979 WTR 3 h* H 0.4100
+H12 3.222576070 -0.103247881 2.715407896 WTR 3 h* H 0.4100
+end
+O1 3.914711952 5.619239902 1.807055926 WTR 4 o* O -0.8200
+H11 4.942224169 5.491295958 1.859687948 WTR 4 h* H 0.4100
+H12 3.487895894 4.802327871 2.186423922 WTR 4 h* H 0.4100
+end
+O1 1.031759977 1.262375987 5.822208023 WTR 5 o* O -0.8200
+H11 0.922895980 2.229624009 6.004151917 WTR 5 h* H 0.4100
+H12 0.580823994 0.948239958 6.654672146 WTR 5 h* H 0.4100
+end
+O1 0.724319977 0.401832005 3.522239971 WTR 6 o* O -0.8200
+H11 1.466999996 0.287999994 4.135752153 WTR 6 h* H 0.4100
+H12 0.175104006 1.018584001 4.138775969 WTR 6 h* H 0.4100
+end
+O1 2.921975970 0.058031999 4.665167856 WTR 7 o* O -0.8200
+H11 3.729743814 0.090144002 5.195159912 WTR 7 h* H 0.4100
+H12 2.418047905 0.066024003 5.525711918 WTR 7 h* H 0.4100
+end
+O1 2.955384064 6.917759943 -0.058967829 WTR 8 o* O -0.8200
+H11 3.352391982 7.391015996 0.712007993 WTR 8 h* H 0.4100
+H12 3.155688000 6.010415840 0.328680012 WTR 8 h* H 0.4100
+end
+end
+Frame 9 Number of Picoseconds = 5.4500
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.714959979 0.603072006 0.968040025 WTR 1 o* O -0.8200
+H11 1.263095999 0.798479998 1.811159921 WTR 1 h* H 0.4100
+H12 1.463688004 0.558215976 0.338256007 WTR 1 h* H 0.4100
+end
+O1 6.405839968 6.118128204 2.183471990 WTR 2 o* O -0.8200
+H11 7.039727926 6.127848101 2.921256065 WTR 2 h* H 0.4100
+H12 6.661008167 6.993072081 1.694447994 WTR 2 h* H 0.4100
+end
+O1 2.848679996 0.697391993 2.247407913 WTR 3 o* O -0.8200
+H11 2.386943936 0.943488050 3.090312052 WTR 3 h* H 0.4100
+H12 3.420935941 0.032544000 2.770200062 WTR 3 h* H 0.4100
+end
+O1 3.934080076 5.640119934 1.875528002 WTR 4 o* O -0.8200
+H11 4.859424162 5.423112059 1.922255945 WTR 4 h* H 0.4100
+H12 3.545783973 4.852080059 2.276639915 WTR 4 h* H 0.4100
+end
+O1 1.146096003 1.373400021 5.833511925 WTR 5 o* O -0.8200
+H11 1.009799981 2.354903984 5.825519800 WTR 5 h* H 0.4100
+H12 0.428903997 1.158120024 6.510600185 WTR 5 h* H 0.4100
+end
+O1 0.727559978 0.398736012 3.565944099 WTR 6 o* O -0.8200
+H11 1.207295966 0.319319987 4.473647833 WTR 6 h* H 0.4100
+H12 0.138815998 1.068048012 3.947400141 WTR 6 h* H 0.4100
+end
+O1 2.980800033 0.118223995 4.698504066 WTR 7 o* O -0.8200
+H11 3.425616074 -0.641663790 5.115167856 WTR 7 h* H 0.4100
+H12 2.681639957 0.547056001 5.574168062 WTR 7 h* H 0.4100
+end
+O1 2.820600057 6.892344189 -0.042768145 WTR 8 o* O -0.8200
+H11 3.277007961 7.011792183 0.804456013 WTR 8 h* H 0.4100
+H12 2.911608052 5.904360008 0.115200005 WTR 8 h* H 0.4100
+end
+end
+Frame 10 Number of Picoseconds = 5.5000
+!DATE Tue Oct 13 14:43:59 1998
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.653760016 0.606455988 1.053216040 WTR 1 o* O -0.8200
+H11 1.111391973 0.852191985 1.865375948 WTR 1 h* H 0.4100
+H12 1.394207954 0.389232007 0.421199995 WTR 1 h* H 0.4100
+end
+O1 6.470279932 6.136704111 2.291327906 WTR 2 o* O -0.8200
+H11 6.859583902 6.385319996 3.212784076 WTR 2 h* H 0.4100
+H12 7.078104115 6.759864092 1.934064102 WTR 2 h* H 0.4100
+end
+O1 2.845511985 0.639863974 2.225088072 WTR 3 o* O -0.8200
+H11 2.638007927 0.928439999 3.146112084 WTR 3 h* H 0.4100
+H12 3.292560053 -0.165815878 2.520720077 WTR 3 h* H 0.4100
+end
+O1 4.074048042 5.694407845 1.742615962 WTR 4 o* O -0.8200
+H11 5.097455835 5.533776140 1.747728038 WTR 4 h* H 0.4100
+H12 3.815280104 4.814496088 2.163095999 WTR 4 h* H 0.4100
+end
+O1 1.124495959 1.296288013 5.887223911 WTR 5 o* O -0.8200
+H11 1.304711974 2.253239894 5.959152174 WTR 5 h* H 0.4100
+H12 0.454032004 1.074528015 6.563952112 WTR 5 h* H 0.4100
+end
+O1 0.697103977 0.596160007 3.525839925 WTR 6 o* O -0.8200
+H11 1.223784041 0.430272004 4.395599842 WTR 6 h* H 0.4100
+H12 0.172800002 1.388808024 3.964752102 WTR 6 h* H 0.4100
+end
+O1 2.882520032 0.033984001 4.647815895 WTR 7 o* O -0.8200
+H11 3.315168071 -0.670320082 5.187456179 WTR 7 h* H 0.4100
+H12 2.643839908 0.501767975 5.504255962 WTR 7 h* H 0.4100
+end
+O1 2.782151985 6.822792149 -0.067464209 WTR 8 o* O -0.8200
+H11 3.196944022 7.308216003 0.712584025 WTR 8 h* H 0.4100
+H12 2.898863912 5.900328112 0.271296000 WTR 8 h* H 0.4100
+end
+end
diff --git a/tools/lmp2arc/test/water8.arc b/tools/lmp2arc/test/water8.arc
new file mode 100644
index 0000000000..41daf4b28f
--- /dev/null
+++ b/tools/lmp2arc/test/water8.arc
@@ -0,0 +1,398 @@
+!BIOSYM archive 3
+PBC=ON
+Frame 0 Number of Picoseconds = 5.0000
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.643248010 0.777744001 0.939744008 WTR 1 o* O -0.8200
+H11 1.121400046 0.905544019 1.801944065 WTR 1 h* H 0.4100
+H12 1.495439994 0.381167999 0.460295981 WTR 1 h* H 0.4100
+end
+O1 6.377903795 6.354432106 2.353248096 WTR 2 o* O -0.8200
+H11 6.969096136 6.404400158 3.197592044 WTR 2 h* H 0.4100
+H12 6.860231924 7.085376120 1.893959928 WTR 2 h* H 0.4100
+end
+O1 2.777328086 0.543599975 2.234376025 WTR 3 o* O -0.8200
+H11 2.326680064 0.960479951 3.006935906 WTR 3 h* H 0.4100
+H12 3.093768024 6.987024021 2.808791900 WTR 3 h* H 0.4100
+end
+O1 4.044887924 5.510304022 1.766304052 WTR 4 o* O -0.8200
+H11 5.041511822 5.491583920 1.714175963 WTR 4 h* H 0.4100
+H12 3.839111853 4.667327785 2.287439990 WTR 4 h* H 0.4100
+end
+O1 1.456920040 1.436471951 5.896152020 WTR 5 o* O -0.8200
+H11 1.795608044 2.354399943 5.825591898 WTR 5 h* H 0.4100
+H12 0.776808017 1.533671987 6.644735956 WTR 5 h* H 0.4100
+end
+O1 0.645119977 0.804960001 3.574799895 WTR 6 o* O -0.8200
+H11 1.211760020 0.483047980 4.318775797 WTR 6 h* H 0.4100
+H12 0.191952007 1.505303979 4.087368107 WTR 6 h* H 0.4100
+end
+O1 2.751119900 6.932088089 4.621895885 WTR 7 o* O -0.8200
+H11 2.843711901 6.166800213 5.214600134 WTR 7 h* H 0.4100
+H12 2.705256057 0.282672000 5.459184122 WTR 7 h* H 0.4100
+end
+O1 2.847239971 6.672167873 7.105968189 WTR 8 o* O -0.8200
+H11 3.199895954 7.019280052 0.762192017 WTR 8 h* H 0.4100
+H12 2.801664090 5.774687862 0.297000012 WTR 8 h* H 0.4100
+end
+end
+Frame 1 Number of Picoseconds = 5.0500
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.787464005 0.702144009 1.022687995 WTR 1 o* O -0.8200
+H11 1.261224031 0.940608001 1.842984009 WTR 1 h* H 0.4100
+H12 1.495152032 0.496656007 0.457487977 WTR 1 h* H 0.4100
+end
+O1 6.228648090 6.606071806 2.280311966 WTR 2 o* O -0.8200
+H11 6.579287910 6.505488110 3.152663970 WTR 2 h* H 0.4100
+H12 6.906744003 0.095184001 2.001383901 WTR 2 h* H 0.4100
+end
+O1 2.961720085 0.432575995 2.279663944 WTR 3 o* O -0.8200
+H11 2.808215976 0.834192002 3.171672034 WTR 3 h* H 0.4100
+H12 3.319776106 6.820991850 2.693519998 WTR 3 h* H 0.4100
+end
+O1 4.020191860 5.430168200 1.728504002 WTR 4 o* O -0.8200
+H11 4.941431952 5.639471912 1.764144015 WTR 4 h* H 0.4100
+H12 4.014575958 4.480128050 1.745208049 WTR 4 h* H 0.4100
+end
+O1 1.246895993 1.396152020 5.866631842 WTR 5 o* O -0.8200
+H11 1.592640030 2.332368064 5.899392128 WTR 5 h* H 0.4100
+H12 0.572184008 1.531511950 6.572448063 WTR 5 h* H 0.4100
+end
+O1 0.712511981 0.765359974 3.554783964 WTR 6 o* O -0.8200
+H11 1.439495981 0.479375982 4.145327854 WTR 6 h* H 0.4100
+H12 0.433296007 1.464119947 4.176144075 WTR 6 h* H 0.4100
+end
+O1 2.728656077 6.963191843 4.645943928 WTR 7 o* O -0.8200
+H11 3.408552074 6.317351961 5.011056089 WTR 7 h* H 0.4100
+H12 2.620007944 0.205056006 5.514840174 WTR 7 h* H 0.4100
+end
+O1 2.781791925 6.725951958 7.154640198 WTR 8 o* O -0.8200
+H11 3.255047965 7.079759789 0.762192017 WTR 8 h* H 0.4100
+H12 2.831255937 5.743151951 0.226511988 WTR 8 h* H 0.4100
+end
+end
+Frame 2 Number of Picoseconds = 5.1000
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.748728025 0.588095999 0.996191955 WTR 1 o* O -0.8200
+H11 1.335527980 0.838799983 1.774151981 WTR 1 h* H 0.4100
+H12 1.458215976 0.362951991 0.341352001 WTR 1 h* H 0.4100
+end
+O1 6.050879860 6.760512114 2.297663927 WTR 2 o* O -0.8200
+H11 6.377544165 6.874415874 3.235032034 WTR 2 h* H 0.4100
+H12 6.719327974 0.183599997 1.901664090 WTR 2 h* H 0.4100
+end
+O1 2.932199907 0.512136000 2.235168028 WTR 3 o* O -0.8200
+H11 2.719512105 0.869832015 3.124511933 WTR 3 h* H 0.4100
+H12 3.350520015 6.869520092 2.583936095 WTR 3 h* H 0.4100
+end
+O1 3.985632133 5.410440016 1.812528062 WTR 4 o* O -0.8200
+H11 4.970664167 5.586623812 1.901016068 WTR 4 h* H 0.4100
+H12 4.033223963 4.442111921 2.060784101 WTR 4 h* H 0.4100
+end
+O1 1.344383991 1.367640030 5.875344086 WTR 5 o* O -0.8200
+H11 1.556711948 2.309399986 5.813136148 WTR 5 h* H 0.4100
+H12 0.630144024 1.341864002 6.548687983 WTR 5 h* H 0.4100
+end
+O1 0.732240003 0.728207999 3.522168088 WTR 6 o* O -0.8200
+H11 1.093391991 0.133343996 4.209912014 WTR 6 h* H 0.4100
+H12 0.568655992 1.451015961 4.075056124 WTR 6 h* H 0.4100
+end
+O1 2.891015983 7.045991850 4.660992193 WTR 7 o* O -0.8200
+H11 3.343967915 6.323039961 5.084495831 WTR 7 h* H 0.4100
+H12 2.646215916 0.212472005 5.564231873 WTR 7 h* H 0.4100
+end
+O1 2.803895903 6.645096016 7.140239954 WTR 8 o* O -0.8200
+H11 3.289896083 6.875423956 0.747576016 WTR 8 h* H 0.4100
+H12 3.050567937 5.710175800 0.055799999 WTR 8 h* H 0.4100
+end
+end
+Frame 3 Number of Picoseconds = 5.1500
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.711000019 0.492120016 0.990287983 WTR 1 o* O -0.8200
+H11 1.163016021 0.757511991 1.810152054 WTR 1 h* H 0.4100
+H12 1.601927984 0.311904001 0.531359982 WTR 1 h* H 0.4100
+end
+O1 6.059520006 6.742800093 2.409191895 WTR 2 o* O -0.8200
+H11 6.539976168 6.942888165 3.208751965 WTR 2 h* H 0.4100
+H12 6.548400021 0.181008004 1.913111973 WTR 2 h* H 0.4100
+end
+O1 2.851128101 0.434880012 2.226743960 WTR 3 o* O -0.8200
+H11 2.793240023 0.704520017 3.184920001 WTR 3 h* H 0.4100
+H12 3.311640000 6.811992073 2.550096059 WTR 3 h* H 0.4100
+end
+O1 4.017023849 5.447736025 1.724400008 WTR 4 o* O -0.8200
+H11 5.052887821 5.477760029 1.815192032 WTR 4 h* H 0.4100
+H12 3.806496191 4.653288031 2.253816032 WTR 4 h* H 0.4100
+end
+O1 1.276776016 1.276056004 5.882616091 WTR 5 o* O -0.8200
+H11 1.311047995 2.248991919 5.986656189 WTR 5 h* H 0.4100
+H12 0.596375978 1.036727965 6.544511890 WTR 5 h* H 0.4100
+end
+O1 0.691128016 0.825624007 3.500711918 WTR 6 o* O -0.8200
+H11 1.160279953 0.358919987 4.233024073 WTR 6 h* H 0.4100
+H12 0.559367985 1.739880002 3.949127913 WTR 6 h* H 0.4100
+end
+O1 2.977559924 7.081775951 4.662864161 WTR 7 o* O -0.8200
+H11 3.621240091 6.645456076 5.265287876 WTR 7 h* H 0.4100
+H12 2.522519946 0.278639996 5.415695858 WTR 7 h* H 0.4100
+end
+O1 2.913336039 6.708096170 7.108271885 WTR 8 o* O -0.8200
+H11 3.265271902 0.012384000 0.677304018 WTR 8 h* H 0.4100
+H12 3.154823899 5.800824165 0.240624002 WTR 8 h* H 0.4100
+end
+end
+Frame 4 Number of Picoseconds = 5.2000
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.697535974 0.356687987 0.997416008 WTR 1 o* O -0.8200
+H11 0.976391995 0.646128005 1.922616005 WTR 1 h* H 0.4100
+H12 1.554336047 0.379151997 0.479735988 WTR 1 h* H 0.4100
+end
+O1 6.184295940 6.597647953 2.557872105 WTR 2 o* O -0.8200
+H11 6.401808071 6.999696064 3.462264061 WTR 2 h* H 0.4100
+H12 6.941663790 7.051967812 2.105640078 WTR 2 h* H 0.4100
+end
+O1 2.925719905 0.609695989 2.124576044 WTR 3 o* O -0.8200
+H11 2.797992039 0.977183998 3.038328052 WTR 3 h* H 0.4100
+H12 3.282912040 6.958584023 2.517048025 WTR 3 h* H 0.4100
+end
+O1 4.028759909 5.573880100 1.824696064 WTR 4 o* O -0.8200
+H11 4.974191809 5.553863955 1.971648073 WTR 4 h* H 0.4100
+H12 3.791735888 4.679711866 2.177279949 WTR 4 h* H 0.4100
+end
+O1 1.227888036 1.316304052 5.946911860 WTR 5 o* O -0.8200
+H11 1.263024008 2.294928074 6.034680176 WTR 5 h* H 0.4100
+H12 0.600192010 1.193327987 6.723647833 WTR 5 h* H 0.4100
+end
+O1 0.782856023 0.856223989 3.495383978 WTR 6 o* O -0.8200
+H11 1.577015948 0.427895996 3.934583902 WTR 6 h* H 0.4100
+H12 0.643176019 1.503216040 4.174560070 WTR 6 h* H 0.4100
+end
+O1 2.846591949 7.148952198 4.558031845 WTR 7 o* O -0.8200
+H11 3.674304056 6.851015854 4.966343880 WTR 7 h* H 0.4100
+H12 2.399040055 0.045288000 5.449895954 WTR 7 h* H 0.4100
+end
+O1 2.800007987 6.561792183 6.998400021 WTR 8 o* O -0.8200
+H11 3.045600057 6.948719931 0.680471975 WTR 8 h* H 0.4100
+H12 3.147048068 5.659200096 7.170263958 WTR 8 h* H 0.4100
+end
+end
+Frame 5 Number of Picoseconds = 5.2500
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.677447999 0.454464000 1.051776016 WTR 1 o* O -0.8200
+H11 1.192463994 0.687528008 1.876032043 WTR 1 h* H 0.4100
+H12 1.436832011 0.371808001 0.441503996 WTR 1 h* H 0.4100
+end
+O1 6.311375999 6.377472067 2.554200053 WTR 2 o* O -0.8200
+H11 6.487559795 6.340536118 3.495959902 WTR 2 h* H 0.4100
+H12 7.071120071 6.984288168 2.246183968 WTR 2 h* H 0.4100
+end
+O1 2.910095930 0.608328009 2.146032000 WTR 3 o* O -0.8200
+H11 2.564928031 0.776808017 3.064392042 WTR 3 h* H 0.4100
+H12 3.358152080 6.987744141 2.495951915 WTR 3 h* H 0.4100
+end
+O1 3.981959867 5.584248018 1.721880019 WTR 4 o* O -0.8200
+H11 4.950287962 5.821992159 1.943856096 WTR 4 h* H 0.4100
+H12 4.066415977 4.644144058 1.999728012 WTR 4 h* H 0.4100
+end
+O1 1.139759982 1.205783951 5.937767887 WTR 5 o* O -0.8200
+H11 1.104983962 2.151792097 6.154271936 WTR 5 h* H 0.4100
+H12 0.647712010 0.816407990 6.680592155 WTR 5 h* H 0.4100
+end
+O1 0.784080023 0.831672013 3.501144075 WTR 6 o* O -0.8200
+H11 1.266048038 0.577151996 4.329144144 WTR 6 h* H 0.4100
+H12 0.142416005 1.515167964 3.979296112 WTR 6 h* H 0.4100
+end
+O1 2.891736102 7.193015957 4.560623932 WTR 7 o* O -0.8200
+H11 3.187727952 6.321167994 4.886351824 WTR 7 h* H 0.4100
+H12 2.786687922 0.433007991 5.464296198 WTR 7 h* H 0.4100
+end
+O1 2.824127913 6.804863834 7.023744106 WTR 8 o* O -0.8200
+H11 3.261815929 0.039672000 0.588599986 WTR 8 h* H 0.4100
+H12 3.116520023 5.889167976 0.059904000 WTR 8 h* H 0.4100
+end
+end
+Frame 6 Number of Picoseconds = 5.3000
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.630503976 0.418967995 0.970775986 WTR 1 o* O -0.8200
+H11 1.031544006 0.806184000 1.821887898 WTR 1 h* H 0.4100
+H12 1.453175998 0.299735999 0.453743988 WTR 1 h* H 0.4100
+end
+O1 6.394176006 6.197183847 2.432015991 WTR 2 o* O -0.8200
+H11 6.648479891 6.339671803 3.364272022 WTR 2 h* H 0.4100
+H12 7.104600048 6.844679832 2.257199907 WTR 2 h* H 0.4100
+end
+O1 2.814191937 0.654839981 2.191392016 WTR 3 o* O -0.8200
+H11 2.293992090 0.975168049 2.990375948 WTR 3 h* H 0.4100
+H12 3.366143990 7.193879843 2.763432097 WTR 3 h* H 0.4100
+end
+O1 3.949055815 5.635655880 1.773792028 WTR 4 o* O -0.8200
+H11 4.936967897 5.687280035 1.804176092 WTR 4 h* H 0.4100
+H12 3.832056141 4.710311794 2.078568006 WTR 4 h* H 0.4100
+end
+O1 1.225584018 1.349136007 5.889312172 WTR 5 o* O -0.8200
+H11 1.484784007 2.321855950 5.976575804 WTR 5 h* H 0.4100
+H12 0.578447986 1.216584027 6.641855907 WTR 5 h* H 0.4100
+end
+O1 0.668376017 0.703008002 3.512016034 WTR 6 o* O -0.8200
+H11 1.214784050 0.428472000 4.290335798 WTR 6 h* H 0.4100
+H12 0.152568005 1.261224031 4.095143938 WTR 6 h* H 0.4100
+end
+O1 2.910960031 7.140600014 4.607999897 WTR 7 o* O -0.8200
+H11 3.731039858 7.014095879 5.183928108 WTR 7 h* H 0.4100
+H12 2.376503921 0.124992000 5.400360060 WTR 7 h* H 0.4100
+end
+O1 2.919960022 6.901776123 7.096392059 WTR 8 o* O -0.8200
+H11 3.188807917 0.012960000 0.819000024 WTR 8 h* H 0.4100
+H12 3.372623992 6.052320099 0.139176004 WTR 8 h* H 0.4100
+end
+end
+Frame 7 Number of Picoseconds = 5.3500
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.681840008 0.581687987 1.026648009 WTR 1 o* O -0.8200
+H11 1.083456016 0.859463990 1.875455904 WTR 1 h* H 0.4100
+H12 1.559448016 0.402767989 0.594576001 WTR 1 h* H 0.4100
+end
+O1 6.323832178 6.073488092 2.298023987 WTR 2 o* O -0.8200
+H11 6.825743866 6.188615799 3.118967915 WTR 2 h* H 0.4100
+H12 6.738839865 6.851592207 1.866096067 WTR 2 h* H 0.4100
+end
+O1 2.858544087 0.735695976 2.211984086 WTR 3 o* O -0.8200
+H11 2.780351901 1.294919980 3.005999923 WTR 3 h* H 0.4100
+H12 3.192192006 7.088184071 2.615255928 WTR 3 h* H 0.4100
+end
+O1 3.902903795 5.665679884 1.852632022 WTR 4 o* O -0.8200
+H11 4.888943911 5.545152140 1.843919992 WTR 4 h* H 0.4100
+H12 3.620447874 4.914503860 2.399544096 WTR 4 h* H 0.4100
+end
+O1 1.187567997 1.361880040 5.822135925 WTR 5 o* O -0.8200
+H11 1.158335996 2.323151994 6.054335833 WTR 5 h* H 0.4100
+H12 0.511055982 1.029311979 6.455015802 WTR 5 h* H 0.4100
+end
+O1 0.714959979 0.448776001 3.522168088 WTR 6 o* O -0.8200
+H11 1.522439969 0.256248003 4.049639940 WTR 6 h* H 0.4100
+H12 0.399744013 1.145736051 4.144967794 WTR 6 h* H 0.4100
+end
+O1 2.987207937 0.056159998 4.631472015 WTR 7 o* O -0.8200
+H11 2.966543984 6.358464003 5.050224066 WTR 7 h* H 0.4100
+H12 2.724192023 0.539423990 5.513111973 WTR 7 h* H 0.4100
+end
+O1 2.876688051 6.898391819 7.138728046 WTR 8 o* O -0.8200
+H11 3.124296069 0.137015994 0.811223978 WTR 8 h* H 0.4100
+H12 3.341015983 6.027911997 0.202175997 WTR 8 h* H 0.4100
+end
+end
+Frame 8 Number of Picoseconds = 5.4000
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.689976007 0.674639994 1.046375978 WTR 1 o* O -0.8200
+H11 1.179288018 0.869040012 1.872935915 WTR 1 h* H 0.4100
+H12 1.548575950 0.456480002 0.554256016 WTR 1 h* H 0.4100
+end
+O1 6.380207920 6.160752153 2.233152080 WTR 2 o* O -0.8200
+H11 6.974784136 6.154847860 3.065976048 WTR 2 h* H 0.4100
+H12 6.788159895 6.939575958 1.794744051 WTR 2 h* H 0.4100
+end
+O1 2.898792028 0.719496024 2.252736068 WTR 3 o* O -0.8200
+H11 2.751984000 1.229760003 3.074615979 WTR 3 h* H 0.4100
+H12 3.222576070 7.096752119 2.715407896 WTR 3 h* H 0.4100
+end
+O1 3.914711952 5.619239902 1.807055926 WTR 4 o* O -0.8200
+H11 4.942224169 5.491295958 1.859687948 WTR 4 h* H 0.4100
+H12 3.487895894 4.802327871 2.186423922 WTR 4 h* H 0.4100
+end
+O1 1.031759977 1.262375987 5.822208023 WTR 5 o* O -0.8200
+H11 0.922895980 2.229624009 6.004151917 WTR 5 h* H 0.4100
+H12 0.580823994 0.948239958 6.654672146 WTR 5 h* H 0.4100
+end
+O1 0.724319977 0.401832005 3.522239971 WTR 6 o* O -0.8200
+H11 1.466999996 0.287999994 4.135752153 WTR 6 h* H 0.4100
+H12 0.175104006 1.018584001 4.138775969 WTR 6 h* H 0.4100
+end
+O1 2.921975970 0.058031999 4.665167856 WTR 7 o* O -0.8200
+H11 3.729743814 0.090144002 5.195159912 WTR 7 h* H 0.4100
+H12 2.418047905 0.066024003 5.525711918 WTR 7 h* H 0.4100
+end
+O1 2.955384064 6.917759943 7.141032171 WTR 8 o* O -0.8200
+H11 3.352391982 0.191015996 0.712007993 WTR 8 h* H 0.4100
+H12 3.155688000 6.010415840 0.328680012 WTR 8 h* H 0.4100
+end
+end
+Frame 9 Number of Picoseconds = 5.4500
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.714959979 0.603072006 0.968040025 WTR 1 o* O -0.8200
+H11 1.263095999 0.798479998 1.811159921 WTR 1 h* H 0.4100
+H12 1.463688004 0.558215976 0.338256007 WTR 1 h* H 0.4100
+end
+O1 6.405839968 6.118128204 2.183471990 WTR 2 o* O -0.8200
+H11 7.039727926 6.127848101 2.921256065 WTR 2 h* H 0.4100
+H12 6.661008167 6.993072081 1.694447994 WTR 2 h* H 0.4100
+end
+O1 2.848679996 0.697391993 2.247407913 WTR 3 o* O -0.8200
+H11 2.386943936 0.943488050 3.090312052 WTR 3 h* H 0.4100
+H12 3.420935941 0.032544000 2.770200062 WTR 3 h* H 0.4100
+end
+O1 3.934080076 5.640119934 1.875528002 WTR 4 o* O -0.8200
+H11 4.859424162 5.423112059 1.922255945 WTR 4 h* H 0.4100
+H12 3.545783973 4.852080059 2.276639915 WTR 4 h* H 0.4100
+end
+O1 1.146096003 1.373400021 5.833511925 WTR 5 o* O -0.8200
+H11 1.009799981 2.354903984 5.825519800 WTR 5 h* H 0.4100
+H12 0.428903997 1.158120024 6.510600185 WTR 5 h* H 0.4100
+end
+O1 0.727559978 0.398736012 3.565944099 WTR 6 o* O -0.8200
+H11 1.207295966 0.319319987 4.473647833 WTR 6 h* H 0.4100
+H12 0.138815998 1.068048012 3.947400141 WTR 6 h* H 0.4100
+end
+O1 2.980800033 0.118223995 4.698504066 WTR 7 o* O -0.8200
+H11 3.425616074 6.558336210 5.115167856 WTR 7 h* H 0.4100
+H12 2.681639957 0.547056001 5.574168062 WTR 7 h* H 0.4100
+end
+O1 2.820600057 6.892344189 7.157231855 WTR 8 o* O -0.8200
+H11 3.277007961 7.011792183 0.804456013 WTR 8 h* H 0.4100
+H12 2.911608052 5.904360008 0.115200005 WTR 8 h* H 0.4100
+end
+end
+Frame 10 Number of Picoseconds = 5.5000
+!DATE Mon Dec 1 18:08:55 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.653760016 0.606455988 1.053216040 WTR 1 o* O -0.8200
+H11 1.111391973 0.852191985 1.865375948 WTR 1 h* H 0.4100
+H12 1.394207954 0.389232007 0.421199995 WTR 1 h* H 0.4100
+end
+O1 6.470279932 6.136704111 2.291327906 WTR 2 o* O -0.8200
+H11 6.859583902 6.385319996 3.212784076 WTR 2 h* H 0.4100
+H12 7.078104115 6.759864092 1.934064102 WTR 2 h* H 0.4100
+end
+O1 2.845511985 0.639863974 2.225088072 WTR 3 o* O -0.8200
+H11 2.638007927 0.928439999 3.146112084 WTR 3 h* H 0.4100
+H12 3.292560053 7.034184122 2.520720077 WTR 3 h* H 0.4100
+end
+O1 4.074048042 5.694407845 1.742615962 WTR 4 o* O -0.8200
+H11 5.097455835 5.533776140 1.747728038 WTR 4 h* H 0.4100
+H12 3.815280104 4.814496088 2.163095999 WTR 4 h* H 0.4100
+end
+O1 1.124495959 1.296288013 5.887223911 WTR 5 o* O -0.8200
+H11 1.304711974 2.253239894 5.959152174 WTR 5 h* H 0.4100
+H12 0.454032004 1.074528015 6.563952112 WTR 5 h* H 0.4100
+end
+O1 0.697103977 0.596160007 3.525839925 WTR 6 o* O -0.8200
+H11 1.223784041 0.430272004 4.395599842 WTR 6 h* H 0.4100
+H12 0.172800002 1.388808024 3.964752102 WTR 6 h* H 0.4100
+end
+O1 2.882520032 0.033984001 4.647815895 WTR 7 o* O -0.8200
+H11 3.315168071 6.529679918 5.187456179 WTR 7 h* H 0.4100
+H12 2.643839908 0.501767975 5.504255962 WTR 7 h* H 0.4100
+end
+O1 2.782151985 6.822792149 7.132535791 WTR 8 o* O -0.8200
+H11 3.196944022 0.108216003 0.712584025 WTR 8 h* H 0.4100
+H12 2.898863912 5.900328112 0.271296000 WTR 8 h* H 0.4100
+end
+end
diff --git a/tools/lmp2arc/test/water8.arc.trueflags b/tools/lmp2arc/test/water8.arc.trueflags
new file mode 100644
index 0000000000..b7bd68ebea
--- /dev/null
+++ b/tools/lmp2arc/test/water8.arc.trueflags
@@ -0,0 +1,398 @@
+!BIOSYM archive 3
+PBC=ON
+Frame 0 Number of Picoseconds = 5.0000
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.643248010 0.777744001 0.939744008 WTR 1 o* O -0.8200
+H11 1.121400046 0.905544019 1.801944065 WTR 1 h* H 0.4100
+H12 1.495439994 0.381167999 0.460295981 WTR 1 h* H 0.4100
+end
+O1 6.377903795 6.354432106 2.353248096 WTR 2 o* O -0.8200
+H11 6.969096136 6.404400158 3.197592044 WTR 2 h* H 0.4100
+H12 6.860231924 7.085376120 1.893959928 WTR 2 h* H 0.4100
+end
+O1 2.777328086 7.743599975 2.234376025 WTR 3 o* O -0.8200
+H11 2.326680064 8.160479951 3.006935906 WTR 3 h* H 0.4100
+H12 3.093768024 6.987024021 2.808791900 WTR 3 h* H 0.4100
+end
+O1 4.044887924 5.510304022 1.766304052 WTR 4 o* O -0.8200
+H11 5.041511822 5.491583920 1.714175963 WTR 4 h* H 0.4100
+H12 3.839111853 4.667327785 2.287439990 WTR 4 h* H 0.4100
+end
+O1 1.456920040 1.436471951 5.896152020 WTR 5 o* O -0.8200
+H11 1.795608044 2.354399943 5.825591898 WTR 5 h* H 0.4100
+H12 0.776808017 1.533671987 6.644735956 WTR 5 h* H 0.4100
+end
+O1 0.645119977 0.804960001 3.574799895 WTR 6 o* O -0.8200
+H11 1.211760020 0.483047980 4.318775797 WTR 6 h* H 0.4100
+H12 0.191952007 1.505303979 4.087368107 WTR 6 h* H 0.4100
+end
+O1 2.751119900 6.932088089 4.621895885 WTR 7 o* O -0.8200
+H11 2.843711901 6.166800213 5.214600134 WTR 7 h* H 0.4100
+H12 2.705256057 7.482672000 5.459184122 WTR 7 h* H 0.4100
+end
+O1 2.847239971 6.672167873 7.105968189 WTR 8 o* O -0.8200
+H11 3.199895954 7.019280052 7.962192017 WTR 8 h* H 0.4100
+H12 2.801664090 5.774687862 7.497000012 WTR 8 h* H 0.4100
+end
+end
+Frame 1 Number of Picoseconds = 5.0500
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.787464005 0.702144009 1.022687995 WTR 1 o* O -0.8200
+H11 1.261224031 0.940608001 1.842984009 WTR 1 h* H 0.4100
+H12 1.495152032 0.496656007 0.457487977 WTR 1 h* H 0.4100
+end
+O1 6.228648090 -0.593928194 2.280311966 WTR 2 o* O -0.8200
+H11 6.579287910 -0.694511890 3.152663970 WTR 2 h* H 0.4100
+H12 6.906744003 0.095184001 2.001383901 WTR 2 h* H 0.4100
+end
+O1 2.961720085 7.632575995 2.279663944 WTR 3 o* O -0.8200
+H11 2.808215976 8.034192002 3.171672034 WTR 3 h* H 0.4100
+H12 3.319776106 6.820991850 2.693519998 WTR 3 h* H 0.4100
+end
+O1 4.020191860 5.430168200 1.728504002 WTR 4 o* O -0.8200
+H11 4.941431952 5.639471912 1.764144015 WTR 4 h* H 0.4100
+H12 4.014575958 4.480128050 1.745208049 WTR 4 h* H 0.4100
+end
+O1 1.246895993 1.396152020 5.866631842 WTR 5 o* O -0.8200
+H11 1.592640030 2.332368064 5.899392128 WTR 5 h* H 0.4100
+H12 0.572184008 1.531511950 6.572448063 WTR 5 h* H 0.4100
+end
+O1 0.712511981 0.765359974 3.554783964 WTR 6 o* O -0.8200
+H11 1.439495981 0.479375982 4.145327854 WTR 6 h* H 0.4100
+H12 0.433296007 1.464119947 4.176144075 WTR 6 h* H 0.4100
+end
+O1 2.728656077 6.963191843 4.645943928 WTR 7 o* O -0.8200
+H11 3.408552074 6.317351961 5.011056089 WTR 7 h* H 0.4100
+H12 2.620007944 7.405056006 5.514840174 WTR 7 h* H 0.4100
+end
+O1 2.781791925 6.725951958 7.154640198 WTR 8 o* O -0.8200
+H11 3.255047965 7.079759789 7.962192017 WTR 8 h* H 0.4100
+H12 2.831255937 5.743151951 7.426511988 WTR 8 h* H 0.4100
+end
+end
+Frame 2 Number of Picoseconds = 5.1000
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.748728025 0.588095999 0.996191955 WTR 1 o* O -0.8200
+H11 1.335527980 0.838799983 1.774151981 WTR 1 h* H 0.4100
+H12 1.458215976 0.362951991 0.341352001 WTR 1 h* H 0.4100
+end
+O1 6.050879860 -0.439487886 2.297663927 WTR 2 o* O -0.8200
+H11 6.377544165 -0.325584126 3.235032034 WTR 2 h* H 0.4100
+H12 6.719327974 0.183599997 1.901664090 WTR 2 h* H 0.4100
+end
+O1 2.932199907 7.712136000 2.235168028 WTR 3 o* O -0.8200
+H11 2.719512105 8.069832015 3.124511933 WTR 3 h* H 0.4100
+H12 3.350520015 6.869520092 2.583936095 WTR 3 h* H 0.4100
+end
+O1 3.985632133 5.410440016 1.812528062 WTR 4 o* O -0.8200
+H11 4.970664167 5.586623812 1.901016068 WTR 4 h* H 0.4100
+H12 4.033223963 4.442111921 2.060784101 WTR 4 h* H 0.4100
+end
+O1 1.344383991 1.367640030 5.875344086 WTR 5 o* O -0.8200
+H11 1.556711948 2.309399986 5.813136148 WTR 5 h* H 0.4100
+H12 0.630144024 1.341864002 6.548687983 WTR 5 h* H 0.4100
+end
+O1 0.732240003 0.728207999 3.522168088 WTR 6 o* O -0.8200
+H11 1.093391991 0.133343996 4.209912014 WTR 6 h* H 0.4100
+H12 0.568655992 1.451015961 4.075056124 WTR 6 h* H 0.4100
+end
+O1 2.891015983 7.045991850 4.660992193 WTR 7 o* O -0.8200
+H11 3.343967915 6.323039961 5.084495831 WTR 7 h* H 0.4100
+H12 2.646215916 7.412472005 5.564231873 WTR 7 h* H 0.4100
+end
+O1 2.803895903 6.645096016 7.140239954 WTR 8 o* O -0.8200
+H11 3.289896083 6.875423956 7.947576016 WTR 8 h* H 0.4100
+H12 3.050567937 5.710175800 7.255799999 WTR 8 h* H 0.4100
+end
+end
+Frame 3 Number of Picoseconds = 5.1500
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.711000019 0.492120016 0.990287983 WTR 1 o* O -0.8200
+H11 1.163016021 0.757511991 1.810152054 WTR 1 h* H 0.4100
+H12 1.601927984 0.311904001 0.531359982 WTR 1 h* H 0.4100
+end
+O1 6.059520006 -0.457199907 2.409191895 WTR 2 o* O -0.8200
+H11 6.539976168 -0.257111835 3.208751965 WTR 2 h* H 0.4100
+H12 6.548400021 0.181008004 1.913111973 WTR 2 h* H 0.4100
+end
+O1 2.851128101 7.634880012 2.226743960 WTR 3 o* O -0.8200
+H11 2.793240023 7.904520017 3.184920001 WTR 3 h* H 0.4100
+H12 3.311640000 6.811992073 2.550096059 WTR 3 h* H 0.4100
+end
+O1 4.017023849 5.447736025 1.724400008 WTR 4 o* O -0.8200
+H11 5.052887821 5.477760029 1.815192032 WTR 4 h* H 0.4100
+H12 3.806496191 4.653288031 2.253816032 WTR 4 h* H 0.4100
+end
+O1 1.276776016 1.276056004 5.882616091 WTR 5 o* O -0.8200
+H11 1.311047995 2.248991919 5.986656189 WTR 5 h* H 0.4100
+H12 0.596375978 1.036727965 6.544511890 WTR 5 h* H 0.4100
+end
+O1 0.691128016 0.825624007 3.500711918 WTR 6 o* O -0.8200
+H11 1.160279953 0.358919987 4.233024073 WTR 6 h* H 0.4100
+H12 0.559367985 1.739880002 3.949127913 WTR 6 h* H 0.4100
+end
+O1 2.977559924 7.081775951 4.662864161 WTR 7 o* O -0.8200
+H11 3.621240091 6.645456076 5.265287876 WTR 7 h* H 0.4100
+H12 2.522519946 7.478639996 5.415695858 WTR 7 h* H 0.4100
+end
+O1 2.913336039 6.708096170 7.108271885 WTR 8 o* O -0.8200
+H11 3.265271902 7.212384000 7.877304018 WTR 8 h* H 0.4100
+H12 3.154823899 5.800824165 7.440624002 WTR 8 h* H 0.4100
+end
+end
+Frame 4 Number of Picoseconds = 5.2000
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.697535974 0.356687987 0.997416008 WTR 1 o* O -0.8200
+H11 0.976391995 0.646128005 1.922616005 WTR 1 h* H 0.4100
+H12 1.554336047 0.379151997 0.479735988 WTR 1 h* H 0.4100
+end
+O1 6.184295940 6.597647953 2.557872105 WTR 2 o* O -0.8200
+H11 6.401808071 6.999696064 3.462264061 WTR 2 h* H 0.4100
+H12 6.941663790 7.051967812 2.105640078 WTR 2 h* H 0.4100
+end
+O1 2.925719905 7.809695989 2.124576044 WTR 3 o* O -0.8200
+H11 2.797992039 8.177183998 3.038328052 WTR 3 h* H 0.4100
+H12 3.282912040 6.958584023 2.517048025 WTR 3 h* H 0.4100
+end
+O1 4.028759909 5.573880100 1.824696064 WTR 4 o* O -0.8200
+H11 4.974191809 5.553863955 1.971648073 WTR 4 h* H 0.4100
+H12 3.791735888 4.679711866 2.177279949 WTR 4 h* H 0.4100
+end
+O1 1.227888036 1.316304052 5.946911860 WTR 5 o* O -0.8200
+H11 1.263024008 2.294928074 6.034680176 WTR 5 h* H 0.4100
+H12 0.600192010 1.193327987 6.723647833 WTR 5 h* H 0.4100
+end
+O1 0.782856023 0.856223989 3.495383978 WTR 6 o* O -0.8200
+H11 1.577015948 0.427895996 3.934583902 WTR 6 h* H 0.4100
+H12 0.643176019 1.503216040 4.174560070 WTR 6 h* H 0.4100
+end
+O1 2.846591949 7.148952198 4.558031845 WTR 7 o* O -0.8200
+H11 3.674304056 6.851015854 4.966343880 WTR 7 h* H 0.4100
+H12 2.399040055 7.245288000 5.449895954 WTR 7 h* H 0.4100
+end
+O1 2.800007987 6.561792183 6.998400021 WTR 8 o* O -0.8200
+H11 3.045600057 6.948719931 7.880471975 WTR 8 h* H 0.4100
+H12 3.147048068 5.659200096 7.170263958 WTR 8 h* H 0.4100
+end
+end
+Frame 5 Number of Picoseconds = 5.2500
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.677447999 0.454464000 1.051776016 WTR 1 o* O -0.8200
+H11 1.192463994 0.687528008 1.876032043 WTR 1 h* H 0.4100
+H12 1.436832011 0.371808001 0.441503996 WTR 1 h* H 0.4100
+end
+O1 6.311375999 6.377472067 2.554200053 WTR 2 o* O -0.8200
+H11 6.487559795 6.340536118 3.495959902 WTR 2 h* H 0.4100
+H12 7.071120071 6.984288168 2.246183968 WTR 2 h* H 0.4100
+end
+O1 2.910095930 7.808328009 2.146032000 WTR 3 o* O -0.8200
+H11 2.564928031 7.976808017 3.064392042 WTR 3 h* H 0.4100
+H12 3.358152080 6.987744141 2.495951915 WTR 3 h* H 0.4100
+end
+O1 3.981959867 5.584248018 1.721880019 WTR 4 o* O -0.8200
+H11 4.950287962 5.821992159 1.943856096 WTR 4 h* H 0.4100
+H12 4.066415977 4.644144058 1.999728012 WTR 4 h* H 0.4100
+end
+O1 1.139759982 1.205783951 5.937767887 WTR 5 o* O -0.8200
+H11 1.104983962 2.151792097 6.154271936 WTR 5 h* H 0.4100
+H12 0.647712010 0.816407990 6.680592155 WTR 5 h* H 0.4100
+end
+O1 0.784080023 0.831672013 3.501144075 WTR 6 o* O -0.8200
+H11 1.266048038 0.577151996 4.329144144 WTR 6 h* H 0.4100
+H12 0.142416005 1.515167964 3.979296112 WTR 6 h* H 0.4100
+end
+O1 2.891736102 7.193015957 4.560623932 WTR 7 o* O -0.8200
+H11 3.187727952 6.321167994 4.886351824 WTR 7 h* H 0.4100
+H12 2.786687922 7.633007991 5.464296198 WTR 7 h* H 0.4100
+end
+O1 2.824127913 6.804863834 7.023744106 WTR 8 o* O -0.8200
+H11 3.261815929 7.239672000 7.788599986 WTR 8 h* H 0.4100
+H12 3.116520023 5.889167976 7.259904000 WTR 8 h* H 0.4100
+end
+end
+Frame 6 Number of Picoseconds = 5.3000
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.630503976 0.418967995 0.970775986 WTR 1 o* O -0.8200
+H11 1.031544006 0.806184000 1.821887898 WTR 1 h* H 0.4100
+H12 1.453175998 0.299735999 0.453743988 WTR 1 h* H 0.4100
+end
+O1 6.394176006 6.197183847 2.432015991 WTR 2 o* O -0.8200
+H11 6.648479891 6.339671803 3.364272022 WTR 2 h* H 0.4100
+H12 7.104600048 6.844679832 2.257199907 WTR 2 h* H 0.4100
+end
+O1 2.814191937 7.854839981 2.191392016 WTR 3 o* O -0.8200
+H11 2.293992090 8.175168049 2.990375948 WTR 3 h* H 0.4100
+H12 3.366143990 7.193879843 2.763432097 WTR 3 h* H 0.4100
+end
+O1 3.949055815 5.635655880 1.773792028 WTR 4 o* O -0.8200
+H11 4.936967897 5.687280035 1.804176092 WTR 4 h* H 0.4100
+H12 3.832056141 4.710311794 2.078568006 WTR 4 h* H 0.4100
+end
+O1 1.225584018 1.349136007 5.889312172 WTR 5 o* O -0.8200
+H11 1.484784007 2.321855950 5.976575804 WTR 5 h* H 0.4100
+H12 0.578447986 1.216584027 6.641855907 WTR 5 h* H 0.4100
+end
+O1 0.668376017 0.703008002 3.512016034 WTR 6 o* O -0.8200
+H11 1.214784050 0.428472000 4.290335798 WTR 6 h* H 0.4100
+H12 0.152568005 1.261224031 4.095143938 WTR 6 h* H 0.4100
+end
+O1 2.910960031 7.140600014 4.607999897 WTR 7 o* O -0.8200
+H11 3.731039858 7.014095879 5.183928108 WTR 7 h* H 0.4100
+H12 2.376503921 7.324992000 5.400360060 WTR 7 h* H 0.4100
+end
+O1 2.919960022 6.901776123 7.096392059 WTR 8 o* O -0.8200
+H11 3.188807917 7.212960000 8.019000024 WTR 8 h* H 0.4100
+H12 3.372623992 6.052320099 7.339176004 WTR 8 h* H 0.4100
+end
+end
+Frame 7 Number of Picoseconds = 5.3500
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.681840008 0.581687987 1.026648009 WTR 1 o* O -0.8200
+H11 1.083456016 0.859463990 1.875455904 WTR 1 h* H 0.4100
+H12 1.559448016 0.402767989 0.594576001 WTR 1 h* H 0.4100
+end
+O1 6.323832178 6.073488092 2.298023987 WTR 2 o* O -0.8200
+H11 6.825743866 6.188615799 3.118967915 WTR 2 h* H 0.4100
+H12 6.738839865 6.851592207 1.866096067 WTR 2 h* H 0.4100
+end
+O1 2.858544087 7.935695976 2.211984086 WTR 3 o* O -0.8200
+H11 2.780351901 8.494919980 3.005999923 WTR 3 h* H 0.4100
+H12 3.192192006 7.088184071 2.615255928 WTR 3 h* H 0.4100
+end
+O1 3.902903795 5.665679884 1.852632022 WTR 4 o* O -0.8200
+H11 4.888943911 5.545152140 1.843919992 WTR 4 h* H 0.4100
+H12 3.620447874 4.914503860 2.399544096 WTR 4 h* H 0.4100
+end
+O1 1.187567997 1.361880040 5.822135925 WTR 5 o* O -0.8200
+H11 1.158335996 2.323151994 6.054335833 WTR 5 h* H 0.4100
+H12 0.511055982 1.029311979 6.455015802 WTR 5 h* H 0.4100
+end
+O1 0.714959979 0.448776001 3.522168088 WTR 6 o* O -0.8200
+H11 1.522439969 0.256248003 4.049639940 WTR 6 h* H 0.4100
+H12 0.399744013 1.145736051 4.144967794 WTR 6 h* H 0.4100
+end
+O1 2.987207937 7.256159998 4.631472015 WTR 7 o* O -0.8200
+H11 2.966543984 6.358464003 5.050224066 WTR 7 h* H 0.4100
+H12 2.724192023 7.739423990 5.513111973 WTR 7 h* H 0.4100
+end
+O1 2.876688051 6.898391819 7.138728046 WTR 8 o* O -0.8200
+H11 3.124296069 7.337015994 8.011223978 WTR 8 h* H 0.4100
+H12 3.341015983 6.027911997 7.402175997 WTR 8 h* H 0.4100
+end
+end
+Frame 8 Number of Picoseconds = 5.4000
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.689976007 0.674639994 1.046375978 WTR 1 o* O -0.8200
+H11 1.179288018 0.869040012 1.872935915 WTR 1 h* H 0.4100
+H12 1.548575950 0.456480002 0.554256016 WTR 1 h* H 0.4100
+end
+O1 6.380207920 6.160752153 2.233152080 WTR 2 o* O -0.8200
+H11 6.974784136 6.154847860 3.065976048 WTR 2 h* H 0.4100
+H12 6.788159895 6.939575958 1.794744051 WTR 2 h* H 0.4100
+end
+O1 2.898792028 7.919496024 2.252736068 WTR 3 o* O -0.8200
+H11 2.751984000 8.429760003 3.074615979 WTR 3 h* H 0.4100
+H12 3.222576070 7.096752119 2.715407896 WTR 3 h* H 0.4100
+end
+O1 3.914711952 5.619239902 1.807055926 WTR 4 o* O -0.8200
+H11 4.942224169 5.491295958 1.859687948 WTR 4 h* H 0.4100
+H12 3.487895894 4.802327871 2.186423922 WTR 4 h* H 0.4100
+end
+O1 1.031759977 1.262375987 5.822208023 WTR 5 o* O -0.8200
+H11 0.922895980 2.229624009 6.004151917 WTR 5 h* H 0.4100
+H12 0.580823994 0.948239958 6.654672146 WTR 5 h* H 0.4100
+end
+O1 0.724319977 0.401832005 3.522239971 WTR 6 o* O -0.8200
+H11 1.466999996 0.287999994 4.135752153 WTR 6 h* H 0.4100
+H12 0.175104006 1.018584001 4.138775969 WTR 6 h* H 0.4100
+end
+O1 2.921975970 0.058031999 4.665167856 WTR 7 o* O -0.8200
+H11 3.729743814 0.090144002 5.195159912 WTR 7 h* H 0.4100
+H12 2.418047905 0.066024003 5.525711918 WTR 7 h* H 0.4100
+end
+O1 2.955384064 6.917759943 7.141032171 WTR 8 o* O -0.8200
+H11 3.352391982 7.391015996 7.912007993 WTR 8 h* H 0.4100
+H12 3.155688000 6.010415840 7.528680012 WTR 8 h* H 0.4100
+end
+end
+Frame 9 Number of Picoseconds = 5.4500
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.714959979 0.603072006 0.968040025 WTR 1 o* O -0.8200
+H11 1.263095999 0.798479998 1.811159921 WTR 1 h* H 0.4100
+H12 1.463688004 0.558215976 0.338256007 WTR 1 h* H 0.4100
+end
+O1 6.405839968 6.118128204 2.183471990 WTR 2 o* O -0.8200
+H11 7.039727926 6.127848101 2.921256065 WTR 2 h* H 0.4100
+H12 6.661008167 6.993072081 1.694447994 WTR 2 h* H 0.4100
+end
+O1 2.848679996 0.697391993 2.247407913 WTR 3 o* O -0.8200
+H11 2.386943936 0.943488050 3.090312052 WTR 3 h* H 0.4100
+H12 3.420935941 0.032544000 2.770200062 WTR 3 h* H 0.4100
+end
+O1 3.934080076 5.640119934 1.875528002 WTR 4 o* O -0.8200
+H11 4.859424162 5.423112059 1.922255945 WTR 4 h* H 0.4100
+H12 3.545783973 4.852080059 2.276639915 WTR 4 h* H 0.4100
+end
+O1 1.146096003 1.373400021 5.833511925 WTR 5 o* O -0.8200
+H11 1.009799981 2.354903984 5.825519800 WTR 5 h* H 0.4100
+H12 0.428903997 1.158120024 6.510600185 WTR 5 h* H 0.4100
+end
+O1 0.727559978 0.398736012 3.565944099 WTR 6 o* O -0.8200
+H11 1.207295966 0.319319987 4.473647833 WTR 6 h* H 0.4100
+H12 0.138815998 1.068048012 3.947400141 WTR 6 h* H 0.4100
+end
+O1 2.980800033 7.318223995 4.698504066 WTR 7 o* O -0.8200
+H11 3.425616074 6.558336210 5.115167856 WTR 7 h* H 0.4100
+H12 2.681639957 7.747056001 5.574168062 WTR 7 h* H 0.4100
+end
+O1 2.820600057 6.892344189 7.157231855 WTR 8 o* O -0.8200
+H11 3.277007961 7.011792183 8.004456013 WTR 8 h* H 0.4100
+H12 2.911608052 5.904360008 7.315200005 WTR 8 h* H 0.4100
+end
+end
+Frame 10 Number of Picoseconds = 5.5000
+!DATE Mon Dec 1 18:52:12 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.653760016 0.606455988 1.053216040 WTR 1 o* O -0.8200
+H11 1.111391973 0.852191985 1.865375948 WTR 1 h* H 0.4100
+H12 1.394207954 0.389232007 0.421199995 WTR 1 h* H 0.4100
+end
+O1 6.470279932 6.136704111 2.291327906 WTR 2 o* O -0.8200
+H11 6.859583902 6.385319996 3.212784076 WTR 2 h* H 0.4100
+H12 7.078104115 6.759864092 1.934064102 WTR 2 h* H 0.4100
+end
+O1 2.845511985 7.839863974 2.225088072 WTR 3 o* O -0.8200
+H11 2.638007927 8.128439999 3.146112084 WTR 3 h* H 0.4100
+H12 3.292560053 7.034184122 2.520720077 WTR 3 h* H 0.4100
+end
+O1 4.074048042 5.694407845 1.742615962 WTR 4 o* O -0.8200
+H11 5.097455835 5.533776140 1.747728038 WTR 4 h* H 0.4100
+H12 3.815280104 4.814496088 2.163095999 WTR 4 h* H 0.4100
+end
+O1 1.124495959 1.296288013 5.887223911 WTR 5 o* O -0.8200
+H11 1.304711974 2.253239894 5.959152174 WTR 5 h* H 0.4100
+H12 0.454032004 1.074528015 6.563952112 WTR 5 h* H 0.4100
+end
+O1 0.697103977 0.596160007 3.525839925 WTR 6 o* O -0.8200
+H11 1.223784041 0.430272004 4.395599842 WTR 6 h* H 0.4100
+H12 0.172800002 1.388808024 3.964752102 WTR 6 h* H 0.4100
+end
+O1 2.882520032 7.233984001 4.647815895 WTR 7 o* O -0.8200
+H11 3.315168071 6.529679918 5.187456179 WTR 7 h* H 0.4100
+H12 2.643839908 7.701767975 5.504255962 WTR 7 h* H 0.4100
+end
+O1 2.782151985 6.822792149 7.132535791 WTR 8 o* O -0.8200
+H11 3.196944022 7.308216003 7.912584025 WTR 8 h* H 0.4100
+H12 2.898863912 5.900328112 7.471296000 WTR 8 h* H 0.4100
+end
+end
diff --git a/tools/lmp2arc/test/water8.car b/tools/lmp2arc/test/water8.car
new file mode 100644
index 0000000000..ceb7afd3b4
--- /dev/null
+++ b/tools/lmp2arc/test/water8.car
@@ -0,0 +1,39 @@
+!BIOSYM archive 3
+PBC=ON
+Water box from Eric Simon
+!DATE Fri Oct 24 16:37:49 1997
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 -1.872180000 7.165790000 0.418170000 WTR 1 o* O -0.820
+H11 -1.689520000 7.089730000 1.354690000 WTR 1 h* H 0.410
+H12 -1.895920000 8.108520000 0.254080000 WTR 1 h* H 0.410
+end
+O1 9.230430000 4.657060000 4.156260000 WTR 2 o* O -0.820
+H11 9.465440000 4.921460000 3.266830000 WTR 2 h* H 0.410
+H12 10.059570000 4.393230000 4.555190000 WTR 2 h* H 0.410
+end
+O1 1.214310000 4.380410000 0.134700000 WTR 3 o* O -0.820
+H11 1.244720000 5.289710000 0.432150000 WTR 3 h* H 0.410
+H12 1.722010000 3.897490000 0.786810000 WTR 3 h* H 0.410
+end
+O1 9.017600000 8.540120000 2.278390000 WTR 4 o* O -0.820
+H11 8.743110000 9.029940000 3.053600000 WTR 4 h* H 0.410
+H12 8.492560000 7.740110000 2.301640000 WTR 4 h* H 0.410
+end
+O1 7.534550000 6.982930000 -0.678410000 WTR 5 o* O -0.820
+H11 7.696430000 6.754540000 -1.593760000 WTR 5 h* H 0.410
+H12 6.605560000 7.211690000 -0.648830000 WTR 5 h* H 0.410
+end
+O1 11.381660000 7.514670000 4.106050000 WTR 6 o* O -0.820
+H11 10.830010000 7.598050000 3.328260000 WTR 6 h* H 0.410
+H12 10.771400000 7.298260000 4.811020000 WTR 6 h* H 0.410
+end
+O1 -1.981430000 8.779190000 6.557090000 WTR 7 o* O -0.820
+H11 -1.575590000 8.982500000 7.399820000 WTR 7 h* H 0.410
+H12 -2.552830000 8.033270000 6.739640000 WTR 7 h* H 0.410
+end
+O1 5.393330000 10.403880000 5.782890000 WTR 8 o* O -0.820
+H11 5.694370000 9.503500000 5.905020000 WTR 8 h* H 0.410
+H12 6.018620000 10.784410000 5.166110000 WTR 8 h* H 0.410
+end
+end
+
diff --git a/tools/lmp2arc/test/water8.pos b/tools/lmp2arc/test/water8.pos
new file mode 100644
index 0000000000..639eb6961e
--- /dev/null
+++ b/tools/lmp2arc/test/water8.pos
@@ -0,0 +1,303 @@
+ ITEM: NUMBER OF ATOMS
+ 24
+ ITEM: BOX BOUNDS
+ 0.E+0, 7.2000000000000002
+ 0.E+0, 7.2000000000000002
+ 0.E+0, 7.2000000000000002
+ ITEM: TIMESTEP
+ 10000
+ ITEM: ATOMS
+ 24 2 0.38912 0.80204 0.04125 0 0 1
+ 23 2 0.44443 0.97490 0.10586 0 0 1
+ 22 1 0.39545 0.92669 0.98694 0 0 0
+ 21 2 0.37573 0.03926 0.75822 0 1 0
+ 20 2 0.39496 0.85650 0.72425 0 0 0
+ 19 1 0.38210 0.96279 0.64193 0 0 0
+ 18 2 0.02666 0.20907 0.56769 1 0 0
+ 17 2 0.16830 0.06709 0.59983 1 0 0
+ 16 1 0.08960 0.11180 0.49650 1 0 0
+ 15 2 0.10789 0.21301 0.92288 0 0 0
+ 14 2 0.24939 0.32700 0.80911 0 0 0
+ 13 1 0.20235 0.19951 0.81891 0 0 0
+ 12 2 0.53321 0.64824 0.31770 0 0 0
+ 11 2 0.70021 0.76272 0.23808 0 0 0
+ 10 1 0.56179 0.76532 0.24532 0 0 0
+ 9 2 0.42969 0.97042 0.39011 0 0 0
+ 8 2 0.32315 0.13340 0.41763 0 1 0
+ 7 1 0.38574 0.07550 0.31033 0 1 0
+ 6 2 0.95281 0.98408 0.26305 0 -1 0
+ 5 2 0.96793 0.88950 0.44411 0 -1 0
+ 4 1 0.88582 0.88256 0.32684 0 -1 0
+ 3 2 0.20770 0.05294 0.06393 0 0 0
+ 2 2 0.15575 0.12577 0.25027 0 0 0
+ 1 1 0.08934 0.10802 0.13052 0 0 0
+ ITEM: TIMESTEP
+ 10100
+ ITEM: ATOMS
+ 24 2 0.39323 0.79766 0.03146 0 0 1
+ 23 2 0.45209 0.98330 0.10586 0 0 1
+ 22 1 0.38636 0.93416 0.99370 0 0 0
+ 21 2 0.36389 0.02848 0.76595 0 1 0
+ 20 2 0.47341 0.87741 0.69598 0 0 0
+ 19 1 0.37898 0.96711 0.64527 0 0 0
+ 18 2 0.06018 0.20335 0.58002 1 0 0
+ 17 2 0.19993 0.06658 0.57574 1 0 0
+ 16 1 0.09896 0.10630 0.49372 1 0 0
+ 15 2 0.07947 0.21271 0.91284 0 0 0
+ 14 2 0.22120 0.32394 0.81936 0 0 0
+ 13 1 0.17318 0.19391 0.81481 0 0 0
+ 12 2 0.55758 0.62224 0.24239 0 0 0
+ 11 2 0.68631 0.78326 0.24502 0 0 0
+ 10 1 0.55836 0.75419 0.24007 0 0 0
+ 9 2 0.46108 0.94736 0.37410 0 0 0
+ 8 2 0.39003 0.11586 0.44051 0 1 0
+ 7 1 0.41135 0.06008 0.31662 0 1 0
+ 6 2 0.95927 0.01322 0.27797 0 0 0
+ 5 2 0.91379 0.90354 0.43787 0 -1 0
+ 4 1 0.86509 0.91751 0.31671 0 -1 0
+ 3 2 0.20766 0.06898 0.06354 0 0 0
+ 2 2 0.17517 0.13064 0.25597 0 0 0
+ 1 1 0.10937 0.09752 0.14204 0 0 0
+ ITEM: TIMESTEP
+ 10200
+ ITEM: ATOMS
+ 24 2 0.42369 0.79308 0.00775 0 0 1
+ 23 2 0.45693 0.95492 0.10383 0 0 1
+ 22 1 0.38943 0.92293 0.99170 0 0 0
+ 21 2 0.36753 0.02951 0.77281 0 1 0
+ 20 2 0.46444 0.87820 0.70618 0 0 0
+ 19 1 0.40153 0.97861 0.64736 0 0 0
+ 18 2 0.07898 0.20153 0.56598 1 0 0
+ 17 2 0.15186 0.01852 0.58471 1 0 0
+ 16 1 0.10170 0.10114 0.48919 1 0 0
+ 15 2 0.08752 0.18637 0.90954 0 0 0
+ 14 2 0.21621 0.32075 0.80738 0 0 0
+ 13 1 0.18672 0.18995 0.81602 0 0 0
+ 12 2 0.56017 0.61696 0.28622 0 0 0
+ 11 2 0.69037 0.77592 0.26403 0 0 0
+ 10 1 0.55356 0.75145 0.25174 0 0 0
+ 9 2 0.46535 0.95410 0.35888 0 0 0
+ 8 2 0.37771 0.12081 0.43396 0 1 0
+ 7 1 0.40725 0.07113 0.31044 0 1 0
+ 6 2 0.93324 0.02550 0.26412 0 0 0
+ 5 2 0.88577 0.95478 0.44931 0 -1 0
+ 4 1 0.84040 0.93896 0.31912 0 -1 0
+ 3 2 0.20253 0.05041 0.04741 0 0 0
+ 2 2 0.18549 0.11650 0.24641 0 0 0
+ 1 1 0.10399 0.08168 0.13836 0 0 0
+ ITEM: TIMESTEP
+ 10300
+ ITEM: ATOMS
+ 24 2 0.43817 0.80567 0.03342 0 0 1
+ 23 2 0.45351 0.00172 0.09407 0 1 1
+ 22 1 0.40463 0.93168 0.98726 0 0 0
+ 21 2 0.35035 0.03870 0.75218 0 1 0
+ 20 2 0.50295 0.92298 0.73129 0 0 0
+ 19 1 0.41355 0.98358 0.64762 0 0 0
+ 18 2 0.07769 0.24165 0.54849 1 0 0
+ 17 2 0.16115 0.04985 0.58792 1 0 0
+ 16 1 0.09599 0.11467 0.48621 1 0 0
+ 15 2 0.08283 0.14399 0.90896 0 0 0
+ 14 2 0.18209 0.31236 0.83148 0 0 0
+ 13 1 0.17733 0.17723 0.81703 0 0 0
+ 12 2 0.52868 0.64629 0.31303 0 0 0
+ 11 2 0.70179 0.76080 0.25211 0 0 0
+ 10 1 0.55792 0.75663 0.23950 0 0 0
+ 9 2 0.45995 0.94611 0.35418 0 0 0
+ 8 2 0.38795 0.09785 0.44235 0 1 0
+ 7 1 0.39599 0.06040 0.30927 0 1 0
+ 6 2 0.90950 0.02514 0.26571 0 0 0
+ 5 2 0.90833 0.96429 0.44566 0 -1 0
+ 4 1 0.84160 0.93650 0.33461 0 -1 0
+ 3 2 0.22249 0.04332 0.07380 0 0 0
+ 2 2 0.16153 0.10521 0.25141 0 0 0
+ 1 1 0.09875 0.06835 0.13754 0 0 0
+ ITEM: TIMESTEP
+ 10400
+ ITEM: ATOMS
+ 24 2 0.43709 0.78600 0.99587 0 0 0
+ 23 2 0.42300 0.96510 0.09451 0 0 1
+ 22 1 0.38889 0.91136 0.97200 0 0 0
+ 21 2 0.33320 0.00629 0.75693 0 1 0
+ 20 2 0.51032 0.95153 0.68977 0 0 0
+ 19 1 0.39536 0.99291 0.63306 0 0 0
+ 18 2 0.08933 0.20878 0.57980 1 0 0
+ 17 2 0.21903 0.05943 0.54647 1 0 0
+ 16 1 0.10873 0.11892 0.48547 1 0 0
+ 15 2 0.08336 0.16574 0.93384 0 0 0
+ 14 2 0.17542 0.31874 0.83815 0 0 0
+ 13 1 0.17054 0.18282 0.82596 0 0 0
+ 12 2 0.52663 0.64996 0.30240 0 0 0
+ 11 2 0.69086 0.77137 0.27384 0 0 0
+ 10 1 0.55955 0.77415 0.25343 0 0 0
+ 9 2 0.45596 0.96647 0.34959 0 0 0
+ 8 2 0.38861 0.13572 0.42199 0 1 0
+ 7 1 0.40635 0.08468 0.29508 0 1 0
+ 6 2 0.96412 0.97944 0.29245 0 -1 0
+ 5 2 0.88914 0.97218 0.48087 0 -1 0
+ 4 1 0.85893 0.91634 0.35526 0 -1 0
+ 3 2 0.21588 0.05266 0.06663 0 0 0
+ 2 2 0.13561 0.08974 0.26703 0 0 0
+ 1 1 0.09688 0.04954 0.13853 0 0 0
+ ITEM: TIMESTEP
+ 10500
+ ITEM: ATOMS
+ 24 2 0.43285 0.81794 0.00832 0 0 1
+ 23 2 0.45303 0.00551 0.08175 0 1 1
+ 22 1 0.39224 0.94512 0.97552 0 0 0
+ 21 2 0.38704 0.06014 0.75893 0 1 0
+ 20 2 0.44274 0.87794 0.67866 0 0 0
+ 19 1 0.40163 0.99903 0.63342 0 0 0
+ 18 2 0.01978 0.21044 0.55268 1 0 0
+ 17 2 0.17584 0.08016 0.60127 1 0 0
+ 16 1 0.10890 0.11551 0.48627 1 0 0
+ 15 2 0.08996 0.11339 0.92786 0 0 0
+ 14 2 0.15347 0.29886 0.85476 0 0 0
+ 13 1 0.15830 0.16747 0.82469 0 0 0
+ 12 2 0.56478 0.64502 0.27774 0 0 0
+ 11 2 0.68754 0.80861 0.26998 0 0 0
+ 10 1 0.55305 0.77559 0.23915 0 0 0
+ 9 2 0.46641 0.97052 0.34666 0 0 0
+ 8 2 0.35624 0.10789 0.42561 0 1 0
+ 7 1 0.40418 0.08449 0.29806 0 1 0
+ 6 2 0.98210 0.97004 0.31197 0 -1 0
+ 5 2 0.90105 0.88063 0.48555 0 -1 0
+ 4 1 0.87658 0.88576 0.35475 0 -1 0
+ 3 2 0.19956 0.05164 0.06132 0 0 0
+ 2 2 0.16562 0.09549 0.26056 0 0 0
+ 1 1 0.09409 0.06312 0.14608 0 0 0
+ ITEM: TIMESTEP
+ 10600
+ ITEM: ATOMS
+ 24 2 0.46842 0.84060 0.01933 0 0 1
+ 23 2 0.44289 0.00180 0.11375 0 1 1
+ 22 1 0.40555 0.95858 0.98561 0 0 0
+ 21 2 0.33007 0.01736 0.75005 0 1 0
+ 20 2 0.51820 0.97418 0.71999 0 0 0
+ 19 1 0.40430 0.99175 0.64000 0 0 0
+ 18 2 0.02119 0.17517 0.56877 1 0 0
+ 17 2 0.16872 0.05951 0.59588 1 0 0
+ 16 1 0.09283 0.09764 0.48778 1 0 0
+ 15 2 0.08034 0.16897 0.92248 0 0 0
+ 14 2 0.20622 0.32248 0.83008 0 0 0
+ 13 1 0.17022 0.18738 0.81796 0 0 0
+ 12 2 0.53223 0.65421 0.28869 0 0 0
+ 11 2 0.68569 0.78990 0.25058 0 0 0
+ 10 1 0.54848 0.78273 0.24636 0 0 0
+ 9 2 0.46752 0.99915 0.38381 0 0 0
+ 8 2 0.31861 0.13544 0.41533 0 1 0
+ 7 1 0.39086 0.09095 0.30436 0 1 0
+ 6 2 0.98675 0.95065 0.31350 0 -1 0
+ 5 2 0.92340 0.88051 0.46726 0 -1 0
+ 4 1 0.88808 0.86072 0.33778 0 -1 0
+ 3 2 0.20183 0.04163 0.06302 0 0 0
+ 2 2 0.14327 0.11197 0.25304 0 0 0
+ 1 1 0.08757 0.05819 0.13483 0 0 0
+ ITEM: TIMESTEP
+ 10700
+ ITEM: ATOMS
+ 24 2 0.46403 0.83721 0.02808 0 0 1
+ 23 2 0.43393 0.01903 0.11267 0 1 1
+ 22 1 0.39954 0.95811 0.99149 0 0 0
+ 21 2 0.37836 0.07492 0.76571 0 1 0
+ 20 2 0.41202 0.88312 0.70142 0 0 0
+ 19 1 0.41489 0.00780 0.64326 0 1 0
+ 18 2 0.05552 0.15913 0.57569 1 0 0
+ 17 2 0.21145 0.03559 0.56245 1 0 0
+ 16 1 0.09930 0.06233 0.48919 1 0 0
+ 15 2 0.07098 0.14296 0.89653 0 0 0
+ 14 2 0.16088 0.32266 0.84088 0 0 0
+ 13 1 0.16494 0.18915 0.80863 0 0 0
+ 12 2 0.50284 0.68257 0.33327 0 0 0
+ 11 2 0.67902 0.77016 0.25610 0 0 0
+ 10 1 0.54207 0.78690 0.25731 0 0 0
+ 9 2 0.44336 0.98447 0.36323 0 0 0
+ 8 2 0.38616 0.17985 0.41750 0 1 0
+ 7 1 0.39702 0.10218 0.30722 0 1 0
+ 6 2 0.93595 0.95161 0.25918 0 -1 0
+ 5 2 0.94802 0.85953 0.43319 0 -1 0
+ 4 1 0.87831 0.84354 0.31917 0 -1 0
+ 3 2 0.21659 0.05594 0.08258 0 0 0
+ 2 2 0.15048 0.11937 0.26048 0 0 0
+ 1 1 0.09470 0.08079 0.14259 0 0 0
+ ITEM: TIMESTEP
+ 10800
+ ITEM: ATOMS
+ 24 2 0.43829 0.83478 0.04565 0 0 1
+ 23 2 0.46561 0.02653 0.09889 0 1 1
+ 22 1 0.41047 0.96080 0.99181 0 0 0
+ 21 2 0.33584 0.00917 0.76746 0 1 0
+ 20 2 0.51802 0.01252 0.72155 0 1 0
+ 19 1 0.40583 0.00806 0.64794 0 1 0
+ 18 2 0.02432 0.14147 0.57483 1 0 0
+ 17 2 0.20375 0.04000 0.57441 1 0 0
+ 16 1 0.10060 0.05581 0.48920 1 0 0
+ 15 2 0.08067 0.13170 0.92426 0 0 0
+ 14 2 0.12818 0.30967 0.83391 0 0 0
+ 13 1 0.14330 0.17533 0.80864 0 0 0
+ 12 2 0.48443 0.66699 0.30367 0 0 0
+ 11 2 0.68642 0.76268 0.25829 0 0 0
+ 10 1 0.54371 0.78045 0.25098 0 0 0
+ 9 2 0.44758 0.98566 0.37714 0 0 0
+ 8 2 0.38222 0.17080 0.42703 0 1 0
+ 7 1 0.40261 0.09993 0.31288 0 1 0
+ 6 2 0.94280 0.96383 0.24927 0 -1 0
+ 5 2 0.96872 0.85484 0.42583 0 -1 0
+ 4 1 0.88614 0.85566 0.31016 0 -1 0
+ 3 2 0.21508 0.06340 0.07698 0 0 0
+ 2 2 0.16379 0.12070 0.26013 0 0 0
+ 1 1 0.09583 0.09370 0.14533 0 0 0
+ ITEM: TIMESTEP
+ 10900
+ ITEM: ATOMS
+ 24 2 0.40439 0.82005 0.01600 0 0 1
+ 23 2 0.45514 0.97386 0.11173 0 0 1
+ 22 1 0.39175 0.95727 0.99406 0 0 0
+ 21 2 0.37245 0.07598 0.77419 0 1 0
+ 20 2 0.47578 0.91088 0.71044 0 0 0
+ 19 1 0.41400 0.01642 0.65257 0 1 0
+ 18 2 0.01928 0.14834 0.54825 1 0 0
+ 17 2 0.16768 0.04435 0.62134 1 0 0
+ 16 1 0.10105 0.05538 0.49527 1 0 0
+ 15 2 0.05957 0.16085 0.90425 0 0 0
+ 14 2 0.14025 0.32707 0.80910 0 0 0
+ 13 1 0.15918 0.19075 0.81021 0 0 0
+ 12 2 0.49247 0.67390 0.31620 0 0 0
+ 11 2 0.67492 0.75321 0.26698 0 0 0
+ 10 1 0.54640 0.78335 0.26049 0 0 0
+ 9 2 0.47513 0.00452 0.38475 0 1 0
+ 8 2 0.33152 0.13104 0.42921 0 1 0
+ 7 1 0.39565 0.09686 0.31214 0 1 0
+ 6 2 0.92514 0.97126 0.23534 0 -1 0
+ 5 2 0.97774 0.85109 0.40573 0 -1 0
+ 4 1 0.88970 0.84974 0.30326 0 -1 0
+ 3 2 0.20329 0.07753 0.04698 0 0 0
+ 2 2 0.17543 0.11090 0.25155 0 0 0
+ 1 1 0.09930 0.08376 0.13445 0 0 0
+ ITEM: TIMESTEP
+ 11000
+ ITEM: ATOMS
+ 24 2 0.40262 0.81949 0.03768 0 0 1
+ 23 2 0.44402 0.01503 0.09897 0 1 1
+ 22 1 0.38641 0.94761 0.99063 0 0 0
+ 21 2 0.36720 0.06969 0.76448 0 1 0
+ 20 2 0.46044 0.90690 0.72048 0 0 0
+ 19 1 0.40035 0.00472 0.64553 0 1 0
+ 18 2 0.02400 0.19289 0.55066 1 0 0
+ 17 2 0.16997 0.05976 0.61050 1 0 0
+ 16 1 0.09682 0.08280 0.48970 1 0 0
+ 15 2 0.06306 0.14924 0.91166 0 0 0
+ 14 2 0.18121 0.31295 0.82766 0 0 0
+ 13 1 0.15618 0.18004 0.81767 0 0 0
+ 12 2 0.52990 0.66868 0.30043 0 0 0
+ 11 2 0.70798 0.76858 0.24274 0 0 0
+ 10 1 0.56584 0.79089 0.24203 0 0 0
+ 9 2 0.45730 0.97697 0.35010 0 0 0
+ 8 2 0.36639 0.12895 0.43696 0 1 0
+ 7 1 0.39521 0.08887 0.30904 0 1 0
+ 6 2 0.98307 0.93887 0.26862 0 -1 0
+ 5 2 0.95272 0.88685 0.44622 0 -1 0
+ 4 1 0.89865 0.85232 0.31824 0 -1 0
+ 3 2 0.19364 0.05406 0.05850 0 0 0
+ 2 2 0.15436 0.11836 0.25908 0 0 0
+ 1 1 0.09080 0.08423 0.14628 0 0 0
diff --git a/tools/lmp2arc/test/water8_unwrap.arc b/tools/lmp2arc/test/water8_unwrap.arc
new file mode 100644
index 0000000000..10c2ca5c01
--- /dev/null
+++ b/tools/lmp2arc/test/water8_unwrap.arc
@@ -0,0 +1,398 @@
+!BIOSYM archive 3
+PBC=ON
+Frame 0 Number of Picoseconds = 5.0000
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.643248010 0.777744001 0.939744008 WTR 1 o* O -0.8200
+H11 1.121400046 0.905544019 1.801944065 WTR 1 h* H 0.4100
+H12 1.495439994 0.381167999 0.460295981 WTR 1 h* H 0.4100
+end
+O1 6.377903795 6.354432106 2.353248096 WTR 2 o* O -0.8200
+H11 6.969096136 6.404400158 3.197592044 WTR 2 h* H 0.4100
+H12 6.860231924 7.085376120 1.893959928 WTR 2 h* H 0.4100
+end
+O1 2.777328086 0.543599975 2.234376025 WTR 3 o* O -0.8200
+H11 2.326680064 0.960479951 3.006935906 WTR 3 h* H 0.4100
+H12 3.093768024 -0.212975979 2.808791900 WTR 3 h* H 0.4100
+end
+O1 4.044887924 5.510304022 1.766304052 WTR 4 o* O -0.8200
+H11 5.041511822 5.491583920 1.714175963 WTR 4 h* H 0.4100
+H12 3.839111853 4.667327785 2.287439990 WTR 4 h* H 0.4100
+end
+O1 1.456920040 1.436471951 5.896152020 WTR 5 o* O -0.8200
+H11 1.795608044 2.354399943 5.825591898 WTR 5 h* H 0.4100
+H12 0.776808017 1.533671987 6.644735956 WTR 5 h* H 0.4100
+end
+O1 0.645119977 0.804960001 3.574799895 WTR 6 o* O -0.8200
+H11 1.211760020 0.483047980 4.318775797 WTR 6 h* H 0.4100
+H12 0.191952007 1.505303979 4.087368107 WTR 6 h* H 0.4100
+end
+O1 2.751119900 6.932088089 4.621895885 WTR 7 o* O -0.8200
+H11 2.843711901 6.166800213 5.214600134 WTR 7 h* H 0.4100
+H12 2.705256057 7.482672000 5.459184122 WTR 7 h* H 0.4100
+end
+O1 2.847239971 6.672167873 -0.094031811 WTR 8 o* O -0.8200
+H11 3.199895954 7.019280052 0.762192017 WTR 8 h* H 0.4100
+H12 2.801664090 5.774687862 0.297000012 WTR 8 h* H 0.4100
+end
+end
+Frame 1 Number of Picoseconds = 5.0500
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.787464005 0.702144009 1.022687995 WTR 1 o* O -0.8200
+H11 1.261224031 0.940608001 1.842984009 WTR 1 h* H 0.4100
+H12 1.495152032 0.496656007 0.457487977 WTR 1 h* H 0.4100
+end
+O1 6.228648090 6.606071806 2.280311966 WTR 2 o* O -0.8200
+H11 6.579287910 6.505488110 3.152663970 WTR 2 h* H 0.4100
+H12 6.906744003 7.295184001 2.001383901 WTR 2 h* H 0.4100
+end
+O1 2.961720085 0.432575995 2.279663944 WTR 3 o* O -0.8200
+H11 2.808215976 0.834192002 3.171672034 WTR 3 h* H 0.4100
+H12 3.319776106 -0.379008150 2.693519998 WTR 3 h* H 0.4100
+end
+O1 4.020191860 5.430168200 1.728504002 WTR 4 o* O -0.8200
+H11 4.941431952 5.639471912 1.764144015 WTR 4 h* H 0.4100
+H12 4.014575958 4.480128050 1.745208049 WTR 4 h* H 0.4100
+end
+O1 1.246895993 1.396152020 5.866631842 WTR 5 o* O -0.8200
+H11 1.592640030 2.332368064 5.899392128 WTR 5 h* H 0.4100
+H12 0.572184008 1.531511950 6.572448063 WTR 5 h* H 0.4100
+end
+O1 0.712511981 0.765359974 3.554783964 WTR 6 o* O -0.8200
+H11 1.439495981 0.479375982 4.145327854 WTR 6 h* H 0.4100
+H12 0.433296007 1.464119947 4.176144075 WTR 6 h* H 0.4100
+end
+O1 2.728656077 6.963191843 4.645943928 WTR 7 o* O -0.8200
+H11 3.408552074 6.317351961 5.011056089 WTR 7 h* H 0.4100
+H12 2.620007944 7.405056006 5.514840174 WTR 7 h* H 0.4100
+end
+O1 2.781791925 6.725951958 -0.045359802 WTR 8 o* O -0.8200
+H11 3.255047965 7.079759789 0.762192017 WTR 8 h* H 0.4100
+H12 2.831255937 5.743151951 0.226511988 WTR 8 h* H 0.4100
+end
+end
+Frame 2 Number of Picoseconds = 5.1000
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.748728025 0.588095999 0.996191955 WTR 1 o* O -0.8200
+H11 1.335527980 0.838799983 1.774151981 WTR 1 h* H 0.4100
+H12 1.458215976 0.362951991 0.341352001 WTR 1 h* H 0.4100
+end
+O1 6.050879860 6.760512114 2.297663927 WTR 2 o* O -0.8200
+H11 6.377544165 6.874415874 3.235032034 WTR 2 h* H 0.4100
+H12 6.719327974 7.383599997 1.901664090 WTR 2 h* H 0.4100
+end
+O1 2.932199907 0.512136000 2.235168028 WTR 3 o* O -0.8200
+H11 2.719512105 0.869832015 3.124511933 WTR 3 h* H 0.4100
+H12 3.350520015 -0.330479908 2.583936095 WTR 3 h* H 0.4100
+end
+O1 3.985632133 5.410440016 1.812528062 WTR 4 o* O -0.8200
+H11 4.970664167 5.586623812 1.901016068 WTR 4 h* H 0.4100
+H12 4.033223963 4.442111921 2.060784101 WTR 4 h* H 0.4100
+end
+O1 1.344383991 1.367640030 5.875344086 WTR 5 o* O -0.8200
+H11 1.556711948 2.309399986 5.813136148 WTR 5 h* H 0.4100
+H12 0.630144024 1.341864002 6.548687983 WTR 5 h* H 0.4100
+end
+O1 0.732240003 0.728207999 3.522168088 WTR 6 o* O -0.8200
+H11 1.093391991 0.133343996 4.209912014 WTR 6 h* H 0.4100
+H12 0.568655992 1.451015961 4.075056124 WTR 6 h* H 0.4100
+end
+O1 2.891015983 7.045991850 4.660992193 WTR 7 o* O -0.8200
+H11 3.343967915 6.323039961 5.084495831 WTR 7 h* H 0.4100
+H12 2.646215916 7.412472005 5.564231873 WTR 7 h* H 0.4100
+end
+O1 2.803895903 6.645096016 -0.059760046 WTR 8 o* O -0.8200
+H11 3.289896083 6.875423956 0.747576016 WTR 8 h* H 0.4100
+H12 3.050567937 5.710175800 0.055799999 WTR 8 h* H 0.4100
+end
+end
+Frame 3 Number of Picoseconds = 5.1500
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.711000019 0.492120016 0.990287983 WTR 1 o* O -0.8200
+H11 1.163016021 0.757511991 1.810152054 WTR 1 h* H 0.4100
+H12 1.601927984 0.311904001 0.531359982 WTR 1 h* H 0.4100
+end
+O1 6.059520006 6.742800093 2.409191895 WTR 2 o* O -0.8200
+H11 6.539976168 6.942888165 3.208751965 WTR 2 h* H 0.4100
+H12 6.548400021 7.381008004 1.913111973 WTR 2 h* H 0.4100
+end
+O1 2.851128101 0.434880012 2.226743960 WTR 3 o* O -0.8200
+H11 2.793240023 0.704520017 3.184920001 WTR 3 h* H 0.4100
+H12 3.311640000 -0.388007927 2.550096059 WTR 3 h* H 0.4100
+end
+O1 4.017023849 5.447736025 1.724400008 WTR 4 o* O -0.8200
+H11 5.052887821 5.477760029 1.815192032 WTR 4 h* H 0.4100
+H12 3.806496191 4.653288031 2.253816032 WTR 4 h* H 0.4100
+end
+O1 1.276776016 1.276056004 5.882616091 WTR 5 o* O -0.8200
+H11 1.311047995 2.248991919 5.986656189 WTR 5 h* H 0.4100
+H12 0.596375978 1.036727965 6.544511890 WTR 5 h* H 0.4100
+end
+O1 0.691128016 0.825624007 3.500711918 WTR 6 o* O -0.8200
+H11 1.160279953 0.358919987 4.233024073 WTR 6 h* H 0.4100
+H12 0.559367985 1.739880002 3.949127913 WTR 6 h* H 0.4100
+end
+O1 2.977559924 7.081775951 4.662864161 WTR 7 o* O -0.8200
+H11 3.621240091 6.645456076 5.265287876 WTR 7 h* H 0.4100
+H12 2.522519946 7.478639996 5.415695858 WTR 7 h* H 0.4100
+end
+O1 2.913336039 6.708096170 -0.091728115 WTR 8 o* O -0.8200
+H11 3.265271902 7.212384000 0.677304018 WTR 8 h* H 0.4100
+H12 3.154823899 5.800824165 0.240624002 WTR 8 h* H 0.4100
+end
+end
+Frame 4 Number of Picoseconds = 5.2000
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.697535974 0.356687987 0.997416008 WTR 1 o* O -0.8200
+H11 0.976391995 0.646128005 1.922616005 WTR 1 h* H 0.4100
+H12 1.554336047 0.379151997 0.479735988 WTR 1 h* H 0.4100
+end
+O1 6.184295940 6.597647953 2.557872105 WTR 2 o* O -0.8200
+H11 6.401808071 6.999696064 3.462264061 WTR 2 h* H 0.4100
+H12 6.941663790 7.051967812 2.105640078 WTR 2 h* H 0.4100
+end
+O1 2.925719905 0.609695989 2.124576044 WTR 3 o* O -0.8200
+H11 2.797992039 0.977183998 3.038328052 WTR 3 h* H 0.4100
+H12 3.282912040 -0.241415977 2.517048025 WTR 3 h* H 0.4100
+end
+O1 4.028759909 5.573880100 1.824696064 WTR 4 o* O -0.8200
+H11 4.974191809 5.553863955 1.971648073 WTR 4 h* H 0.4100
+H12 3.791735888 4.679711866 2.177279949 WTR 4 h* H 0.4100
+end
+O1 1.227888036 1.316304052 5.946911860 WTR 5 o* O -0.8200
+H11 1.263024008 2.294928074 6.034680176 WTR 5 h* H 0.4100
+H12 0.600192010 1.193327987 6.723647833 WTR 5 h* H 0.4100
+end
+O1 0.782856023 0.856223989 3.495383978 WTR 6 o* O -0.8200
+H11 1.577015948 0.427895996 3.934583902 WTR 6 h* H 0.4100
+H12 0.643176019 1.503216040 4.174560070 WTR 6 h* H 0.4100
+end
+O1 2.846591949 7.148952198 4.558031845 WTR 7 o* O -0.8200
+H11 3.674304056 6.851015854 4.966343880 WTR 7 h* H 0.4100
+H12 2.399040055 7.245288000 5.449895954 WTR 7 h* H 0.4100
+end
+O1 2.800007987 6.561792183 6.998400021 WTR 8 o* O -0.8200
+H11 3.045600057 6.948719931 7.880471975 WTR 8 h* H 0.4100
+H12 3.147048068 5.659200096 7.170263958 WTR 8 h* H 0.4100
+end
+end
+Frame 5 Number of Picoseconds = 5.2500
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.677447999 0.454464000 1.051776016 WTR 1 o* O -0.8200
+H11 1.192463994 0.687528008 1.876032043 WTR 1 h* H 0.4100
+H12 1.436832011 0.371808001 0.441503996 WTR 1 h* H 0.4100
+end
+O1 6.311375999 6.377472067 2.554200053 WTR 2 o* O -0.8200
+H11 6.487559795 6.340536118 3.495959902 WTR 2 h* H 0.4100
+H12 7.071120071 6.984288168 2.246183968 WTR 2 h* H 0.4100
+end
+O1 2.910095930 0.608328009 2.146032000 WTR 3 o* O -0.8200
+H11 2.564928031 0.776808017 3.064392042 WTR 3 h* H 0.4100
+H12 3.358152080 -0.212255859 2.495951915 WTR 3 h* H 0.4100
+end
+O1 3.981959867 5.584248018 1.721880019 WTR 4 o* O -0.8200
+H11 4.950287962 5.821992159 1.943856096 WTR 4 h* H 0.4100
+H12 4.066415977 4.644144058 1.999728012 WTR 4 h* H 0.4100
+end
+O1 1.139759982 1.205783951 5.937767887 WTR 5 o* O -0.8200
+H11 1.104983962 2.151792097 6.154271936 WTR 5 h* H 0.4100
+H12 0.647712010 0.816407990 6.680592155 WTR 5 h* H 0.4100
+end
+O1 0.784080023 0.831672013 3.501144075 WTR 6 o* O -0.8200
+H11 1.266048038 0.577151996 4.329144144 WTR 6 h* H 0.4100
+H12 0.142416005 1.515167964 3.979296112 WTR 6 h* H 0.4100
+end
+O1 2.891736102 7.193015957 4.560623932 WTR 7 o* O -0.8200
+H11 3.187727952 6.321167994 4.886351824 WTR 7 h* H 0.4100
+H12 2.786687922 7.633007991 5.464296198 WTR 7 h* H 0.4100
+end
+O1 2.824127913 6.804863834 -0.176255894 WTR 8 o* O -0.8200
+H11 3.261815929 7.239672000 0.588599986 WTR 8 h* H 0.4100
+H12 3.116520023 5.889167976 0.059904000 WTR 8 h* H 0.4100
+end
+end
+Frame 6 Number of Picoseconds = 5.3000
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.630503976 0.418967995 0.970775986 WTR 1 o* O -0.8200
+H11 1.031544006 0.806184000 1.821887898 WTR 1 h* H 0.4100
+H12 1.453175998 0.299735999 0.453743988 WTR 1 h* H 0.4100
+end
+O1 6.394176006 6.197183847 2.432015991 WTR 2 o* O -0.8200
+H11 6.648479891 6.339671803 3.364272022 WTR 2 h* H 0.4100
+H12 7.104600048 6.844679832 2.257199907 WTR 2 h* H 0.4100
+end
+O1 2.814191937 0.654839981 2.191392016 WTR 3 o* O -0.8200
+H11 2.293992090 0.975168049 2.990375948 WTR 3 h* H 0.4100
+H12 3.366143990 -0.006120157 2.763432097 WTR 3 h* H 0.4100
+end
+O1 3.949055815 5.635655880 1.773792028 WTR 4 o* O -0.8200
+H11 4.936967897 5.687280035 1.804176092 WTR 4 h* H 0.4100
+H12 3.832056141 4.710311794 2.078568006 WTR 4 h* H 0.4100
+end
+O1 1.225584018 1.349136007 5.889312172 WTR 5 o* O -0.8200
+H11 1.484784007 2.321855950 5.976575804 WTR 5 h* H 0.4100
+H12 0.578447986 1.216584027 6.641855907 WTR 5 h* H 0.4100
+end
+O1 0.668376017 0.703008002 3.512016034 WTR 6 o* O -0.8200
+H11 1.214784050 0.428472000 4.290335798 WTR 6 h* H 0.4100
+H12 0.152568005 1.261224031 4.095143938 WTR 6 h* H 0.4100
+end
+O1 2.910960031 7.140600014 4.607999897 WTR 7 o* O -0.8200
+H11 3.731039858 7.014095879 5.183928108 WTR 7 h* H 0.4100
+H12 2.376503921 7.324992000 5.400360060 WTR 7 h* H 0.4100
+end
+O1 2.919960022 6.901776123 -0.103607941 WTR 8 o* O -0.8200
+H11 3.188807917 7.212960000 0.819000024 WTR 8 h* H 0.4100
+H12 3.372623992 6.052320099 0.139176004 WTR 8 h* H 0.4100
+end
+end
+Frame 7 Number of Picoseconds = 5.3500
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.681840008 0.581687987 1.026648009 WTR 1 o* O -0.8200
+H11 1.083456016 0.859463990 1.875455904 WTR 1 h* H 0.4100
+H12 1.559448016 0.402767989 0.594576001 WTR 1 h* H 0.4100
+end
+O1 6.323832178 6.073488092 2.298023987 WTR 2 o* O -0.8200
+H11 6.825743866 6.188615799 3.118967915 WTR 2 h* H 0.4100
+H12 6.738839865 6.851592207 1.866096067 WTR 2 h* H 0.4100
+end
+O1 2.858544087 0.735695976 2.211984086 WTR 3 o* O -0.8200
+H11 2.780351901 1.294919980 3.005999923 WTR 3 h* H 0.4100
+H12 3.192192006 -0.111815929 2.615255928 WTR 3 h* H 0.4100
+end
+O1 3.902903795 5.665679884 1.852632022 WTR 4 o* O -0.8200
+H11 4.888943911 5.545152140 1.843919992 WTR 4 h* H 0.4100
+H12 3.620447874 4.914503860 2.399544096 WTR 4 h* H 0.4100
+end
+O1 1.187567997 1.361880040 5.822135925 WTR 5 o* O -0.8200
+H11 1.158335996 2.323151994 6.054335833 WTR 5 h* H 0.4100
+H12 0.511055982 1.029311979 6.455015802 WTR 5 h* H 0.4100
+end
+O1 0.714959979 0.448776001 3.522168088 WTR 6 o* O -0.8200
+H11 1.522439969 0.256248003 4.049639940 WTR 6 h* H 0.4100
+H12 0.399744013 1.145736051 4.144967794 WTR 6 h* H 0.4100
+end
+O1 2.987207937 0.056159998 4.631472015 WTR 7 o* O -0.8200
+H11 2.966543984 -0.841535997 5.050224066 WTR 7 h* H 0.4100
+H12 2.724192023 0.539423990 5.513111973 WTR 7 h* H 0.4100
+end
+O1 2.876688051 6.898391819 -0.061271954 WTR 8 o* O -0.8200
+H11 3.124296069 7.337015994 0.811223978 WTR 8 h* H 0.4100
+H12 3.341015983 6.027911997 0.202175997 WTR 8 h* H 0.4100
+end
+end
+Frame 8 Number of Picoseconds = 5.4000
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.689976007 0.674639994 1.046375978 WTR 1 o* O -0.8200
+H11 1.179288018 0.869040012 1.872935915 WTR 1 h* H 0.4100
+H12 1.548575950 0.456480002 0.554256016 WTR 1 h* H 0.4100
+end
+O1 6.380207920 6.160752153 2.233152080 WTR 2 o* O -0.8200
+H11 6.974784136 6.154847860 3.065976048 WTR 2 h* H 0.4100
+H12 6.788159895 6.939575958 1.794744051 WTR 2 h* H 0.4100
+end
+O1 2.898792028 0.719496024 2.252736068 WTR 3 o* O -0.8200
+H11 2.751984000 1.229760003 3.074615979 WTR 3 h* H 0.4100
+H12 3.222576070 -0.103247881 2.715407896 WTR 3 h* H 0.4100
+end
+O1 3.914711952 5.619239902 1.807055926 WTR 4 o* O -0.8200
+H11 4.942224169 5.491295958 1.859687948 WTR 4 h* H 0.4100
+H12 3.487895894 4.802327871 2.186423922 WTR 4 h* H 0.4100
+end
+O1 1.031759977 1.262375987 5.822208023 WTR 5 o* O -0.8200
+H11 0.922895980 2.229624009 6.004151917 WTR 5 h* H 0.4100
+H12 0.580823994 0.948239958 6.654672146 WTR 5 h* H 0.4100
+end
+O1 0.724319977 0.401832005 3.522239971 WTR 6 o* O -0.8200
+H11 1.466999996 0.287999994 4.135752153 WTR 6 h* H 0.4100
+H12 0.175104006 1.018584001 4.138775969 WTR 6 h* H 0.4100
+end
+O1 2.921975970 0.058031999 4.665167856 WTR 7 o* O -0.8200
+H11 3.729743814 0.090144002 5.195159912 WTR 7 h* H 0.4100
+H12 2.418047905 0.066024003 5.525711918 WTR 7 h* H 0.4100
+end
+O1 2.955384064 6.917759943 -0.058967829 WTR 8 o* O -0.8200
+H11 3.352391982 7.391015996 0.712007993 WTR 8 h* H 0.4100
+H12 3.155688000 6.010415840 0.328680012 WTR 8 h* H 0.4100
+end
+end
+Frame 9 Number of Picoseconds = 5.4500
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.714959979 0.603072006 0.968040025 WTR 1 o* O -0.8200
+H11 1.263095999 0.798479998 1.811159921 WTR 1 h* H 0.4100
+H12 1.463688004 0.558215976 0.338256007 WTR 1 h* H 0.4100
+end
+O1 6.405839968 6.118128204 2.183471990 WTR 2 o* O -0.8200
+H11 7.039727926 6.127848101 2.921256065 WTR 2 h* H 0.4100
+H12 6.661008167 6.993072081 1.694447994 WTR 2 h* H 0.4100
+end
+O1 2.848679996 0.697391993 2.247407913 WTR 3 o* O -0.8200
+H11 2.386943936 0.943488050 3.090312052 WTR 3 h* H 0.4100
+H12 3.420935941 0.032544000 2.770200062 WTR 3 h* H 0.4100
+end
+O1 3.934080076 5.640119934 1.875528002 WTR 4 o* O -0.8200
+H11 4.859424162 5.423112059 1.922255945 WTR 4 h* H 0.4100
+H12 3.545783973 4.852080059 2.276639915 WTR 4 h* H 0.4100
+end
+O1 1.146096003 1.373400021 5.833511925 WTR 5 o* O -0.8200
+H11 1.009799981 2.354903984 5.825519800 WTR 5 h* H 0.4100
+H12 0.428903997 1.158120024 6.510600185 WTR 5 h* H 0.4100
+end
+O1 0.727559978 0.398736012 3.565944099 WTR 6 o* O -0.8200
+H11 1.207295966 0.319319987 4.473647833 WTR 6 h* H 0.4100
+H12 0.138815998 1.068048012 3.947400141 WTR 6 h* H 0.4100
+end
+O1 2.980800033 0.118223995 4.698504066 WTR 7 o* O -0.8200
+H11 3.425616074 -0.641663790 5.115167856 WTR 7 h* H 0.4100
+H12 2.681639957 0.547056001 5.574168062 WTR 7 h* H 0.4100
+end
+O1 2.820600057 6.892344189 -0.042768145 WTR 8 o* O -0.8200
+H11 3.277007961 7.011792183 0.804456013 WTR 8 h* H 0.4100
+H12 2.911608052 5.904360008 0.115200005 WTR 8 h* H 0.4100
+end
+end
+Frame 10 Number of Picoseconds = 5.5000
+!DATE Mon Dec 1 18:10:28 2003
+PBC 7.2000 7.2000 7.2000 90.0000 90.0000 90.0000 (P1)
+O1 0.653760016 0.606455988 1.053216040 WTR 1 o* O -0.8200
+H11 1.111391973 0.852191985 1.865375948 WTR 1 h* H 0.4100
+H12 1.394207954 0.389232007 0.421199995 WTR 1 h* H 0.4100
+end
+O1 6.470279932 6.136704111 2.291327906 WTR 2 o* O -0.8200
+H11 6.859583902 6.385319996 3.212784076 WTR 2 h* H 0.4100
+H12 7.078104115 6.759864092 1.934064102 WTR 2 h* H 0.4100
+end
+O1 2.845511985 0.639863974 2.225088072 WTR 3 o* O -0.8200
+H11 2.638007927 0.928439999 3.146112084 WTR 3 h* H 0.4100
+H12 3.292560053 -0.165815878 2.520720077 WTR 3 h* H 0.4100
+end
+O1 4.074048042 5.694407845 1.742615962 WTR 4 o* O -0.8200
+H11 5.097455835 5.533776140 1.747728038 WTR 4 h* H 0.4100
+H12 3.815280104 4.814496088 2.163095999 WTR 4 h* H 0.4100
+end
+O1 1.124495959 1.296288013 5.887223911 WTR 5 o* O -0.8200
+H11 1.304711974 2.253239894 5.959152174 WTR 5 h* H 0.4100
+H12 0.454032004 1.074528015 6.563952112 WTR 5 h* H 0.4100
+end
+O1 0.697103977 0.596160007 3.525839925 WTR 6 o* O -0.8200
+H11 1.223784041 0.430272004 4.395599842 WTR 6 h* H 0.4100
+H12 0.172800002 1.388808024 3.964752102 WTR 6 h* H 0.4100
+end
+O1 2.882520032 0.033984001 4.647815895 WTR 7 o* O -0.8200
+H11 3.315168071 -0.670320082 5.187456179 WTR 7 h* H 0.4100
+H12 2.643839908 0.501767975 5.504255962 WTR 7 h* H 0.4100
+end
+O1 2.782151985 6.822792149 -0.067464209 WTR 8 o* O -0.8200
+H11 3.196944022 7.308216003 0.712584025 WTR 8 h* H 0.4100
+H12 2.898863912 5.900328112 0.271296000 WTR 8 h* H 0.4100
+end
+end
diff --git a/tools/lmp2cfg/README.txt b/tools/lmp2cfg/README.txt
new file mode 100755
index 0000000000..cada1be986
--- /dev/null
+++ b/tools/lmp2cfg/README.txt
@@ -0,0 +1,66 @@
+README.txt
+
+lmp2cfg
+
+Version 1.0
+Ara Kooser
+8/1/04
+
+Contents
+I. Before you start
+II. Introduction
+III. Compiling the program
+IV. Running the program
+
+
+I. Before you start
+
+1) Read the READMEFIRST file
+2) You will need either f77 or g77 compiler
+3) A text editor (VI or emacs)
+4) AtomEye( http://164.107.79.177/Archive/Graphics/A/) good as of 8/1/04
+5) A sense of adventure and humor
+
+
+II. Introduction
+
+The lmp2cfg program converts a LAMMPS atom dump file into a series of .cfg
+files.(000001.cfg, 000002.cfg,...). These files can be read into AtomEye
+and made into a movie or viewed indivdually.
+
+
+III. Compiling the program
+
+The program should comply with either command f77 lmp2cfg.f or
+g77 lmp2cfg.f
+
+IV. Running the program
+
+You need to create a user input file. In the examples folder you will find
+an example input script, LAMMPS dump file, and the correct .cfg output.
+The input script reads like this:
+
+7 #number of atom types in your LAMMPS file
+'dump.atom' #name of the LAMMPS dump file, you need the ' '
+1 #first frame
+10 #last frame
+1 #first atom type
+26.98154 #atomic weight
+'ao' #atom name
+2 #second atom type
+15.9994 #atomic weight
+'oh' #atom name
+
+
+Make sure the input file and the atom dump file are in the same folder.
+On the command line type
+
+lmp2cfg < input_file.txt > out
+
+You should get several .cfg files. For reading into AtomEye and making
+movies see the AtomEye homepage.
+
+
+
+
+
diff --git a/tools/lmp2cfg/examples/00001.cfg b/tools/lmp2cfg/examples/00001.cfg
new file mode 100644
index 0000000000..568c794cdb
--- /dev/null
+++ b/tools/lmp2cfg/examples/00001.cfg
@@ -0,0 +1,2939 @@
+Number of particles = 2898
+#
+
+A = 1.5 Angstrom
+#
+
+H0 (1,1) = 26.05200 A
+H0 (1,2) = 0 A
+H0 (1,3) = 0 A
+#
+
+H0 (2,1) = 0 A
+H0 (2,2) = 20.31200 A
+H0 (2,3) = 0 A
+#
+
+H0 (3,1) = 0 A
+H0 (3,2) = 0 A
+H0 (3,3) = 48.36270 A
+#
+
+eta(1,1) = 0
+eta(1,2) = 0
+eta(1,3) = 0
+eta(2,2) = 0
+eta(2,3) = 0
+eta(3,3) = 0
+#
+
+#
+#
+#
+
+#
+#
+#
+#
+
+#
+#
+#
+027 ao 0.069474 0.138748 0.758945 0 0 0
+027 ao 0.014923 0.129134 0.958809 0 0 0
+016 oh 0.065544 0.049309 0.736631 0 0 0
+016 oh 0.011496 0.043877 0.938154 0 0 0
+016 oh 0.004118 0.167269 0.739141 0 0 0
+016 oh 0.953916 0.159951 0.939737 0 0 0
+016 oh 0.113656 0.176060 0.736358 0 0 0
+016 oh 0.058993 0.173345 0.935437 0 0 0
+016 oh 0.118942 0.092438 0.780086 0 0 0
+016 oh 0.068183 0.079017 0.982122 0 0 0
+016 oh 0.014450 0.091879 0.782923 0 0 0
+016 oh 0.957848 0.091380 0.987175 0 0 0
+016 oh 0.065347 0.214619 0.783818 0 0 0
+016 oh 0.015699 0.203008 0.983691 0 0 0
+027 ao 0.120946 0.012896 0.758201 0 0 0
+027 ao 0.065242 0.999257 0.958369 0 0 0
+001 ho 0.023876 0.044356 0.736242 0 0 0
+001 ho 0.972822 0.048209 0.931852 0 0 0
+001 ho 0.988656 0.213642 0.735204 0 0 0
+001 ho 0.938462 0.208028 0.941581 0 0 0
+027 ao 0.954735 0.124434 0.764204 0 0 0
+027 ao 0.231123 0.121962 0.959198 0 0 0
+001 ho 0.125125 0.183139 0.716501 0 0 0
+001 ho 0.070782 0.172006 0.914860 0 0 0
+001 ho 0.152954 0.119756 0.780062 0 0 0
+001 ho 0.066909 0.077828 0.003041 0 0 0
+001 ho 0.020191 0.040712 0.783166 0 0 0
+001 ho 0.960086 0.047011 0.995741 0 0 0
+001 ho 0.062973 0.210910 0.805350 0 0 0
+001 ho 0.978048 0.213279 0.989016 0 0 0
+016 oh 0.174447 0.035670 0.732301 0 0 0
+016 oh 0.119507 0.028077 0.935079 0 0 0
+016 oh 0.172092 0.221307 0.782499 0 0 0
+016 oh 0.116215 0.216860 0.983536 0 0 0
+016 oh 0.227168 0.164250 0.738278 0 0 0
+016 oh 0.174556 0.164140 0.939145 0 0 0
+016 oh 0.960539 0.041747 0.737553 0 0 0
+016 oh 0.227930 0.049429 0.937413 0 0 0
+016 oh 0.279278 0.197481 0.781591 0 0 0
+016 oh 0.223787 0.198179 0.984444 0 0 0
+016 oh 0.238273 0.077981 0.782890 0 0 0
+016 oh 0.169636 0.074547 0.979939 0 0 0
+001 ho 0.180321 0.031431 0.711741 0 0 0
+001 ho 0.118357 0.042774 0.914402 0 0 0
+027 ao 0.230851 0.244937 0.761345 0 0 0
+027 ao 0.178614 0.243662 0.960307 0 0 0
+001 ho 0.174796 0.213091 0.803970 0 0 0
+001 ho 0.107278 0.172535 0.992480 0 0 0
+001 ho 0.201707 0.127037 0.735581 0 0 0
+001 ho 0.144807 0.129983 0.939349 0 0 0
+001 ho 0.956913 0.039118 0.716612 0 0 0
+001 ho 0.234987 0.049393 0.916141 0 0 0
+001 ho 0.989209 0.223030 0.785821 0 0 0
+001 ho 0.237678 0.222480 0.001565 0 0 0
+001 ho 0.227135 0.078947 0.803737 0 0 0
+001 ho 0.132260 0.084419 0.979917 0 0 0
+027 ao 0.149759 0.004877 0.660094 0 0 0
+027 ao 0.096933 0.005936 0.861127 0 0 0
+016 oh 0.140577 0.181994 0.683623 0 0 0
+016 oh 0.095702 0.170267 0.882885 0 0 0
+016 oh 0.211947 0.039069 0.681229 0 0 0
+016 oh 0.155739 0.039017 0.883282 0 0 0
+016 oh 0.102118 0.057282 0.681856 0 0 0
+016 oh 0.038549 0.045431 0.882569 0 0 0
+016 oh 0.098805 0.216802 0.637956 0 0 0
+016 oh 0.042073 0.217318 0.836251 0 0 0
+016 oh 0.204426 0.217063 0.635789 0 0 0
+016 oh 0.148175 0.210746 0.839373 0 0 0
+016 oh 0.146702 0.082525 0.636130 0 0 0
+016 oh 0.096223 0.086575 0.839541 0 0 0
+027 ao 0.092978 0.132424 0.661624 0 0 0
+027 ao 0.039636 0.132854 0.861562 0 0 0
+001 ho 0.174225 0.171465 0.693813 0 0 0
+001 ho 0.136592 0.164647 0.883617 0 0 0
+001 ho 0.221695 0.086883 0.684126 0 0 0
+001 ho 0.172185 0.083247 0.887977 0 0 0
+027 ao 0.259660 0.244113 0.661266 0 0 0
+027 ao 0.202525 0.246454 0.859276 0 0 0
+001 ho 0.087399 0.052334 0.702318 0 0 0
+001 ho 0.029705 0.032316 0.903078 0 0 0
+001 ho 0.085809 0.221430 0.618822 0 0 0
+001 ho 0.008496 0.242862 0.838523 0 0 0
+001 ho 0.201428 0.168461 0.630042 0 0 0
+001 ho 0.134780 0.164941 0.838609 0 0 0
+001 ho 0.151842 0.092071 0.615833 0 0 0
+001 ho 0.098840 0.096349 0.817997 0 0 0
+016 oh 0.036096 0.160767 0.684507 0 0 0
+016 oh 0.985409 0.166116 0.882524 0 0 0
+016 oh 0.042532 0.095456 0.637317 0 0 0
+016 oh 0.984894 0.094794 0.836846 0 0 0
+016 oh 0.975838 0.048211 0.680052 0 0 0
+016 oh 0.256832 0.040639 0.882211 0 0 0
+016 oh 0.258914 0.164100 0.682502 0 0 0
+016 oh 0.203803 0.157562 0.884035 0 0 0
+016 oh 0.267223 0.078864 0.635450 0 0 0
+016 oh 0.208003 0.077598 0.838069 0 0 0
+016 oh 0.979685 0.212589 0.638680 0 0 0
+016 oh 0.252547 0.201489 0.838603 0 0 0
+001 ho 0.027737 0.166305 0.705861 0 0 0
+001 ho 0.974909 0.162621 0.903243 0 0 0
+027 ao 0.979358 0.128325 0.660386 0 0 0
+027 ao 0.263588 0.119106 0.861070 0 0 0
+001 ho 0.048301 0.102087 0.616642 0 0 0
+001 ho 0.998090 0.095688 0.816958 0 0 0
+001 ho 0.005039 0.013525 0.680709 0 0 0
+001 ho 0.962517 0.016011 0.883792 0 0 0
+001 ho 0.252426 0.172702 0.702580 0 0 0
+001 ho 0.199650 0.172751 0.903624 0 0 0
+001 ho 0.260415 0.079107 0.614489 0 0 0
+001 ho 0.171268 0.097067 0.841197 0 0 0
+001 ho 0.990471 0.230177 0.618614 0 0 0
+001 ho 0.253784 0.200991 0.817424 0 0 0
+027 ao 0.064259 0.384813 0.759005 0 0 0
+027 ao 0.009508 0.377876 0.958336 0 0 0
+016 oh 0.069900 0.300040 0.738526 0 0 0
+016 oh 0.014358 0.301182 0.933545 0 0 0
+016 oh 0.007277 0.415018 0.736559 0 0 0
+016 oh 0.948967 0.411296 0.938172 0 0 0
+016 oh 0.118117 0.423999 0.739652 0 0 0
+016 oh 0.051833 0.429198 0.935667 0 0 0
+016 oh 0.118830 0.343245 0.782168 0 0 0
+016 oh 0.068938 0.339228 0.978298 0 0 0
+016 oh 0.014058 0.336065 0.781176 0 0 0
+016 oh 0.956898 0.334093 0.980222 0 0 0
+016 oh 0.065295 0.462145 0.783799 0 0 0
+016 oh 0.011867 0.447527 0.984847 0 0 0
+027 ao 0.121544 0.263630 0.760857 0 0 0
+027 ao 0.066454 0.256470 0.956968 0 0 0
+001 ho 0.040614 0.278159 0.728132 0 0 0
+001 ho 0.977056 0.301966 0.926969 0 0 0
+001 ho 0.994995 0.460419 0.731867 0 0 0
+001 ho 0.931284 0.456505 0.940494 0 0 0
+027 ao 0.951120 0.364412 0.760079 0 0 0
+027 ao 0.225405 0.371151 0.959040 0 0 0
+001 ho 0.123821 0.425340 0.718870 0 0 0
+001 ho 0.056175 0.424013 0.914159 0 0 0
+001 ho 0.149625 0.373120 0.777808 0 0 0
+001 ho 0.089139 0.380902 0.984517 0 0 0
+001 ho 0.034118 0.292629 0.782082 0 0 0
+001 ho 0.960442 0.297312 0.995395 0 0 0
+001 ho 0.060054 0.462945 0.805421 0 0 0
+001 ho 0.014150 0.481749 0.000123 0 0 0
+016 oh 0.180263 0.282575 0.736016 0 0 0
+016 oh 0.123773 0.283431 0.937331 0 0 0
+016 oh 0.173682 0.467784 0.783959 0 0 0
+016 oh 0.118662 0.465930 0.982490 0 0 0
+016 oh 0.233735 0.416889 0.738398 0 0 0
+016 oh 0.173549 0.407035 0.935300 0 0 0
+016 oh 0.951246 0.288378 0.736095 0 0 0
+016 oh 0.228083 0.294369 0.933379 0 0 0
+016 oh 0.287770 0.447160 0.783611 0 0 0
+016 oh 0.225614 0.450502 0.979366 0 0 0
+016 oh 0.238794 0.328173 0.782595 0 0 0
+016 oh 0.182090 0.323923 0.983159 0 0 0
+001 ho 0.186738 0.281406 0.715189 0 0 0
+001 ho 0.128926 0.280798 0.917150 0 0 0
+027 ao 0.234261 0.495269 0.760009 0 0 0
+027 ao 0.179193 0.507441 0.959355 0 0 0
+001 ho 0.163360 0.459096 0.804637 0 0 0
+001 ho 0.134085 0.459324 0.002111 0 0 0
+001 ho 0.206665 0.381512 0.738439 0 0 0
+001 ho 0.144239 0.373736 0.934294 0 0 0
+001 ho 0.963653 0.301070 0.715888 0 0 0
+001 ho 0.230886 0.299366 0.911930 0 0 0
+001 ho 0.988842 0.454861 0.792604 0 0 0
+001 ho 0.247376 0.441055 0.996194 0 0 0
+001 ho 0.221234 0.329873 0.801580 0 0 0
+001 ho 0.154903 0.330738 0.998568 0 0 0
+027 ao 0.146910 0.264474 0.661931 0 0 0
+027 ao 0.095618 0.265119 0.857908 0 0 0
+016 oh 0.145626 0.428848 0.681184 0 0 0
+016 oh 0.084023 0.427511 0.883478 0 0 0
+016 oh 0.207431 0.286811 0.679636 0 0 0
+016 oh 0.153420 0.288988 0.881441 0 0 0
+016 oh 0.101693 0.311058 0.684344 0 0 0
+016 oh 0.048323 0.302648 0.879238 0 0 0
+016 oh 0.092806 0.471593 0.636233 0 0 0
+016 oh 0.035234 0.463900 0.838970 0 0 0
+016 oh 0.203381 0.469097 0.632028 0 0 0
+016 oh 0.147719 0.456132 0.838056 0 0 0
+016 oh 0.144794 0.338567 0.637437 0 0 0
+016 oh 0.099141 0.342244 0.835253 0 0 0
+027 ao 0.094326 0.384978 0.659697 0 0 0
+027 ao 0.036152 0.386839 0.861065 0 0 0
+001 ho 0.184427 0.434019 0.684399 0 0 0
+001 ho 0.116024 0.433138 0.895964 0 0 0
+001 ho 0.211004 0.335740 0.682691 0 0 0
+001 ho 0.159089 0.340875 0.883360 0 0 0
+027 ao 0.255059 0.502528 0.654544 0 0 0
+027 ao 0.205536 0.497802 0.858971 0 0 0
+001 ho 0.090842 0.317350 0.703929 0 0 0
+001 ho 0.040897 0.298771 0.900025 0 0 0
+001 ho 0.054288 0.480156 0.630605 0 0 0
+001 ho 0.002502 0.493656 0.842128 0 0 0
+001 ho 0.227090 0.469184 0.615270 0 0 0
+001 ho 0.130701 0.409730 0.837395 0 0 0
+001 ho 0.182037 0.351178 0.631112 0 0 0
+001 ho 0.098683 0.337035 0.814097 0 0 0
+016 oh 0.038721 0.414470 0.682517 0 0 0
+016 oh 0.978971 0.408189 0.884951 0 0 0
+016 oh 0.038488 0.346108 0.638037 0 0 0
+016 oh 0.987561 0.335796 0.838348 0 0 0
+016 oh 0.984471 0.298354 0.683879 0 0 0
+016 oh 0.260195 0.285197 0.881512 0 0 0
+016 oh 0.257370 0.421275 0.679473 0 0 0
+016 oh 0.208588 0.416695 0.885475 0 0 0
+016 oh 0.263949 0.325081 0.634137 0 0 0
+016 oh 0.210387 0.326789 0.837222 0 0 0
+016 oh 0.972596 0.456782 0.636346 0 0 0
+016 oh 0.253881 0.450221 0.837786 0 0 0
+001 ho 0.035602 0.432300 0.702307 0 0 0
+001 ho 0.970453 0.407035 0.905795 0 0 0
+027 ao 0.982211 0.382064 0.660852 0 0 0
+027 ao 0.263504 0.371776 0.861403 0 0 0
+001 ho 0.043152 0.296095 0.633992 0 0 0
+001 ho 0.002213 0.335220 0.817666 0 0 0
+001 ho 0.019651 0.277409 0.680046 0 0 0
+001 ho 0.953087 0.248261 0.880134 0 0 0
+001 ho 0.260759 0.417200 0.700654 0 0 0
+001 ho 0.197544 0.413667 0.906071 0 0 0
+001 ho 0.246743 0.329882 0.615000 0 0 0
+001 ho 0.172229 0.331445 0.833005 0 0 0
+001 ho 0.977725 0.467060 0.615615 0 0 0
+001 ho 0.252123 0.453130 0.817053 0 0 0
+027 ao 0.065408 0.630465 0.764076 0 0 0
+027 ao 0.015314 0.627571 0.960432 0 0 0
+016 oh 0.067239 0.543530 0.739638 0 0 0
+016 oh 0.014541 0.551993 0.938069 0 0 0
+016 oh 0.000221 0.661565 0.737268 0 0 0
+016 oh 0.955864 0.659279 0.935118 0 0 0
+016 oh 0.105869 0.673003 0.739015 0 0 0
+016 oh 0.063613 0.679136 0.938169 0 0 0
+016 oh 0.124966 0.587324 0.782413 0 0 0
+016 oh 0.068195 0.587962 0.982570 0 0 0
+016 oh 0.012982 0.590824 0.785616 0 0 0
+016 oh 0.959189 0.592277 0.982889 0 0 0
+016 oh 0.063500 0.715473 0.783522 0 0 0
+016 oh 0.009696 0.708467 0.983099 0 0 0
+027 ao 0.120888 0.504530 0.760877 0 0 0
+027 ao 0.072371 0.499122 0.958468 0 0 0
+001 ho 0.031338 0.526665 0.733459 0 0 0
+001 ho 0.976714 0.543098 0.930978 0 0 0
+001 ho 0.997125 0.711118 0.739719 0 0 0
+001 ho 0.943989 0.707097 0.932186 0 0 0
+027 ao 0.950975 0.618018 0.757386 0 0 0
+027 ao 0.234464 0.629875 0.958709 0 0 0
+001 ho 0.122192 0.672201 0.719020 0 0 0
+001 ho 0.077105 0.689830 0.918210 0 0 0
+001 ho 0.159710 0.565289 0.789339 0 0 0
+001 ho 0.075411 0.629652 0.993896 0 0 0
+001 ho 0.010222 0.540090 0.788411 0 0 0
+001 ho 0.966570 0.571315 0.001635 0 0 0
+001 ho 0.052244 0.706679 0.802921 0 0 0
+001 ho 0.970762 0.715797 0.982802 0 0 0
+016 oh 0.181315 0.531747 0.735579 0 0 0
+016 oh 0.125766 0.531174 0.937327 0 0 0
+016 oh 0.167718 0.711624 0.781893 0 0 0
+016 oh 0.115104 0.718635 0.984188 0 0 0
+016 oh 0.232644 0.656381 0.740574 0 0 0
+016 oh 0.173895 0.667106 0.935862 0 0 0
+016 oh 0.954699 0.534058 0.737568 0 0 0
+016 oh 0.231757 0.544056 0.935963 0 0 0
+016 oh 0.280594 0.703415 0.785453 0 0 0
+016 oh 0.223321 0.705872 0.982867 0 0 0
+016 oh 0.238819 0.573593 0.785605 0 0 0
+016 oh 0.179184 0.582491 0.982468 0 0 0
+001 ho 0.186393 0.529944 0.714133 0 0 0
+001 ho 0.119837 0.535869 0.915969 0 0 0
+027 ao 0.227506 0.740969 0.760204 0 0 0
+027 ao 0.172163 0.741924 0.958282 0 0 0
+001 ho 0.165764 0.659876 0.784471 0 0 0
+001 ho 0.129071 0.730827 0.003362 0 0 0
+001 ho 0.208079 0.618063 0.739897 0 0 0
+001 ho 0.144991 0.633939 0.933043 0 0 0
+001 ho 0.964882 0.541067 0.716452 0 0 0
+001 ho 0.239765 0.537213 0.915223 0 0 0
+001 ho 0.982288 0.718430 0.783090 0 0 0
+001 ho 0.220843 0.713894 0.003515 0 0 0
+001 ho 0.231324 0.573617 0.807429 0 0 0
+001 ho 0.151711 0.619409 0.988347 0 0 0
+027 ao 0.141575 0.515569 0.658374 0 0 0
+027 ao 0.091732 0.507068 0.859265 0 0 0
+016 oh 0.140950 0.690298 0.685823 0 0 0
+016 oh 0.092048 0.682478 0.882071 0 0 0
+016 oh 0.206689 0.540215 0.679178 0 0 0
+016 oh 0.150053 0.534832 0.880424 0 0 0
+016 oh 0.096037 0.559519 0.681391 0 0 0
+016 oh 0.048504 0.559398 0.882778 0 0 0
+016 oh 0.098713 0.718527 0.639244 0 0 0
+016 oh 0.038898 0.710664 0.837459 0 0 0
+016 oh 0.203613 0.719897 0.636327 0 0 0
+016 oh 0.146807 0.713384 0.837090 0 0 0
+016 oh 0.148167 0.597567 0.639717 0 0 0
+016 oh 0.087659 0.584452 0.836424 0 0 0
+027 ao 0.092741 0.643092 0.661049 0 0 0
+027 ao 0.035909 0.632407 0.858129 0 0 0
+001 ho 0.175032 0.669933 0.693089 0 0 0
+001 ho 0.128964 0.665468 0.879754 0 0 0
+001 ho 0.227183 0.582871 0.683778 0 0 0
+001 ho 0.166952 0.581598 0.882069 0 0 0
+027 ao 0.266989 0.746426 0.658318 0 0 0
+027 ao 0.205111 0.741473 0.858275 0 0 0
+001 ho 0.087035 0.543333 0.701441 0 0 0
+001 ho 0.038425 0.558556 0.902963 0 0 0
+001 ho 0.098879 0.710925 0.618528 0 0 0
+001 ho 0.007111 0.741581 0.838606 0 0 0
+001 ho 0.184105 0.675325 0.635628 0 0 0
+001 ho 0.144345 0.713159 0.814695 0 0 0
+001 ho 0.155806 0.585681 0.619603 0 0 0
+001 ho 0.099456 0.589847 0.816807 0 0 0
+016 oh 0.036108 0.676759 0.684967 0 0 0
+016 oh 0.983830 0.660033 0.882185 0 0 0
+016 oh 0.044949 0.610891 0.634695 0 0 0
+016 oh 0.982976 0.585882 0.838154 0 0 0
+016 oh 0.981730 0.545659 0.680065 0 0 0
+016 oh 0.261227 0.535222 0.881108 0 0 0
+016 oh 0.263391 0.667435 0.681027 0 0 0
+016 oh 0.204008 0.655139 0.882834 0 0 0
+016 oh 0.267605 0.585918 0.634234 0 0 0
+016 oh 0.210078 0.576382 0.837462 0 0 0
+016 oh 0.972315 0.711248 0.641640 0 0 0
+016 oh 0.254458 0.692260 0.838127 0 0 0
+001 ho 0.027217 0.679674 0.705431 0 0 0
+001 ho 0.975740 0.656027 0.903707 0 0 0
+027 ao 0.981473 0.632565 0.660560 0 0 0
+027 ao 0.259973 0.619298 0.860246 0 0 0
+001 ho 0.026149 0.616249 0.615347 0 0 0
+001 ho 0.990390 0.594422 0.817024 0 0 0
+001 ho 0.017674 0.531549 0.672727 0 0 0
+001 ho 0.963409 0.506329 0.886506 0 0 0
+001 ho 0.255821 0.672598 0.701697 0 0 0
+001 ho 0.185231 0.663143 0.901896 0 0 0
+001 ho 0.261392 0.616702 0.617347 0 0 0
+001 ho 0.179579 0.607450 0.834969 0 0 0
+001 ho 0.983266 0.738055 0.624061 0 0 0
+001 ho 0.260385 0.692495 0.816460 0 0 0
+027 ao 0.066300 0.884339 0.759866 0 0 0
+027 ao 0.007187 0.881746 0.956819 0 0 0
+016 oh 0.067268 0.798594 0.731320 0 0 0
+016 oh 0.005460 0.797549 0.938171 0 0 0
+016 oh 0.001109 0.909640 0.737991 0 0 0
+016 oh 0.950093 0.913028 0.937090 0 0 0
+016 oh 0.109890 0.930709 0.737578 0 0 0
+016 oh 0.062227 0.916652 0.934562 0 0 0
+016 oh 0.115899 0.833413 0.777421 0 0 0
+016 oh 0.061525 0.832854 0.982823 0 0 0
+016 oh 0.012000 0.830481 0.779271 0 0 0
+016 oh 0.947111 0.848441 0.982630 0 0 0
+016 oh 0.060959 0.955453 0.784471 0 0 0
+016 oh 0.014867 0.955785 0.981781 0 0 0
+027 ao 0.114420 0.753704 0.756508 0 0 0
+027 ao 0.067358 0.757381 0.959389 0 0 0
+001 ho 0.030319 0.810664 0.727254 0 0 0
+001 ho 0.967015 0.785771 0.934909 0 0 0
+001 ho 0.985458 0.952866 0.733004 0 0 0
+001 ho 0.935059 0.959092 0.934203 0 0 0
+027 ao 0.951050 0.866346 0.759163 0 0 0
+027 ao 0.234516 0.872011 0.957812 0 0 0
+001 ho 0.130866 0.942656 0.719090 0 0 0
+001 ho 0.069529 0.910003 0.913788 0 0 0
+001 ho 0.153128 0.853869 0.776514 0 0 0
+001 ho 0.048818 0.826148 0.002455 0 0 0
+001 ho 0.031121 0.788003 0.784618 0 0 0
+001 ho 0.953474 0.807613 0.993692 0 0 0
+001 ho 0.065637 0.954389 0.806783 0 0 0
+001 ho 0.006610 0.962154 0.002814 0 0 0
+016 oh 0.176750 0.773068 0.733425 0 0 0
+016 oh 0.122365 0.787175 0.936198 0 0 0
+016 oh 0.173130 0.976807 0.782949 0 0 0
+016 oh 0.119773 0.952444 0.981269 0 0 0
+016 oh 0.227458 0.912675 0.740954 0 0 0
+016 oh 0.177820 0.909936 0.935898 0 0 0
+016 oh 0.949806 0.789862 0.735005 0 0 0
+016 oh 0.236946 0.792385 0.934877 0 0 0
+016 oh 0.280885 0.950019 0.784426 0 0 0
+016 oh 0.228813 0.950886 0.982492 0 0 0
+016 oh 0.229475 0.816701 0.781732 0 0 0
+016 oh 0.179148 0.829684 0.980835 0 0 0
+001 ho 0.184605 0.782508 0.712665 0 0 0
+001 ho 0.134164 0.791794 0.915806 0 0 0
+027 ao 0.229198 0.999503 0.760893 0 0 0
+027 ao 0.178298 0.993080 0.957809 0 0 0
+001 ho 0.167072 0.968637 0.803411 0 0 0
+001 ho 0.095004 0.914322 0.986280 0 0 0
+001 ho 0.193488 0.885316 0.741794 0 0 0
+001 ho 0.143250 0.888761 0.931862 0 0 0
+001 ho 0.961778 0.799378 0.714615 0 0 0
+001 ho 0.242898 0.798945 0.913851 0 0 0
+001 ho 0.986814 0.943621 0.793976 0 0 0
+001 ho 0.262815 0.946368 0.993518 0 0 0
+001 ho 0.217737 0.815661 0.802232 0 0 0
+001 ho 0.143895 0.848402 0.983218 0 0 0
+027 ao 0.150684 0.763546 0.663459 0 0 0
+027 ao 0.097525 0.758333 0.860174 0 0 0
+016 oh 0.152943 0.926435 0.681971 0 0 0
+016 oh 0.095254 0.925120 0.882457 0 0 0
+016 oh 0.206467 0.798165 0.681782 0 0 0
+016 oh 0.156130 0.784106 0.881737 0 0 0
+016 oh 0.102362 0.815294 0.683061 0 0 0
+016 oh 0.049763 0.804218 0.882839 0 0 0
+016 oh 0.099476 0.966203 0.637672 0 0 0
+016 oh 0.041867 0.963484 0.839952 0 0 0
+016 oh 0.205633 0.960605 0.635744 0 0 0
+016 oh 0.147469 0.959942 0.840243 0 0 0
+016 oh 0.153993 0.841058 0.636280 0 0 0
+016 oh 0.096196 0.835774 0.834166 0 0 0
+027 ao 0.095779 0.887267 0.659873 0 0 0
+027 ao 0.040391 0.882422 0.863660 0 0 0
+001 ho 0.181390 0.896514 0.687625 0 0 0
+001 ho 0.132739 0.924483 0.889489 0 0 0
+001 ho 0.228502 0.839646 0.677966 0 0 0
+001 ho 0.163293 0.833085 0.876619 0 0 0
+027 ao 0.262856 0.992574 0.657811 0 0 0
+027 ao 0.204586 0.992732 0.859184 0 0 0
+001 ho 0.088095 0.798218 0.702479 0 0 0
+001 ho 0.039995 0.792981 0.904388 0 0 0
+001 ho 0.071812 0.003004 0.635967 0 0 0
+001 ho 0.015090 0.999727 0.838974 0 0 0
+001 ho 0.193173 0.913667 0.633111 0 0 0
+001 ho 0.128880 0.916623 0.834790 0 0 0
+001 ho 0.154770 0.847567 0.614276 0 0 0
+001 ho 0.092105 0.830205 0.813033 0 0 0
+016 oh 0.033500 0.924262 0.681628 0 0 0
+016 oh 0.980508 0.906980 0.885780 0 0 0
+016 oh 0.039821 0.848619 0.637438 0 0 0
+016 oh 0.990370 0.844570 0.837266 0 0 0
+016 oh 0.979306 0.795726 0.682543 0 0 0
+016 oh 0.264415 0.786721 0.881941 0 0 0
+016 oh 0.262274 0.913619 0.681669 0 0 0
+016 oh 0.212094 0.912294 0.882332 0 0 0
+016 oh 0.265659 0.827958 0.637910 0 0 0
+016 oh 0.205321 0.823264 0.839115 0 0 0
+016 oh 0.977028 0.959469 0.636677 0 0 0
+016 oh 0.255323 0.947124 0.838787 0 0 0
+001 ho 0.031053 0.924925 0.702749 0 0 0
+001 ho 0.973865 0.901764 0.906704 0 0 0
+027 ao 0.980295 0.878912 0.657890 0 0 0
+027 ao 0.262895 0.871903 0.859648 0 0 0
+001 ho 0.044069 0.798269 0.635842 0 0 0
+001 ho 0.993593 0.848996 0.816336 0 0 0
+001 ho 0.008189 0.763083 0.688330 0 0 0
+001 ho 0.968089 0.759477 0.883781 0 0 0
+001 ho 0.256653 0.921921 0.702589 0 0 0
+001 ho 0.208185 0.912702 0.904013 0 0 0
+001 ho 0.243932 0.830341 0.620607 0 0 0
+001 ho 0.173227 0.840008 0.829471 0 0 0
+001 ho 0.976262 0.977328 0.616660 0 0 0
+001 ho 0.267446 0.959680 0.818402 0 0 0
+027 ao 0.396281 0.129208 0.756472 0 0 0
+027 ao 0.344908 0.129896 0.959001 0 0 0
+016 oh 0.395987 0.042181 0.738164 0 0 0
+016 oh 0.339599 0.044632 0.936340 0 0 0
+016 oh 0.340413 0.153524 0.736618 0 0 0
+016 oh 0.286017 0.159743 0.938565 0 0 0
+016 oh 0.445836 0.170077 0.736979 0 0 0
+016 oh 0.389309 0.178052 0.935295 0 0 0
+016 oh 0.447517 0.084051 0.780310 0 0 0
+016 oh 0.390620 0.077885 0.979303 0 0 0
+016 oh 0.338905 0.081168 0.782106 0 0 0
+016 oh 0.285614 0.089861 0.983678 0 0 0
+016 oh 0.398158 0.203080 0.782288 0 0 0
+016 oh 0.349984 0.207957 0.981466 0 0 0
+027 ao 0.449159 0.002403 0.760611 0 0 0
+027 ao 0.389637 0.999776 0.959748 0 0 0
+001 ho 0.369212 0.016407 0.726528 0 0 0
+001 ho 0.306915 0.049735 0.923466 0 0 0
+001 ho 0.329209 0.200629 0.730192 0 0 0
+001 ho 0.292336 0.209278 0.942659 0 0 0
+027 ao 0.285762 0.116744 0.760029 0 0 0
+027 ao 0.560673 0.117440 0.960477 0 0 0
+001 ho 0.452903 0.174983 0.715948 0 0 0
+001 ho 0.392166 0.189671 0.914977 0 0 0
+001 ho 0.483113 0.108649 0.773780 0 0 0
+001 ho 0.387450 0.088207 0.999825 0 0 0
+001 ho 0.362863 0.040462 0.784901 0 0 0
+001 ho 0.287787 0.039200 0.980832 0 0 0
+001 ho 0.396758 0.203699 0.803605 0 0 0
+001 ho 0.318951 0.227367 0.991807 0 0 0
+016 oh 0.511152 0.030280 0.736637 0 0 0
+016 oh 0.454365 0.027646 0.937229 0 0 0
+016 oh 0.510927 0.221216 0.781127 0 0 0
+016 oh 0.451925 0.218747 0.982622 0 0 0
+016 oh 0.567533 0.164679 0.736485 0 0 0
+016 oh 0.510669 0.163529 0.937573 0 0 0
+016 oh 0.275687 0.036236 0.737247 0 0 0
+016 oh 0.558729 0.037350 0.938051 0 0 0
+016 oh 0.614633 0.206605 0.783930 0 0 0
+016 oh 0.558694 0.192213 0.983840 0 0 0
+016 oh 0.569048 0.072992 0.779228 0 0 0
+016 oh 0.511677 0.074039 0.981855 0 0 0
+001 ho 0.526491 0.036922 0.716150 0 0 0
+001 ho 0.463658 0.043167 0.917428 0 0 0
+027 ao 0.564975 0.251360 0.759693 0 0 0
+027 ao 0.509210 0.243057 0.958654 0 0 0
+001 ho 0.503140 0.210636 0.802272 0 0 0
+001 ho 0.424280 0.197624 0.994580 0 0 0
+001 ho 0.537808 0.131923 0.734936 0 0 0
+001 ho 0.473315 0.143458 0.937336 0 0 0
+001 ho 0.283659 0.043257 0.716034 0 0 0
+001 ho 0.571285 0.035680 0.917262 0 0 0
+001 ho 0.306310 0.204326 0.795998 0 0 0
+001 ho 0.553621 0.204065 0.004464 0 0 0
+001 ho 0.563310 0.080504 0.800143 0 0 0
+001 ho 0.479446 0.098799 0.987777 0 0 0
+027 ao 0.476861 0.007772 0.660949 0 0 0
+027 ao 0.424023 0.008831 0.861130 0 0 0
+016 oh 0.477971 0.180701 0.684991 0 0 0
+016 oh 0.420115 0.174845 0.881341 0 0 0
+016 oh 0.537479 0.041688 0.682548 0 0 0
+016 oh 0.490193 0.035170 0.880208 0 0 0
+016 oh 0.432866 0.052063 0.684212 0 0 0
+016 oh 0.376059 0.054732 0.882493 0 0 0
+016 oh 0.426996 0.210708 0.640980 0 0 0
+016 oh 0.371137 0.210887 0.838645 0 0 0
+016 oh 0.527464 0.226060 0.640018 0 0 0
+016 oh 0.490372 0.207584 0.834392 0 0 0
+016 oh 0.473716 0.086618 0.637245 0 0 0
+016 oh 0.426629 0.086523 0.835979 0 0 0
+027 ao 0.427375 0.135119 0.663785 0 0 0
+027 ao 0.369021 0.129787 0.861219 0 0 0
+001 ho 0.515822 0.167731 0.685717 0 0 0
+001 ho 0.458923 0.165565 0.883039 0 0 0
+001 ho 0.564393 0.077184 0.685271 0 0 0
+001 ho 0.502612 0.081141 0.886048 0 0 0
+027 ao 0.587770 0.248749 0.659980 0 0 0
+027 ao 0.544956 0.238041 0.860652 0 0 0
+001 ho 0.426979 0.053685 0.705058 0 0 0
+001 ho 0.371872 0.057722 0.904251 0 0 0
+001 ho 0.419668 0.207644 0.620028 0 0 0
+001 ho 0.343388 0.239784 0.830159 0 0 0
+001 ho 0.528812 0.205393 0.620519 0 0 0
+001 ho 0.480327 0.160222 0.830814 0 0 0
+001 ho 0.480284 0.084264 0.616551 0 0 0
+001 ho 0.426151 0.084988 0.814267 0 0 0
+016 oh 0.369691 0.159298 0.684391 0 0 0
+016 oh 0.310624 0.163202 0.884755 0 0 0
+016 oh 0.372288 0.089695 0.635638 0 0 0
+016 oh 0.315925 0.092307 0.839217 0 0 0
+016 oh 0.313348 0.036518 0.679617 0 0 0
+016 oh 0.598665 0.030325 0.884081 0 0 0
+016 oh 0.591307 0.167223 0.684205 0 0 0
+016 oh 0.536747 0.155778 0.881700 0 0 0
+016 oh 0.592577 0.080673 0.639217 0 0 0
+016 oh 0.544418 0.064624 0.835021 0 0 0
+016 oh 0.314451 0.200720 0.640994 0 0 0
+016 oh 0.592355 0.189726 0.837189 0 0 0
+001 ho 0.360647 0.156184 0.705197 0 0 0
+001 ho 0.302217 0.165788 0.905603 0 0 0
+027 ao 0.318225 0.119225 0.660133 0 0 0
+027 ao 0.592204 0.113316 0.857267 0 0 0
+001 ho 0.393501 0.055010 0.626300 0 0 0
+001 ho 0.322870 0.078698 0.819065 0 0 0
+001 ho 0.351117 0.021902 0.683427 0 0 0
+001 ho 0.282002 0.004965 0.887416 0 0 0
+001 ho 0.580451 0.170386 0.704728 0 0 0
+001 ho 0.541091 0.156507 0.902979 0 0 0
+001 ho 0.556994 0.093534 0.633861 0 0 0
+001 ho 0.511448 0.053467 0.825596 0 0 0
+001 ho 0.351618 0.214279 0.640732 0 0 0
+001 ho 0.593846 0.196630 0.815822 0 0 0
+027 ao 0.399214 0.381497 0.759650 0 0 0
+027 ao 0.339559 0.379422 0.957329 0 0 0
+016 oh 0.402144 0.300288 0.736280 0 0 0
+016 oh 0.335304 0.299319 0.933610 0 0 0
+016 oh 0.342873 0.408526 0.737375 0 0 0
+016 oh 0.282354 0.417720 0.934534 0 0 0
+016 oh 0.444533 0.424347 0.738280 0 0 0
+016 oh 0.392898 0.418802 0.934816 0 0 0
+016 oh 0.456476 0.336114 0.781822 0 0 0
+016 oh 0.398722 0.336224 0.975892 0 0 0
+016 oh 0.347560 0.334102 0.783203 0 0 0
+016 oh 0.285171 0.345154 0.979855 0 0 0
+016 oh 0.400160 0.460141 0.781575 0 0 0
+016 oh 0.345360 0.462826 0.979369 0 0 0
+027 ao 0.454707 0.253633 0.759117 0 0 0
+027 ao 0.394564 0.256848 0.956421 0 0 0
+001 ho 0.364855 0.287243 0.739705 0 0 0
+001 ho 0.296476 0.300607 0.930521 0 0 0
+001 ho 0.346652 0.458247 0.734013 0 0 0
+001 ho 0.268425 0.466397 0.937442 0 0 0
+027 ao 0.291169 0.373281 0.759799 0 0 0
+027 ao 0.570000 0.360794 0.958445 0 0 0
+001 ho 0.446819 0.413770 0.716816 0 0 0
+001 ho 0.408089 0.424529 0.915321 0 0 0
+001 ho 0.491283 0.357470 0.780544 0 0 0
+001 ho 0.419171 0.379846 0.972391 0 0 0
+001 ho 0.352110 0.282461 0.781179 0 0 0
+001 ho 0.285205 0.325794 0.998564 0 0 0
+001 ho 0.402911 0.461471 0.803408 0 0 0
+001 ho 0.342716 0.463784 0.000223 0 0 0
+016 oh 0.512072 0.279857 0.733947 0 0 0
+016 oh 0.452978 0.284796 0.934850 0 0 0
+016 oh 0.504763 0.473481 0.782932 0 0 0
+016 oh 0.449037 0.464167 0.981751 0 0 0
+016 oh 0.568475 0.409171 0.736160 0 0 0
+016 oh 0.513948 0.404578 0.940444 0 0 0
+016 oh 0.287288 0.290348 0.736145 0 0 0
+016 oh 0.563938 0.291817 0.934857 0 0 0
+016 oh 0.610660 0.459196 0.782042 0 0 0
+016 oh 0.553748 0.441976 0.986529 0 0 0
+016 oh 0.571874 0.331439 0.783532 0 0 0
+016 oh 0.517173 0.319503 0.980661 0 0 0
+001 ho 0.515572 0.293032 0.712528 0 0 0
+001 ho 0.447980 0.284201 0.913578 0 0 0
+027 ao 0.561749 0.500889 0.758537 0 0 0
+027 ao 0.510558 0.488426 0.959541 0 0 0
+001 ho 0.496764 0.462470 0.803586 0 0 0
+001 ho 0.456706 0.460971 0.002584 0 0 0
+001 ho 0.533073 0.387683 0.736254 0 0 0
+001 ho 0.490041 0.367920 0.933479 0 0 0
+001 ho 0.297554 0.297081 0.716025 0 0 0
+001 ho 0.575326 0.284866 0.914597 0 0 0
+001 ho 0.316985 0.442325 0.796589 0 0 0
+001 ho 0.574226 0.453466 0.004529 0 0 0
+001 ho 0.567657 0.329245 0.804266 0 0 0
+001 ho 0.503335 0.363723 0.987847 0 0 0
+027 ao 0.473149 0.262202 0.662653 0 0 0
+027 ao 0.429565 0.253353 0.857661 0 0 0
+016 oh 0.478447 0.432753 0.682781 0 0 0
+016 oh 0.428838 0.420990 0.886001 0 0 0
+016 oh 0.538915 0.302360 0.681827 0 0 0
+016 oh 0.484561 0.282260 0.879012 0 0 0
+016 oh 0.426974 0.304737 0.685097 0 0 0
+016 oh 0.384577 0.296873 0.884104 0 0 0
+016 oh 0.428065 0.472347 0.638797 0 0 0
+016 oh 0.373323 0.458584 0.840468 0 0 0
+016 oh 0.534551 0.476397 0.634996 0 0 0
+016 oh 0.479503 0.456414 0.839318 0 0 0
+016 oh 0.469949 0.345407 0.639433 0 0 0
+016 oh 0.429987 0.333890 0.837260 0 0 0
+027 ao 0.420389 0.386771 0.661721 0 0 0
+027 ao 0.376814 0.374089 0.864274 0 0 0
+001 ho 0.517909 0.424606 0.684967 0 0 0
+001 ho 0.467125 0.413844 0.889813 0 0 0
+001 ho 0.548464 0.352175 0.684319 0 0 0
+001 ho 0.500711 0.329753 0.878779 0 0 0
+027 ao 0.590770 0.504636 0.656907 0 0 0
+027 ao 0.536540 0.496765 0.858504 0 0 0
+001 ho 0.417739 0.302276 0.706619 0 0 0
+001 ho 0.368314 0.290649 0.902646 0 0 0
+001 ho 0.430029 0.479818 0.617697 0 0 0
+001 ho 0.337785 0.478213 0.845124 0 0 0
+001 ho 0.524653 0.439596 0.620824 0 0 0
+001 ho 0.466566 0.406459 0.836856 0 0 0
+001 ho 0.485538 0.346961 0.619324 0 0 0
+001 ho 0.435527 0.337366 0.816249 0 0 0
+016 oh 0.365677 0.415910 0.681123 0 0 0
+016 oh 0.318565 0.409992 0.881459 0 0 0
+016 oh 0.367180 0.350096 0.634832 0 0 0
+016 oh 0.321296 0.338083 0.839606 0 0 0
+016 oh 0.308681 0.293170 0.681715 0 0 0
+016 oh 0.594551 0.288655 0.881588 0 0 0
+016 oh 0.590788 0.421019 0.682834 0 0 0
+016 oh 0.538337 0.401200 0.882785 0 0 0
+016 oh 0.592417 0.328324 0.635581 0 0 0
+016 oh 0.545649 0.324505 0.837032 0 0 0
+016 oh 0.309643 0.461730 0.635030 0 0 0
+016 oh 0.585061 0.452453 0.835704 0 0 0
+001 ho 0.360394 0.400788 0.701432 0 0 0
+001 ho 0.311300 0.413388 0.903650 0 0 0
+027 ao 0.310482 0.378043 0.653494 0 0 0
+027 ao 0.592684 0.370852 0.857749 0 0 0
+001 ho 0.383284 0.310936 0.623620 0 0 0
+001 ho 0.329138 0.341947 0.819606 0 0 0
+001 ho 0.344803 0.274203 0.680836 0 0 0
+001 ho 0.288052 0.249321 0.880982 0 0 0
+001 ho 0.584281 0.412965 0.704593 0 0 0
+001 ho 0.537741 0.401356 0.903531 0 0 0
+001 ho 0.554742 0.329171 0.630046 0 0 0
+001 ho 0.512602 0.320503 0.826584 0 0 0
+001 ho 0.344324 0.486049 0.635185 0 0 0
+001 ho 0.596026 0.451530 0.814828 0 0 0
+027 ao 0.396235 0.634221 0.757305 0 0 0
+027 ao 0.346315 0.632996 0.957135 0 0 0
+016 oh 0.393788 0.545138 0.736398 0 0 0
+016 oh 0.344736 0.550580 0.931894 0 0 0
+016 oh 0.336682 0.667936 0.740094 0 0 0
+016 oh 0.281920 0.673219 0.936891 0 0 0
+016 oh 0.442895 0.675911 0.732785 0 0 0
+016 oh 0.394678 0.673062 0.934537 0 0 0
+016 oh 0.449625 0.591520 0.778898 0 0 0
+016 oh 0.395697 0.582812 0.977779 0 0 0
+016 oh 0.343457 0.589483 0.784680 0 0 0
+016 oh 0.288214 0.592106 0.978329 0 0 0
+016 oh 0.401134 0.712071 0.781065 0 0 0
+016 oh 0.347715 0.704738 0.981614 0 0 0
+027 ao 0.452595 0.506060 0.757246 0 0 0
+027 ao 0.399235 0.501830 0.955462 0 0 0
+001 ho 0.352332 0.544451 0.733138 0 0 0
+001 ho 0.306696 0.537320 0.928360 0 0 0
+001 ho 0.325651 0.713440 0.731777 0 0 0
+001 ho 0.270785 0.722154 0.933872 0 0 0
+027 ao 0.285622 0.621851 0.763084 0 0 0
+027 ao 0.566519 0.616544 0.961865 0 0 0
+001 ho 0.451072 0.677341 0.711597 0 0 0
+001 ho 0.406012 0.675731 0.913952 0 0 0
+001 ho 0.484542 0.609620 0.773216 0 0 0
+001 ho 0.430758 0.603443 0.977903 0 0 0
+001 ho 0.360062 0.545045 0.787477 0 0 0
+001 ho 0.289960 0.542181 0.974513 0 0 0
+001 ho 0.390890 0.713712 0.800995 0 0 0
+001 ho 0.344820 0.710915 0.003000 0 0 0
+016 oh 0.508401 0.532894 0.735229 0 0 0
+016 oh 0.458620 0.532560 0.934518 0 0 0
+016 oh 0.505540 0.719753 0.780736 0 0 0
+016 oh 0.453847 0.711671 0.981149 0 0 0
+016 oh 0.565064 0.670753 0.739788 0 0 0
+016 oh 0.514107 0.661536 0.938067 0 0 0
+016 oh 0.290505 0.537696 0.738558 0 0 0
+016 oh 0.566211 0.531950 0.939071 0 0 0
+016 oh 0.620875 0.708663 0.783475 0 0 0
+016 oh 0.560278 0.695852 0.984184 0 0 0
+016 oh 0.567563 0.585576 0.782779 0 0 0
+016 oh 0.511513 0.573236 0.981621 0 0 0
+001 ho 0.521609 0.542314 0.715570 0 0 0
+001 ho 0.462161 0.537895 0.912840 0 0 0
+027 ao 0.563452 0.742245 0.761224 0 0 0
+027 ao 0.517331 0.745292 0.959288 0 0 0
+001 ho 0.499099 0.712795 0.801470 0 0 0
+001 ho 0.449583 0.715638 0.002301 0 0 0
+001 ho 0.533221 0.652683 0.730940 0 0 0
+001 ho 0.482024 0.633253 0.936123 0 0 0
+001 ho 0.279573 0.534326 0.717547 0 0 0
+001 ho 0.576917 0.527777 0.918781 0 0 0
+001 ho 0.317134 0.715890 0.790211 0 0 0
+001 ho 0.580774 0.729851 0.996458 0 0 0
+001 ho 0.554427 0.574661 0.802235 0 0 0
+001 ho 0.507175 0.585710 0.001664 0 0 0
+027 ao 0.478120 0.509959 0.661465 0 0 0
+027 ao 0.427788 0.504955 0.857412 0 0 0
+016 oh 0.481420 0.678973 0.680768 0 0 0
+016 oh 0.425734 0.674664 0.880541 0 0 0
+016 oh 0.539640 0.544043 0.680050 0 0 0
+016 oh 0.483496 0.538847 0.880504 0 0 0
+016 oh 0.430117 0.561969 0.682335 0 0 0
+016 oh 0.381705 0.550848 0.880144 0 0 0
+016 oh 0.422380 0.718721 0.638847 0 0 0
+016 oh 0.368640 0.711961 0.838571 0 0 0
+016 oh 0.540720 0.723954 0.634967 0 0 0
+016 oh 0.477820 0.714260 0.835116 0 0 0
+016 oh 0.479222 0.595081 0.637024 0 0 0
+016 oh 0.428077 0.585378 0.835564 0 0 0
+027 ao 0.426097 0.635228 0.660758 0 0 0
+027 ao 0.369473 0.625576 0.861987 0 0 0
+001 ho 0.520698 0.668621 0.679027 0 0 0
+001 ho 0.463277 0.665225 0.887167 0 0 0
+001 ho 0.556593 0.588632 0.682307 0 0 0
+001 ho 0.500780 0.587673 0.880631 0 0 0
+027 ao 0.595099 0.750407 0.658373 0 0 0
+027 ao 0.536643 0.739211 0.859150 0 0 0
+001 ho 0.421355 0.552457 0.702793 0 0 0
+001 ho 0.375158 0.538304 0.900770 0 0 0
+001 ho 0.396309 0.759839 0.638441 0 0 0
+001 ho 0.333381 0.736724 0.836499 0 0 0
+001 ho 0.550837 0.710192 0.614768 0 0 0
+001 ho 0.459331 0.669214 0.836716 0 0 0
+001 ho 0.517974 0.610797 0.637045 0 0 0
+001 ho 0.428507 0.591460 0.813395 0 0 0
+016 oh 0.364038 0.661160 0.682921 0 0 0
+016 oh 0.315927 0.653606 0.884013 0 0 0
+016 oh 0.376315 0.594626 0.634142 0 0 0
+016 oh 0.319330 0.588117 0.838077 0 0 0
+016 oh 0.312851 0.541200 0.680673 0 0 0
+016 oh 0.587890 0.530369 0.881905 0 0 0
+016 oh 0.586289 0.667149 0.684372 0 0 0
+016 oh 0.539909 0.659570 0.883788 0 0 0
+016 oh 0.599083 0.585020 0.640027 0 0 0
+016 oh 0.538830 0.573725 0.837550 0 0 0
+016 oh 0.312910 0.703196 0.633870 0 0 0
+016 oh 0.585712 0.696074 0.835419 0 0 0
+001 ho 0.364481 0.656279 0.703951 0 0 0
+001 ho 0.310494 0.658953 0.904541 0 0 0
+027 ao 0.317396 0.624429 0.659323 0 0 0
+027 ao 0.592835 0.614842 0.857783 0 0 0
+001 ho 0.397700 0.555986 0.626454 0 0 0
+001 ho 0.323134 0.590089 0.815917 0 0 0
+001 ho 0.339954 0.506801 0.687653 0 0 0
+001 ho 0.290001 0.500034 0.880824 0 0 0
+001 ho 0.586165 0.666495 0.706971 0 0 0
+001 ho 0.539231 0.662997 0.905574 0 0 0
+001 ho 0.598473 0.614813 0.622782 0 0 0
+001 ho 0.501125 0.586364 0.831893 0 0 0
+001 ho 0.343764 0.718866 0.622404 0 0 0
+001 ho 0.596272 0.695777 0.814085 0 0 0
+027 ao 0.391183 0.879592 0.759549 0 0 0
+027 ao 0.349828 0.873732 0.959760 0 0 0
+016 oh 0.393507 0.800222 0.737503 0 0 0
+016 oh 0.345539 0.800209 0.936236 0 0 0
+016 oh 0.335974 0.916376 0.738849 0 0 0
+016 oh 0.287126 0.916766 0.936950 0 0 0
+016 oh 0.443154 0.923141 0.737765 0 0 0
+016 oh 0.389800 0.923801 0.935725 0 0 0
+016 oh 0.449581 0.835709 0.782552 0 0 0
+016 oh 0.399950 0.832473 0.979344 0 0 0
+016 oh 0.337069 0.839360 0.783798 0 0 0
+016 oh 0.288077 0.834743 0.980701 0 0 0
+016 oh 0.394726 0.957378 0.784489 0 0 0
+016 oh 0.339043 0.954617 0.982234 0 0 0
+027 ao 0.453541 0.756839 0.757864 0 0 0
+027 ao 0.404887 0.754405 0.956830 0 0 0
+001 ho 0.356407 0.787070 0.733702 0 0 0
+001 ho 0.306181 0.799455 0.929462 0 0 0
+001 ho 0.317284 0.957964 0.734604 0 0 0
+001 ho 0.299727 0.964318 0.939391 0 0 0
+027 ao 0.279878 0.868190 0.763367 0 0 0
+027 ao 0.565128 0.876702 0.963522 0 0 0
+001 ho 0.452690 0.931020 0.717151 0 0 0
+001 ho 0.398143 0.931871 0.915962 0 0 0
+001 ho 0.484095 0.857694 0.779227 0 0 0
+001 ho 0.413331 0.834894 0.999642 0 0 0
+001 ho 0.355966 0.797485 0.790472 0 0 0
+001 ho 0.286661 0.784315 0.978717 0 0 0
+001 ho 0.388505 0.955946 0.805945 0 0 0
+001 ho 0.339670 0.942297 0.002419 0 0 0
+016 oh 0.505800 0.790110 0.736104 0 0 0
+016 oh 0.461287 0.783746 0.935678 0 0 0
+016 oh 0.503293 0.966322 0.783428 0 0 0
+016 oh 0.443813 0.964133 0.982238 0 0 0
+016 oh 0.562583 0.913182 0.740449 0 0 0
+016 oh 0.508152 0.904939 0.939987 0 0 0
+016 oh 0.287461 0.792459 0.737309 0 0 0
+016 oh 0.570278 0.790860 0.937312 0 0 0
+016 oh 0.614729 0.952475 0.783409 0 0 0
+016 oh 0.550881 0.952805 0.983859 0 0 0
+016 oh 0.567385 0.822780 0.781582 0 0 0
+016 oh 0.520237 0.823628 0.983631 0 0 0
+001 ho 0.509128 0.786949 0.714784 0 0 0
+001 ho 0.461738 0.787930 0.914203 0 0 0
+027 ao 0.559918 0.990521 0.762542 0 0 0
+027 ao 0.504194 0.997914 0.959544 0 0 0
+001 ho 0.494525 0.960041 0.804256 0 0 0
+001 ho 0.451010 0.916089 0.977382 0 0 0
+001 ho 0.528672 0.884666 0.738076 0 0 0
+001 ho 0.482243 0.868682 0.935737 0 0 0
+001 ho 0.288235 0.801527 0.715846 0 0 0
+001 ho 0.575112 0.803198 0.917411 0 0 0
+001 ho 0.317814 0.957804 0.789417 0 0 0
+001 ho 0.559798 0.980450 0.001925 0 0 0
+001 ho 0.554503 0.823320 0.801799 0 0 0
+001 ho 0.497959 0.823900 0.000619 0 0 0
+027 ao 0.478941 0.761800 0.660832 0 0 0
+027 ao 0.424585 0.753743 0.858414 0 0 0
+016 oh 0.476848 0.924500 0.682865 0 0 0
+016 oh 0.425070 0.930785 0.882749 0 0 0
+016 oh 0.535465 0.799680 0.682831 0 0 0
+016 oh 0.486506 0.784664 0.879725 0 0 0
+016 oh 0.424076 0.802591 0.683321 0 0 0
+016 oh 0.381374 0.800643 0.882983 0 0 0
+016 oh 0.429728 0.964466 0.636911 0 0 0
+016 oh 0.368807 0.958788 0.836017 0 0 0
+016 oh 0.534175 0.968385 0.638078 0 0 0
+016 oh 0.475801 0.960997 0.835599 0 0 0
+016 oh 0.474785 0.839933 0.638790 0 0 0
+016 oh 0.425174 0.839192 0.837162 0 0 0
+027 ao 0.424111 0.885296 0.660623 0 0 0
+027 ao 0.371968 0.879939 0.861114 0 0 0
+001 ho 0.513474 0.907503 0.686976 0 0 0
+001 ho 0.459880 0.910558 0.886235 0 0 0
+001 ho 0.561348 0.836119 0.687328 0 0 0
+001 ho 0.508645 0.827511 0.884877 0 0 0
+027 ao 0.589600 0.996133 0.659820 0 0 0
+027 ao 0.539559 0.984716 0.862487 0 0 0
+001 ho 0.415071 0.805449 0.704683 0 0 0
+001 ho 0.363724 0.797127 0.902608 0 0 0
+001 ho 0.443269 0.959743 0.616771 0 0 0
+001 ho 0.332087 0.973297 0.840444 0 0 0
+001 ho 0.513771 0.965601 0.619078 0 0 0
+001 ho 0.464513 0.911792 0.836326 0 0 0
+001 ho 0.474908 0.844499 0.617825 0 0 0
+001 ho 0.435563 0.838935 0.816135 0 0 0
+016 oh 0.370844 0.909049 0.683485 0 0 0
+016 oh 0.318281 0.914562 0.882229 0 0 0
+016 oh 0.373056 0.843257 0.636085 0 0 0
+016 oh 0.318625 0.839063 0.835943 0 0 0
+016 oh 0.317052 0.790058 0.681361 0 0 0
+016 oh 0.590665 0.783368 0.882280 0 0 0
+016 oh 0.592603 0.919464 0.683949 0 0 0
+016 oh 0.537529 0.906192 0.884222 0 0 0
+016 oh 0.594562 0.838936 0.638720 0 0 0
+016 oh 0.542834 0.824176 0.837008 0 0 0
+016 oh 0.316974 0.950251 0.636545 0 0 0
+016 oh 0.589415 0.945096 0.839325 0 0 0
+001 ho 0.360032 0.893358 0.702507 0 0 0
+001 ho 0.311811 0.903764 0.902617 0 0 0
+027 ao 0.315999 0.875047 0.657628 0 0 0
+027 ao 0.592801 0.861905 0.859993 0 0 0
+001 ho 0.377943 0.838844 0.614702 0 0 0
+001 ho 0.324668 0.847426 0.814565 0 0 0
+001 ho 0.353600 0.772449 0.683347 0 0 0
+001 ho 0.294742 0.754405 0.884900 0 0 0
+001 ho 0.584990 0.915117 0.704661 0 0 0
+001 ho 0.534518 0.911272 0.905301 0 0 0
+001 ho 0.556865 0.852789 0.639720 0 0 0
+001 ho 0.505549 0.840594 0.836438 0 0 0
+001 ho 0.350648 0.967429 0.628637 0 0 0
+001 ho 0.591649 0.950563 0.818079 0 0 0
+027 ao 0.732515 0.127993 0.759939 0 0 0
+027 ao 0.669589 0.129980 0.956070 0 0 0
+016 oh 0.731280 0.055957 0.737892 0 0 0
+016 oh 0.684356 0.051779 0.936373 0 0 0
+016 oh 0.671488 0.172940 0.739533 0 0 0
+016 oh 0.612371 0.169174 0.937004 0 0 0
+016 oh 0.780552 0.179581 0.737577 0 0 0
+016 oh 0.722034 0.176618 0.935707 0 0 0
+016 oh 0.786858 0.085183 0.781376 0 0 0
+016 oh 0.730508 0.090270 0.980842 0 0 0
+016 oh 0.675844 0.101754 0.784513 0 0 0
+016 oh 0.621177 0.083595 0.977196 0 0 0
+016 oh 0.733975 0.219268 0.783007 0 0 0
+016 oh 0.662012 0.212497 0.984631 0 0 0
+027 ao 0.784734 0.000705 0.763598 0 0 0
+027 ao 0.733746 0.008771 0.960150 0 0 0
+001 ho 0.697835 0.050021 0.726587 0 0 0
+001 ho 0.660924 0.011580 0.931031 0 0 0
+001 ho 0.657397 0.220759 0.741041 0 0 0
+001 ho 0.595796 0.215959 0.939400 0 0 0
+027 ao 0.620638 0.117986 0.756913 0 0 0
+027 ao 0.905836 0.116616 0.964601 0 0 0
+001 ho 0.796241 0.180068 0.718087 0 0 0
+001 ho 0.736731 0.168336 0.916356 0 0 0
+001 ho 0.818910 0.110043 0.785453 0 0 0
+001 ho 0.758080 0.127680 0.980440 0 0 0
+001 ho 0.663556 0.107113 0.805115 0 0 0
+001 ho 0.627979 0.033593 0.980104 0 0 0
+001 ho 0.731450 0.219866 0.804102 0 0 0
+001 ho 0.625868 0.197085 0.988547 0 0 0
+016 oh 0.850368 0.033261 0.738346 0 0 0
+016 oh 0.793500 0.040732 0.938509 0 0 0
+016 oh 0.844095 0.212738 0.782117 0 0 0
+016 oh 0.784300 0.210264 0.979996 0 0 0
+016 oh 0.898401 0.161275 0.739951 0 0 0
+016 oh 0.847044 0.157295 0.938436 0 0 0
+016 oh 0.626617 0.039037 0.737503 0 0 0
+016 oh 0.900316 0.039335 0.939769 0 0 0
+016 oh 0.953181 0.206530 0.781748 0 0 0
+016 oh 0.894369 0.203812 0.981616 0 0 0
+016 oh 0.912061 0.071181 0.785347 0 0 0
+016 oh 0.850913 0.081481 0.985061 0 0 0
+001 ho 0.841399 0.038103 0.717569 0 0 0
+001 ho 0.801404 0.036429 0.916837 0 0 0
+027 ao 0.897461 0.241277 0.758480 0 0 0
+027 ao 0.843245 0.240250 0.957276 0 0 0
+001 ho 0.829239 0.212111 0.802255 0 0 0
+001 ho 0.788892 0.185711 0.998851 0 0 0
+001 ho 0.866499 0.132992 0.734668 0 0 0
+001 ho 0.816962 0.124333 0.940777 0 0 0
+001 ho 0.623060 0.032556 0.717121 0 0 0
+001 ho 0.904356 0.042171 0.919061 0 0 0
+001 ho 0.648515 0.199903 0.792930 0 0 0
+001 ho 0.909879 0.237130 0.996471 0 0 0
+001 ho 0.892607 0.058724 0.802933 0 0 0
+001 ho 0.834549 0.107157 0.001402 0 0 0
+027 ao 0.815866 0.018206 0.663402 0 0 0
+027 ao 0.760143 0.009230 0.861000 0 0 0
+016 oh 0.813136 0.178507 0.682881 0 0 0
+016 oh 0.756674 0.171431 0.883511 0 0 0
+016 oh 0.873252 0.051797 0.682837 0 0 0
+016 oh 0.822374 0.033421 0.885571 0 0 0
+016 oh 0.767032 0.057774 0.684937 0 0 0
+016 oh 0.716177 0.049569 0.884447 0 0 0
+016 oh 0.761042 0.222995 0.640015 0 0 0
+016 oh 0.699292 0.212841 0.843995 0 0 0
+016 oh 0.867358 0.221269 0.638805 0 0 0
+016 oh 0.808582 0.209273 0.835482 0 0 0
+016 oh 0.813053 0.090593 0.637997 0 0 0
+016 oh 0.760973 0.089437 0.837005 0 0 0
+027 ao 0.759850 0.140511 0.664589 0 0 0
+027 ao 0.703529 0.132029 0.862221 0 0 0
+001 ho 0.851340 0.168933 0.685150 0 0 0
+001 ho 0.793543 0.159310 0.884180 0 0 0
+001 ho 0.892916 0.095181 0.688323 0 0 0
+001 ho 0.829490 0.083987 0.890599 0 0 0
+027 ao 0.928661 0.254188 0.659463 0 0 0
+027 ao 0.865185 0.241343 0.855353 0 0 0
+001 ho 0.762864 0.058693 0.706109 0 0 0
+001 ho 0.703781 0.057430 0.904050 0 0 0
+001 ho 0.733183 0.251504 0.633263 0 0 0
+001 ho 0.659746 0.220973 0.841774 0 0 0
+001 ho 0.856055 0.171122 0.641272 0 0 0
+001 ho 0.788663 0.165415 0.833206 0 0 0
+001 ho 0.828008 0.077012 0.619484 0 0 0
+001 ho 0.761786 0.081699 0.815059 0 0 0
+016 oh 0.694518 0.172239 0.685104 0 0 0
+016 oh 0.646770 0.154591 0.885213 0 0 0
+016 oh 0.708501 0.100317 0.640772 0 0 0
+016 oh 0.656312 0.087545 0.838955 0 0 0
+016 oh 0.644550 0.047809 0.684053 0 0 0
+016 oh 0.928650 0.042478 0.881605 0 0 0
+016 oh 0.927741 0.172867 0.683653 0 0 0
+016 oh 0.872504 0.164449 0.882581 0 0 0
+016 oh 0.930965 0.089958 0.634438 0 0 0
+016 oh 0.874439 0.074731 0.838010 0 0 0
+016 oh 0.638128 0.204953 0.638495 0 0 0
+016 oh 0.919902 0.195630 0.836245 0 0 0
+001 ho 0.685538 0.167399 0.706727 0 0 0
+001 ho 0.640351 0.163893 0.905930 0 0 0
+027 ao 0.649098 0.129488 0.660542 0 0 0
+027 ao 0.924827 0.120743 0.856964 0 0 0
+001 ho 0.724412 0.070944 0.625284 0 0 0
+001 ho 0.662990 0.038299 0.839083 0 0 0
+001 ho 0.676144 0.018424 0.683722 0 0 0
+001 ho 0.631557 0.001692 0.884304 0 0 0
+001 ho 0.928607 0.172141 0.704065 0 0 0
+001 ho 0.867520 0.163457 0.904297 0 0 0
+001 ho 0.930810 0.090959 0.612221 0 0 0
+001 ho 0.842491 0.097102 0.829806 0 0 0
+001 ho 0.650143 0.208090 0.617888 0 0 0
+001 ho 0.933025 0.203396 0.815521 0 0 0
+027 ao 0.736694 0.382361 0.761437 0 0 0
+027 ao 0.677653 0.378907 0.958852 0 0 0
+016 oh 0.734403 0.306071 0.737182 0 0 0
+016 oh 0.679735 0.298700 0.935055 0 0 0
+016 oh 0.672955 0.421616 0.740344 0 0 0
+016 oh 0.622817 0.414710 0.937408 0 0 0
+016 oh 0.787509 0.430778 0.739885 0 0 0
+016 oh 0.721142 0.430403 0.935443 0 0 0
+016 oh 0.788667 0.336726 0.783209 0 0 0
+016 oh 0.735579 0.333511 0.976533 0 0 0
+016 oh 0.681325 0.347039 0.782711 0 0 0
+016 oh 0.623011 0.336958 0.979689 0 0 0
+016 oh 0.734647 0.468422 0.785555 0 0 0
+016 oh 0.681193 0.453942 0.986340 0 0 0
+027 ao 0.789096 0.252178 0.761253 0 0 0
+027 ao 0.732994 0.257618 0.953928 0 0 0
+001 ho 0.706001 0.285004 0.725987 0 0 0
+001 ho 0.648481 0.303263 0.922866 0 0 0
+001 ho 0.666495 0.472598 0.740340 0 0 0
+001 ho 0.606303 0.456683 0.944786 0 0 0
+027 ao 0.617852 0.373888 0.758796 0 0 0
+027 ao 0.898241 0.366276 0.961410 0 0 0
+001 ho 0.797357 0.427529 0.719386 0 0 0
+001 ho 0.735614 0.433384 0.915404 0 0 0
+001 ho 0.826062 0.351091 0.779243 0 0 0
+001 ho 0.760747 0.373490 0.978683 0 0 0
+001 ho 0.688338 0.300091 0.789686 0 0 0
+001 ho 0.633788 0.285947 0.983429 0 0 0
+001 ho 0.721665 0.459579 0.806251 0 0 0
+001 ho 0.660402 0.457389 0.004191 0 0 0
+016 oh 0.846874 0.287371 0.736544 0 0 0
+016 oh 0.789943 0.282435 0.932912 0 0 0
+016 oh 0.847929 0.467337 0.785844 0 0 0
+016 oh 0.786668 0.472546 0.983519 0 0 0
+016 oh 0.899998 0.411588 0.739013 0 0 0
+016 oh 0.843945 0.418409 0.938709 0 0 0
+016 oh 0.619412 0.289548 0.738752 0 0 0
+016 oh 0.896073 0.288700 0.937544 0 0 0
+016 oh 0.954432 0.447646 0.784515 0 0 0
+016 oh 0.893402 0.452010 0.981671 0 0 0
+016 oh 0.904514 0.323769 0.782018 0 0 0
+016 oh 0.846468 0.323154 0.983240 0 0 0
+001 ho 0.847160 0.286437 0.715381 0 0 0
+001 ho 0.794814 0.291259 0.911933 0 0 0
+027 ao 0.903111 0.489577 0.761715 0 0 0
+027 ao 0.845110 0.494997 0.958910 0 0 0
+001 ho 0.835371 0.467461 0.806855 0 0 0
+001 ho 0.786547 0.477685 0.004882 0 0 0
+001 ho 0.864813 0.390461 0.735790 0 0 0
+001 ho 0.808736 0.393804 0.936753 0 0 0
+001 ho 0.616048 0.290971 0.717089 0 0 0
+001 ho 0.896920 0.286298 0.915315 0 0 0
+001 ho 0.637973 0.483744 0.794288 0 0 0
+001 ho 0.931495 0.455430 0.989336 0 0 0
+001 ho 0.899592 0.332435 0.802956 0 0 0
+001 ho 0.825708 0.346659 0.997755 0 0 0
+027 ao 0.815636 0.266658 0.660550 0 0 0
+027 ao 0.756471 0.260676 0.858460 0 0 0
+016 oh 0.808321 0.427434 0.686307 0 0 0
+016 oh 0.759838 0.428314 0.885028 0 0 0
+016 oh 0.874474 0.294971 0.683977 0 0 0
+016 oh 0.819185 0.289757 0.878982 0 0 0
+016 oh 0.768939 0.308784 0.682481 0 0 0
+016 oh 0.711009 0.305454 0.881884 0 0 0
+016 oh 0.761356 0.461133 0.637618 0 0 0
+016 oh 0.707443 0.462596 0.840368 0 0 0
+016 oh 0.866673 0.470358 0.637600 0 0 0
+016 oh 0.816475 0.462758 0.837450 0 0 0
+016 oh 0.817019 0.341333 0.636554 0 0 0
+016 oh 0.759816 0.334279 0.836175 0 0 0
+027 ao 0.755419 0.386591 0.660965 0 0 0
+027 ao 0.706127 0.386667 0.863605 0 0 0
+001 ho 0.846764 0.419412 0.691318 0 0 0
+001 ho 0.799013 0.413605 0.885746 0 0 0
+001 ho 0.891918 0.321146 0.699613 0 0 0
+001 ho 0.835362 0.336410 0.879057 0 0 0
+027 ao 0.926568 0.501109 0.658234 0 0 0
+027 ao 0.877095 0.497522 0.859811 0 0 0
+001 ho 0.758020 0.307980 0.703282 0 0 0
+001 ho 0.700871 0.299335 0.903091 0 0 0
+001 ho 0.763532 0.478341 0.617754 0 0 0
+001 ho 0.676003 0.493211 0.837714 0 0 0
+001 ho 0.854402 0.422874 0.633588 0 0 0
+001 ho 0.809443 0.414949 0.831024 0 0 0
+001 ho 0.828537 0.334741 0.616239 0 0 0
+001 ho 0.773074 0.336929 0.815896 0 0 0
+016 oh 0.701157 0.415778 0.683190 0 0 0
+016 oh 0.645045 0.409166 0.884877 0 0 0
+016 oh 0.708232 0.348819 0.637807 0 0 0
+016 oh 0.647107 0.342670 0.836789 0 0 0
+016 oh 0.642538 0.294406 0.681685 0 0 0
+016 oh 0.925515 0.286408 0.882236 0 0 0
+016 oh 0.931390 0.426969 0.682991 0 0 0
+016 oh 0.869913 0.410423 0.883720 0 0 0
+016 oh 0.931958 0.330359 0.639350 0 0 0
+016 oh 0.872696 0.324037 0.834182 0 0 0
+016 oh 0.644207 0.453855 0.637929 0 0 0
+016 oh 0.923663 0.448450 0.838441 0 0 0
+001 ho 0.695250 0.426444 0.703373 0 0 0
+001 ho 0.643876 0.420322 0.906547 0 0 0
+027 ao 0.644510 0.372687 0.661849 0 0 0
+027 ao 0.931816 0.370889 0.858397 0 0 0
+001 ho 0.698539 0.345918 0.616832 0 0 0
+001 ho 0.661273 0.343461 0.817557 0 0 0
+001 ho 0.671242 0.261366 0.685245 0 0 0
+001 ho 0.629442 0.266643 0.885567 0 0 0
+001 ho 0.931043 0.433313 0.704324 0 0 0
+001 ho 0.861930 0.408732 0.905263 0 0 0
+001 ho 0.913041 0.341824 0.622351 0 0 0
+001 ho 0.847177 0.329239 0.817983 0 0 0
+001 ho 0.681128 0.450674 0.632165 0 0 0
+001 ho 0.930493 0.449898 0.817182 0 0 0
+027 ao 0.727410 0.635417 0.758083 0 0 0
+027 ao 0.673854 0.634187 0.958328 0 0 0
+016 oh 0.736063 0.548197 0.739095 0 0 0
+016 oh 0.685133 0.550178 0.936635 0 0 0
+016 oh 0.671468 0.662392 0.737296 0 0 0
+016 oh 0.615849 0.662850 0.938122 0 0 0
+016 oh 0.778542 0.678430 0.738149 0 0 0
+016 oh 0.724241 0.676860 0.932386 0 0 0
+016 oh 0.787868 0.597977 0.782467 0 0 0
+016 oh 0.739677 0.594640 0.977116 0 0 0
+016 oh 0.674022 0.582884 0.782291 0 0 0
+016 oh 0.623628 0.584610 0.983384 0 0 0
+016 oh 0.728183 0.711819 0.782299 0 0 0
+016 oh 0.678823 0.710833 0.977743 0 0 0
+027 ao 0.791748 0.509192 0.761069 0 0 0
+027 ao 0.733697 0.509420 0.960477 0 0 0
+001 ho 0.700453 0.541786 0.729837 0 0 0
+001 ho 0.661122 0.551057 0.918914 0 0 0
+001 ho 0.658141 0.708941 0.734763 0 0 0
+001 ho 0.597061 0.708774 0.934938 0 0 0
+027 ao 0.617961 0.619939 0.759362 0 0 0
+027 ao 0.906066 0.618888 0.960138 0 0 0
+001 ho 0.791740 0.673853 0.718657 0 0 0
+001 ho 0.733704 0.678037 0.912219 0 0 0
+001 ho 0.808973 0.643421 0.786389 0 0 0
+001 ho 0.769877 0.623715 0.969654 0 0 0
+001 ho 0.696485 0.541185 0.783306 0 0 0
+001 ho 0.621812 0.535409 0.988256 0 0 0
+001 ho 0.732714 0.709635 0.803892 0 0 0
+001 ho 0.650449 0.724055 0.990430 0 0 0
+016 oh 0.846358 0.535653 0.737632 0 0 0
+016 oh 0.793519 0.535741 0.935320 0 0 0
+016 oh 0.839262 0.717730 0.783821 0 0 0
+016 oh 0.789761 0.711411 0.978588 0 0 0
+016 oh 0.894777 0.664733 0.737015 0 0 0
+016 oh 0.846707 0.661173 0.935570 0 0 0
+016 oh 0.614597 0.543082 0.737535 0 0 0
+016 oh 0.904336 0.538651 0.937795 0 0 0
+016 oh 0.945254 0.696251 0.782024 0 0 0
+016 oh 0.900648 0.703075 0.978948 0 0 0
+016 oh 0.909735 0.568818 0.781177 0 0 0
+016 oh 0.853822 0.577453 0.982323 0 0 0
+001 ho 0.858748 0.533784 0.716799 0 0 0
+001 ho 0.802201 0.526519 0.914366 0 0 0
+027 ao 0.897361 0.744210 0.760400 0 0 0
+027 ao 0.848260 0.743834 0.955933 0 0 0
+001 ho 0.842063 0.719826 0.804589 0 0 0
+001 ho 0.772840 0.696858 0.996996 0 0 0
+001 ho 0.863203 0.636691 0.739376 0 0 0
+001 ho 0.820722 0.623583 0.936267 0 0 0
+001 ho 0.618072 0.534120 0.716012 0 0 0
+001 ho 0.911016 0.543825 0.916618 0 0 0
+001 ho 0.657564 0.716006 0.790546 0 0 0
+001 ho 0.891408 0.702386 0.999721 0 0 0
+001 ho 0.899067 0.577010 0.801518 0 0 0
+001 ho 0.834754 0.584445 0.001314 0 0 0
+027 ao 0.810434 0.504314 0.661920 0 0 0
+027 ao 0.763650 0.510018 0.860414 0 0 0
+016 oh 0.809364 0.682130 0.686330 0 0 0
+016 oh 0.762609 0.672868 0.881358 0 0 0
+016 oh 0.872338 0.538024 0.683176 0 0 0
+016 oh 0.820480 0.539817 0.880867 0 0 0
+016 oh 0.762171 0.550981 0.684999 0 0 0
+016 oh 0.714078 0.550175 0.883869 0 0 0
+016 oh 0.760722 0.714352 0.641064 0 0 0
+016 oh 0.711153 0.711228 0.838938 0 0 0
+016 oh 0.865719 0.720844 0.640688 0 0 0
+016 oh 0.817816 0.710747 0.839020 0 0 0
+016 oh 0.814211 0.591197 0.640443 0 0 0
+016 oh 0.758894 0.581993 0.835942 0 0 0
+027 ao 0.761228 0.632689 0.662730 0 0 0
+027 ao 0.704428 0.628260 0.860671 0 0 0
+001 ho 0.847259 0.674102 0.690216 0 0 0
+001 ho 0.794289 0.660045 0.893054 0 0 0
+001 ho 0.883351 0.587523 0.682616 0 0 0
+001 ho 0.826669 0.583678 0.889752 0 0 0
+027 ao 0.922766 0.749455 0.663672 0 0 0
+027 ao 0.877519 0.741380 0.858217 0 0 0
+001 ho 0.759352 0.531587 0.705669 0 0 0
+001 ho 0.713408 0.548047 0.905167 0 0 0
+001 ho 0.770194 0.710083 0.620286 0 0 0
+001 ho 0.680383 0.742185 0.839977 0 0 0
+001 ho 0.861583 0.676870 0.630573 0 0 0
+001 ho 0.811425 0.662288 0.841263 0 0 0
+001 ho 0.848605 0.580506 0.631501 0 0 0
+001 ho 0.759615 0.591385 0.814821 0 0 0
+016 oh 0.703339 0.671850 0.685815 0 0 0
+016 oh 0.648087 0.659252 0.881353 0 0 0
+016 oh 0.710549 0.596001 0.642394 0 0 0
+016 oh 0.652422 0.589030 0.838058 0 0 0
+016 oh 0.652905 0.547804 0.683040 0 0 0
+016 oh 0.933690 0.540887 0.885463 0 0 0
+016 oh 0.924504 0.667105 0.683975 0 0 0
+016 oh 0.877323 0.663672 0.883065 0 0 0
+016 oh 0.931161 0.585012 0.635232 0 0 0
+016 oh 0.875658 0.568552 0.834758 0 0 0
+016 oh 0.643676 0.704063 0.641130 0 0 0
+016 oh 0.924329 0.694357 0.835965 0 0 0
+001 ho 0.701190 0.665355 0.707107 0 0 0
+001 ho 0.641513 0.669977 0.901821 0 0 0
+027 ao 0.655612 0.626213 0.664855 0 0 0
+027 ao 0.932932 0.620074 0.861515 0 0 0
+001 ho 0.705080 0.577897 0.622091 0 0 0
+001 ho 0.657203 0.583443 0.816111 0 0 0
+001 ho 0.686259 0.518903 0.680074 0 0 0
+001 ho 0.615169 0.493708 0.884329 0 0 0
+001 ho 0.918741 0.666599 0.705980 0 0 0
+001 ho 0.868697 0.672152 0.903500 0 0 0
+001 ho 0.924366 0.592737 0.615684 0 0 0
+001 ho 0.841953 0.572708 0.824285 0 0 0
+001 ho 0.669164 0.726370 0.628598 0 0 0
+001 ho 0.931779 0.689013 0.814691 0 0 0
+027 ao 0.729664 0.886371 0.760873 0 0 0
+027 ao 0.678533 0.882930 0.960272 0 0 0
+016 oh 0.733662 0.804885 0.739959 0 0 0
+016 oh 0.679349 0.805266 0.938088 0 0 0
+016 oh 0.671945 0.913879 0.740020 0 0 0
+016 oh 0.619504 0.925717 0.939064 0 0 0
+016 oh 0.781322 0.931105 0.739571 0 0 0
+016 oh 0.729610 0.930695 0.938725 0 0 0
+016 oh 0.785236 0.843974 0.784937 0 0 0
+016 oh 0.733914 0.835002 0.981992 0 0 0
+016 oh 0.675058 0.834338 0.783710 0 0 0
+016 oh 0.627982 0.852967 0.983838 0 0 0
+016 oh 0.728689 0.963873 0.783256 0 0 0
+016 oh 0.681361 0.969861 0.983442 0 0 0
+027 ao 0.788677 0.757329 0.759039 0 0 0
+027 ao 0.733838 0.759626 0.955940 0 0 0
+001 ho 0.694272 0.796798 0.740622 0 0 0
+001 ho 0.643118 0.788920 0.933827 0 0 0
+001 ho 0.661235 0.962495 0.739703 0 0 0
+001 ho 0.603376 0.971971 0.935896 0 0 0
+027 ao 0.617146 0.868099 0.761621 0 0 0
+027 ao 0.894190 0.876789 0.963696 0 0 0
+001 ho 0.797031 0.936936 0.719532 0 0 0
+001 ho 0.740286 0.936320 0.918169 0 0 0
+001 ho 0.819440 0.867062 0.781554 0 0 0
+001 ho 0.737585 0.848533 0.002229 0 0 0
+001 ho 0.694354 0.789110 0.786958 0 0 0
+001 ho 0.627264 0.821121 0.000775 0 0 0
+001 ho 0.716461 0.968305 0.803252 0 0 0
+001 ho 0.670344 0.958401 0.003768 0 0 0
+016 oh 0.846221 0.789666 0.738038 0 0 0
+016 oh 0.794960 0.788287 0.933783 0 0 0
+016 oh 0.838202 0.965316 0.785236 0 0 0
+016 oh 0.787124 0.971523 0.983932 0 0 0
+016 oh 0.900160 0.917415 0.739966 0 0 0
+016 oh 0.847486 0.918700 0.940648 0 0 0
+016 oh 0.620063 0.789396 0.736149 0 0 0
+016 oh 0.902529 0.786125 0.936870 0 0 0
+016 oh 0.950783 0.951789 0.786280 0 0 0
+016 oh 0.889040 0.959232 0.986649 0 0 0
+016 oh 0.903544 0.824556 0.782551 0 0 0
+016 oh 0.841930 0.823169 0.983878 0 0 0
+001 ho 0.847754 0.792589 0.716604 0 0 0
+001 ho 0.793281 0.789980 0.913017 0 0 0
+027 ao 0.897522 0.995072 0.763364 0 0 0
+027 ao 0.842093 0.003402 0.962251 0 0 0
+001 ho 0.831193 0.956913 0.806633 0 0 0
+001 ho 0.771456 0.945577 0.000375 0 0 0
+001 ho 0.867946 0.886080 0.738303 0 0 0
+001 ho 0.810448 0.900188 0.938583 0 0 0
+001 ho 0.623462 0.787796 0.714942 0 0 0
+001 ho 0.907139 0.793783 0.915571 0 0 0
+001 ho 0.648116 0.978680 0.783214 0 0 0
+001 ho 0.908563 0.962151 0.004369 0 0 0
+001 ho 0.898125 0.825847 0.803358 0 0 0
+001 ho 0.804416 0.837768 0.983529 0 0 0
+027 ao 0.812184 0.757604 0.663491 0 0 0
+027 ao 0.766890 0.754037 0.860980 0 0 0
+016 oh 0.820904 0.930995 0.687982 0 0 0
+016 oh 0.759380 0.927677 0.882503 0 0 0
+016 oh 0.872166 0.795044 0.684012 0 0 0
+016 oh 0.827557 0.790427 0.880077 0 0 0
+016 oh 0.767294 0.808525 0.688261 0 0 0
+016 oh 0.718226 0.795601 0.887348 0 0 0
+016 oh 0.762437 0.962064 0.644797 0 0 0
+016 oh 0.701455 0.955386 0.839454 0 0 0
+016 oh 0.870963 0.975270 0.637826 0 0 0
+016 oh 0.814869 0.960523 0.838934 0 0 0
+016 oh 0.813771 0.841122 0.643584 0 0 0
+016 oh 0.761641 0.836576 0.840701 0 0 0
+027 ao 0.767271 0.889217 0.667282 0 0 0
+027 ao 0.708858 0.875554 0.866913 0 0 0
+001 ho 0.857895 0.929178 0.694952 0 0 0
+001 ho 0.796887 0.919694 0.887491 0 0 0
+001 ho 0.876730 0.846548 0.682901 0 0 0
+001 ho 0.844565 0.838734 0.880926 0 0 0
+027 ao 0.925006 0.004032 0.658824 0 0 0
+027 ao 0.873786 0.992483 0.861739 0 0 0
+001 ho 0.754291 0.792364 0.706524 0 0 0
+001 ho 0.706428 0.800557 0.908354 0 0 0
+001 ho 0.755701 0.968821 0.623770 0 0 0
+001 ho 0.666038 0.942019 0.832726 0 0 0
+001 ho 0.870338 0.947802 0.619586 0 0 0
+001 ho 0.799455 0.915137 0.838961 0 0 0
+001 ho 0.847441 0.864807 0.636946 0 0 0
+001 ho 0.763017 0.841578 0.819573 0 0 0
+016 oh 0.703802 0.918179 0.687134 0 0 0
+016 oh 0.644006 0.898860 0.885853 0 0 0
+016 oh 0.704420 0.844569 0.641358 0 0 0
+016 oh 0.653234 0.837042 0.839123 0 0 0
+016 oh 0.642873 0.787179 0.682406 0 0 0
+016 oh 0.934855 0.785234 0.878388 0 0 0
+016 oh 0.927508 0.925220 0.682663 0 0 0
+016 oh 0.870752 0.908541 0.884214 0 0 0
+016 oh 0.929235 0.829692 0.637997 0 0 0
+016 oh 0.877418 0.818028 0.835157 0 0 0
+016 oh 0.645582 0.957251 0.641057 0 0 0
+016 oh 0.918890 0.942427 0.837686 0 0 0
+001 ho 0.688730 0.921749 0.706415 0 0 0
+001 ho 0.632290 0.909714 0.906244 0 0 0
+027 ao 0.652268 0.876078 0.664059 0 0 0
+027 ao 0.931414 0.866284 0.858676 0 0 0
+001 ho 0.719607 0.796063 0.642076 0 0 0
+001 ho 0.666047 0.839288 0.819361 0 0 0
+001 ho 0.670706 0.753265 0.687900 0 0 0
+001 ho 0.624670 0.757507 0.883615 0 0 0
+001 ho 0.934140 0.924000 0.704438 0 0 0
+001 ho 0.876620 0.915314 0.905564 0 0 0
+001 ho 0.909392 0.831907 0.620418 0 0 0
+001 ho 0.842208 0.831773 0.829485 0 0 0
+001 ho 0.683622 0.972233 0.638386 0 0 0
+001 ho 0.926201 0.941042 0.817004 0 0 0
+016 o* 0.052523 0.585468 0.178750 0 0 0
+001 h* 0.017099 0.602558 0.169748 0 0 0
+001 h* 0.079693 0.611965 0.168493 0 0 0
+016 o* 0.296347 0.986423 0.052680 0 0 0
+001 h* 0.308871 0.939961 0.049179 0 0 0
+001 h* 0.307562 0.001946 0.072087 0 0 0
+016 o* 0.261193 0.845214 0.433812 0 0 0
+001 h* 0.247782 0.867331 0.450182 0 0 0
+001 h* 0.295287 0.867634 0.428099 0 0 0
+016 o* 0.729629 0.394498 0.444908 0 0 0
+001 h* 0.726923 0.366742 0.462235 0 0 0
+001 h* 0.750428 0.367713 0.431323 0 0 0
+016 o* 0.129193 0.949758 0.584335 0 0 0
+001 h* 0.161286 0.980028 0.581108 0 0 0
+001 h* 0.119580 0.962200 0.603452 0 0 0
+016 o* 0.075204 0.756468 0.181964 0 0 0
+001 h* 0.090214 0.713352 0.174404 0 0 0
+001 h* 0.045536 0.749729 0.195825 0 0 0
+016 o* 0.634544 0.717612 0.291917 0 0 0
+001 h* 0.617145 0.684068 0.279079 0 0 0
+001 h* 0.672375 0.705724 0.287734 0 0 0
+016 o* 0.998736 0.635639 0.523622 0 0 0
+001 h* 0.961644 0.621103 0.527133 0 0 0
+001 h* 0.017800 0.591454 0.526479 0 0 0
+016 o* 0.643057 0.966995 0.153815 0 0 0
+001 h* 0.638386 0.947895 0.173237 0 0 0
+001 h* 0.673538 0.944405 0.145948 0 0 0
+016 o* 0.808165 0.533675 0.525186 0 0 0
+001 h* 0.794413 0.550771 0.507913 0 0 0
+001 h* 0.786398 0.495595 0.531967 0 0 0
+016 o* 0.526317 0.314341 0.544368 0 0 0
+001 h* 0.556630 0.327519 0.532269 0 0 0
+001 h* 0.509287 0.276375 0.534393 0 0 0
+016 o* 0.479043 0.790701 0.533277 0 0 0
+001 h* 0.505138 0.810122 0.546702 0 0 0
+001 h* 0.449536 0.822857 0.535212 0 0 0
+016 o* 0.921311 0.626483 0.088660 0 0 0
+001 h* 0.958298 0.612261 0.082494 0 0 0
+001 h* 0.907828 0.661729 0.074911 0 0 0
+016 o* 0.915035 0.014205 0.056541 0 0 0
+001 h* 0.951289 0.009996 0.050102 0 0 0
+001 h* 0.910539 0.968180 0.062795 0 0 0
+016 o* 0.584018 0.486865 0.418732 0 0 0
+001 h* 0.600888 0.444466 0.424133 0 0 0
+001 h* 0.568314 0.481015 0.398863 0 0 0
+016 o* 0.871758 0.233079 0.581378 0 0 0
+001 h* 0.867211 0.228482 0.601663 0 0 0
+001 h* 0.876329 0.283345 0.580358 0 0 0
+016 o* 0.131781 0.182230 0.507058 0 0 0
+001 h* 0.153306 0.159611 0.521779 0 0 0
+001 h* 0.146754 0.228562 0.504605 0 0 0
+016 o* 0.657262 0.025029 0.314460 0 0 0
+001 h* 0.677007 0.985091 0.309101 0 0 0
+001 h* 0.628749 0.025441 0.299508 0 0 0
+016 o* 0.694543 0.382389 0.306454 0 0 0
+016 o* 0.605567 0.199345 0.381665 0 0 0
+001 h* 0.687728 0.370068 0.287010 0 0 0
+001 h* 0.575283 0.169364 0.377864 0 0 0
+001 h* 0.587271 0.241131 0.387592 0 0 0
+001 h* 0.676717 0.343666 0.315774 0 0 0
+016 o* 0.795889 0.704088 0.590714 0 0 0
+001 h* 0.833233 0.696328 0.589732 0 0 0
+001 h* 0.780271 0.715143 0.572587 0 0 0
+016 o* 0.262928 0.536788 0.082052 0 0 0
+001 h* 0.252246 0.489096 0.085106 0 0 0
+001 h* 0.258454 0.549210 0.061946 0 0 0
+016 o* 0.815287 0.590731 0.045671 0 0 0
+001 h* 0.783731 0.619747 0.048290 0 0 0
+001 h* 0.807657 0.550349 0.055712 0 0 0
+016 o* 0.556970 0.119475 0.508488 0 0 0
+001 h* 0.553102 0.070415 0.512552 0 0 0
+001 h* 0.560645 0.124941 0.488194 0 0 0
+016 o* 0.180938 0.986342 0.037915 0 0 0
+001 h* 0.157504 0.015864 0.028209 0 0 0
+001 h* 0.211152 0.990544 0.023993 0 0 0
+016 o* 0.028196 0.672299 0.361152 0 0 0
+001 h* 0.050008 0.682955 0.344283 0 0 0
+001 h* 0.995921 0.702350 0.363662 0 0 0
+016 o* 0.351635 0.602112 0.581323 0 0 0
+001 h* 0.372948 0.640809 0.578310 0 0 0
+001 h* 0.355899 0.599822 0.602598 0 0 0
+016 o* 0.998905 0.186833 0.348280 0 0 0
+001 h* 0.997015 0.200166 0.327540 0 0 0
+001 h* 0.011579 0.140996 0.348271 0 0 0
+016 o* 0.865232 0.455055 0.037304 0 0 0
+001 h* 0.896861 0.479446 0.043493 0 0 0
+001 h* 0.872426 0.457118 0.017134 0 0 0
+016 o* 0.778639 0.502063 0.418992 0 0 0
+001 h* 0.753175 0.464971 0.422993 0 0 0
+001 h* 0.815516 0.488912 0.425609 0 0 0
+016 o* 0.821145 0.576313 0.465344 0 0 0
+001 h* 0.857969 0.579734 0.459564 0 0 0
+001 h* 0.807047 0.569031 0.446769 0 0 0
+016 o* 0.200236 0.663032 0.228980 0 0 0
+001 h* 0.214766 0.622878 0.219842 0 0 0
+001 h* 0.193316 0.701463 0.215697 0 0 0
+016 o* 0.506411 0.094054 0.581738 0 0 0
+001 h* 0.540715 0.070551 0.577439 0 0 0
+001 h* 0.518067 0.142683 0.580752 0 0 0
+016 o* 0.346293 0.150982 0.228324 0 0 0
+001 h* 0.319703 0.147489 0.213116 0 0 0
+001 h* 0.353535 0.102370 0.233301 0 0 0
+016 o* 0.417777 0.551890 0.370985 0 0 0
+001 h* 0.440984 0.590529 0.365766 0 0 0
+001 h* 0.397116 0.563017 0.388687 0 0 0
+016 o* 0.452538 0.807844 0.159335 0 0 0
+001 h* 0.438911 0.827669 0.142218 0 0 0
+001 h* 0.491344 0.808634 0.158885 0 0 0
+016 o* 0.470833 0.440381 0.167707 0 0 0
+001 h* 0.499857 0.408702 0.163173 0 0 0
+001 h* 0.481039 0.458765 0.186648 0 0 0
+016 o* 0.631670 0.367321 0.430526 0 0 0
+001 h* 0.632255 0.342775 0.412646 0 0 0
+001 h* 0.668217 0.384773 0.431247 0 0 0
+016 o* 0.632068 0.185968 0.260633 0 0 0
+001 h* 0.598561 0.161529 0.261421 0 0 0
+001 h* 0.653311 0.166781 0.244753 0 0 0
+016 o* 0.718887 0.958704 0.280687 0 0 0
+001 h* 0.720725 0.931700 0.263250 0 0 0
+001 h* 0.730447 0.002420 0.273641 0 0 0
+016 o* 0.472940 0.459398 0.037556 0 0 0
+001 h* 0.490867 0.452081 0.055808 0 0 0
+001 h* 0.475810 0.510284 0.035505 0 0 0
+016 o* 0.084190 0.096958 0.044750 0 0 0
+001 h* 0.116774 0.123307 0.040645 0 0 0
+001 h* 0.056706 0.131448 0.050373 0 0 0
+016 o* 0.377467 0.443632 0.248156 0 0 0
+001 h* 0.349376 0.472575 0.256588 0 0 0
+001 h* 0.412972 0.452195 0.257127 0 0 0
+016 o* 0.188614 0.034878 0.314850 0 0 0
+001 h* 0.223091 0.047399 0.309070 0 0 0
+001 h* 0.173078 0.079203 0.319499 0 0 0
+016 o* 0.228721 0.100658 0.111276 0 0 0
+001 h* 0.209519 0.056808 0.110481 0 0 0
+001 h* 0.263960 0.089149 0.104246 0 0 0
+016 o* 0.916487 0.472429 0.113836 0 0 0
+001 h* 0.955432 0.473151 0.117590 0 0 0
+001 h* 0.915198 0.465675 0.092395 0 0 0
+016 o* 0.003315 0.880047 0.584618 0 0 0
+001 h* 0.032573 0.902039 0.573491 0 0 0
+001 h* 0.020762 0.874692 0.602882 0 0 0
+016 o* 0.448314 0.506203 0.443135 0 0 0
+001 h* 0.468880 0.543419 0.450568 0 0 0
+001 h* 0.427933 0.492203 0.460154 0 0 0
+016 o* 0.737854 0.440823 0.546522 0 0 0
+001 h* 0.738745 0.397915 0.555892 0 0 0
+001 h* 0.724513 0.472285 0.560078 0 0 0
+016 o* 0.395313 0.907375 0.183386 0 0 0
+001 h* 0.413640 0.867615 0.174425 0 0 0
+001 h* 0.420136 0.933917 0.194814 0 0 0
+016 o* 0.920417 0.256431 0.450856 0 0 0
+001 h* 0.936828 0.239271 0.468360 0 0 0
+001 h* 0.946748 0.286702 0.442571 0 0 0
+016 o* 0.165247 0.750281 0.032767 0 0 0
+001 h* 0.184853 0.794082 0.032602 0 0 0
+001 h* 0.154180 0.752857 0.052910 0 0 0
+016 o* 0.819175 0.912481 0.549000 0 0 0
+001 h* 0.799096 0.898991 0.532246 0 0 0
+001 h* 0.802887 0.878780 0.563087 0 0 0
+016 o* 0.919172 0.095800 0.581910 0 0 0
+001 h* 0.935863 0.073911 0.565897 0 0 0
+001 h* 0.907041 0.141355 0.576668 0 0 0
+016 o* 0.235417 0.649555 0.459657 0 0 0
+001 h* 0.198725 0.664963 0.458634 0 0 0
+001 h* 0.250939 0.667470 0.441951 0 0 0
+016 o* 0.477275 0.382215 0.422952 0 0 0
+001 h* 0.476291 0.426091 0.431926 0 0 0
+001 h* 0.475685 0.354081 0.440885 0 0 0
+016 o* 0.153187 0.283208 0.388506 0 0 0
+001 h* 0.123127 0.306149 0.379453 0 0 0
+001 h* 0.139187 0.241732 0.394372 0 0 0
+016 o* 0.876111 0.353247 0.504603 0 0 0
+001 h* 0.841332 0.338533 0.512268 0 0 0
+001 h* 0.867504 0.369197 0.485895 0 0 0
+016 o* 0.080713 0.045347 0.146489 0 0 0
+001 h* 0.049379 0.039277 0.158038 0 0 0
+001 h* 0.110840 0.031165 0.158100 0 0 0
+016 o* 0.794015 0.651218 0.185940 0 0 0
+001 h* 0.816556 0.613490 0.189694 0 0 0
+001 h* 0.758897 0.630869 0.191315 0 0 0
+016 o* 0.482129 0.955758 0.587631 0 0 0
+001 h* 0.498819 0.916894 0.577980 0 0 0
+001 h* 0.488210 0.991501 0.572994 0 0 0
+016 o* 0.734054 0.325237 0.565904 0 0 0
+001 h* 0.696239 0.325115 0.572052 0 0 0
+001 h* 0.748757 0.280947 0.571014 0 0 0
+016 o* 0.241158 0.805128 0.079849 0 0 0
+001 h* 0.249435 0.825962 0.062082 0 0 0
+001 h* 0.246544 0.755134 0.077758 0 0 0
+016 o* 0.589137 0.630482 0.333754 0 0 0
+001 h* 0.602176 0.664353 0.319490 0 0 0
+001 h* 0.621453 0.605665 0.340841 0 0 0
+016 o* 0.605800 0.694023 0.124053 0 0 0
+001 h* 0.582577 0.731626 0.127510 0 0 0
+001 h* 0.580935 0.654663 0.128032 0 0 0
+016 o* 0.491763 0.770280 0.425462 0 0 0
+001 h* 0.522846 0.739854 0.422174 0 0 0
+001 h* 0.490406 0.765639 0.446251 0 0 0
+016 o* 0.950989 0.174858 0.500961 0 0 0
+001 h* 0.948363 0.128134 0.494732 0 0 0
+001 h* 0.918240 0.184283 0.511799 0 0 0
+016 o* 0.326740 0.005162 0.240633 0 0 0
+001 h* 0.309723 0.967306 0.233065 0 0 0
+001 h* 0.315358 0.997146 0.260198 0 0 0
+016 o* 0.681629 0.812305 0.122793 0 0 0
+001 h* 0.689325 0.841945 0.140038 0 0 0
+001 h* 0.670644 0.764726 0.127013 0 0 0
+016 o* 0.726434 0.894507 0.158312 0 0 0
+001 h* 0.736771 0.852257 0.168726 0 0 0
+001 h* 0.740401 0.932605 0.169666 0 0 0
+016 o* 0.511144 0.521461 0.209025 0 0 0
+001 h* 0.485152 0.556316 0.213258 0 0 0
+001 h* 0.537818 0.530490 0.222627 0 0 0
+016 o* 0.577458 0.230043 0.124953 0 0 0
+001 h* 0.567252 0.186532 0.133709 0 0 0
+001 h* 0.601365 0.221176 0.108430 0 0 0
+016 o* 0.040970 0.321314 0.036845 0 0 0
+001 h* 0.042546 0.315502 0.016660 0 0 0
+001 h* 0.045044 0.275480 0.044881 0 0 0
+016 o* 0.841623 0.783795 0.292557 0 0 0
+001 h* 0.820729 0.766903 0.309703 0 0 0
+001 h* 0.863264 0.819802 0.300941 0 0 0
+016 o* 0.400215 0.758317 0.212732 0 0 0
+001 h* 0.420617 0.776837 0.196782 0 0 0
+001 h* 0.361678 0.767304 0.207301 0 0 0
+016 o* 0.900723 0.476966 0.510970 0 0 0
+001 h* 0.889122 0.429992 0.511916 0 0 0
+001 h* 0.870981 0.503259 0.517844 0 0 0
+016 o* 0.304310 0.304414 0.108532 0 0 0
+001 h* 0.332918 0.334306 0.099183 0 0 0
+001 h* 0.303770 0.263394 0.097855 0 0 0
+016 o* 0.579065 0.924874 0.112486 0 0 0
+001 h* 0.598758 0.942628 0.129315 0 0 0
+001 h* 0.597675 0.944993 0.095418 0 0 0
+016 o* 0.424547 0.487788 0.583191 0 0 0
+001 h* 0.395663 0.453724 0.583575 0 0 0
+001 h* 0.402549 0.523731 0.575065 0 0 0
+016 o* 0.897197 0.884609 0.080274 0 0 0
+001 h* 0.880624 0.858886 0.063811 0 0 0
+001 h* 0.867578 0.884837 0.093772 0 0 0
+016 o* 0.927969 0.441926 0.349450 0 0 0
+001 h* 0.919951 0.486625 0.357807 0 0 0
+001 h* 0.925012 0.447980 0.328718 0 0 0
+016 o* 0.709005 0.229024 0.363945 0 0 0
+001 h* 0.732064 0.189391 0.367057 0 0 0
+001 h* 0.677651 0.219591 0.375447 0 0 0
+016 o* 0.867048 0.802900 0.191152 0 0 0
+001 h* 0.886111 0.841456 0.181450 0 0 0
+001 h* 0.870575 0.766653 0.176664 0 0 0
+016 o* 0.885859 0.897880 0.592909 0 0 0
+001 h* 0.867600 0.925170 0.578172 0 0 0
+001 h* 0.925260 0.908262 0.593265 0 0 0
+016 o* 0.341583 0.018012 0.158159 0 0 0
+001 h* 0.376010 0.043733 0.156867 0 0 0
+001 h* 0.356869 0.982333 0.171491 0 0 0
+016 o* 0.121972 0.215449 0.184719 0 0 0
+001 h* 0.156204 0.199975 0.175218 0 0 0
+001 h* 0.096772 0.225200 0.169207 0 0 0
+016 o* 0.404961 0.120665 0.109222 0 0 0
+001 h* 0.422258 0.150663 0.122255 0 0 0
+001 h* 0.432425 0.095720 0.099370 0 0 0
+016 o* 0.610650 0.060502 0.582122 0 0 0
+001 h* 0.605653 0.055408 0.602420 0 0 0
+001 h* 0.629062 0.103968 0.580271 0 0 0
+016 o* 0.217546 0.042300 0.215814 0 0 0
+001 h* 0.243509 0.078747 0.214817 0 0 0
+001 h* 0.185745 0.071582 0.221560 0 0 0
+016 o* 0.434760 0.038507 0.261690 0 0 0
+001 h* 0.453563 0.995894 0.266478 0 0 0
+001 h* 0.395610 0.028522 0.259838 0 0 0
+016 o* 0.557899 0.800399 0.149684 0 0 0
+001 h* 0.567629 0.810386 0.169862 0 0 0
+001 h* 0.566407 0.839461 0.138720 0 0 0
+016 o* 0.139192 0.495349 0.298105 0 0 0
+001 h* 0.136807 0.545570 0.299923 0 0 0
+001 h* 0.158139 0.484429 0.316035 0 0 0
+016 o* 0.324904 0.045123 0.100629 0 0 0
+001 h* 0.351889 0.083877 0.102739 0 0 0
+001 h* 0.329185 0.019101 0.118426 0 0 0
+016 o* 0.897744 0.688498 0.041258 0 0 0
+001 h* 0.865012 0.662185 0.041240 0 0 0
+001 h* 0.885153 0.734796 0.045209 0 0 0
+016 o* 0.642543 0.836024 0.592789 0 0 0
+001 h* 0.621822 0.840958 0.611146 0 0 0
+001 h* 0.678249 0.846721 0.598317 0 0 0
+016 o* 0.757367 0.853020 0.588204 0 0 0
+001 h* 0.768884 0.803868 0.590897 0 0 0
+001 h* 0.751178 0.870369 0.607613 0 0 0
+016 o* 0.006372 0.992131 0.039156 0 0 0
+001 h* 0.028712 0.951438 0.042716 0 0 0
+001 h* 0.026898 0.033584 0.044027 0 0 0
+016 o* 0.865149 0.756235 0.364757 0 0 0
+001 h* 0.857722 0.724978 0.380562 0 0 0
+001 h* 0.833814 0.750152 0.353296 0 0 0
+016 o* 0.971579 0.412954 0.065611 0 0 0
+001 h* 0.991888 0.380597 0.054889 0 0 0
+001 h* 0.974818 0.392806 0.084648 0 0 0
+016 o* 0.140598 0.342733 0.446709 0 0 0
+001 h* 0.145875 0.326180 0.426458 0 0 0
+001 h* 0.141797 0.393904 0.444136 0 0 0
+016 o* 0.559854 0.276557 0.208289 0 0 0
+001 h* 0.539556 0.311777 0.218973 0 0 0
+001 h* 0.560697 0.232756 0.219149 0 0 0
+016 o* 0.976489 0.868355 0.114534 0 0 0
+001 h* 0.003791 0.901069 0.107149 0 0 0
+001 h* 0.949594 0.861951 0.099226 0 0 0
+016 o* 0.193541 0.975690 0.097345 0 0 0
+001 h* 0.193446 0.975873 0.076436 0 0 0
+001 h* 0.167429 0.942132 0.104625 0 0 0
+016 o* 0.394048 0.150074 0.363297 0 0 0
+001 h* 0.408341 0.179073 0.377552 0 0 0
+001 h* 0.390047 0.102643 0.369420 0 0 0
+016 o* 0.511130 0.793968 0.352381 0 0 0
+001 h* 0.509135 0.838453 0.361018 0 0 0
+001 h* 0.542932 0.791694 0.340275 0 0 0
+016 o* 0.281848 0.804322 0.252469 0 0 0
+001 h* 0.284983 0.776205 0.234696 0 0 0
+001 h* 0.254431 0.836670 0.250107 0 0 0
+016 o* 0.350330 0.698972 0.056618 0 0 0
+001 h* 0.320537 0.688083 0.071132 0 0 0
+001 h* 0.357725 0.652305 0.050569 0 0 0
+016 o* 0.187369 0.457783 0.345154 0 0 0
+001 h* 0.218183 0.486394 0.350538 0 0 0
+001 h* 0.179175 0.435978 0.363377 0 0 0
+016 o* 0.034964 0.293421 0.373675 0 0 0
+001 h* 0.034036 0.335245 0.360792 0 0 0
+001 h* 0.023373 0.255152 0.360915 0 0 0
+016 o* 0.297913 0.751168 0.201570 0 0 0
+016 o* 0.614224 0.476919 0.038555 0 0 0
+001 h* 0.621114 0.455573 0.057479 0 0 0
+001 h* 0.261770 0.740538 0.195741 0 0 0
+001 h* 0.628475 0.524943 0.040346 0 0 0
+001 h* 0.318869 0.760515 0.183562 0 0 0
+016 o* 0.411658 0.732594 0.097294 0 0 0
+001 h* 0.446999 0.752524 0.093207 0 0 0
+001 h* 0.395163 0.718385 0.079387 0 0 0
+016 o* 0.222273 0.538764 0.487733 0 0 0
+001 h* 0.228145 0.583261 0.479577 0 0 0
+001 h* 0.205541 0.543190 0.506735 0 0 0
+016 o* 0.978125 0.769097 0.151470 0 0 0
+001 h* 0.984594 0.792003 0.133245 0 0 0
+001 h* 0.012315 0.773046 0.162716 0 0 0
+016 o* 0.809883 0.924794 0.429989 0 0 0
+001 h* 0.838038 0.940585 0.416930 0 0 0
+001 h* 0.824211 0.933992 0.448927 0 0 0
+016 o* 0.155130 0.953065 0.473512 0 0 0
+001 h* 0.130991 0.933042 0.459450 0 0 0
+001 h* 0.179785 0.918256 0.480517 0 0 0
+016 o* 0.445244 0.268853 0.332718 0 0 0
+001 h* 0.481332 0.277320 0.327295 0 0 0
+001 h* 0.436600 0.304173 0.347095 0 0 0
+016 o* 0.325390 0.364314 0.484827 0 0 0
+001 h* 0.355057 0.395749 0.485411 0 0 0
+001 h* 0.295685 0.394044 0.477753 0 0 0
+016 o* 0.662684 0.059755 0.366607 0 0 0
+001 h* 0.656140 0.043264 0.347282 0 0 0
+001 h* 0.632528 0.081190 0.373762 0 0 0
+016 o* 0.280667 0.712960 0.418476 0 0 0
+001 h* 0.319190 0.708985 0.415425 0 0 0
+001 h* 0.270964 0.759473 0.424187 0 0 0
+016 o* 0.318425 0.418499 0.309846 0 0 0
+016 o* 0.058171 0.740219 0.532152 0 0 0
+001 h* 0.298975 0.389039 0.296152 0 0 0
+001 h* 0.040671 0.695780 0.527569 0 0 0
+001 h* 0.315848 0.461852 0.299686 0 0 0
+001 h* 0.052901 0.770178 0.516253 0 0 0
+016 o* 0.382307 0.108161 0.483139 0 0 0
+001 h* 0.361028 0.098738 0.499910 0 0 0
+001 h* 0.414768 0.125904 0.490393 0 0 0
+016 o* 0.740023 0.188508 0.449665 0 0 0
+001 h* 0.774918 0.185287 0.459026 0 0 0
+001 h* 0.737419 0.149879 0.436841 0 0 0
+016 o* 0.835816 0.957716 0.299581 0 0 0
+001 h* 0.811529 0.967308 0.283100 0 0 0
+001 h* 0.870997 0.949967 0.292099 0 0 0
+016 o* 0.866434 0.546166 0.175685 0 0 0
+001 h* 0.843478 0.512561 0.185053 0 0 0
+001 h* 0.901055 0.544941 0.185369 0 0 0
+016 o* 0.221824 0.263232 0.277069 0 0 0
+001 h* 0.232540 0.307958 0.270826 0 0 0
+001 h* 0.211731 0.268635 0.297784 0 0 0
+016 o* 0.072955 0.506974 0.365502 0 0 0
+001 h* 0.053819 0.544034 0.374384 0 0 0
+001 h* 0.100693 0.530343 0.353495 0 0 0
+016 o* 0.632049 0.258824 0.077912 0 0 0
+001 h* 0.657480 0.233290 0.065196 0 0 0
+001 h* 0.622820 0.299153 0.066595 0 0 0
+016 o* 0.712457 0.774655 0.398957 0 0 0
+001 h* 0.683019 0.759167 0.387531 0 0 0
+001 h* 0.735032 0.803222 0.386446 0 0 0
+016 o* 0.942803 0.244644 0.026444 0 0 0
+001 h* 0.969942 0.266872 0.036473 0 0 0
+001 h* 0.938032 0.201279 0.036805 0 0 0
+016 o* 0.922532 0.566010 0.230564 0 0 0
+001 h* 0.931708 0.560095 0.251200 0 0 0
+001 h* 0.908651 0.613189 0.232055 0 0 0
+016 o* 0.365468 0.569185 0.033113 0 0 0
+001 h* 0.373232 0.573359 0.012773 0 0 0
+001 h* 0.333525 0.542542 0.033559 0 0 0
+016 o* 0.712420 0.079112 0.138311 0 0 0
+001 h* 0.735104 0.037586 0.138489 0 0 0
+001 h* 0.686221 0.075739 0.152923 0 0 0
+016 o* 0.207662 0.104079 0.386973 0 0 0
+001 h* 0.173341 0.122471 0.392394 0 0 0
+001 h* 0.212136 0.067045 0.400776 0 0 0
+016 o* 0.161724 0.778339 0.352371 0 0 0
+001 h* 0.159615 0.748460 0.368694 0 0 0
+001 h* 0.200765 0.790533 0.351321 0 0 0
+016 o* 0.001960 0.188864 0.292724 0 0 0
+001 h* 0.035665 0.207873 0.285516 0 0 0
+001 h* 0.979133 0.208733 0.279163 0 0 0
+016 o* 0.303185 0.925648 0.582954 0 0 0
+001 h* 0.312020 0.936646 0.602552 0 0 0
+001 h* 0.292366 0.878762 0.583183 0 0 0
+016 o* 0.064441 0.920224 0.540962 0 0 0
+001 h* 0.091207 0.917306 0.554934 0 0 0
+001 h* 0.073560 0.960179 0.529102 0 0 0
+016 o* 0.966777 0.771744 0.377364 0 0 0
+001 h* 0.968806 0.792118 0.396398 0 0 0
+001 h* 0.929953 0.757204 0.373772 0 0 0
+016 o* 0.151296 0.837256 0.119895 0 0 0
+001 h* 0.182218 0.833980 0.107540 0 0 0
+001 h* 0.128257 0.798324 0.119620 0 0 0
+016 o* 0.687503 0.303966 0.136321 0 0 0
+001 h* 0.708460 0.332553 0.122483 0 0 0
+001 h* 0.664365 0.271365 0.126388 0 0 0
+016 o* 0.647592 0.123233 0.099547 0 0 0
+001 h* 0.675037 0.102420 0.112249 0 0 0
+001 h* 0.665570 0.151865 0.086410 0 0 0
+016 o* 0.520137 0.057067 0.322007 0 0 0
+001 h* 0.490218 0.023881 0.324361 0 0 0
+001 h* 0.547484 0.038541 0.308827 0 0 0
+016 o* 0.482814 0.665034 0.357928 0 0 0
+001 h* 0.509431 0.632416 0.350810 0 0 0
+001 h* 0.497492 0.711060 0.356728 0 0 0
+016 o* 0.434003 0.671964 0.590095 0 0 0
+001 h* 0.451213 0.632774 0.599109 0 0 0
+001 h* 0.427303 0.699077 0.607405 0 0 0
+016 o* 0.394456 0.842897 0.466366 0 0 0
+001 h* 0.409023 0.888643 0.467329 0 0 0
+001 h* 0.382276 0.848866 0.446364 0 0 0
+016 o* 0.752544 0.866047 0.364879 0 0 0
+001 h* 0.737621 0.855636 0.346639 0 0 0
+001 h* 0.774080 0.907563 0.363855 0 0 0
+016 o* 0.448738 0.958093 0.469798 0 0 0
+001 h* 0.428270 0.994836 0.462536 0 0 0
+001 h* 0.481182 0.955702 0.458054 0 0 0
+016 o* 0.013174 0.251083 0.588220 0 0 0
+001 h* 0.012764 0.213981 0.574036 0 0 0
+001 h* 0.992036 0.287533 0.579366 0 0 0
+016 o* 0.517453 0.457140 0.367707 0 0 0
+001 h* 0.491446 0.478137 0.354720 0 0 0
+001 h* 0.496021 0.429577 0.379823 0 0 0
+016 o* 0.543866 0.308224 0.314880 0 0 0
+001 h* 0.556759 0.356036 0.316058 0 0 0
+001 h* 0.577158 0.281050 0.311745 0 0 0
+016 o* 0.449469 0.156316 0.289012 0 0 0
+001 h* 0.481128 0.180244 0.295080 0 0 0
+001 h* 0.461260 0.115950 0.277047 0 0 0
+016 o* 0.580206 0.022892 0.275886 0 0 0
+001 h* 0.579708 0.971318 0.275075 0 0 0
+001 h* 0.565320 0.035567 0.257403 0 0 0
+016 o* 0.253344 0.436041 0.454316 0 0 0
+001 h* 0.267203 0.462171 0.436634 0 0 0
+001 h* 0.237147 0.473843 0.466378 0 0 0
+016 o* 0.279914 0.931875 0.133434 0 0 0
+001 h* 0.254910 0.960279 0.122790 0 0 0
+001 h* 0.297511 0.962579 0.147807 0 0 0
+016 o* 0.729827 0.654723 0.281734 0 0 0
+001 h* 0.751222 0.628455 0.294603 0 0 0
+001 h* 0.755951 0.678177 0.269507 0 0 0
+016 o* 0.855929 0.072879 0.198556 0 0 0
+001 h* 0.843642 0.099293 0.181823 0 0 0
+001 h* 0.869680 0.106107 0.212546 0 0 0
+016 o* 0.441027 0.122835 0.536113 0 0 0
+001 h* 0.411202 0.105370 0.547686 0 0 0
+001 h* 0.473187 0.101356 0.542156 0 0 0
+016 o* 0.540623 0.111217 0.149634 0 0 0
+001 h* 0.505568 0.135926 0.150633 0 0 0
+001 h* 0.536611 0.077141 0.134175 0 0 0
+016 o* 0.780044 0.731539 0.333837 0 0 0
+001 h* 0.759207 0.689368 0.338205 0 0 0
+001 h* 0.753027 0.763874 0.328785 0 0 0
+016 o* 0.873542 0.453991 0.427347 0 0 0
+001 h* 0.909496 0.469366 0.434181 0 0 0
+001 h* 0.880747 0.408354 0.420341 0 0 0
+016 o* 0.075404 0.721067 0.113960 0 0 0
+001 h* 0.074291 0.756850 0.100864 0 0 0
+001 h* 0.059206 0.681735 0.103720 0 0 0
+016 o* 0.782418 0.308065 0.519534 0 0 0
+001 h* 0.757268 0.292759 0.504766 0 0 0
+001 h* 0.758226 0.322755 0.535299 0 0 0
+016 o* 0.944497 0.140210 0.063871 0 0 0
+001 h* 0.930379 0.097144 0.057672 0 0 0
+001 h* 0.929244 0.144573 0.083567 0 0 0
+016 o* 0.900130 0.358062 0.585341 0 0 0
+001 h* 0.882617 0.402759 0.583551 0 0 0
+001 h* 0.928439 0.361995 0.571166 0 0 0
+016 o* 0.289031 0.080570 0.516087 0 0 0
+001 h* 0.268441 0.105427 0.529509 0 0 0
+001 h* 0.268632 0.083199 0.498819 0 0 0
+016 o* 0.327679 0.296224 0.337749 0 0 0
+001 h* 0.318906 0.344436 0.334518 0 0 0
+001 h* 0.314110 0.292876 0.356870 0 0 0
+016 o* 0.649584 0.260940 0.319517 0 0 0
+016 o* 0.063331 0.790840 0.062115 0 0 0
+001 h* 0.029412 0.785833 0.052722 0 0 0
+001 h* 0.668636 0.243452 0.336036 0 0 0
+001 h* 0.074774 0.837602 0.057806 0 0 0
+001 h* 0.644284 0.220015 0.306031 0 0 0
+016 o* 0.379571 0.379558 0.085248 0 0 0
+001 h* 0.396867 0.417392 0.095519 0 0 0
+001 h* 0.391708 0.380246 0.064773 0 0 0
+016 o* 0.855263 0.656938 0.410255 0 0 0
+001 h* 0.879621 0.650997 0.425901 0 0 0
+001 h* 0.823525 0.677575 0.418354 0 0 0
+016 o* 0.778607 0.468075 0.205172 0 0 0
+001 h* 0.770658 0.423505 0.211501 0 0 0
+001 h* 0.748158 0.491881 0.212111 0 0 0
+016 o* 0.130574 0.167291 0.419455 0 0 0
+001 h* 0.152275 0.164802 0.436617 0 0 0
+001 h* 0.097342 0.192254 0.423585 0 0 0
+016 o* 0.390346 0.298716 0.172407 0 0 0
+001 h* 0.385867 0.347836 0.172213 0 0 0
+001 h* 0.396984 0.283301 0.192564 0 0 0
+016 o* 0.653506 0.947552 0.559513 0 0 0
+001 h* 0.638752 0.984214 0.571025 0 0 0
+001 h* 0.655635 0.904155 0.569786 0 0 0
+016 o* 0.991428 0.343687 0.438727 0 0 0
+001 h* 0.015028 0.358869 0.452341 0 0 0
+001 h* 0.988152 0.380415 0.424206 0 0 0
+016 o* 0.129677 0.470733 0.587724 0 0 0
+001 h* 0.169075 0.469005 0.589573 0 0 0
+001 h* 0.112638 0.470477 0.606901 0 0 0
+016 o* 0.720801 0.598746 0.220179 0 0 0
+001 h* 0.731100 0.602294 0.240021 0 0 0
+001 h* 0.709175 0.644780 0.215649 0 0 0
+016 o* 0.376294 0.795258 0.265887 0 0 0
+001 h* 0.337732 0.800086 0.266741 0 0 0
+001 h* 0.384990 0.779156 0.245728 0 0 0
+016 o* 0.370574 0.589767 0.420023 0 0 0
+001 h* 0.396715 0.570467 0.432774 0 0 0
+001 h* 0.380789 0.637219 0.417116 0 0 0
+016 o* 0.723145 0.831333 0.309179 0 0 0
+001 h* 0.748772 0.855832 0.298600 0 0 0
+001 h* 0.692139 0.856824 0.308718 0 0 0
+016 o* 0.541675 0.566081 0.506592 0 0 0
+001 h* 0.575432 0.593268 0.506789 0 0 0
+001 h* 0.512948 0.587440 0.495154 0 0 0
+016 o* 0.125418 0.344772 0.205858 0 0 0
+001 h* 0.118216 0.310289 0.191571 0 0 0
+001 h* 0.163963 0.345796 0.207070 0 0 0
+016 o* 0.818058 0.865023 0.117244 0 0 0
+001 h* 0.824151 0.816979 0.122293 0 0 0
+001 h* 0.783178 0.878471 0.124977 0 0 0
+016 o* 0.858210 0.317213 0.285922 0 0 0
+001 h* 0.828625 0.348395 0.284798 0 0 0
+001 h* 0.840630 0.274394 0.293243 0 0 0
+016 o* 0.830272 0.352353 0.350320 0 0 0
+001 h* 0.819063 0.306961 0.344164 0 0 0
+001 h* 0.821950 0.383091 0.333541 0 0 0
+016 o* 0.616593 0.706008 0.213606 0 0 0
+001 h* 0.637350 0.695443 0.195900 0 0 0
+001 h* 0.607127 0.754116 0.216479 0 0 0
+016 o* 0.471327 0.600875 0.044001 0 0 0
+001 h* 0.474750 0.647273 0.049509 0 0 0
+001 h* 0.434410 0.589081 0.044018 0 0 0
+016 o* 0.107746 0.465417 0.162873 0 0 0
+001 h* 0.083892 0.503089 0.166554 0 0 0
+001 h* 0.113072 0.438246 0.181214 0 0 0
+016 o* 0.087392 0.937943 0.111410 0 0 0
+001 h* 0.087291 0.978807 0.124487 0 0 0
+001 h* 0.104998 0.898312 0.120981 0 0 0
+016 o* 0.279893 0.115328 0.037377 0 0 0
+001 h* 0.281734 0.066578 0.044239 0 0 0
+001 h* 0.281760 0.116262 0.015643 0 0 0
+016 o* 0.532919 0.546333 0.568623 0 0 0
+001 h* 0.503175 0.544532 0.581300 0 0 0
+001 h* 0.523509 0.546995 0.547749 0 0 0
+016 o* 0.858643 0.382549 0.148445 0 0 0
+001 h* 0.886681 0.409598 0.139083 0 0 0
+001 h* 0.853118 0.350971 0.132586 0 0 0
+016 o* 0.641116 0.566075 0.460153 0 0 0
+001 h* 0.651653 0.540573 0.477932 0 0 0
+001 h* 0.612680 0.542207 0.450245 0 0 0
+016 o* 0.787766 0.494614 0.362126 0 0 0
+001 h* 0.787071 0.509990 0.381340 0 0 0
+001 h* 0.819998 0.469622 0.360175 0 0 0
+016 o* 0.548354 0.595868 0.130507 0 0 0
+001 h* 0.509638 0.609467 0.132900 0 0 0
+001 h* 0.548406 0.551659 0.140052 0 0 0
+016 o* 0.915532 0.959628 0.207868 0 0 0
+001 h* 0.907809 0.939786 0.187925 0 0 0
+001 h* 0.888742 0.995375 0.204044 0 0 0
+016 o* 0.767554 0.734008 0.536115 0 0 0
+001 h* 0.762693 0.779192 0.527010 0 0 0
+001 h* 0.802324 0.719188 0.528684 0 0 0
+016 o* 0.033354 0.854110 0.353097 0 0 0
+001 h* 0.063281 0.869107 0.365856 0 0 0
+001 h* 0.011705 0.822887 0.363602 0 0 0
+016 o* 0.600345 0.464203 0.147271 0 0 0
+001 h* 0.612127 0.458464 0.167537 0 0 0
+001 h* 0.579255 0.420883 0.145147 0 0 0
+016 o* 0.173917 0.641881 0.396898 0 0 0
+001 h* 0.213737 0.647940 0.395810 0 0 0
+001 h* 0.164538 0.600677 0.409171 0 0 0
+016 o* 0.529710 0.109475 0.373919 0 0 0
+001 h* 0.527359 0.092381 0.353769 0 0 0
+001 h* 0.500046 0.088918 0.383360 0 0 0
+016 o* 0.417454 0.484990 0.121478 0 0 0
+001 h* 0.435852 0.522025 0.112917 0 0 0
+001 h* 0.436445 0.469822 0.138655 0 0 0
+016 o* 0.388973 0.821952 0.584893 0 0 0
+001 h* 0.399286 0.857302 0.572345 0 0 0
+001 h* 0.367400 0.792203 0.574179 0 0 0
+016 o* 0.574312 0.991118 0.523118 0 0 0
+001 h* 0.605231 0.014975 0.529920 0 0 0
+001 h* 0.587849 0.965793 0.507419 0 0 0
+016 o* 0.496455 0.441472 0.503376 0 0 0
+001 h* 0.523179 0.480250 0.504679 0 0 0
+001 h* 0.514766 0.398521 0.506129 0 0 0
+016 o* 0.574025 0.514070 0.286340 0 0 0
+001 h* 0.594416 0.484939 0.299710 0 0 0
+001 h* 0.575911 0.558983 0.295278 0 0 0
+016 o* 0.678159 0.191123 0.036216 0 0 0
+001 h* 0.679388 0.200125 0.014852 0 0 0
+001 h* 0.691438 0.143226 0.039044 0 0 0
+016 o* 0.763671 0.805369 0.190316 0 0 0
+001 h* 0.756201 0.759450 0.185617 0 0 0
+001 h* 0.802674 0.808014 0.191678 0 0 0
+016 o* 0.434375 0.973445 0.335914 0 0 0
+001 h* 0.433375 0.975679 0.357529 0 0 0
+001 h* 0.419662 0.930127 0.330880 0 0 0
+016 o* 0.954945 0.527877 0.299025 0 0 0
+001 h* 0.981758 0.550638 0.287482 0 0 0
+001 h* 0.957088 0.478145 0.294335 0 0 0
+016 o* 0.557530 0.320770 0.388933 0 0 0
+001 h* 0.536719 0.335125 0.372114 0 0 0
+001 h* 0.541143 0.334625 0.406775 0 0 0
+016 o* 0.641833 0.190819 0.524872 0 0 0
+001 h* 0.667488 0.161423 0.514135 0 0 0
+001 h* 0.608200 0.172119 0.518108 0 0 0
+016 o* 0.679809 0.473230 0.363783 0 0 0
+001 h* 0.681524 0.424907 0.368986 0 0 0
+001 h* 0.714409 0.476930 0.354655 0 0 0
+016 o* 0.166663 0.201459 0.087785 0 0 0
+001 h* 0.164108 0.192629 0.066719 0 0 0
+001 h* 0.198313 0.171946 0.090913 0 0 0
+016 o* 0.133854 0.710722 0.466238 0 0 0
+001 h* 0.155542 0.746838 0.458104 0 0 0
+001 h* 0.101220 0.705866 0.454113 0 0 0
+016 o* 0.061167 0.414868 0.239170 0 0 0
+001 h* 0.081836 0.386666 0.225226 0 0 0
+001 h* 0.038316 0.447521 0.229190 0 0 0
+016 o* 0.454937 0.178195 0.158812 0 0 0
+001 h* 0.439203 0.152115 0.174778 0 0 0
+001 h* 0.451186 0.223822 0.164081 0 0 0
+016 o* 0.428189 0.938753 0.092024 0 0 0
+001 h* 0.399161 0.916533 0.101841 0 0 0
+001 h* 0.409316 0.949621 0.074598 0 0 0
+016 o* 0.034875 0.240341 0.523610 0 0 0
+001 h* 0.067400 0.218439 0.518297 0 0 0
+001 h* 0.011417 0.211443 0.512476 0 0 0
+016 o* 0.883410 0.085644 0.423973 0 0 0
+001 h* 0.889477 0.053319 0.408421 0 0 0
+001 h* 0.906528 0.124164 0.419474 0 0 0
+016 o* 0.535802 0.151850 0.236246 0 0 0
+001 h* 0.501807 0.172406 0.231065 0 0 0
+001 h* 0.539627 0.108695 0.225837 0 0 0
+016 o* 0.210317 0.913163 0.385031 0 0 0
+001 h* 0.225578 0.937004 0.401280 0 0 0
+001 h* 0.237630 0.898079 0.372498 0 0 0
+016 o* 0.270898 0.151403 0.340781 0 0 0
+001 h* 0.258160 0.132058 0.359232 0 0 0
+001 h* 0.236568 0.162833 0.331676 0 0 0
+016 o* 0.209300 0.274477 0.585551 0 0 0
+001 h* 0.173344 0.291860 0.583357 0 0 0
+001 h* 0.208265 0.247465 0.604274 0 0 0
+016 o* 0.978283 0.742072 0.578202 0 0 0
+001 h* 0.994331 0.785941 0.579937 0 0 0
+001 h* 0.987315 0.719769 0.560153 0 0 0
+016 o* 0.425061 0.217270 0.055334 0 0 0
+001 h* 0.445073 0.234887 0.072441 0 0 0
+001 h* 0.426402 0.259399 0.043875 0 0 0
+016 o* 0.318276 0.516895 0.128465 0 0 0
+001 h* 0.302000 0.534217 0.110063 0 0 0
+001 h* 0.355682 0.505358 0.123580 0 0 0
+016 o* 0.671537 0.664549 0.167903 0 0 0
+001 h* 0.656171 0.679470 0.149422 0 0 0
+001 h* 0.660196 0.614255 0.167389 0 0 0
+016 o* 0.756617 0.116586 0.374025 0 0 0
+001 h* 0.719781 0.097557 0.370849 0 0 0
+001 h* 0.766078 0.097169 0.392797 0 0 0
+016 o* 0.809696 0.733939 0.129109 0 0 0
+001 h* 0.789091 0.698616 0.120471 0 0 0
+001 h* 0.825480 0.703232 0.143279 0 0 0
+016 o* 0.005322 0.016203 0.185708 0 0 0
+001 h* 0.030943 0.002038 0.202009 0 0 0
+001 h* 0.974829 0.984624 0.189189 0 0 0
+016 o* 0.905929 0.902867 0.158478 0 0 0
+001 h* 0.875611 0.905584 0.145220 0 0 0
+001 h* 0.938310 0.884739 0.148038 0 0 0
+016 o* 0.833213 0.185002 0.467119 0 0 0
+001 h* 0.846308 0.157948 0.483998 0 0 0
+001 h* 0.863539 0.203494 0.455573 0 0 0
+016 o* 0.525036 0.245611 0.033178 0 0 0
+001 h* 0.552052 0.283028 0.032170 0 0 0
+001 h* 0.495784 0.254300 0.018726 0 0 0
+016 o* 0.486728 0.315074 0.265951 0 0 0
+001 h* 0.485533 0.364978 0.269672 0 0 0
+001 h* 0.522005 0.303659 0.273183 0 0 0
+016 o* 0.943844 0.395665 0.292926 0 0 0
+001 h* 0.912554 0.366621 0.296338 0 0 0
+001 h* 0.950956 0.384896 0.273286 0 0 0
+016 o* 0.662473 0.598202 0.370653 0 0 0
+001 h* 0.659818 0.546956 0.366343 0 0 0
+001 h* 0.670074 0.597882 0.391606 0 0 0
+016 o* 0.628600 0.422437 0.087123 0 0 0
+001 h* 0.661039 0.394750 0.086850 0 0 0
+001 h* 0.624422 0.431941 0.107351 0 0 0
+016 o* 0.667864 0.560766 0.122360 0 0 0
+001 h* 0.641363 0.592498 0.115975 0 0 0
+001 h* 0.648063 0.521775 0.128538 0 0 0
+016 o* 0.583235 0.681812 0.067495 0 0 0
+001 h* 0.606617 0.651484 0.056223 0 0 0
+001 h* 0.600242 0.688996 0.086170 0 0 0
+016 o* 0.446668 0.071045 0.203093 0 0 0
+001 h* 0.439278 0.084245 0.222060 0 0 0
+001 h* 0.477399 0.040325 0.205102 0 0 0
+016 o* 0.025978 0.395482 0.589616 0 0 0
+001 h* 0.024066 0.378321 0.608896 0 0 0
+001 h* 0.050076 0.361954 0.580384 0 0 0
+016 o* 0.947071 0.066836 0.289097 0 0 0
+001 h* 0.972360 0.105639 0.287806 0 0 0
+001 h* 0.966299 0.039549 0.303541 0 0 0
+016 o* 0.748616 0.896835 0.034670 0 0 0
+001 h* 0.767570 0.928874 0.046957 0 0 0
+001 h* 0.722491 0.880260 0.047899 0 0 0
+016 o* 0.533442 0.135012 0.062205 0 0 0
+016 o* 0.067820 0.205188 0.231053 0 0 0
+001 h* 0.085949 0.197214 0.211998 0 0 0
+001 h* 0.520459 0.140783 0.081455 0 0 0
+001 h* 0.042171 0.240185 0.224886 0 0 0
+001 h* 0.528484 0.176921 0.051862 0 0 0
+016 o* 0.045456 0.389699 0.493629 0 0 0
+001 h* 0.036447 0.347882 0.503002 0 0 0
+001 h* 0.078397 0.402111 0.504190 0 0 0
+016 o* 0.376076 0.429279 0.190836 0 0 0
+001 h* 0.409915 0.439156 0.180545 0 0 0
+001 h* 0.382896 0.435872 0.211785 0 0 0
+016 o* 0.482002 0.942538 0.216300 0 0 0
+001 h* 0.509855 0.911196 0.212791 0 0 0
+001 h* 0.463019 0.927968 0.233996 0 0 0
+016 o* 0.099264 0.229577 0.281835 0 0 0
+001 h* 0.097784 0.277828 0.288888 0 0 0
+001 h* 0.098475 0.236756 0.260837 0 0 0
+016 o* 0.038742 0.232226 0.422814 0 0 0
+001 h* 0.041529 0.248970 0.402040 0 0 0
+001 h* 0.015141 0.270718 0.429307 0 0 0
+016 o* 0.018945 0.461286 0.124017 0 0 0
+001 h* 0.056695 0.455427 0.129142 0 0 0
+001 h* 0.000607 0.419457 0.131180 0 0 0
+016 o* 0.639560 0.344508 0.256919 0 0 0
+001 h* 0.669716 0.359880 0.244191 0 0 0
+001 h* 0.643169 0.295625 0.258172 0 0 0
+016 o* 0.501257 0.039598 0.104434 0 0 0
+001 h* 0.476175 0.999177 0.105555 0 0 0
+001 h* 0.517449 0.040721 0.085656 0 0 0
+016 o* 0.001242 0.484924 0.207205 0 0 0
+001 h* 0.978798 0.512491 0.218354 0 0 0
+001 h* 0.009931 0.523050 0.193665 0 0 0
+016 o* 0.199214 0.751343 0.182398 0 0 0
+001 h* 0.186847 0.721968 0.166769 0 0 0
+001 h* 0.185151 0.796135 0.178872 0 0 0
+016 o* 0.787701 0.045575 0.255246 0 0 0
+001 h* 0.774025 0.077020 0.241142 0 0 0
+001 h* 0.812561 0.070245 0.267340 0 0 0
+016 o* 0.240202 0.339967 0.406197 0 0 0
+001 h* 0.235080 0.353428 0.425916 0 0 0
+001 h* 0.210359 0.313686 0.400343 0 0 0
+016 o* 0.570348 0.891403 0.289789 0 0 0
+001 h* 0.589773 0.868882 0.305358 0 0 0
+001 h* 0.559605 0.857179 0.275804 0 0 0
+016 o* 0.363643 0.061996 0.312534 0 0 0
+001 h* 0.341044 0.024775 0.306579 0 0 0
+001 h* 0.393227 0.039115 0.321448 0 0 0
+016 o* 0.009221 0.702502 0.224002 0 0 0
+001 h* 0.029232 0.675139 0.238242 0 0 0
+001 h* 0.972995 0.704331 0.232078 0 0 0
+016 o* 0.734507 0.650334 0.057521 0 0 0
+001 h* 0.741837 0.702366 0.061990 0 0 0
+001 h* 0.734181 0.634812 0.078629 0 0 0
+016 o* 0.251887 0.381796 0.256440 0 0 0
+001 h* 0.253235 0.363655 0.236955 0 0 0
+001 h* 0.228354 0.421106 0.251950 0 0 0
+016 o* 0.160915 0.980496 0.173552 0 0 0
+001 h* 0.150155 0.937142 0.182727 0 0 0
+001 h* 0.188411 0.000716 0.186585 0 0 0
+016 o* 0.966604 0.633308 0.155368 0 0 0
+001 h* 0.958684 0.624103 0.135234 0 0 0
+001 h* 0.960168 0.681852 0.157920 0 0 0
+016 o* 0.348872 0.388038 0.583055 0 0 0
+001 h* 0.335011 0.353950 0.570162 0 0 0
+001 h* 0.353332 0.368556 0.602847 0 0 0
+016 o* 0.556594 0.343691 0.154723 0 0 0
+001 h* 0.556703 0.327462 0.174406 0 0 0
+001 h* 0.564026 0.300101 0.144290 0 0 0
+016 o* 0.288300 0.508855 0.411355 0 0 0
+001 h* 0.289167 0.511032 0.389426 0 0 0
+001 h* 0.313290 0.544803 0.415765 0 0 0
+016 o* 0.907991 0.706433 0.238405 0 0 0
+001 h* 0.884425 0.717063 0.254670 0 0 0
+001 h* 0.898667 0.739071 0.224330 0 0 0
+016 o* 0.000668 0.599980 0.407466 0 0 0
+001 h* 0.017163 0.618017 0.425106 0 0 0
+001 h* 0.012173 0.630382 0.390759 0 0 0
+016 o* 0.859726 0.391083 0.201863 0 0 0
+001 h* 0.856543 0.385360 0.181302 0 0 0
+001 h* 0.840677 0.433457 0.203716 0 0 0
+016 o* 0.901014 0.360310 0.390682 0 0 0
+001 h* 0.870553 0.349603 0.377821 0 0 0
+001 h* 0.914856 0.396595 0.377324 0 0 0
+016 o* 0.929317 0.056441 0.488139 0 0 0
+001 h* 0.891905 0.046702 0.490155 0 0 0
+001 h* 0.937143 0.035966 0.469637 0 0 0
+016 o* 0.291339 0.268899 0.162805 0 0 0
+001 h* 0.329355 0.259209 0.166226 0 0 0
+001 h* 0.292277 0.288667 0.142958 0 0 0
+016 o* 0.766161 0.195822 0.585288 0 0 0
+001 h* 0.802324 0.200379 0.580736 0 0 0
+001 h* 0.765562 0.201734 0.606392 0 0 0
+016 o* 0.230537 0.342879 0.202917 0 0 0
+001 h* 0.247401 0.309846 0.189894 0 0 0
+001 h* 0.242178 0.389373 0.195345 0 0 0
+016 o* 0.103249 0.598481 0.231667 0 0 0
+001 h* 0.132105 0.631833 0.229144 0 0 0
+001 h* 0.081256 0.603707 0.214935 0 0 0
+016 o* 0.440477 0.987417 0.037993 0 0 0
+001 h* 0.446287 0.977698 0.017480 0 0 0
+001 h* 0.419847 0.029282 0.038819 0 0 0
+016 o* 0.176712 0.463692 0.248273 0 0 0
+001 h* 0.164951 0.469153 0.269231 0 0 0
+001 h* 0.144266 0.455930 0.237884 0 0 0
+016 o* 0.592497 0.337748 0.030121 0 0 0
+001 h* 0.602927 0.344915 0.010503 0 0 0
+001 h* 0.589016 0.384506 0.038559 0 0 0
+016 o* 0.558226 0.652724 0.257221 0 0 0
+001 h* 0.528142 0.633616 0.245705 0 0 0
+001 h* 0.583497 0.660952 0.241812 0 0 0
+016 o* 0.961964 0.034982 0.536077 0 0 0
+001 h* 0.983421 0.994501 0.533221 0 0 0
+001 h* 0.949588 0.044654 0.516333 0 0 0
+016 o* 0.756200 0.765516 0.072011 0 0 0
+001 h* 0.730011 0.801684 0.076504 0 0 0
+001 h* 0.777905 0.764081 0.089813 0 0 0
+016 o* 0.046176 0.082088 0.245700 0 0 0
+001 h* 0.058882 0.129972 0.239936 0 0 0
+001 h* 0.068564 0.072268 0.262462 0 0 0
+016 o* 0.380279 0.588014 0.504636 0 0 0
+001 h* 0.345312 0.611934 0.506521 0 0 0
+001 h* 0.401892 0.613077 0.518711 0 0 0
+016 o* 0.797237 0.717481 0.248351 0 0 0
+001 h* 0.785370 0.746839 0.233278 0 0 0
+001 h* 0.815052 0.747157 0.262641 0 0 0
+016 o* 0.452864 0.902056 0.269095 0 0 0
+001 h* 0.477584 0.887024 0.283373 0 0 0
+001 h* 0.432241 0.861055 0.263238 0 0 0
+016 o* 0.397656 0.249212 0.584126 0 0 0
+001 h* 0.383807 0.263920 0.565323 0 0 0
+001 h* 0.433774 0.261575 0.588968 0 0 0
+016 o* 0.669188 0.279919 0.187680 0 0 0
+001 h* 0.674042 0.289208 0.166156 0 0 0
+001 h* 0.632188 0.268078 0.190457 0 0 0
+016 o* 0.096807 0.711659 0.583543 0 0 0
+001 h* 0.081145 0.665064 0.582285 0 0 0
+001 h* 0.079754 0.734137 0.567983 0 0 0
+016 o* 0.717420 0.360981 0.225412 0 0 0
+001 h* 0.699146 0.349227 0.207324 0 0 0
+001 h* 0.731329 0.316061 0.230840 0 0 0
+016 o* 0.984844 0.760252 0.031358 0 0 0
+001 h* 0.962938 0.722006 0.038747 0 0 0
+001 h* 0.997132 0.740519 0.013182 0 0 0
+016 o* 0.655473 0.182643 0.582183 0 0 0
+001 h* 0.650312 0.191024 0.562584 0 0 0
+001 h* 0.692643 0.170287 0.582852 0 0 0
+016 o* 0.121118 0.661004 0.155199 0 0 0
+001 h* 0.104961 0.682903 0.137625 0 0 0
+001 h* 0.145410 0.631168 0.145450 0 0 0
+016 o* 0.305782 0.522992 0.281776 0 0 0
+001 h* 0.275999 0.538774 0.269828 0 0 0
+001 h* 0.310130 0.558904 0.295852 0 0 0
+016 o* 0.243017 0.273203 0.533008 0 0 0
+001 h* 0.235949 0.282627 0.553665 0 0 0
+001 h* 0.219527 0.305099 0.522371 0 0 0
+016 o* 0.761378 0.204487 0.181706 0 0 0
+001 h* 0.788787 0.228954 0.192421 0 0 0
+001 h* 0.727471 0.227468 0.182880 0 0 0
+016 o* 0.080256 0.702125 0.313480 0 0 0
+001 h* 0.094948 0.748065 0.311913 0 0 0
+001 h* 0.042212 0.712425 0.310213 0 0 0
+016 o* 0.771527 0.721575 0.436317 0 0 0
+001 h* 0.748881 0.680873 0.440543 0 0 0
+001 h* 0.748174 0.744380 0.422103 0 0 0
+016 o* 0.010410 0.757616 0.461554 0 0 0
+001 h* 0.980427 0.778016 0.452686 0 0 0
+001 h* 0.026290 0.793864 0.473475 0 0 0
+016 o* 0.958977 0.314482 0.540794 0 0 0
+001 h* 0.930648 0.323881 0.525888 0 0 0
+001 h* 0.988618 0.292812 0.531326 0 0 0
+016 o* 0.541755 0.872418 0.566758 0 0 0
+001 h* 0.565181 0.899337 0.555075 0 0 0
+001 h* 0.566299 0.847598 0.578628 0 0 0
+016 o* 0.666895 0.719072 0.560659 0 0 0
+001 h* 0.656834 0.756938 0.572166 0 0 0
+001 h* 0.702812 0.733237 0.554083 0 0 0
+016 o* 0.626555 0.723953 0.372769 0 0 0
+001 h* 0.637646 0.680318 0.365898 0 0 0
+001 h* 0.602677 0.716173 0.388455 0 0 0
+016 o* 0.601821 0.929456 0.477177 0 0 0
+001 h* 0.631768 0.899593 0.475205 0 0 0
+001 h* 0.578148 0.911447 0.462800 0 0 0
+016 o* 0.443433 0.661343 0.533331 0 0 0
+001 h* 0.440639 0.659398 0.554398 0 0 0
+001 h* 0.454850 0.708605 0.528372 0 0 0
+016 o* 0.038932 0.555453 0.270364 0 0 0
+001 h* 0.052742 0.513546 0.280162 0 0 0
+001 h* 0.067259 0.574195 0.258101 0 0 0
+016 o* 0.773189 0.070973 0.426250 0 0 0
+001 h* 0.810208 0.069614 0.431583 0 0 0
+001 h* 0.752593 0.032504 0.434020 0 0 0
+016 o* 0.422270 0.343414 0.032378 0 0 0
+001 h* 0.407819 0.335561 0.013124 0 0 0
+001 h* 0.442650 0.387323 0.033352 0 0 0
+016 o* 0.862113 0.201749 0.527930 0 0 0
+001 h* 0.844456 0.240697 0.518216 0 0 0
+001 h* 0.858797 0.207289 0.548987 0 0 0
+016 o* 0.683493 0.111677 0.489250 0 0 0
+001 h* 0.667405 0.079556 0.475667 0 0 0
+001 h* 0.698022 0.141948 0.475088 0 0 0
+016 o* 0.428616 0.371827 0.374014 0 0 0
+001 h* 0.393008 0.389153 0.378442 0 0 0
+001 h* 0.446515 0.376464 0.392211 0 0 0
+016 o* 0.864699 0.287388 0.109006 0 0 0
+001 h* 0.885384 0.247101 0.109777 0 0 0
+001 h* 0.844174 0.280615 0.091322 0 0 0
+016 o* 0.222277 0.001795 0.587169 0 0 0
+001 h* 0.212313 0.988314 0.607405 0 0 0
+001 h* 0.252180 0.972207 0.581791 0 0 0
+016 o* 0.163349 0.170758 0.324429 0 0 0
+001 h* 0.166832 0.209959 0.337381 0 0 0
+001 h* 0.144581 0.188514 0.308565 0 0 0
+016 o* 0.018215 0.010651 0.450982 0 0 0
+001 h* 0.031460 0.055037 0.456222 0 0 0
+001 h* 0.019369 0.018917 0.430219 0 0 0
+016 o* 0.198853 0.725258 0.576513 0 0 0
+001 h* 0.204683 0.721810 0.597262 0 0 0
+001 h* 0.160274 0.724524 0.577762 0 0 0
+016 o* 0.109196 0.304385 0.580902 0 0 0
+001 h* 0.083967 0.263983 0.583165 0 0 0
+001 h* 0.112441 0.324826 0.599854 0 0 0
+016 o* 0.297148 0.166467 0.584058 0 0 0
+001 h* 0.285378 0.202772 0.571176 0 0 0
+001 h* 0.308801 0.187847 0.601944 0 0 0
+016 o* 0.496770 0.310419 0.471673 0 0 0
+001 h* 0.534212 0.294824 0.471334 0 0 0
+001 h* 0.482290 0.281341 0.487865 0 0 0
+016 o* 0.875393 0.747574 0.509943 0 0 0
+001 h* 0.894554 0.786583 0.519687 0 0 0
+001 h* 0.867000 0.768899 0.491265 0 0 0
+016 o* 0.796420 0.459374 0.077046 0 0 0
+001 h* 0.819363 0.458954 0.093826 0 0 0
+001 h* 0.818620 0.449851 0.060417 0 0 0
+016 o* 0.169388 0.529848 0.427924 0 0 0
+001 h* 0.142274 0.516266 0.441158 0 0 0
+001 h* 0.201328 0.528297 0.439784 0 0 0
+016 o* 0.932615 0.134683 0.224280 0 0 0
+001 h* 0.927301 0.174950 0.238142 0 0 0
+001 h* 0.959351 0.106211 0.232379 0 0 0
+016 o* 0.087709 0.903401 0.440315 0 0 0
+001 h* 0.067118 0.944903 0.436000 0 0 0
+001 h* 0.094929 0.893780 0.419407 0 0 0
+016 o* 0.920395 0.225244 0.389594 0 0 0
+001 h* 0.925010 0.276074 0.393599 0 0 0
+001 h* 0.950773 0.218857 0.377301 0 0 0
+016 o* 0.644936 0.341721 0.591594 0 0 0
+001 h* 0.622880 0.337766 0.608851 0 0 0
+001 h* 0.634808 0.386288 0.583374 0 0 0
+016 o* 0.107167 0.358760 0.298302 0 0 0
+001 h* 0.081656 0.376310 0.313632 0 0 0
+001 h* 0.117545 0.398648 0.286943 0 0 0
+016 o* 0.912856 0.571917 0.378166 0 0 0
+001 h* 0.940455 0.569580 0.393062 0 0 0
+001 h* 0.885453 0.602258 0.388292 0 0 0
+016 o* 0.658549 0.707377 0.464641 0 0 0
+001 h* 0.640661 0.683951 0.480750 0 0 0
+001 h* 0.674433 0.672895 0.453228 0 0 0
+016 o* 0.721490 0.369873 0.088500 0 0 0
+001 h* 0.728961 0.337657 0.072545 0 0 0
+001 h* 0.748900 0.408122 0.085031 0 0 0
+016 o* 0.292705 0.437973 0.030481 0 0 0
+001 h* 0.318663 0.406553 0.034717 0 0 0
+001 h* 0.261322 0.423513 0.041216 0 0 0
+016 o* 0.332159 0.384720 0.389438 0 0 0
+001 h* 0.313376 0.419315 0.399484 0 0 0
+001 h* 0.303661 0.352735 0.391433 0 0 0
+016 o* 0.895943 0.611956 0.325795 0 0 0
+001 h* 0.910096 0.574433 0.314835 0 0 0
+001 h* 0.902669 0.602327 0.344964 0 0 0
+016 o* 0.498837 0.393210 0.591102 0 0 0
+001 h* 0.480319 0.434239 0.587323 0 0 0
+001 h* 0.501134 0.376008 0.570992 0 0 0
+016 o* 0.600220 0.439057 0.334526 0 0 0
+001 h* 0.570200 0.452836 0.346152 0 0 0
+001 h* 0.630670 0.432307 0.347610 0 0 0
+016 o* 0.548850 0.217425 0.585901 0 0 0
+001 h* 0.545150 0.246927 0.569347 0 0 0
+001 h* 0.586537 0.209756 0.585839 0 0 0
+016 o* 0.317176 0.823358 0.505716 0 0 0
+001 h* 0.350480 0.819673 0.492559 0 0 0
+001 h* 0.319866 0.867733 0.516474 0 0 0
+016 o* 0.709023 0.879258 0.235815 0 0 0
+001 h* 0.670831 0.877085 0.233607 0 0 0
+001 h* 0.721215 0.853662 0.219419 0 0 0
+016 o* 0.560369 0.032936 0.222148 0 0 0
+001 h* 0.592665 0.036561 0.209828 0 0 0
+001 h* 0.548938 0.984328 0.222782 0 0 0
+016 o* 0.352680 0.866025 0.109889 0 0 0
+001 h* 0.324349 0.887395 0.120698 0 0 0
+001 h* 0.331825 0.851615 0.093683 0 0 0
+016 o* 0.946399 0.365669 0.234772 0 0 0
+001 h* 0.912952 0.383494 0.227652 0 0 0
+001 h* 0.972872 0.388137 0.222894 0 0 0
+016 o* 0.900884 0.144635 0.117296 0 0 0
+001 h* 0.923235 0.130280 0.132560 0 0 0
+001 h* 0.867409 0.126414 0.124832 0 0 0
+016 o* 0.044978 0.597376 0.092253 0 0 0
+001 h* 0.037096 0.559898 0.104505 0 0 0
+001 h* 0.077436 0.583157 0.082083 0 0 0
+016 o* 0.856801 0.118472 0.298448 0 0 0
+001 h* 0.854003 0.129180 0.319311 0 0 0
+001 h* 0.889181 0.088261 0.297134 0 0 0
+016 o* 0.893628 0.620732 0.525949 0 0 0
+001 h* 0.887173 0.670919 0.521521 0 0 0
+001 h* 0.858592 0.601021 0.526517 0 0 0
+016 o* 0.494904 0.850598 0.102574 0 0 0
+001 h* 0.527940 0.873998 0.107943 0 0 0
+001 h* 0.466586 0.887580 0.097366 0 0 0
+016 o* 0.712356 0.958117 0.421815 0 0 0
+001 h* 0.751154 0.947219 0.425034 0 0 0
+001 h* 0.702664 0.934694 0.404273 0 0 0
+016 o* 0.622274 0.087802 0.180112 0 0 0
+001 h* 0.588842 0.106349 0.169233 0 0 0
+001 h* 0.624179 0.040995 0.171683 0 0 0
+016 o* 0.355332 0.774662 0.362159 0 0 0
+001 h* 0.365756 0.741335 0.347516 0 0 0
+001 h* 0.371490 0.760052 0.380244 0 0 0
+016 o* 0.389918 0.097620 0.034058 0 0 0
+001 h* 0.353715 0.108310 0.038746 0 0 0
+001 h* 0.407468 0.137109 0.041939 0 0 0
+016 o* 0.761011 0.244391 0.246207 0 0 0
+001 h* 0.765282 0.238648 0.266858 0 0 0
+001 h* 0.796254 0.247357 0.238462 0 0 0
+016 o* 0.159672 0.315056 0.500870 0 0 0
+001 h* 0.147385 0.354084 0.512739 0 0 0
+001 h* 0.147528 0.330653 0.482585 0 0 0
+016 o* 0.811645 0.123985 0.148950 0 0 0
+001 h* 0.774018 0.115071 0.144113 0 0 0
+001 h* 0.805951 0.163531 0.161370 0 0 0
+016 o* 0.537030 0.790893 0.254327 0 0 0
+001 h* 0.553173 0.746473 0.258493 0 0 0
+001 h* 0.555376 0.810934 0.236619 0 0 0
+016 o* 0.079401 0.540419 0.034965 0 0 0
+001 h* 0.107940 0.569966 0.044486 0 0 0
+001 h* 0.082014 0.547628 0.014510 0 0 0
+016 o* 0.524183 0.925281 0.378983 0 0 0
+001 h* 0.517595 0.941648 0.360256 0 0 0
+001 h* 0.499456 0.951833 0.392347 0 0 0
+016 o* 0.261522 0.812623 0.344237 0 0 0
+001 h* 0.295715 0.792445 0.348839 0 0 0
+001 h* 0.273099 0.845643 0.330694 0 0 0
+016 o* 0.746331 0.000332 0.586402 0 0 0
+001 h* 0.761906 0.032957 0.573820 0 0 0
+001 h* 0.730586 0.964915 0.574749 0 0 0
+016 o* 0.296292 0.169752 0.277319 0 0 0
+001 h* 0.266815 0.199650 0.274704 0 0 0
+001 h* 0.313433 0.172658 0.258590 0 0 0
+016 o* 0.602068 0.797935 0.329697 0 0 0
+001 h* 0.608352 0.778290 0.348881 0 0 0
+001 h* 0.617429 0.764583 0.315822 0 0 0
+016 o* 0.674593 0.571896 0.543376 0 0 0
+001 h* 0.700340 0.595312 0.555581 0 0 0
+001 h* 0.655222 0.541508 0.557400 0 0 0
+016 o* 0.724139 0.358370 0.382877 0 0 0
+001 h* 0.763159 0.349440 0.385990 0 0 0
+001 h* 0.718517 0.317499 0.371906 0 0 0
+016 o* 0.449925 0.242758 0.512084 0 0 0
+001 h* 0.414631 0.260296 0.510541 0 0 0
+001 h* 0.447655 0.193740 0.519872 0 0 0
+016 o* 0.289310 0.498721 0.354105 0 0 0
+001 h* 0.304863 0.466189 0.340492 0 0 0
+001 h* 0.296879 0.542776 0.343553 0 0 0
+016 o* 0.315335 0.036735 0.436924 0 0 0
+001 h* 0.348241 0.015752 0.430760 0 0 0
+001 h* 0.325155 0.082947 0.432083 0 0 0
+016 o* 0.106742 0.736756 0.401115 0 0 0
+001 h* 0.074719 0.712011 0.404678 0 0 0
+001 h* 0.133000 0.700829 0.397828 0 0 0
+016 o* 0.211174 0.908294 0.231749 0 0 0
+001 h* 0.213245 0.956836 0.226820 0 0 0
+001 h* 0.184556 0.887517 0.217684 0 0 0
+016 o* 0.832832 0.578848 0.126589 0 0 0
+001 h* 0.851306 0.560770 0.143411 0 0 0
+001 h* 0.863521 0.583960 0.114099 0 0 0
+016 o* 0.027888 0.637555 0.461023 0 0 0
+001 h* 0.055964 0.628360 0.475709 0 0 0
+001 h* 0.027889 0.688587 0.462979 0 0 0
+016 o* 0.597023 0.371196 0.510045 0 0 0
+001 h* 0.612784 0.407379 0.497841 0 0 0
+001 h* 0.592648 0.334481 0.495992 0 0 0
+016 o* 0.034203 0.403734 0.331786 0 0 0
+001 h* 0.043589 0.447209 0.340803 0 0 0
+001 h* 0.997422 0.400836 0.325570 0 0 0
+016 o* 0.636502 0.988319 0.073061 0 0 0
+001 h* 0.647926 0.030142 0.080981 0 0 0
+001 h* 0.612384 0.999020 0.057476 0 0 0
+016 o* 0.917509 0.643078 0.458583 0 0 0
+001 h* 0.914296 0.638923 0.479048 0 0 0
+001 h* 0.956548 0.647898 0.455992 0 0 0
+016 o* 0.478259 0.773177 0.480992 0 0 0
+001 h* 0.445006 0.797620 0.476158 0 0 0
+001 h* 0.478852 0.788111 0.501305 0 0 0
+016 o* 0.495575 0.757170 0.063141 0 0 0
+001 h* 0.524702 0.725953 0.062186 0 0 0
+001 h* 0.510719 0.792232 0.076710 0 0 0
+016 o* 0.462796 0.632871 0.232577 0 0 0
+001 h* 0.453409 0.667820 0.219613 0 0 0
+001 h* 0.430843 0.618896 0.244998 0 0 0
+016 o* 0.981877 0.488387 0.560498 0 0 0
+001 h* 0.000317 0.452001 0.573127 0 0 0
+001 h* 0.978224 0.466637 0.541698 0 0 0
+016 o* 0.169012 0.742790 0.520288 0 0 0
+001 h* 0.129659 0.738960 0.520287 0 0 0
+001 h* 0.180142 0.736064 0.540200 0 0 0
+016 o* 0.515196 0.430725 0.085464 0 0 0
+001 h* 0.552907 0.426342 0.088544 0 0 0
+001 h* 0.500757 0.411866 0.102939 0 0 0
+016 o* 0.640234 0.044022 0.445751 0 0 0
+001 h* 0.626051 0.007683 0.458201 0 0 0
+001 h* 0.666000 0.019810 0.432859 0 0 0
+016 o* 0.956637 0.906576 0.472280 0 0 0
+001 h* 0.976885 0.869829 0.482086 0 0 0
+001 h* 0.982434 0.943677 0.468003 0 0 0
+016 o* 0.392893 0.458659 0.491282 0 0 0
+001 h* 0.384186 0.507335 0.493431 0 0 0
+001 h* 0.431684 0.446417 0.493526 0 0 0
+016 o* 0.073443 0.145092 0.114800 0 0 0
+001 h* 0.085080 0.105477 0.125685 0 0 0
+001 h* 0.105147 0.146842 0.102017 0 0 0
+016 o* 0.342718 0.294003 0.533990 0 0 0
+001 h* 0.305201 0.274056 0.534839 0 0 0
+001 h* 0.335765 0.325817 0.517704 0 0 0
+016 o* 0.631340 0.768399 0.026188 0 0 0
+001 h* 0.616140 0.734609 0.039145 0 0 0
+001 h* 0.653436 0.802801 0.035618 0 0 0
+016 o* 0.815623 0.975941 0.352625 0 0 0
+001 h* 0.827082 0.959683 0.333324 0 0 0
+001 h* 0.805548 0.023115 0.348644 0 0 0
+016 o* 0.831663 0.002232 0.499849 0 0 0
+001 h* 0.835353 0.978444 0.517720 0 0 0
+001 h* 0.792790 0.004257 0.496251 0 0 0
+016 o* 0.931469 0.961514 0.263236 0 0 0
+001 h* 0.922789 0.961320 0.242613 0 0 0
+001 h* 0.935604 0.010817 0.268037 0 0 0
+016 o* 0.774412 0.854527 0.506039 0 0 0
+001 h* 0.742817 0.859936 0.495290 0 0 0
+001 h* 0.799640 0.835734 0.491543 0 0 0
+016 o* 0.295032 0.776935 0.560545 0 0 0
+001 h* 0.264326 0.744367 0.560897 0 0 0
+001 h* 0.299509 0.790876 0.540381 0 0 0
+016 o* 0.457236 0.773340 0.304749 0 0 0
+001 h* 0.479911 0.764067 0.288903 0 0 0
+001 h* 0.479595 0.767836 0.321391 0 0 0
+016 o* 0.065075 0.571795 0.571477 0 0 0
+001 h* 0.089216 0.534145 0.575697 0 0 0
+001 h* 0.033424 0.543942 0.566501 0 0 0
+016 o* 0.203177 0.316702 0.108178 0 0 0
+001 h* 0.189430 0.270936 0.104658 0 0 0
+001 h* 0.243065 0.316821 0.110989 0 0 0
+016 o* 0.616384 0.461541 0.218637 0 0 0
+001 h* 0.599239 0.425825 0.229701 0 0 0
+001 h* 0.654547 0.454518 0.221134 0 0 0
+016 o* 0.696382 0.131820 0.222038 0 0 0
+001 h* 0.720243 0.170957 0.220256 0 0 0
+001 h* 0.674238 0.124837 0.205795 0 0 0
+016 o* 0.839463 0.802229 0.464768 0 0 0
+001 h* 0.859154 0.818595 0.447751 0 0 0
+001 h* 0.816235 0.766245 0.456629 0 0 0
+016 o* 0.039466 0.053185 0.334623 0 0 0
+001 h* 0.054560 0.043651 0.315641 0 0 0
+001 h* 0.064841 0.033259 0.348064 0 0 0
+016 o* 0.273564 0.275255 0.028990 0 0 0
+001 h* 0.246922 0.303134 0.038224 0 0 0
+001 h* 0.293857 0.245291 0.041891 0 0 0
+016 o* 0.746153 0.637135 0.113022 0 0 0
+001 h* 0.715999 0.607697 0.120133 0 0 0
+001 h* 0.777607 0.608067 0.115185 0 0 0
+016 o* 0.379268 0.074146 0.571416 0 0 0
+001 h* 0.392793 0.086507 0.589771 0 0 0
+001 h* 0.341808 0.088164 0.576499 0 0 0
+016 o* 0.356380 0.298331 0.439039 0 0 0
+001 h* 0.347727 0.320264 0.456984 0 0 0
+001 h* 0.376007 0.332705 0.427965 0 0 0
+016 o* 0.340528 0.769872 0.151301 0 0 0
+001 h* 0.372047 0.761171 0.139785 0 0 0
+001 h* 0.332781 0.810246 0.141591 0 0 0
+016 o* 0.840388 0.809315 0.041309 0 0 0
+001 h* 0.838925 0.813971 0.020432 0 0 0
+001 h* 0.802997 0.794642 0.046904 0 0 0
+016 o* 0.281649 0.663458 0.140318 0 0 0
+001 h* 0.285912 0.621958 0.152780 0 0 0
+001 h* 0.301552 0.698359 0.149815 0 0 0
+016 o* 0.089106 0.012160 0.290712 0 0 0
+001 h* 0.084758 0.961656 0.288786 0 0 0
+001 h* 0.117666 0.022574 0.302997 0 0 0
+016 o* 0.736326 0.013154 0.515713 0 0 0
+001 h* 0.725774 0.056070 0.507706 0 0 0
+001 h* 0.710026 0.987910 0.526929 0 0 0
+016 o* 0.681279 0.842915 0.470162 0 0 0
+001 h* 0.706663 0.855834 0.454672 0 0 0
+001 h* 0.673886 0.793507 0.467606 0 0 0
+016 o* 0.710763 0.065943 0.032044 0 0 0
+001 h* 0.744005 0.044447 0.037560 0 0 0
+001 h* 0.714556 0.067935 0.010674 0 0 0
+016 o* 0.092911 0.018988 0.509086 0 0 0
+001 h* 0.114343 0.995890 0.494356 0 0 0
+001 h* 0.075352 0.057677 0.499967 0 0 0
+016 o* 0.922556 0.252748 0.251314 0 0 0
+001 h* 0.891917 0.266600 0.262885 0 0 0
+001 h* 0.937491 0.298055 0.246335 0 0 0
+016 o* 0.218772 0.851311 0.489257 0 0 0
+001 h* 0.201613 0.815672 0.502106 0 0 0
+001 h* 0.257405 0.850972 0.491832 0 0 0
+016 o* 0.261058 0.672641 0.085183 0 0 0
+001 h* 0.262928 0.677820 0.106384 0 0 0
+001 h* 0.255521 0.626350 0.080316 0 0 0
+016 o* 0.264840 0.597655 0.557017 0 0 0
+001 h* 0.300611 0.599435 0.566403 0 0 0
+001 h* 0.273616 0.622218 0.538982 0 0 0
+016 o* 0.028821 0.226095 0.152265 0 0 0
+001 h* 0.049229 0.204721 0.137086 0 0 0
+001 h* 0.004566 0.192033 0.160319 0 0 0
+016 o* 0.105136 0.489677 0.468072 0 0 0
+001 h* 0.113903 0.535517 0.474738 0 0 0
+001 h* 0.069131 0.479011 0.474635 0 0 0
+016 o* 0.922335 0.865999 0.422723 0 0 0
+001 h* 0.926552 0.882586 0.442207 0 0 0
+001 h* 0.921995 0.905733 0.410915 0 0 0
+016 o* 0.974606 0.724637 0.303474 0 0 0
+001 h* 0.948467 0.756284 0.297442 0 0 0
+001 h* 0.952975 0.687242 0.311820 0 0 0
+016 o* 0.872510 0.485409 0.579416 0 0 0
+001 h* 0.864255 0.485451 0.600330 0 0 0
+001 h* 0.908034 0.498491 0.573022 0 0 0
+016 o* 0.348732 0.165367 0.435648 0 0 0
+001 h* 0.347415 0.216693 0.437814 0 0 0
+001 h* 0.354538 0.144807 0.454667 0 0 0
+016 o* 0.957646 0.134203 0.165792 0 0 0
+001 h* 0.976284 0.090081 0.166361 0 0 0
+001 h* 0.946326 0.145179 0.185524 0 0 0
+016 o* 0.813479 0.023461 0.042660 0 0 0
+001 h* 0.852421 0.024614 0.047711 0 0 0
+001 h* 0.817108 0.008120 0.024156 0 0 0
+016 o* 0.623861 0.488634 0.580277 0 0 0
+001 h* 0.586284 0.496552 0.573667 0 0 0
+001 h* 0.616456 0.480460 0.601103 0 0 0
+016 o* 0.301008 0.236671 0.390352 0 0 0
+001 h* 0.279084 0.262766 0.403836 0 0 0
+001 h* 0.324013 0.209154 0.403500 0 0 0
+016 o* 0.380604 0.619974 0.263168 0 0 0
+001 h* 0.381914 0.660100 0.275092 0 0 0
+001 h* 0.342868 0.610693 0.259281 0 0 0
+016 o* 0.101137 0.833499 0.311260 0 0 0
+001 h* 0.067354 0.842846 0.321731 0 0 0
+001 h* 0.127820 0.825904 0.326405 0 0 0
+016 o* 0.180060 0.452261 0.116246 0 0 0
+001 h* 0.191595 0.405637 0.111620 0 0 0
+001 h* 0.152443 0.446655 0.130964 0 0 0
+016 o* 0.318238 0.947386 0.293037 0 0 0
+001 h* 0.284457 0.921210 0.292160 0 0 0
+001 h* 0.343343 0.910267 0.297924 0 0 0
+016 o* 0.579211 0.669195 0.588067 0 0 0
+001 h* 0.568283 0.625787 0.581526 0 0 0
+001 h* 0.610469 0.678030 0.575671 0 0 0
+016 o* 0.556671 0.876556 0.433447 0 0 0
+001 h* 0.566995 0.885401 0.412792 0 0 0
+001 h* 0.529280 0.840769 0.430771 0 0 0
+016 o* 0.243408 0.548390 0.222435 0 0 0
+001 h* 0.217566 0.518483 0.233272 0 0 0
+001 h* 0.262163 0.518232 0.209247 0 0 0
+016 o* 0.029422 0.203621 0.067819 0 0 0
+001 h* 0.043341 0.181736 0.085461 0 0 0
+001 h* 0.992858 0.183197 0.065929 0 0 0
+016 o* 0.919190 0.844807 0.316491 0 0 0
+001 h* 0.923660 0.889226 0.324062 0 0 0
+001 h* 0.938968 0.815870 0.330226 0 0 0
+016 o* 0.118601 0.019001 0.369582 0 0 0
+001 h* 0.149808 0.047996 0.370786 0 0 0
+001 h* 0.131515 0.974259 0.372839 0 0 0
+016 o* 0.114864 0.401013 0.537017 0 0 0
+001 h* 0.118648 0.442319 0.549531 0 0 0
+001 h* 0.115141 0.361192 0.550690 0 0 0
+016 o* 0.227679 0.233331 0.456956 0 0 0
+001 h* 0.248341 0.239205 0.474513 0 0 0
+001 h* 0.198311 0.263818 0.458014 0 0 0
+016 o* 0.859560 0.141434 0.356897 0 0 0
+001 h* 0.876947 0.173771 0.370222 0 0 0
+001 h* 0.822190 0.150837 0.360099 0 0 0
+016 o* 0.964570 0.957289 0.343617 0 0 0
+001 h* 0.992206 0.989968 0.347399 0 0 0
+001 h* 0.981760 0.914692 0.336747 0 0 0
+016 o* 0.275861 0.463437 0.181233 0 0 0
+001 h* 0.314850 0.451776 0.185180 0 0 0
+001 h* 0.274984 0.474170 0.161454 0 0 0
+016 o* 0.155194 0.598122 0.065805 0 0 0
+001 h* 0.184405 0.589377 0.051141 0 0 0
+001 h* 0.170269 0.602965 0.084123 0 0 0
+016 o* 0.477795 0.270800 0.100670 0 0 0
+001 h* 0.496221 0.261034 0.118483 0 0 0
+001 h* 0.507117 0.288686 0.088565 0 0 0
+016 o* 0.356806 0.879583 0.414495 0 0 0
+001 h* 0.360862 0.856049 0.397011 0 0 0
+001 h* 0.372958 0.922686 0.414697 0 0 0
+016 o* 0.018451 0.020978 0.395663 0 0 0
+001 h* 0.055232 0.020421 0.389494 0 0 0
+001 h* 0.996483 0.049040 0.383469 0 0 0
+016 o* 0.591185 0.274037 0.468248 0 0 0
+001 h* 0.605855 0.307286 0.454230 0 0 0
+001 h* 0.584903 0.229202 0.459438 0 0 0
+016 o* 0.119510 0.413230 0.039746 0 0 0
+001 h* 0.097792 0.373509 0.043461 0 0 0
+001 h* 0.101215 0.456707 0.041983 0 0 0
+016 o* 0.427200 0.909986 0.530641 0 0 0
+001 h* 0.390135 0.928640 0.528929 0 0 0
+001 h* 0.448670 0.924224 0.514552 0 0 0
+016 o* 0.790560 0.290780 0.415158 0 0 0
+001 h* 0.826614 0.272327 0.413293 0 0 0
+001 h* 0.766389 0.252330 0.418393 0 0 0
+016 o* 0.835588 0.272399 0.050244 0 0 0
+001 h* 0.801141 0.291438 0.044594 0 0 0
+001 h* 0.864601 0.297092 0.039943 0 0 0
+016 o* 0.974880 0.332815 0.131641 0 0 0
+001 h* 0.944860 0.305207 0.126225 0 0 0
+001 h* 0.996301 0.302926 0.144682 0 0 0
+016 o* 0.388480 0.687671 0.324782 0 0 0
+001 h* 0.412759 0.714691 0.312161 0 0 0
+001 h* 0.412812 0.660628 0.336378 0 0 0
+016 o* 0.798645 0.418717 0.308937 0 0 0
+001 h* 0.794964 0.467953 0.308099 0 0 0
+001 h* 0.761221 0.402881 0.309945 0 0 0
+016 o* 0.019718 0.904235 0.271343 0 0 0
+001 h* 0.015648 0.857017 0.277384 0 0 0
+001 h* 0.980319 0.916941 0.271892 0 0 0
+016 o* 0.087672 0.915456 0.052654 0 0 0
+001 h* 0.080386 0.921193 0.073401 0 0 0
+001 h* 0.122226 0.935334 0.048560 0 0 0
+016 o* 0.059698 0.960354 0.226216 0 0 0
+001 h* 0.062814 0.007551 0.232524 0 0 0
+001 h* 0.037653 0.937692 0.241744 0 0 0
+016 o* 0.581738 0.030437 0.030977 0 0 0
+001 h* 0.609544 0.059888 0.023391 0 0 0
+001 h* 0.549908 0.060014 0.032224 0 0 0
+016 o* 0.305680 0.613924 0.323041 0 0 0
+001 h* 0.339005 0.636361 0.327162 0 0 0
+001 h* 0.287701 0.647332 0.309714 0 0 0
+016 o* 0.319032 0.208064 0.069581 0 0 0
+001 h* 0.304086 0.167804 0.060630 0 0 0
+001 h* 0.358655 0.201719 0.069496 0 0 0
+016 o* 0.468136 0.615884 0.472693 0 0 0
+001 h* 0.432229 0.604101 0.479651 0 0 0
+001 h* 0.471738 0.663981 0.478653 0 0 0
+016 o* 0.254341 0.685739 0.280328 0 0 0
+001 h* 0.260591 0.729710 0.271991 0 0 0
+001 h* 0.223769 0.671827 0.270543 0 0 0
+016 o* 0.115300 0.608774 0.495279 0 0 0
+001 h* 0.131393 0.598408 0.514378 0 0 0
+001 h* 0.130800 0.652638 0.486883 0 0 0
+016 o* 0.450483 0.841526 0.027545 0 0 0
+001 h* 0.462818 0.803714 0.040372 0 0 0
+001 h* 0.463395 0.885513 0.036094 0 0 0
+016 o* 0.191359 0.308639 0.323338 0 0 0
+001 h* 0.158368 0.329188 0.315622 0 0 0
+001 h* 0.212885 0.341527 0.335040 0 0 0
+016 o* 0.709301 0.592260 0.421976 0 0 0
+001 h* 0.683278 0.570096 0.435517 0 0 0
+001 h* 0.744226 0.566081 0.422966 0 0 0
+016 o* 0.161392 0.167802 0.033437 0 0 0
+001 h* 0.193663 0.152429 0.024189 0 0 0
+001 h* 0.151252 0.195537 0.017285 0 0 0
+016 o* 0.192353 0.186150 0.236436 0 0 0
+001 h* 0.201848 0.219215 0.251906 0 0 0
+001 h* 0.171062 0.207846 0.223419 0 0 0
+016 o* 0.413572 0.482343 0.323003 0 0 0
+001 h* 0.377787 0.464221 0.318824 0 0 0
+001 h* 0.413021 0.509775 0.339624 0 0 0
+016 o* 0.125288 0.872688 0.198025 0 0 0
+001 h* 0.104805 0.834430 0.190953 0 0 0
+001 h* 0.100345 0.899424 0.209656 0 0 0
+016 o* 0.576523 0.141418 0.450488 0 0 0
+016 o* 0.215271 0.377032 0.056644 0 0 0
+001 h* 0.182188 0.395286 0.047633 0 0 0
+001 h* 0.597833 0.101058 0.443735 0 0 0
+001 h* 0.206393 0.351944 0.074323 0 0 0
+001 h* 0.542171 0.139717 0.442789 0 0 0
+016 o* 0.469043 0.142206 0.447893 0 0 0
+001 h* 0.441369 0.172422 0.453734 0 0 0
+001 h* 0.455539 0.111978 0.434025 0 0 0
+016 o* 0.165909 0.571600 0.541276 0 0 0
+001 h* 0.144793 0.571927 0.558781 0 0 0
+001 h* 0.200691 0.582403 0.547199 0 0 0
+016 o* 0.902549 0.640041 0.585161 0 0 0
+001 h* 0.908789 0.621928 0.566502 0 0 0
+001 h* 0.921171 0.684538 0.586939 0 0 0
+016 o* 0.683743 0.855948 0.071643 0 0 0
+001 h* 0.681202 0.844080 0.092157 0 0 0
+001 h* 0.659575 0.895501 0.072413 0 0 0
+016 o* 0.844631 0.261382 0.207872 0 0 0
+001 h* 0.845634 0.308659 0.203571 0 0 0
+001 h* 0.880270 0.255874 0.216604 0 0 0
+016 o* 0.617726 0.656454 0.514299 0 0 0
+001 h* 0.636798 0.624776 0.527135 0 0 0
+001 h* 0.622767 0.697178 0.524623 0 0 0
+016 o* 0.787892 0.587712 0.324674 0 0 0
+001 h* 0.787408 0.553809 0.339926 0 0 0
+001 h* 0.823445 0.607055 0.324513 0 0 0
+016 o* 0.384823 0.862835 0.320165 0 0 0
+001 h* 0.408890 0.836336 0.308568 0 0 0
+001 h* 0.374117 0.823983 0.331748 0 0 0
+016 o* 0.244800 0.594746 0.032325 0 0 0
+001 h* 0.271940 0.629843 0.026083 0 0 0
+001 h* 0.230272 0.575773 0.014038 0 0 0
+016 o* 0.287020 0.120943 0.184129 0 0 0
+001 h* 0.295045 0.085688 0.171114 0 0 0
+001 h* 0.254925 0.144856 0.178400 0 0 0
+016 o* 0.713831 0.147068 0.298628 0 0 0
+001 h* 0.695879 0.107114 0.306012 0 0 0
+001 h* 0.695451 0.165309 0.282186 0 0 0
+016 o* 0.043010 0.849301 0.495172 0 0 0
+001 h* 0.068277 0.866255 0.480319 0 0 0
+001 h* 0.053613 0.876954 0.511650 0 0 0
+016 o* 0.288574 0.671529 0.509062 0 0 0
+001 h* 0.268540 0.657708 0.492972 0 0 0
+001 h* 0.309673 0.713197 0.504405 0 0 0
+016 o* 0.919989 0.835206 0.534973 0 0 0
+001 h* 0.892730 0.868279 0.542743 0 0 0
+001 h* 0.953218 0.849569 0.543620 0 0 0
+016 o* 0.702475 0.295619 0.478573 0 0 0
+001 h* 0.666198 0.288267 0.485103 0 0 0
+001 h* 0.706671 0.255986 0.465397 0 0 0
+016 o* 0.794446 0.220042 0.301524 0 0 0
+001 h* 0.815211 0.178515 0.298549 0 0 0
+001 h* 0.760220 0.194683 0.302108 0 0 0
+016 o* 0.223001 0.853132 0.028888 0 0 0
+001 h* 0.205551 0.898588 0.030390 0 0 0
+001 h* 0.215996 0.841044 0.008222 0 0 0
+016 o* 0.000768 0.509101 0.499290 0 0 0
+001 h* 0.961513 0.502605 0.501098 0 0 0
+001 h* 0.015584 0.463347 0.501661 0 0 0
+016 o* 0.735686 0.305239 0.033458 0 0 0
+001 h* 0.738759 0.319197 0.013069 0 0 0
+001 h* 0.718094 0.260473 0.032770 0 0 0
+016 o* 0.034842 0.122794 0.558019 0 0 0
+001 h* 0.066350 0.093570 0.557615 0 0 0
+001 h* 0.005354 0.099796 0.548039 0 0 0
+016 o* 0.189921 0.122369 0.548178 0 0 0
+001 h* 0.189256 0.079405 0.558109 0 0 0
+001 h* 0.209309 0.155393 0.560304 0 0 0
+016 o* 0.112622 0.882308 0.386288 0 0 0
+001 h* 0.110866 0.831968 0.388729 0 0 0
+001 h* 0.151418 0.889462 0.381934 0 0 0
+016 o* 0.207051 0.173539 0.153827 0 0 0
+001 h* 0.227892 0.215003 0.157696 0 0 0
+001 h* 0.218888 0.152271 0.135960 0 0 0
+016 o* 0.131361 0.422921 0.396887 0 0 0
+001 h* 0.098624 0.440151 0.389955 0 0 0
+001 h* 0.148554 0.459285 0.408063 0 0 0
+016 o* 0.971643 0.496951 0.439451 0 0 0
+001 h* 0.990521 0.533896 0.429487 0 0 0
+001 h* 0.990451 0.505059 0.458486 0 0 0
+016 o* 0.449956 0.643307 0.132700 0 0 0
+001 h* 0.446500 0.668654 0.150777 0 0 0
+001 h* 0.428759 0.666178 0.118430 0 0 0
+016 o* 0.245306 0.470375 0.581583 0 0 0
+001 h* 0.254112 0.511377 0.570969 0 0 0
+001 h* 0.275780 0.440965 0.582545 0 0 0
+016 o* 0.577679 0.693254 0.423680 0 0 0
+001 h* 0.599607 0.712517 0.439196 0 0 0
+001 h* 0.584709 0.643755 0.423938 0 0 0
+016 o* 0.809799 0.153914 0.029233 0 0 0
+001 h* 0.789165 0.120502 0.040751 0 0 0
+001 h* 0.819515 0.196623 0.039687 0 0 0
+016 o* 0.212695 0.909613 0.290224 0 0 0
+001 h* 0.196490 0.907673 0.270751 0 0 0
+001 h* 0.196434 0.942024 0.302397 0 0 0
+016 o* 0.763851 0.001231 0.193461 0 0 0
+001 h* 0.797843 0.027292 0.195477 0 0 0
+001 h* 0.754342 0.983452 0.211517 0 0 0
+016 o* 0.893604 0.981985 0.387261 0 0 0
+001 h* 0.859444 0.989405 0.377173 0 0 0
+001 h* 0.911928 0.967921 0.370391 0 0 0
+016 o* 0.345996 0.875364 0.032246 0 0 0
+001 h* 0.326220 0.850471 0.017111 0 0 0
+001 h* 0.382600 0.860742 0.029886 0 0 0
+016 o* 0.135584 0.604360 0.332394 0 0 0
+001 h* 0.107735 0.637105 0.325416 0 0 0
+001 h* 0.158785 0.634333 0.343888 0 0 0
+016 o* 0.767763 0.551419 0.587092 0 0 0
+001 h* 0.793273 0.530557 0.574425 0 0 0
+001 h* 0.784686 0.591757 0.593733 0 0 0
+016 o* 0.408097 0.712775 0.403199 0 0 0
+001 h* 0.434425 0.702445 0.389050 0 0 0
+001 h* 0.429480 0.735747 0.418553 0 0 0
+016 o* 0.380948 0.285405 0.276986 0 0 0
+001 h* 0.376134 0.324455 0.264690 0 0 0
+001 h* 0.419430 0.284501 0.280523 0 0 0
+016 o* 0.474197 0.441312 0.285639 0 0 0
+001 h* 0.504995 0.468506 0.280831 0 0 0
+001 h* 0.454244 0.459517 0.301852 0 0 0
+016 o* 0.330880 0.946745 0.532140 0 0 0
+001 h* 0.320918 0.934816 0.552360 0 0 0
+001 h* 0.315749 0.992273 0.526470 0 0 0
+016 o* 0.644678 0.610353 0.033905 0 0 0
+001 h* 0.633872 0.590912 0.015030 0 0 0
+001 h* 0.683130 0.621010 0.030555 0 0 0
+016 o* 0.446414 0.242704 0.221926 0 0 0
+001 h* 0.452853 0.276786 0.236909 0 0 0
+001 h* 0.415551 0.216381 0.228639 0 0 0
+016 o* 0.062159 0.123642 0.468104 0 0 0
+001 h* 0.096512 0.140286 0.475648 0 0 0
+001 h* 0.046870 0.158545 0.455308 0 0 0
+016 o* 0.184933 0.588321 0.124699 0 0 0
+001 h* 0.178380 0.541081 0.116070 0 0 0
+001 h* 0.222177 0.584888 0.127346 0 0 0
+016 o* 0.670386 0.466541 0.490992 0 0 0
+001 h* 0.676610 0.479966 0.510932 0 0 0
+001 h* 0.703987 0.455892 0.483665 0 0 0
+016 o* 0.978703 0.519000 0.030835 0 0 0
+001 h* 0.010727 0.539002 0.036956 0 0 0
+001 h* 0.970547 0.475999 0.040789 0 0 0
+016 o* 0.215365 0.004334 0.431295 0 0 0
+001 h* 0.199031 0.994234 0.450444 0 0 0
+001 h* 0.252316 0.017051 0.433449 0 0 0
+035 Cl 0.421145 0.008546 0.398485 0 0 0
+035 Cl 0.586865 0.866436 0.207261 0 0 0
+207 Pb 0.365399 0.190125 0.314449 0 0 0
diff --git a/tools/lmp2cfg/examples/00002.cfg b/tools/lmp2cfg/examples/00002.cfg
new file mode 100644
index 0000000000..6ce19ace5a
--- /dev/null
+++ b/tools/lmp2cfg/examples/00002.cfg
@@ -0,0 +1,2939 @@
+Number of particles = 2898
+#
+
+A = 1.5 Angstrom
+#
+
+H0 (1,1) = 26.05200 A
+H0 (1,2) = 0 A
+H0 (1,3) = 0 A
+#
+
+H0 (2,1) = 0 A
+H0 (2,2) = 20.31200 A
+H0 (2,3) = 0 A
+#
+
+H0 (3,1) = 0 A
+H0 (3,2) = 0 A
+H0 (3,3) = 48.36270 A
+#
+
+eta(1,1) = 0
+eta(1,2) = 0
+eta(1,3) = 0
+eta(2,2) = 0
+eta(2,3) = 0
+eta(3,3) = 0
+#
+
+#
+#
+#
+
+#
+#
+#
+#
+
+#
+#
+#
+027 ao 0.069471 0.138745 0.758946 0 0 0
+027 ao 0.014923 0.129134 0.958809 0 0 0
+016 oh 0.065537 0.049310 0.736631 0 0 0
+016 oh 0.011493 0.043880 0.938154 0 0 0
+016 oh 0.004120 0.167272 0.739140 0 0 0
+016 oh 0.953915 0.159954 0.939738 0 0 0
+016 oh 0.113657 0.176064 0.736360 0 0 0
+016 oh 0.058994 0.173346 0.935437 0 0 0
+016 oh 0.118943 0.092438 0.780086 0 0 0
+016 oh 0.068182 0.079017 0.982121 0 0 0
+016 oh 0.014451 0.091876 0.782924 0 0 0
+016 oh 0.957850 0.091383 0.987173 0 0 0
+016 oh 0.065348 0.214620 0.783817 0 0 0
+016 oh 0.015696 0.203010 0.983689 0 0 0
+027 ao 0.120945 0.012895 0.758200 0 0 0
+027 ao 0.065242 0.999257 0.958369 0 0 0
+001 ho 0.023984 0.044370 0.736240 0 0 0
+001 ho 0.972874 0.048192 0.931861 0 0 0
+001 ho 0.988658 0.213618 0.735208 0 0 0
+001 ho 0.938484 0.207967 0.941570 0 0 0
+027 ao 0.954736 0.124432 0.764203 0 0 0
+027 ao 0.231122 0.121963 0.959199 0 0 0
+001 ho 0.125126 0.183135 0.716471 0 0 0
+001 ho 0.070783 0.172004 0.914858 0 0 0
+001 ho 0.152931 0.119739 0.780065 0 0 0
+001 ho 0.066895 0.077833 0.003058 0 0 0
+001 ho 0.020188 0.040759 0.783168 0 0 0
+001 ho 0.960091 0.046942 0.995755 0 0 0
+001 ho 0.062955 0.210910 0.805351 0 0 0
+001 ho 0.978074 0.213255 0.989022 0 0 0
+016 oh 0.174445 0.035671 0.732305 0 0 0
+016 oh 0.119507 0.028078 0.935080 0 0 0
+016 oh 0.172093 0.221307 0.782502 0 0 0
+016 oh 0.116219 0.216858 0.983536 0 0 0
+016 oh 0.227173 0.164251 0.738278 0 0 0
+016 oh 0.174557 0.164141 0.939145 0 0 0
+016 oh 0.960538 0.041745 0.737554 0 0 0
+016 oh 0.227930 0.049423 0.937412 0 0 0
+016 oh 0.279278 0.197483 0.781590 0 0 0
+016 oh 0.223788 0.198180 0.984443 0 0 0
+016 oh 0.238269 0.077980 0.782891 0 0 0
+016 oh 0.169645 0.074545 0.979940 0 0 0
+001 ho 0.180344 0.031433 0.711708 0 0 0
+001 ho 0.118372 0.042752 0.914415 0 0 0
+027 ao 0.230851 0.244938 0.761344 0 0 0
+027 ao 0.178612 0.243664 0.960307 0 0 0
+001 ho 0.174777 0.213101 0.803946 0 0 0
+001 ho 0.107259 0.172542 0.992473 0 0 0
+001 ho 0.201670 0.127001 0.735577 0 0 0
+001 ho 0.144813 0.130006 0.939344 0 0 0
+001 ho 0.956919 0.039139 0.716595 0 0 0
+001 ho 0.234974 0.049391 0.916145 0 0 0
+001 ho 0.989242 0.223038 0.785827 0 0 0
+001 ho 0.237682 0.222488 0.001565 0 0 0
+001 ho 0.227142 0.078945 0.803728 0 0 0
+001 ho 0.132166 0.084432 0.979921 0 0 0
+027 ao 0.149761 0.004880 0.660095 0 0 0
+027 ao 0.096931 0.005938 0.861127 0 0 0
+016 oh 0.140580 0.181995 0.683623 0 0 0
+016 oh 0.095706 0.170267 0.882884 0 0 0
+016 oh 0.211944 0.039065 0.681228 0 0 0
+016 oh 0.155735 0.039012 0.883281 0 0 0
+016 oh 0.102117 0.057276 0.681860 0 0 0
+016 oh 0.038552 0.045432 0.882570 0 0 0
+016 oh 0.098805 0.216802 0.637958 0 0 0
+016 oh 0.042077 0.217315 0.836252 0 0 0
+016 oh 0.204426 0.217061 0.635788 0 0 0
+016 oh 0.148176 0.210754 0.839372 0 0 0
+016 oh 0.146703 0.082527 0.636130 0 0 0
+016 oh 0.096223 0.086577 0.839539 0 0 0
+027 ao 0.092978 0.132426 0.661624 0 0 0
+027 ao 0.039636 0.132853 0.861563 0 0 0
+001 ho 0.174220 0.171459 0.693809 0 0 0
+001 ho 0.136504 0.164654 0.883622 0 0 0
+001 ho 0.221712 0.086934 0.684124 0 0 0
+001 ho 0.172207 0.083291 0.887982 0 0 0
+027 ao 0.259660 0.244113 0.661265 0 0 0
+027 ao 0.202529 0.246454 0.859276 0 0 0
+001 ho 0.087420 0.052349 0.702292 0 0 0
+001 ho 0.029712 0.032346 0.903060 0 0 0
+001 ho 0.085785 0.221427 0.618796 0 0 0
+001 ho 0.008470 0.242882 0.838525 0 0 0
+001 ho 0.201430 0.168462 0.630053 0 0 0
+001 ho 0.134740 0.164845 0.838605 0 0 0
+001 ho 0.151848 0.092071 0.615828 0 0 0
+001 ho 0.098833 0.096312 0.818022 0 0 0
+016 oh 0.036094 0.160770 0.684508 0 0 0
+016 oh 0.985408 0.166116 0.882525 0 0 0
+016 oh 0.042531 0.095457 0.637316 0 0 0
+016 oh 0.984897 0.094794 0.836847 0 0 0
+016 oh 0.975838 0.048209 0.680052 0 0 0
+016 oh 0.256832 0.040639 0.882212 0 0 0
+016 oh 0.258915 0.164099 0.682500 0 0 0
+016 oh 0.203803 0.157563 0.884032 0 0 0
+016 oh 0.267222 0.078862 0.635449 0 0 0
+016 oh 0.208001 0.077598 0.838068 0 0 0
+016 oh 0.979685 0.212589 0.638679 0 0 0
+016 oh 0.252546 0.201487 0.838603 0 0 0
+001 ho 0.027752 0.166278 0.705832 0 0 0
+001 ho 0.974913 0.162627 0.903238 0 0 0
+027 ao 0.979359 0.128326 0.660386 0 0 0
+027 ao 0.263585 0.119107 0.861070 0 0 0
+001 ho 0.048287 0.102083 0.616643 0 0 0
+001 ho 0.998085 0.095684 0.816933 0 0 0
+001 ho 0.005050 0.013530 0.680709 0 0 0
+001 ho 0.962511 0.016030 0.883788 0 0 0
+001 ho 0.252410 0.172705 0.702623 0 0 0
+001 ho 0.199645 0.172766 0.903666 0 0 0
+001 ho 0.260418 0.079119 0.614500 0 0 0
+001 ho 0.171305 0.097036 0.841189 0 0 0
+001 ho 0.990452 0.230133 0.618649 0 0 0
+001 ho 0.253787 0.200990 0.817422 0 0 0
+027 ao 0.064258 0.384812 0.759005 0 0 0
+027 ao 0.009508 0.377876 0.958336 0 0 0
+016 oh 0.069901 0.300042 0.738526 0 0 0
+016 oh 0.014360 0.301182 0.933546 0 0 0
+016 oh 0.007279 0.415013 0.736560 0 0 0
+016 oh 0.948968 0.411296 0.938172 0 0 0
+016 oh 0.118115 0.424001 0.739652 0 0 0
+016 oh 0.051836 0.429198 0.935666 0 0 0
+016 oh 0.118830 0.343241 0.782168 0 0 0
+016 oh 0.068936 0.339227 0.978298 0 0 0
+016 oh 0.014056 0.336067 0.781176 0 0 0
+016 oh 0.956899 0.334089 0.980224 0 0 0
+016 oh 0.065295 0.462145 0.783801 0 0 0
+016 oh 0.011867 0.447529 0.984846 0 0 0
+027 ao 0.121544 0.263628 0.760857 0 0 0
+027 ao 0.066454 0.256469 0.956969 0 0 0
+001 ho 0.040602 0.278149 0.728126 0 0 0
+001 ho 0.977035 0.301950 0.926959 0 0 0
+001 ho 0.994954 0.460478 0.731868 0 0 0
+001 ho 0.931291 0.456527 0.940486 0 0 0
+027 ao 0.951122 0.364413 0.760078 0 0 0
+027 ao 0.225405 0.371151 0.959039 0 0 0
+001 ho 0.123842 0.425331 0.718847 0 0 0
+001 ho 0.056171 0.424021 0.914174 0 0 0
+001 ho 0.149641 0.373142 0.777812 0 0 0
+001 ho 0.089131 0.380879 0.984513 0 0 0
+001 ho 0.034122 0.292594 0.782085 0 0 0
+001 ho 0.960431 0.297375 0.995377 0 0 0
+001 ho 0.060056 0.462943 0.805403 0 0 0
+001 ho 0.014131 0.481753 0.000135 0 0 0
+016 oh 0.180262 0.282578 0.736018 0 0 0
+016 oh 0.123773 0.283431 0.937333 0 0 0
+016 oh 0.173682 0.467786 0.783960 0 0 0
+016 oh 0.118665 0.465928 0.982492 0 0 0
+016 oh 0.233740 0.416891 0.738398 0 0 0
+016 oh 0.173550 0.407038 0.935301 0 0 0
+016 oh 0.951247 0.288379 0.736094 0 0 0
+016 oh 0.228084 0.294368 0.933381 0 0 0
+016 oh 0.287764 0.447162 0.783608 0 0 0
+016 oh 0.225610 0.450508 0.979365 0 0 0
+016 oh 0.238795 0.328170 0.782593 0 0 0
+016 oh 0.182090 0.323923 0.983159 0 0 0
+001 ho 0.186742 0.281404 0.715176 0 0 0
+001 ho 0.128947 0.280790 0.917092 0 0 0
+027 ao 0.234261 0.495268 0.760009 0 0 0
+027 ao 0.179193 0.507439 0.959356 0 0 0
+001 ho 0.163374 0.459096 0.804632 0 0 0
+001 ho 0.134067 0.459316 0.002099 0 0 0
+001 ho 0.206619 0.381465 0.738435 0 0 0
+001 ho 0.144217 0.373708 0.934297 0 0 0
+001 ho 0.963647 0.301044 0.715900 0 0 0
+001 ho 0.230897 0.299351 0.911934 0 0 0
+001 ho 0.988917 0.454864 0.792620 0 0 0
+001 ho 0.247409 0.441050 0.996214 0 0 0
+001 ho 0.221246 0.329882 0.801596 0 0 0
+001 ho 0.154918 0.330729 0.998553 0 0 0
+027 ao 0.146909 0.264470 0.661930 0 0 0
+027 ao 0.095618 0.265117 0.857908 0 0 0
+016 oh 0.145626 0.428852 0.681183 0 0 0
+016 oh 0.084026 0.427513 0.883479 0 0 0
+016 oh 0.207428 0.286811 0.679638 0 0 0
+016 oh 0.153420 0.288996 0.881441 0 0 0
+016 oh 0.101694 0.311055 0.684341 0 0 0
+016 oh 0.048324 0.302651 0.879239 0 0 0
+016 oh 0.092802 0.471592 0.636234 0 0 0
+016 oh 0.035233 0.463901 0.838971 0 0 0
+016 oh 0.203379 0.469099 0.632030 0 0 0
+016 oh 0.147718 0.456134 0.838056 0 0 0
+016 oh 0.144796 0.338569 0.637436 0 0 0
+016 oh 0.099141 0.342243 0.835255 0 0 0
+027 ao 0.094326 0.384978 0.659697 0 0 0
+027 ao 0.036152 0.386836 0.861065 0 0 0
+001 ho 0.184445 0.434007 0.684403 0 0 0
+001 ho 0.116017 0.433131 0.895962 0 0 0
+001 ho 0.211023 0.335808 0.682697 0 0 0
+001 ho 0.159089 0.340780 0.883362 0 0 0
+027 ao 0.255060 0.502528 0.654545 0 0 0
+027 ao 0.205536 0.497799 0.858971 0 0 0
+001 ho 0.090825 0.317349 0.703975 0 0 0
+001 ho 0.040873 0.298763 0.900041 0 0 0
+001 ho 0.054344 0.480149 0.630615 0 0 0
+001 ho 0.002530 0.493642 0.842116 0 0 0
+001 ho 0.227100 0.469172 0.615241 0 0 0
+001 ho 0.130705 0.409723 0.837392 0 0 0
+001 ho 0.181994 0.351180 0.631123 0 0 0
+001 ho 0.098695 0.337047 0.814074 0 0 0
+016 oh 0.038720 0.414474 0.682516 0 0 0
+016 oh 0.978972 0.408190 0.884949 0 0 0
+016 oh 0.038490 0.346106 0.638037 0 0 0
+016 oh 0.987563 0.335800 0.838345 0 0 0
+016 oh 0.984469 0.298354 0.683879 0 0 0
+016 oh 0.260193 0.285199 0.881512 0 0 0
+016 oh 0.257372 0.421274 0.679472 0 0 0
+016 oh 0.208589 0.416693 0.885473 0 0 0
+016 oh 0.263948 0.325084 0.634137 0 0 0
+016 oh 0.210386 0.326788 0.837222 0 0 0
+016 oh 0.972600 0.456783 0.636344 0 0 0
+016 oh 0.253881 0.450220 0.837788 0 0 0
+001 ho 0.035597 0.432270 0.702312 0 0 0
+001 ho 0.970436 0.407035 0.905810 0 0 0
+027 ao 0.982210 0.382062 0.660853 0 0 0
+027 ao 0.263505 0.371775 0.861402 0 0 0
+001 ho 0.043142 0.296121 0.633998 0 0 0
+001 ho 0.002170 0.335213 0.817698 0 0 0
+001 ho 0.019660 0.277395 0.680050 0 0 0
+001 ho 0.953042 0.248312 0.880144 0 0 0
+001 ho 0.260747 0.417199 0.700656 0 0 0
+001 ho 0.197546 0.413671 0.906081 0 0 0
+001 ho 0.246757 0.329862 0.615007 0 0 0
+001 ho 0.172210 0.331474 0.832997 0 0 0
+001 ho 0.977719 0.467044 0.615624 0 0 0
+001 ho 0.252139 0.453124 0.817021 0 0 0
+027 ao 0.065408 0.630463 0.764076 0 0 0
+027 ao 0.015314 0.627571 0.960431 0 0 0
+016 oh 0.067238 0.543530 0.739638 0 0 0
+016 oh 0.014540 0.551992 0.938069 0 0 0
+016 oh 0.000223 0.661563 0.737269 0 0 0
+016 oh 0.955864 0.659280 0.935118 0 0 0
+016 oh 0.105871 0.673002 0.739013 0 0 0
+016 oh 0.063613 0.679136 0.938168 0 0 0
+016 oh 0.124969 0.587320 0.782414 0 0 0
+016 oh 0.068194 0.587960 0.982570 0 0 0
+016 oh 0.012984 0.590823 0.785615 0 0 0
+016 oh 0.959191 0.592278 0.982888 0 0 0
+016 oh 0.063499 0.715472 0.783518 0 0 0
+016 oh 0.009697 0.708468 0.983098 0 0 0
+027 ao 0.120888 0.504529 0.760876 0 0 0
+027 ao 0.072368 0.499122 0.958467 0 0 0
+001 ho 0.031368 0.526700 0.733469 0 0 0
+001 ho 0.976769 0.543108 0.930992 0 0 0
+001 ho 0.997116 0.711163 0.739710 0 0 0
+001 ho 0.943982 0.707093 0.932188 0 0 0
+027 ao 0.950973 0.618017 0.757386 0 0 0
+027 ao 0.234463 0.629875 0.958709 0 0 0
+001 ho 0.122160 0.672212 0.719035 0 0 0
+001 ho 0.077085 0.689796 0.918216 0 0 0
+001 ho 0.159664 0.565340 0.789333 0 0 0
+001 ho 0.075416 0.629667 0.993896 0 0 0
+001 ho 0.010227 0.540130 0.788408 0 0 0
+001 ho 0.966552 0.571291 0.001649 0 0 0
+001 ho 0.052229 0.706670 0.802979 0 0 0
+001 ho 0.970731 0.715787 0.982797 0 0 0
+016 oh 0.181315 0.531750 0.735580 0 0 0
+016 oh 0.125765 0.531176 0.937324 0 0 0
+016 oh 0.167719 0.711619 0.781892 0 0 0
+016 oh 0.115109 0.718634 0.984187 0 0 0
+016 oh 0.232646 0.656385 0.740574 0 0 0
+016 oh 0.173898 0.667106 0.935863 0 0 0
+016 oh 0.954704 0.534059 0.737565 0 0 0
+016 oh 0.231757 0.544055 0.935965 0 0 0
+016 oh 0.280592 0.703412 0.785452 0 0 0
+016 oh 0.223320 0.705871 0.982865 0 0 0
+016 oh 0.238817 0.573592 0.785605 0 0 0
+016 oh 0.179183 0.582496 0.982468 0 0 0
+001 ho 0.186384 0.529943 0.714145 0 0 0
+001 ho 0.119855 0.535870 0.915981 0 0 0
+027 ao 0.227505 0.740969 0.760204 0 0 0
+027 ao 0.172163 0.741927 0.958283 0 0 0
+001 ho 0.165754 0.659954 0.784464 0 0 0
+001 ho 0.129078 0.730837 0.003381 0 0 0
+001 ho 0.208027 0.618010 0.739890 0 0 0
+001 ho 0.144959 0.633918 0.933043 0 0 0
+001 ho 0.964848 0.541063 0.716476 0 0 0
+001 ho 0.239762 0.537227 0.915208 0 0 0
+001 ho 0.982202 0.718380 0.783098 0 0 0
+001 ho 0.220836 0.713908 0.003531 0 0 0
+001 ho 0.231342 0.573612 0.807400 0 0 0
+001 ho 0.151772 0.619309 0.988333 0 0 0
+027 ao 0.141576 0.515569 0.658374 0 0 0
+027 ao 0.091731 0.507069 0.859265 0 0 0
+016 oh 0.140955 0.690292 0.685824 0 0 0
+016 oh 0.092049 0.682475 0.882071 0 0 0
+016 oh 0.206688 0.540216 0.679179 0 0 0
+016 oh 0.150056 0.534836 0.880424 0 0 0
+016 oh 0.096035 0.559517 0.681393 0 0 0
+016 oh 0.048505 0.559394 0.882777 0 0 0
+016 oh 0.098714 0.718531 0.639246 0 0 0
+016 oh 0.038896 0.710666 0.837458 0 0 0
+016 oh 0.203613 0.719894 0.636328 0 0 0
+016 oh 0.146808 0.713383 0.837087 0 0 0
+016 oh 0.148168 0.597567 0.639716 0 0 0
+016 oh 0.087661 0.584451 0.836425 0 0 0
+027 ao 0.092741 0.643093 0.661049 0 0 0
+027 ao 0.035910 0.632407 0.858129 0 0 0
+001 ho 0.175002 0.669953 0.693085 0 0 0
+001 ho 0.128955 0.665461 0.879757 0 0 0
+001 ho 0.227167 0.582859 0.683773 0 0 0
+001 ho 0.166938 0.581566 0.882075 0 0 0
+027 ao 0.266988 0.746426 0.658317 0 0 0
+027 ao 0.205112 0.741474 0.858275 0 0 0
+001 ho 0.087044 0.543374 0.701428 0 0 0
+001 ho 0.038404 0.558563 0.902993 0 0 0
+001 ho 0.098874 0.710937 0.618501 0 0 0
+001 ho 0.007120 0.741573 0.838605 0 0 0
+001 ho 0.184119 0.675331 0.635628 0 0 0
+001 ho 0.144362 0.713164 0.814747 0 0 0
+001 ho 0.155811 0.585692 0.619602 0 0 0
+001 ho 0.099471 0.589860 0.816773 0 0 0
+016 oh 0.036107 0.676755 0.684964 0 0 0
+016 oh 0.983830 0.660035 0.882187 0 0 0
+016 oh 0.044942 0.610889 0.634694 0 0 0
+016 oh 0.982977 0.585882 0.838153 0 0 0
+016 oh 0.981733 0.545661 0.680064 0 0 0
+016 oh 0.261226 0.535222 0.881108 0 0 0
+016 oh 0.263389 0.667436 0.681027 0 0 0
+016 oh 0.204006 0.655141 0.882834 0 0 0
+016 oh 0.267604 0.585917 0.634234 0 0 0
+016 oh 0.210076 0.576380 0.837462 0 0 0
+016 oh 0.972319 0.711247 0.641636 0 0 0
+016 oh 0.254456 0.692265 0.838126 0 0 0
+001 ho 0.027214 0.679653 0.705455 0 0 0
+001 ho 0.975753 0.656034 0.903687 0 0 0
+027 ao 0.981471 0.632565 0.660561 0 0 0
+027 ao 0.259975 0.619296 0.860247 0 0 0
+001 ho 0.026202 0.616235 0.615386 0 0 0
+001 ho 0.990384 0.594404 0.817034 0 0 0
+001 ho 0.017661 0.531546 0.672743 0 0 0
+001 ho 0.963384 0.506358 0.886508 0 0 0
+001 ho 0.255826 0.672595 0.701708 0 0 0
+001 ho 0.185279 0.663142 0.901890 0 0 0
+001 ho 0.261400 0.616679 0.617367 0 0 0
+001 ho 0.179561 0.607470 0.834965 0 0 0
+001 ho 0.983244 0.738017 0.624081 0 0 0
+001 ho 0.260388 0.692509 0.816478 0 0 0
+027 ao 0.066298 0.884340 0.759866 0 0 0
+027 ao 0.007187 0.881746 0.956820 0 0 0
+016 oh 0.067268 0.798592 0.731322 0 0 0
+016 oh 0.005462 0.797549 0.938171 0 0 0
+016 oh 0.001113 0.909635 0.737991 0 0 0
+016 oh 0.950094 0.913028 0.937090 0 0 0
+016 oh 0.109895 0.930711 0.737576 0 0 0
+016 oh 0.062224 0.916652 0.934563 0 0 0
+016 oh 0.115903 0.833416 0.777420 0 0 0
+016 oh 0.061525 0.832855 0.982822 0 0 0
+016 oh 0.011999 0.830483 0.779271 0 0 0
+016 oh 0.947118 0.848441 0.982631 0 0 0
+016 oh 0.060961 0.955453 0.784474 0 0 0
+016 oh 0.014868 0.955785 0.981781 0 0 0
+027 ao 0.114421 0.753704 0.756507 0 0 0
+027 ao 0.067356 0.757381 0.959389 0 0 0
+001 ho 0.030290 0.810674 0.727245 0 0 0
+001 ho 0.967019 0.785788 0.934916 0 0 0
+001 ho 0.985435 0.952966 0.733000 0 0 0
+001 ho 0.935049 0.959119 0.934205 0 0 0
+027 ao 0.951049 0.866346 0.759164 0 0 0
+027 ao 0.234515 0.872011 0.957812 0 0 0
+001 ho 0.130809 0.942609 0.719121 0 0 0
+001 ho 0.069536 0.910019 0.913784 0 0 0
+001 ho 0.153082 0.853837 0.776521 0 0 0
+001 ho 0.048815 0.826148 0.002466 0 0 0
+001 ho 0.031131 0.787987 0.784619 0 0 0
+001 ho 0.953472 0.807568 0.993713 0 0 0
+001 ho 0.065603 0.954406 0.806727 0 0 0
+001 ho 0.006615 0.962157 0.002791 0 0 0
+016 oh 0.176750 0.773069 0.733427 0 0 0
+016 oh 0.122366 0.787174 0.936199 0 0 0
+016 oh 0.173128 0.976805 0.782947 0 0 0
+016 oh 0.119773 0.952445 0.981268 0 0 0
+016 oh 0.227457 0.912673 0.740954 0 0 0
+016 oh 0.177824 0.909940 0.935898 0 0 0
+016 oh 0.949809 0.789863 0.735006 0 0 0
+016 oh 0.236946 0.792386 0.934878 0 0 0
+016 oh 0.280881 0.950019 0.784425 0 0 0
+016 oh 0.228815 0.950887 0.982491 0 0 0
+016 oh 0.229474 0.816706 0.781732 0 0 0
+016 oh 0.179153 0.829680 0.980834 0 0 0
+001 ho 0.184606 0.782517 0.712666 0 0 0
+001 ho 0.134161 0.791786 0.915800 0 0 0
+027 ao 0.229198 0.999502 0.760893 0 0 0
+027 ao 0.178297 0.993080 0.957810 0 0 0
+001 ho 0.167069 0.968639 0.803432 0 0 0
+001 ho 0.095018 0.914327 0.986281 0 0 0
+001 ho 0.193520 0.885346 0.741783 0 0 0
+001 ho 0.143215 0.888742 0.931867 0 0 0
+001 ho 0.961746 0.799358 0.714620 0 0 0
+001 ho 0.242886 0.798928 0.913838 0 0 0
+001 ho 0.986826 0.943643 0.793976 0 0 0
+001 ho 0.262794 0.946370 0.993511 0 0 0
+001 ho 0.217754 0.815657 0.802232 0 0 0
+001 ho 0.143839 0.848443 0.983223 0 0 0
+027 ao 0.150683 0.763548 0.663458 0 0 0
+027 ao 0.097523 0.758333 0.860174 0 0 0
+016 oh 0.152938 0.926442 0.681970 0 0 0
+016 oh 0.095254 0.925119 0.882458 0 0 0
+016 oh 0.206470 0.798162 0.681783 0 0 0
+016 oh 0.156130 0.784110 0.881738 0 0 0
+016 oh 0.102360 0.815291 0.683060 0 0 0
+016 oh 0.049762 0.804216 0.882844 0 0 0
+016 oh 0.099475 0.966202 0.637672 0 0 0
+016 oh 0.041870 0.963481 0.839951 0 0 0
+016 oh 0.205635 0.960610 0.635744 0 0 0
+016 oh 0.147470 0.959942 0.840241 0 0 0
+016 oh 0.153991 0.841061 0.636276 0 0 0
+016 oh 0.096197 0.835774 0.834167 0 0 0
+027 ao 0.095778 0.887267 0.659873 0 0 0
+027 ao 0.040389 0.882422 0.863659 0 0 0
+001 ho 0.181437 0.896463 0.687636 0 0 0
+001 ho 0.132730 0.924480 0.889492 0 0 0
+001 ho 0.228498 0.839661 0.677969 0 0 0
+001 ho 0.163302 0.833068 0.876629 0 0 0
+027 ao 0.262855 0.992576 0.657811 0 0 0
+027 ao 0.204587 0.992733 0.859184 0 0 0
+001 ho 0.088114 0.798263 0.702465 0 0 0
+001 ho 0.040017 0.793023 0.904319 0 0 0
+001 ho 0.071814 0.002990 0.635973 0 0 0
+001 ho 0.015048 0.999762 0.838972 0 0 0
+001 ho 0.193155 0.913606 0.633118 0 0 0
+001 ho 0.128883 0.916621 0.834793 0 0 0
+001 ho 0.154758 0.847538 0.614338 0 0 0
+001 ho 0.092112 0.830205 0.813032 0 0 0
+016 oh 0.033501 0.924261 0.681628 0 0 0
+016 oh 0.980509 0.906980 0.885777 0 0 0
+016 oh 0.039822 0.848617 0.637438 0 0 0
+016 oh 0.990370 0.844570 0.837267 0 0 0
+016 oh 0.979308 0.795728 0.682544 0 0 0
+016 oh 0.264415 0.786722 0.881940 0 0 0
+016 oh 0.262276 0.913619 0.681669 0 0 0
+016 oh 0.212091 0.912294 0.882334 0 0 0
+016 oh 0.265661 0.827959 0.637910 0 0 0
+016 oh 0.205325 0.823265 0.839114 0 0 0
+016 oh 0.977025 0.959470 0.636676 0 0 0
+016 oh 0.255325 0.947130 0.838784 0 0 0
+001 ho 0.031059 0.924919 0.702757 0 0 0
+001 ho 0.973849 0.901776 0.906714 0 0 0
+027 ao 0.980295 0.878913 0.657891 0 0 0
+027 ao 0.262895 0.871901 0.859648 0 0 0
+001 ho 0.044081 0.798271 0.635845 0 0 0
+001 ho 0.993599 0.848984 0.816321 0 0 0
+001 ho 0.008184 0.763094 0.688315 0 0 0
+001 ho 0.968063 0.759486 0.883774 0 0 0
+001 ho 0.256646 0.921916 0.702588 0 0 0
+001 ho 0.208180 0.912701 0.903998 0 0 0
+001 ho 0.243913 0.830329 0.620602 0 0 0
+001 ho 0.173199 0.840015 0.829469 0 0 0
+001 ho 0.976276 0.977317 0.616676 0 0 0
+001 ho 0.267417 0.959644 0.818424 0 0 0
+027 ao 0.396282 0.129206 0.756474 0 0 0
+027 ao 0.344908 0.129895 0.959000 0 0 0
+016 oh 0.395987 0.042182 0.738162 0 0 0
+016 oh 0.339595 0.044633 0.936338 0 0 0
+016 oh 0.340409 0.153531 0.736617 0 0 0
+016 oh 0.286017 0.159747 0.938566 0 0 0
+016 oh 0.445836 0.170081 0.736978 0 0 0
+016 oh 0.389309 0.178050 0.935297 0 0 0
+016 oh 0.447526 0.084057 0.780308 0 0 0
+016 oh 0.390619 0.077889 0.979302 0 0 0
+016 oh 0.338909 0.081168 0.782106 0 0 0
+016 oh 0.285614 0.089859 0.983677 0 0 0
+016 oh 0.398157 0.203084 0.782288 0 0 0
+016 oh 0.349981 0.207958 0.981467 0 0 0
+027 ao 0.449159 0.002399 0.760611 0 0 0
+027 ao 0.389638 0.999775 0.959748 0 0 0
+001 ho 0.369236 0.016415 0.726542 0 0 0
+001 ho 0.306973 0.049730 0.923489 0 0 0
+001 ho 0.329208 0.200585 0.730199 0 0 0
+001 ho 0.292323 0.209275 0.942645 0 0 0
+027 ao 0.285762 0.116744 0.760029 0 0 0
+027 ao 0.560673 0.117440 0.960477 0 0 0
+001 ho 0.452929 0.174984 0.715942 0 0 0
+001 ho 0.392183 0.189660 0.914941 0 0 0
+001 ho 0.482995 0.108566 0.773808 0 0 0
+001 ho 0.387465 0.088200 0.999855 0 0 0
+001 ho 0.362838 0.040481 0.784898 0 0 0
+001 ho 0.287789 0.039224 0.980840 0 0 0
+001 ho 0.396754 0.203686 0.803609 0 0 0
+001 ho 0.318962 0.227367 0.991811 0 0 0
+016 oh 0.511154 0.030282 0.736635 0 0 0
+016 oh 0.454363 0.027650 0.937226 0 0 0
+016 oh 0.510923 0.221214 0.781128 0 0 0
+016 oh 0.451926 0.218745 0.982621 0 0 0
+016 oh 0.567535 0.164678 0.736486 0 0 0
+016 oh 0.510664 0.163528 0.937573 0 0 0
+016 oh 0.275692 0.036238 0.737245 0 0 0
+016 oh 0.558731 0.037348 0.938048 0 0 0
+016 oh 0.614629 0.206605 0.783929 0 0 0
+016 oh 0.558695 0.192214 0.983840 0 0 0
+016 oh 0.569051 0.072995 0.779229 0 0 0
+016 oh 0.511675 0.074040 0.981855 0 0 0
+001 ho 0.526416 0.036884 0.716184 0 0 0
+001 ho 0.463649 0.043143 0.917433 0 0 0
+027 ao 0.564976 0.251358 0.759693 0 0 0
+027 ao 0.509208 0.243058 0.958655 0 0 0
+001 ho 0.503157 0.210662 0.802251 0 0 0
+001 ho 0.424277 0.197617 0.994587 0 0 0
+001 ho 0.537779 0.131920 0.734937 0 0 0
+001 ho 0.473359 0.143484 0.937332 0 0 0
+001 ho 0.283641 0.043240 0.716056 0 0 0
+001 ho 0.571272 0.035700 0.917279 0 0 0
+001 ho 0.306352 0.204323 0.796018 0 0 0
+001 ho 0.553597 0.204063 0.004466 0 0 0
+001 ho 0.563307 0.080499 0.800146 0 0 0
+001 ho 0.479432 0.098803 0.987786 0 0 0
+027 ao 0.476862 0.007772 0.660950 0 0 0
+027 ao 0.424024 0.008831 0.861129 0 0 0
+016 oh 0.477969 0.180701 0.684991 0 0 0
+016 oh 0.420119 0.174843 0.881341 0 0 0
+016 oh 0.537478 0.041685 0.682548 0 0 0
+016 oh 0.490191 0.035168 0.880209 0 0 0
+016 oh 0.432864 0.052065 0.684211 0 0 0
+016 oh 0.376060 0.054731 0.882495 0 0 0
+016 oh 0.426993 0.210711 0.640979 0 0 0
+016 oh 0.371140 0.210886 0.838643 0 0 0
+016 oh 0.527465 0.226059 0.640018 0 0 0
+016 oh 0.490369 0.207588 0.834393 0 0 0
+016 oh 0.473717 0.086618 0.637246 0 0 0
+016 oh 0.426627 0.086522 0.835979 0 0 0
+027 ao 0.427377 0.135117 0.663785 0 0 0
+027 ao 0.369021 0.129789 0.861218 0 0 0
+001 ho 0.515840 0.167718 0.685720 0 0 0
+001 ho 0.458921 0.165560 0.883046 0 0 0
+001 ho 0.564409 0.077247 0.685275 0 0 0
+001 ho 0.502617 0.081171 0.886042 0 0 0
+027 ao 0.587770 0.248750 0.659980 0 0 0
+027 ao 0.544955 0.238042 0.860651 0 0 0
+001 ho 0.426979 0.053673 0.705077 0 0 0
+001 ho 0.371871 0.057701 0.904224 0 0 0
+001 ho 0.419668 0.207638 0.620031 0 0 0
+001 ho 0.343362 0.239812 0.830170 0 0 0
+001 ho 0.528816 0.205408 0.620516 0 0 0
+001 ho 0.480311 0.160163 0.830814 0 0 0
+001 ho 0.480295 0.084272 0.616531 0 0 0
+001 ho 0.426164 0.084989 0.814280 0 0 0
+016 oh 0.369690 0.159296 0.684390 0 0 0
+016 oh 0.310625 0.163201 0.884755 0 0 0
+016 oh 0.372287 0.089699 0.635639 0 0 0
+016 oh 0.315928 0.092306 0.839217 0 0 0
+016 oh 0.313352 0.036520 0.679618 0 0 0
+016 oh 0.598662 0.030324 0.884080 0 0 0
+016 oh 0.591305 0.167226 0.684204 0 0 0
+016 oh 0.536749 0.155778 0.881700 0 0 0
+016 oh 0.592583 0.080672 0.639217 0 0 0
+016 oh 0.544424 0.064627 0.835023 0 0 0
+016 oh 0.314449 0.200722 0.640993 0 0 0
+016 oh 0.592354 0.189729 0.837190 0 0 0
+001 ho 0.360646 0.156176 0.705203 0 0 0
+001 ho 0.302213 0.165788 0.905611 0 0 0
+027 ao 0.318223 0.119225 0.660133 0 0 0
+027 ao 0.592205 0.113315 0.857267 0 0 0
+001 ho 0.393528 0.054959 0.626297 0 0 0
+001 ho 0.322869 0.078705 0.819053 0 0 0
+001 ho 0.351093 0.021886 0.683422 0 0 0
+001 ho 0.282046 0.004914 0.887417 0 0 0
+001 ho 0.580457 0.170386 0.704747 0 0 0
+001 ho 0.541078 0.156515 0.902984 0 0 0
+001 ho 0.556932 0.093564 0.633857 0 0 0
+001 ho 0.511380 0.053451 0.825579 0 0 0
+001 ho 0.351668 0.214298 0.640728 0 0 0
+001 ho 0.593848 0.196641 0.815818 0 0 0
+027 ao 0.399215 0.381497 0.759651 0 0 0
+027 ao 0.339559 0.379423 0.957329 0 0 0
+016 oh 0.402145 0.300285 0.736282 0 0 0
+016 oh 0.335308 0.299317 0.933612 0 0 0
+016 oh 0.342871 0.408526 0.737375 0 0 0
+016 oh 0.282354 0.417726 0.934535 0 0 0
+016 oh 0.444538 0.424347 0.738276 0 0 0
+016 oh 0.392895 0.418806 0.934819 0 0 0
+016 oh 0.456471 0.336111 0.781821 0 0 0
+016 oh 0.398718 0.336227 0.975893 0 0 0
+016 oh 0.347561 0.334097 0.783201 0 0 0
+016 oh 0.285173 0.345156 0.979852 0 0 0
+016 oh 0.400159 0.460142 0.781579 0 0 0
+016 oh 0.345360 0.462825 0.979367 0 0 0
+027 ao 0.454709 0.253632 0.759117 0 0 0
+027 ao 0.394566 0.256848 0.956421 0 0 0
+001 ho 0.364830 0.287235 0.739696 0 0 0
+001 ho 0.296444 0.300606 0.930509 0 0 0
+001 ho 0.346649 0.458262 0.734014 0 0 0
+001 ho 0.268445 0.466300 0.937433 0 0 0
+027 ao 0.291167 0.373280 0.759799 0 0 0
+027 ao 0.569997 0.360797 0.958445 0 0 0
+001 ho 0.446837 0.413806 0.716846 0 0 0
+001 ho 0.408105 0.424508 0.915295 0 0 0
+001 ho 0.491334 0.357502 0.780547 0 0 0
+001 ho 0.419181 0.379809 0.972395 0 0 0
+001 ho 0.352107 0.282544 0.781192 0 0 0
+001 ho 0.285200 0.325740 0.998610 0 0 0
+001 ho 0.402894 0.461467 0.803379 0 0 0
+001 ho 0.342704 0.463786 0.000237 0 0 0
+016 oh 0.512072 0.279863 0.733946 0 0 0
+016 oh 0.452979 0.284794 0.934850 0 0 0
+016 oh 0.504764 0.473482 0.782932 0 0 0
+016 oh 0.449037 0.464165 0.981750 0 0 0
+016 oh 0.568474 0.409174 0.736160 0 0 0
+016 oh 0.513949 0.404584 0.940443 0 0 0
+016 oh 0.287289 0.290348 0.736148 0 0 0
+016 oh 0.563939 0.291810 0.934857 0 0 0
+016 oh 0.610662 0.459198 0.782043 0 0 0
+016 oh 0.553752 0.441980 0.986530 0 0 0
+016 oh 0.571874 0.331439 0.783528 0 0 0
+016 oh 0.517174 0.319503 0.980662 0 0 0
+001 ho 0.515572 0.292984 0.712565 0 0 0
+001 ho 0.447996 0.284211 0.913577 0 0 0
+027 ao 0.561749 0.500888 0.758537 0 0 0
+027 ao 0.510557 0.488427 0.959541 0 0 0
+001 ho 0.496777 0.462483 0.803576 0 0 0
+001 ho 0.456711 0.460975 0.002590 0 0 0
+001 ho 0.533046 0.387663 0.736253 0 0 0
+001 ho 0.490017 0.367904 0.933481 0 0 0
+001 ho 0.297547 0.297083 0.715994 0 0 0
+001 ho 0.575313 0.284884 0.914581 0 0 0
+001 ho 0.317047 0.442331 0.796620 0 0 0
+001 ho 0.574184 0.453455 0.004513 0 0 0
+001 ho 0.567657 0.329243 0.804300 0 0 0
+001 ho 0.503329 0.363716 0.987853 0 0 0
+027 ao 0.473151 0.262201 0.662653 0 0 0
+027 ao 0.429564 0.253353 0.857661 0 0 0
+016 oh 0.478447 0.432751 0.682782 0 0 0
+016 oh 0.428837 0.420990 0.885999 0 0 0
+016 oh 0.538914 0.302362 0.681828 0 0 0
+016 oh 0.484566 0.282260 0.879013 0 0 0
+016 oh 0.426973 0.304739 0.685097 0 0 0
+016 oh 0.384578 0.296875 0.884102 0 0 0
+016 oh 0.428063 0.472346 0.638797 0 0 0
+016 oh 0.373325 0.458583 0.840467 0 0 0
+016 oh 0.534551 0.476393 0.634996 0 0 0
+016 oh 0.479502 0.456409 0.839317 0 0 0
+016 oh 0.469950 0.345402 0.639432 0 0 0
+016 oh 0.429986 0.333890 0.837260 0 0 0
+027 ao 0.420391 0.386772 0.661720 0 0 0
+027 ao 0.376814 0.374090 0.864274 0 0 0
+001 ho 0.517872 0.424619 0.684967 0 0 0
+001 ho 0.467137 0.413846 0.889813 0 0 0
+001 ho 0.548465 0.352115 0.684311 0 0 0
+001 ho 0.500695 0.329722 0.878784 0 0 0
+027 ao 0.590771 0.504634 0.656907 0 0 0
+027 ao 0.536540 0.496762 0.858503 0 0 0
+001 ho 0.417751 0.302272 0.706599 0 0 0
+001 ho 0.368269 0.290651 0.902683 0 0 0
+001 ho 0.430033 0.479802 0.617693 0 0 0
+001 ho 0.337783 0.478218 0.845118 0 0 0
+001 ho 0.524661 0.439628 0.620836 0 0 0
+001 ho 0.466595 0.406563 0.836864 0 0 0
+001 ho 0.485514 0.346993 0.619343 0 0 0
+001 ho 0.435524 0.337364 0.816233 0 0 0
+016 oh 0.365676 0.415909 0.681124 0 0 0
+016 oh 0.318562 0.409994 0.881465 0 0 0
+016 oh 0.367183 0.350090 0.634831 0 0 0
+016 oh 0.321295 0.338082 0.839607 0 0 0
+016 oh 0.308683 0.293172 0.681715 0 0 0
+016 oh 0.594551 0.288650 0.881588 0 0 0
+016 oh 0.590787 0.421017 0.682835 0 0 0
+016 oh 0.538336 0.401203 0.882783 0 0 0
+016 oh 0.592420 0.328326 0.635582 0 0 0
+016 oh 0.545650 0.324503 0.837032 0 0 0
+016 oh 0.309642 0.461729 0.635030 0 0 0
+016 oh 0.585061 0.452452 0.835704 0 0 0
+001 ho 0.360386 0.400803 0.701432 0 0 0
+001 ho 0.311314 0.413378 0.903593 0 0 0
+027 ao 0.310480 0.378043 0.653495 0 0 0
+027 ao 0.592684 0.370853 0.857749 0 0 0
+001 ho 0.383266 0.310980 0.623635 0 0 0
+001 ho 0.329153 0.341952 0.819556 0 0 0
+001 ho 0.344832 0.274190 0.680840 0 0 0
+001 ho 0.288077 0.249310 0.880980 0 0 0
+001 ho 0.584299 0.412997 0.704562 0 0 0
+001 ho 0.537742 0.401360 0.903565 0 0 0
+001 ho 0.554721 0.329177 0.630041 0 0 0
+001 ho 0.512553 0.320498 0.826571 0 0 0
+001 ho 0.344324 0.486046 0.635183 0 0 0
+001 ho 0.596002 0.451521 0.814838 0 0 0
+027 ao 0.396236 0.634222 0.757306 0 0 0
+027 ao 0.346315 0.632995 0.957135 0 0 0
+016 oh 0.393782 0.545141 0.736397 0 0 0
+016 oh 0.344734 0.550578 0.931896 0 0 0
+016 oh 0.336682 0.667935 0.740093 0 0 0
+016 oh 0.281922 0.673220 0.936891 0 0 0
+016 oh 0.442895 0.675911 0.732785 0 0 0
+016 oh 0.394678 0.673066 0.934537 0 0 0
+016 oh 0.449623 0.591517 0.778897 0 0 0
+016 oh 0.395694 0.582810 0.977779 0 0 0
+016 oh 0.343456 0.589488 0.784679 0 0 0
+016 oh 0.288215 0.592104 0.978329 0 0 0
+016 oh 0.401134 0.712071 0.781063 0 0 0
+016 oh 0.347716 0.704741 0.981615 0 0 0
+027 ao 0.452593 0.506058 0.757247 0 0 0
+027 ao 0.399235 0.501830 0.955462 0 0 0
+001 ho 0.352437 0.544455 0.733151 0 0 0
+001 ho 0.306736 0.537343 0.928354 0 0 0
+001 ho 0.325653 0.713396 0.731788 0 0 0
+001 ho 0.270781 0.722129 0.933874 0 0 0
+027 ao 0.285623 0.621850 0.763085 0 0 0
+027 ao 0.566518 0.616543 0.961865 0 0 0
+001 ho 0.451084 0.677341 0.711607 0 0 0
+001 ho 0.406007 0.675716 0.913950 0 0 0
+001 ho 0.484574 0.609650 0.773223 0 0 0
+001 ho 0.430821 0.603474 0.977907 0 0 0
+001 ho 0.360076 0.544988 0.787480 0 0 0
+001 ho 0.289974 0.542172 0.974523 0 0 0
+001 ho 0.390888 0.713701 0.801036 0 0 0
+001 ho 0.344823 0.710904 0.002970 0 0 0
+016 oh 0.508403 0.532896 0.735230 0 0 0
+016 oh 0.458619 0.532558 0.934518 0 0 0
+016 oh 0.505540 0.719750 0.780736 0 0 0
+016 oh 0.453847 0.711675 0.981150 0 0 0
+016 oh 0.565068 0.670750 0.739787 0 0 0
+016 oh 0.514109 0.661540 0.938067 0 0 0
+016 oh 0.290502 0.537697 0.738556 0 0 0
+016 oh 0.566211 0.531949 0.939073 0 0 0
+016 oh 0.620873 0.708659 0.783474 0 0 0
+016 oh 0.560281 0.695858 0.984184 0 0 0
+016 oh 0.567564 0.585575 0.782778 0 0 0
+016 oh 0.511516 0.573234 0.981620 0 0 0
+001 ho 0.521597 0.542304 0.715556 0 0 0
+001 ho 0.462170 0.537887 0.912858 0 0 0
+027 ao 0.563453 0.742250 0.761225 0 0 0
+027 ao 0.517329 0.745291 0.959288 0 0 0
+001 ho 0.499089 0.712796 0.801487 0 0 0
+001 ho 0.449594 0.715616 0.002284 0 0 0
+001 ho 0.533159 0.652656 0.730930 0 0 0
+001 ho 0.481998 0.633223 0.936125 0 0 0
+001 ho 0.279604 0.534338 0.717571 0 0 0
+001 ho 0.576911 0.527787 0.918764 0 0 0
+001 ho 0.317160 0.715901 0.790215 0 0 0
+001 ho 0.580735 0.729784 0.996447 0 0 0
+001 ho 0.554424 0.574670 0.802249 0 0 0
+001 ho 0.507163 0.585726 0.001683 0 0 0
+027 ao 0.478121 0.509962 0.661464 0 0 0
+027 ao 0.427788 0.504956 0.857413 0 0 0
+016 oh 0.481421 0.678975 0.680767 0 0 0
+016 oh 0.425737 0.674664 0.880542 0 0 0
+016 oh 0.539638 0.544040 0.680052 0 0 0
+016 oh 0.483501 0.538855 0.880504 0 0 0
+016 oh 0.430119 0.561963 0.682335 0 0 0
+016 oh 0.381706 0.550841 0.880146 0 0 0
+016 oh 0.422377 0.718727 0.638848 0 0 0
+016 oh 0.368640 0.711963 0.838570 0 0 0
+016 oh 0.540718 0.723955 0.634968 0 0 0
+016 oh 0.477819 0.714258 0.835117 0 0 0
+016 oh 0.479226 0.595082 0.637024 0 0 0
+016 oh 0.428079 0.585379 0.835560 0 0 0
+027 ao 0.426097 0.635230 0.660758 0 0 0
+027 ao 0.369473 0.625578 0.861986 0 0 0
+001 ho 0.520683 0.668625 0.679034 0 0 0
+001 ho 0.463239 0.665232 0.887163 0 0 0
+001 ho 0.556613 0.588702 0.682308 0 0 0
+001 ho 0.500733 0.587536 0.880639 0 0 0
+027 ao 0.595097 0.750407 0.658374 0 0 0
+027 ao 0.536644 0.739211 0.859150 0 0 0
+001 ho 0.421346 0.552461 0.702797 0 0 0
+001 ho 0.375142 0.538335 0.900766 0 0 0
+001 ho 0.396370 0.759763 0.638445 0 0 0
+001 ho 0.333417 0.736698 0.836506 0 0 0
+001 ho 0.550830 0.710192 0.614781 0 0 0
+001 ho 0.459338 0.669205 0.836705 0 0 0
+001 ho 0.517912 0.610774 0.637040 0 0 0
+001 ho 0.428509 0.591443 0.813439 0 0 0
+016 oh 0.364042 0.661160 0.682920 0 0 0
+016 oh 0.315926 0.653609 0.884011 0 0 0
+016 oh 0.376314 0.594625 0.634143 0 0 0
+016 oh 0.319329 0.588118 0.838074 0 0 0
+016 oh 0.312852 0.541199 0.680673 0 0 0
+016 oh 0.587892 0.530371 0.881905 0 0 0
+016 oh 0.586289 0.667149 0.684376 0 0 0
+016 oh 0.539908 0.659571 0.883788 0 0 0
+016 oh 0.599084 0.585020 0.640025 0 0 0
+016 oh 0.538828 0.573728 0.837549 0 0 0
+016 oh 0.312910 0.703197 0.633871 0 0 0
+016 oh 0.585711 0.696073 0.835418 0 0 0
+001 ho 0.364473 0.656285 0.703962 0 0 0
+001 ho 0.310479 0.658954 0.904574 0 0 0
+027 ao 0.317395 0.624428 0.659322 0 0 0
+027 ao 0.592836 0.614844 0.857783 0 0 0
+001 ho 0.397700 0.555994 0.626464 0 0 0
+001 ho 0.323137 0.590078 0.815959 0 0 0
+001 ho 0.339930 0.506838 0.687637 0 0 0
+001 ho 0.290005 0.500042 0.880825 0 0 0
+001 ho 0.586159 0.666514 0.706905 0 0 0
+001 ho 0.539224 0.662985 0.905557 0 0 0
+001 ho 0.598467 0.614823 0.622785 0 0 0
+001 ho 0.501159 0.586354 0.831895 0 0 0
+001 ho 0.343751 0.718854 0.622405 0 0 0
+001 ho 0.596261 0.695794 0.814115 0 0 0
+027 ao 0.391184 0.879593 0.759549 0 0 0
+027 ao 0.349826 0.873733 0.959760 0 0 0
+016 oh 0.393510 0.800223 0.737503 0 0 0
+016 oh 0.345534 0.800208 0.936234 0 0 0
+016 oh 0.335976 0.916370 0.738850 0 0 0
+016 oh 0.287125 0.916763 0.936950 0 0 0
+016 oh 0.443153 0.923143 0.737765 0 0 0
+016 oh 0.389798 0.923801 0.935729 0 0 0
+016 oh 0.449578 0.835708 0.782551 0 0 0
+016 oh 0.399950 0.832472 0.979346 0 0 0
+016 oh 0.337071 0.839359 0.783797 0 0 0
+016 oh 0.288079 0.834745 0.980701 0 0 0
+016 oh 0.394726 0.957379 0.784488 0 0 0
+016 oh 0.339044 0.954617 0.982232 0 0 0
+027 ao 0.453540 0.756839 0.757864 0 0 0
+027 ao 0.404887 0.754403 0.956829 0 0 0
+001 ho 0.356378 0.787070 0.733702 0 0 0
+001 ho 0.306271 0.799446 0.929481 0 0 0
+001 ho 0.317245 0.958043 0.734597 0 0 0
+001 ho 0.299725 0.964329 0.939387 0 0 0
+027 ao 0.279878 0.868190 0.763367 0 0 0
+027 ao 0.565128 0.876702 0.963523 0 0 0
+001 ho 0.452693 0.930990 0.717151 0 0 0
+001 ho 0.398176 0.931881 0.915909 0 0 0
+001 ho 0.484124 0.857716 0.779227 0 0 0
+001 ho 0.413350 0.834896 0.999633 0 0 0
+001 ho 0.355964 0.797497 0.790468 0 0 0
+001 ho 0.286658 0.784299 0.978723 0 0 0
+001 ho 0.388508 0.955946 0.805946 0 0 0
+001 ho 0.339679 0.942299 0.002447 0 0 0
+016 oh 0.505800 0.790109 0.736103 0 0 0
+016 oh 0.461287 0.783747 0.935677 0 0 0
+016 oh 0.503293 0.966323 0.783428 0 0 0
+016 oh 0.443813 0.964131 0.982238 0 0 0
+016 oh 0.562582 0.913179 0.740449 0 0 0
+016 oh 0.508155 0.904942 0.939987 0 0 0
+016 oh 0.287459 0.792458 0.737307 0 0 0
+016 oh 0.570277 0.790858 0.937315 0 0 0
+016 oh 0.614727 0.952474 0.783410 0 0 0
+016 oh 0.550883 0.952808 0.983861 0 0 0
+016 oh 0.567386 0.822782 0.781582 0 0 0
+016 oh 0.520240 0.823624 0.983630 0 0 0
+001 ho 0.509139 0.786963 0.714781 0 0 0
+001 ho 0.461743 0.787914 0.914205 0 0 0
+027 ao 0.559917 0.990522 0.762541 0 0 0
+027 ao 0.504195 0.997912 0.959545 0 0 0
+001 ho 0.494514 0.960047 0.804261 0 0 0
+001 ho 0.451012 0.916057 0.977386 0 0 0
+001 ho 0.528717 0.884696 0.738079 0 0 0
+001 ho 0.482217 0.868651 0.935738 0 0 0
+001 ho 0.288237 0.801513 0.715865 0 0 0
+001 ho 0.575117 0.803201 0.917367 0 0 0
+001 ho 0.317872 0.957822 0.789422 0 0 0
+001 ho 0.559786 0.980389 0.001897 0 0 0
+001 ho 0.554510 0.823314 0.801808 0 0 0
+001 ho 0.497928 0.823916 0.000642 0 0 0
+027 ao 0.478941 0.761801 0.660832 0 0 0
+027 ao 0.424584 0.753744 0.858414 0 0 0
+016 oh 0.476849 0.924502 0.682865 0 0 0
+016 oh 0.425067 0.930784 0.882748 0 0 0
+016 oh 0.535465 0.799677 0.682830 0 0 0
+016 oh 0.486508 0.784671 0.879726 0 0 0
+016 oh 0.424078 0.802587 0.683323 0 0 0
+016 oh 0.381371 0.800645 0.882985 0 0 0
+016 oh 0.429727 0.964466 0.636910 0 0 0
+016 oh 0.368809 0.958789 0.836019 0 0 0
+016 oh 0.534172 0.968387 0.638076 0 0 0
+016 oh 0.475803 0.960994 0.835600 0 0 0
+016 oh 0.474786 0.839931 0.638789 0 0 0
+016 oh 0.425176 0.839192 0.837162 0 0 0
+027 ao 0.424112 0.885294 0.660624 0 0 0
+027 ao 0.371969 0.879939 0.861113 0 0 0
+001 ho 0.513457 0.907502 0.686973 0 0 0
+001 ho 0.459914 0.910539 0.886245 0 0 0
+001 ho 0.561345 0.836135 0.687329 0 0 0
+001 ho 0.508589 0.827433 0.884870 0 0 0
+027 ao 0.589600 0.996132 0.659819 0 0 0
+027 ao 0.539560 0.984717 0.862486 0 0 0
+001 ho 0.415086 0.805442 0.704661 0 0 0
+001 ho 0.363759 0.797129 0.902592 0 0 0
+001 ho 0.443265 0.959740 0.616769 0 0 0
+001 ho 0.332069 0.973313 0.840443 0 0 0
+001 ho 0.513820 0.965584 0.619102 0 0 0
+001 ho 0.464498 0.911829 0.836318 0 0 0
+001 ho 0.474912 0.844497 0.617818 0 0 0
+001 ho 0.435547 0.838925 0.816138 0 0 0
+016 oh 0.370841 0.909053 0.683483 0 0 0
+016 oh 0.318281 0.914559 0.882229 0 0 0
+016 oh 0.373055 0.843257 0.636086 0 0 0
+016 oh 0.318624 0.839065 0.835944 0 0 0
+016 oh 0.317049 0.790059 0.681361 0 0 0
+016 oh 0.590664 0.783368 0.882280 0 0 0
+016 oh 0.592604 0.919464 0.683949 0 0 0
+016 oh 0.537529 0.906193 0.884221 0 0 0
+016 oh 0.594563 0.838932 0.638721 0 0 0
+016 oh 0.542833 0.824176 0.837009 0 0 0
+016 oh 0.316971 0.950253 0.636545 0 0 0
+016 oh 0.589414 0.945095 0.839326 0 0 0
+001 ho 0.360027 0.893364 0.702533 0 0 0
+001 ho 0.311806 0.903784 0.902635 0 0 0
+027 ao 0.316000 0.875045 0.657628 0 0 0
+027 ao 0.592803 0.861906 0.859992 0 0 0
+001 ho 0.377949 0.838830 0.614700 0 0 0
+001 ho 0.324662 0.847406 0.814582 0 0 0
+001 ho 0.353633 0.772437 0.683348 0 0 0
+001 ho 0.294735 0.754410 0.884892 0 0 0
+001 ho 0.584985 0.915123 0.704678 0 0 0
+001 ho 0.534503 0.911270 0.905318 0 0 0
+001 ho 0.556852 0.852807 0.639717 0 0 0
+001 ho 0.505545 0.840577 0.836432 0 0 0
+001 ho 0.350679 0.967448 0.628641 0 0 0
+001 ho 0.591657 0.950557 0.818072 0 0 0
+027 ao 0.732514 0.127996 0.759939 0 0 0
+027 ao 0.669591 0.129981 0.956070 0 0 0
+016 oh 0.731281 0.055955 0.737891 0 0 0
+016 oh 0.684352 0.051774 0.936372 0 0 0
+016 oh 0.671490 0.172937 0.739532 0 0 0
+016 oh 0.612372 0.169175 0.937004 0 0 0
+016 oh 0.780552 0.179580 0.737578 0 0 0
+016 oh 0.722031 0.176619 0.935710 0 0 0
+016 oh 0.786853 0.085181 0.781376 0 0 0
+016 oh 0.730509 0.090272 0.980842 0 0 0
+016 oh 0.675845 0.101754 0.784514 0 0 0
+016 oh 0.621177 0.083594 0.977197 0 0 0
+016 oh 0.733977 0.219265 0.783008 0 0 0
+016 oh 0.662017 0.212498 0.984629 0 0 0
+027 ao 0.784735 0.000707 0.763598 0 0 0
+027 ao 0.733747 0.008773 0.960150 0 0 0
+001 ho 0.697840 0.050015 0.726594 0 0 0
+001 ho 0.660959 0.011640 0.931036 0 0 0
+001 ho 0.657395 0.220760 0.741042 0 0 0
+001 ho 0.595818 0.215925 0.939392 0 0 0
+027 ao 0.620637 0.117987 0.756914 0 0 0
+027 ao 0.905834 0.116618 0.964601 0 0 0
+001 ho 0.796236 0.180066 0.718072 0 0 0
+001 ho 0.736744 0.168337 0.916336 0 0 0
+001 ho 0.818980 0.110093 0.785454 0 0 0
+001 ho 0.758060 0.127657 0.980437 0 0 0
+001 ho 0.663576 0.107080 0.805103 0 0 0
+001 ho 0.627987 0.033614 0.980107 0 0 0
+001 ho 0.731439 0.219867 0.804108 0 0 0
+001 ho 0.625807 0.197073 0.988554 0 0 0
+016 oh 0.850365 0.033263 0.738347 0 0 0
+016 oh 0.793500 0.040731 0.938507 0 0 0
+016 oh 0.844091 0.212740 0.782119 0 0 0
+016 oh 0.784298 0.210263 0.979996 0 0 0
+016 oh 0.898400 0.161274 0.739950 0 0 0
+016 oh 0.847043 0.157297 0.938435 0 0 0
+016 oh 0.626617 0.039037 0.737505 0 0 0
+016 oh 0.900317 0.039335 0.939771 0 0 0
+016 oh 0.953178 0.206530 0.781749 0 0 0
+016 oh 0.894372 0.203816 0.981617 0 0 0
+016 oh 0.912058 0.071183 0.785346 0 0 0
+016 oh 0.850912 0.081480 0.985061 0 0 0
+001 ho 0.841428 0.038098 0.717575 0 0 0
+001 ho 0.801391 0.036429 0.916869 0 0 0
+027 ao 0.897462 0.241278 0.758481 0 0 0
+027 ao 0.843245 0.240250 0.957276 0 0 0
+001 ho 0.829264 0.212106 0.802249 0 0 0
+001 ho 0.788906 0.185746 0.998844 0 0 0
+001 ho 0.866527 0.132993 0.734676 0 0 0
+001 ho 0.816965 0.124327 0.940775 0 0 0
+001 ho 0.623062 0.032558 0.717072 0 0 0
+001 ho 0.904355 0.042184 0.919027 0 0 0
+001 ho 0.648579 0.199901 0.792939 0 0 0
+001 ho 0.909836 0.237046 0.996455 0 0 0
+001 ho 0.892617 0.058736 0.802957 0 0 0
+001 ho 0.834561 0.107157 0.001402 0 0 0
+027 ao 0.815867 0.018204 0.663401 0 0 0
+027 ao 0.760144 0.009228 0.861000 0 0 0
+016 oh 0.813136 0.178509 0.682882 0 0 0
+016 oh 0.756671 0.171434 0.883511 0 0 0
+016 oh 0.873252 0.051799 0.682837 0 0 0
+016 oh 0.822375 0.033430 0.885570 0 0 0
+016 oh 0.767032 0.057777 0.684937 0 0 0
+016 oh 0.716176 0.049570 0.884444 0 0 0
+016 oh 0.761047 0.222988 0.640016 0 0 0
+016 oh 0.699292 0.212841 0.843993 0 0 0
+016 oh 0.867357 0.221263 0.638805 0 0 0
+016 oh 0.808581 0.209274 0.835482 0 0 0
+016 oh 0.813052 0.090594 0.637998 0 0 0
+016 oh 0.760973 0.089435 0.837003 0 0 0
+027 ao 0.759848 0.140510 0.664588 0 0 0
+027 ao 0.703529 0.132029 0.862222 0 0 0
+001 ho 0.851365 0.168928 0.685153 0 0 0
+001 ho 0.793619 0.159300 0.884187 0 0 0
+001 ho 0.892899 0.095125 0.688315 0 0 0
+001 ho 0.829491 0.083869 0.890584 0 0 0
+027 ao 0.928660 0.254187 0.659463 0 0 0
+027 ao 0.865187 0.241344 0.855354 0 0 0
+001 ho 0.762843 0.058685 0.706118 0 0 0
+001 ho 0.703767 0.057439 0.904084 0 0 0
+001 ho 0.733103 0.251586 0.633257 0 0 0
+001 ho 0.659772 0.220984 0.841774 0 0 0
+001 ho 0.856083 0.171194 0.641259 0 0 0
+001 ho 0.788663 0.165397 0.833209 0 0 0
+001 ho 0.828024 0.077013 0.619476 0 0 0
+001 ho 0.761786 0.081713 0.815098 0 0 0
+016 oh 0.694520 0.172238 0.685106 0 0 0
+016 oh 0.646769 0.154590 0.885213 0 0 0
+016 oh 0.708501 0.100315 0.640771 0 0 0
+016 oh 0.656310 0.087546 0.838955 0 0 0
+016 oh 0.644548 0.047809 0.684052 0 0 0
+016 oh 0.928649 0.042475 0.881605 0 0 0
+016 oh 0.927741 0.172868 0.683649 0 0 0
+016 oh 0.872502 0.164448 0.882582 0 0 0
+016 oh 0.930967 0.089956 0.634437 0 0 0
+016 oh 0.874437 0.074729 0.838010 0 0 0
+016 oh 0.638128 0.204954 0.638494 0 0 0
+016 oh 0.919901 0.195637 0.836243 0 0 0
+001 ho 0.685554 0.167420 0.706691 0 0 0
+001 ho 0.640342 0.163887 0.905935 0 0 0
+027 ao 0.649097 0.129487 0.660542 0 0 0
+027 ao 0.924828 0.120741 0.856965 0 0 0
+001 ho 0.724393 0.070976 0.625300 0 0 0
+001 ho 0.663000 0.038248 0.839077 0 0 0
+001 ho 0.676177 0.018403 0.683720 0 0 0
+001 ho 0.631550 0.001708 0.884302 0 0 0
+001 ho 0.928606 0.172139 0.704124 0 0 0
+001 ho 0.867533 0.163467 0.904278 0 0 0
+001 ho 0.930792 0.090968 0.612257 0 0 0
+001 ho 0.842494 0.097089 0.829811 0 0 0
+001 ho 0.650128 0.208080 0.617903 0 0 0
+001 ho 0.933001 0.203377 0.815555 0 0 0
+027 ao 0.736693 0.382362 0.761436 0 0 0
+027 ao 0.677654 0.378908 0.958852 0 0 0
+016 oh 0.734407 0.306072 0.737183 0 0 0
+016 oh 0.679736 0.298702 0.935055 0 0 0
+016 oh 0.672956 0.421620 0.740343 0 0 0
+016 oh 0.622814 0.414706 0.937410 0 0 0
+016 oh 0.787506 0.430775 0.739887 0 0 0
+016 oh 0.721146 0.430401 0.935444 0 0 0
+016 oh 0.788669 0.336725 0.783209 0 0 0
+016 oh 0.735579 0.333515 0.976534 0 0 0
+016 oh 0.681325 0.347038 0.782712 0 0 0
+016 oh 0.623017 0.336949 0.979690 0 0 0
+016 oh 0.734647 0.468421 0.785557 0 0 0
+016 oh 0.681193 0.453942 0.986338 0 0 0
+027 ao 0.789095 0.252180 0.761253 0 0 0
+027 ao 0.732995 0.257616 0.953928 0 0 0
+001 ho 0.705975 0.284994 0.725986 0 0 0
+001 ho 0.648446 0.303268 0.922856 0 0 0
+001 ho 0.666493 0.472523 0.740345 0 0 0
+001 ho 0.606300 0.456749 0.944779 0 0 0
+027 ao 0.617854 0.373888 0.758797 0 0 0
+027 ao 0.898241 0.366275 0.961410 0 0 0
+001 ho 0.797351 0.427526 0.719364 0 0 0
+001 ho 0.735611 0.433379 0.915399 0 0 0
+001 ho 0.826060 0.351110 0.779242 0 0 0
+001 ho 0.760727 0.373448 0.978682 0 0 0
+001 ho 0.688339 0.300086 0.789678 0 0 0
+001 ho 0.633775 0.286058 0.983427 0 0 0
+001 ho 0.721701 0.459596 0.806217 0 0 0
+001 ho 0.660409 0.457384 0.004196 0 0 0
+016 oh 0.846872 0.287369 0.736546 0 0 0
+016 oh 0.789944 0.282434 0.932912 0 0 0
+016 oh 0.847925 0.467336 0.785844 0 0 0
+016 oh 0.786668 0.472544 0.983519 0 0 0
+016 oh 0.900000 0.411590 0.739014 0 0 0
+016 oh 0.843941 0.418403 0.938707 0 0 0
+016 oh 0.619412 0.289549 0.738750 0 0 0
+016 oh 0.896073 0.288700 0.937541 0 0 0
+016 oh 0.954427 0.447644 0.784513 0 0 0
+016 oh 0.893407 0.452007 0.981673 0 0 0
+016 oh 0.904512 0.323770 0.782019 0 0 0
+016 oh 0.846470 0.323155 0.983239 0 0 0
+001 ho 0.847156 0.286436 0.715365 0 0 0
+001 ho 0.794825 0.291247 0.911931 0 0 0
+027 ao 0.903110 0.489579 0.761715 0 0 0
+027 ao 0.845110 0.495000 0.958910 0 0 0
+001 ho 0.835391 0.467470 0.806828 0 0 0
+001 ho 0.786545 0.477690 0.004863 0 0 0
+001 ho 0.864793 0.390449 0.735790 0 0 0
+001 ho 0.808771 0.393821 0.936753 0 0 0
+001 ho 0.616063 0.290969 0.717105 0 0 0
+001 ho 0.896934 0.286309 0.915352 0 0 0
+001 ho 0.637939 0.483704 0.794262 0 0 0
+001 ho 0.931440 0.455441 0.989324 0 0 0
+001 ho 0.899602 0.332418 0.802959 0 0 0
+001 ho 0.825693 0.346666 0.997766 0 0 0
+027 ao 0.815637 0.266658 0.660550 0 0 0
+027 ao 0.756470 0.260676 0.858461 0 0 0
+016 oh 0.808324 0.427438 0.686305 0 0 0
+016 oh 0.759842 0.428311 0.885028 0 0 0
+016 oh 0.874474 0.294969 0.683977 0 0 0
+016 oh 0.819183 0.289755 0.878981 0 0 0
+016 oh 0.768937 0.308783 0.682482 0 0 0
+016 oh 0.711009 0.305453 0.881887 0 0 0
+016 oh 0.761358 0.461135 0.637619 0 0 0
+016 oh 0.707443 0.462596 0.840368 0 0 0
+016 oh 0.866672 0.470359 0.637599 0 0 0
+016 oh 0.816474 0.462756 0.837451 0 0 0
+016 oh 0.817020 0.341334 0.636553 0 0 0
+016 oh 0.759816 0.334281 0.836175 0 0 0
+027 ao 0.755420 0.386589 0.660965 0 0 0
+027 ao 0.706126 0.386667 0.863605 0 0 0
+001 ho 0.846733 0.419410 0.691312 0 0 0
+001 ho 0.798949 0.413637 0.885745 0 0 0
+001 ho 0.891919 0.321149 0.699604 0 0 0
+001 ho 0.835372 0.336412 0.879059 0 0 0
+027 ao 0.926566 0.501110 0.658235 0 0 0
+027 ao 0.877094 0.497521 0.859811 0 0 0
+001 ho 0.758027 0.307987 0.703274 0 0 0
+001 ho 0.700897 0.299349 0.903060 0 0 0
+001 ho 0.763523 0.478355 0.617750 0 0 0
+001 ho 0.676010 0.493210 0.837719 0 0 0
+001 ho 0.854406 0.422861 0.633595 0 0 0
+001 ho 0.809437 0.414971 0.831033 0 0 0
+001 ho 0.828523 0.334747 0.616259 0 0 0
+001 ho 0.773052 0.336932 0.815891 0 0 0
+016 oh 0.701156 0.415777 0.683189 0 0 0
+016 oh 0.645047 0.409170 0.884877 0 0 0
+016 oh 0.708228 0.348816 0.637805 0 0 0
+016 oh 0.647109 0.342671 0.836792 0 0 0
+016 oh 0.642537 0.294408 0.681685 0 0 0
+016 oh 0.925517 0.286406 0.882235 0 0 0
+016 oh 0.931391 0.426968 0.682992 0 0 0
+016 oh 0.869912 0.410424 0.883721 0 0 0
+016 oh 0.931962 0.330360 0.639352 0 0 0
+016 oh 0.872697 0.324036 0.834182 0 0 0
+016 oh 0.644201 0.453856 0.637930 0 0 0
+016 oh 0.923664 0.448449 0.838442 0 0 0
+001 ho 0.695242 0.426439 0.703401 0 0 0
+001 ho 0.643866 0.420283 0.906516 0 0 0
+027 ao 0.644510 0.372688 0.661849 0 0 0
+027 ao 0.931814 0.370887 0.858397 0 0 0
+001 ho 0.698541 0.345912 0.616851 0 0 0
+001 ho 0.661291 0.343470 0.817518 0 0 0
+001 ho 0.671269 0.261323 0.685244 0 0 0
+001 ho 0.629446 0.266652 0.885557 0 0 0
+001 ho 0.931025 0.433297 0.704318 0 0 0
+001 ho 0.861955 0.408746 0.905238 0 0 0
+001 ho 0.913001 0.341849 0.622305 0 0 0
+001 ho 0.847180 0.329234 0.817997 0 0 0
+001 ho 0.681185 0.450684 0.632158 0 0 0
+001 ho 0.930486 0.449903 0.817184 0 0 0
+027 ao 0.727412 0.635416 0.758083 0 0 0
+027 ao 0.673856 0.634185 0.958327 0 0 0
+016 oh 0.736061 0.548200 0.739095 0 0 0
+016 oh 0.685127 0.550181 0.936633 0 0 0
+016 oh 0.671469 0.662388 0.737297 0 0 0
+016 oh 0.615848 0.662854 0.938122 0 0 0
+016 oh 0.778541 0.678432 0.738151 0 0 0
+016 oh 0.724240 0.676863 0.932388 0 0 0
+016 oh 0.787870 0.597984 0.782468 0 0 0
+016 oh 0.739675 0.594640 0.977116 0 0 0
+016 oh 0.674023 0.582887 0.782291 0 0 0
+016 oh 0.623628 0.584609 0.983383 0 0 0
+016 oh 0.728184 0.711820 0.782301 0 0 0
+016 oh 0.678827 0.710833 0.977743 0 0 0
+027 ao 0.791748 0.509193 0.761069 0 0 0
+027 ao 0.733697 0.509420 0.960477 0 0 0
+001 ho 0.700483 0.541792 0.729839 0 0 0
+001 ho 0.661161 0.551047 0.918949 0 0 0
+001 ho 0.658121 0.709002 0.734761 0 0 0
+001 ho 0.597098 0.708700 0.934941 0 0 0
+027 ao 0.617961 0.619939 0.759363 0 0 0
+027 ao 0.906065 0.618887 0.960138 0 0 0
+001 ho 0.791761 0.673847 0.718614 0 0 0
+001 ho 0.733723 0.678031 0.912184 0 0 0
+001 ho 0.808926 0.643286 0.786372 0 0 0
+001 ho 0.769850 0.623700 0.969667 0 0 0
+001 ho 0.696497 0.541155 0.783307 0 0 0
+001 ho 0.621817 0.535404 0.988252 0 0 0
+001 ho 0.732702 0.709632 0.803881 0 0 0
+001 ho 0.650418 0.724082 0.990457 0 0 0
+016 oh 0.846360 0.535653 0.737631 0 0 0
+016 oh 0.793520 0.535740 0.935319 0 0 0
+016 oh 0.839261 0.717730 0.783818 0 0 0
+016 oh 0.789759 0.711412 0.978589 0 0 0
+016 oh 0.894781 0.664735 0.737015 0 0 0
+016 oh 0.846709 0.661175 0.935570 0 0 0
+016 oh 0.614596 0.543081 0.737532 0 0 0
+016 oh 0.904335 0.538650 0.937795 0 0 0
+016 oh 0.945260 0.696256 0.782023 0 0 0
+016 oh 0.900647 0.703075 0.978950 0 0 0
+016 oh 0.909735 0.568823 0.781178 0 0 0
+016 oh 0.853819 0.577456 0.982324 0 0 0
+001 ho 0.858726 0.533790 0.716817 0 0 0
+001 ho 0.802184 0.526531 0.914385 0 0 0
+027 ao 0.897360 0.744210 0.760400 0 0 0
+027 ao 0.848259 0.743833 0.955933 0 0 0
+001 ho 0.842058 0.719828 0.804626 0 0 0
+001 ho 0.772853 0.696857 0.996981 0 0 0
+001 ho 0.863149 0.636638 0.739378 0 0 0
+001 ho 0.820699 0.623556 0.936268 0 0 0
+001 ho 0.618079 0.534138 0.716036 0 0 0
+001 ho 0.911019 0.543821 0.916615 0 0 0
+001 ho 0.657567 0.716004 0.790545 0 0 0
+001 ho 0.891417 0.702380 0.999718 0 0 0
+001 ho 0.899063 0.576998 0.801523 0 0 0
+001 ho 0.834784 0.584434 0.001286 0 0 0
+027 ao 0.810434 0.504315 0.661921 0 0 0
+027 ao 0.763650 0.510017 0.860413 0 0 0
+016 oh 0.809364 0.682127 0.686329 0 0 0
+016 oh 0.762610 0.672866 0.881360 0 0 0
+016 oh 0.872339 0.538028 0.683175 0 0 0
+016 oh 0.820481 0.539813 0.880868 0 0 0
+016 oh 0.762173 0.550978 0.685001 0 0 0
+016 oh 0.714079 0.550177 0.883868 0 0 0
+016 oh 0.760722 0.714354 0.641065 0 0 0
+016 oh 0.711153 0.711228 0.838938 0 0 0
+016 oh 0.865720 0.720842 0.640688 0 0 0
+016 oh 0.817817 0.710750 0.839019 0 0 0
+016 oh 0.814211 0.591196 0.640444 0 0 0
+016 oh 0.758893 0.581995 0.835943 0 0 0
+027 ao 0.761228 0.632690 0.662731 0 0 0
+027 ao 0.704428 0.628261 0.860671 0 0 0
+001 ho 0.847284 0.674092 0.690224 0 0 0
+001 ho 0.794274 0.660061 0.893048 0 0 0
+001 ho 0.883344 0.587486 0.682623 0 0 0
+001 ho 0.826692 0.583742 0.889758 0 0 0
+027 ao 0.922766 0.749457 0.663671 0 0 0
+027 ao 0.877520 0.741380 0.858217 0 0 0
+001 ho 0.759356 0.531652 0.705628 0 0 0
+001 ho 0.713412 0.548045 0.905175 0 0 0
+001 ho 0.770203 0.710076 0.620282 0 0 0
+001 ho 0.680354 0.742206 0.839974 0 0 0
+001 ho 0.861584 0.676873 0.630574 0 0 0
+001 ho 0.811408 0.662206 0.841262 0 0 0
+001 ho 0.848620 0.580514 0.631497 0 0 0
+001 ho 0.759629 0.591371 0.814822 0 0 0
+016 oh 0.703339 0.671849 0.685816 0 0 0
+016 oh 0.648086 0.659253 0.881353 0 0 0
+016 oh 0.710544 0.595999 0.642389 0 0 0
+016 oh 0.652421 0.589027 0.838054 0 0 0
+016 oh 0.652905 0.547799 0.683041 0 0 0
+016 oh 0.933688 0.540885 0.885461 0 0 0
+016 oh 0.924503 0.667104 0.683978 0 0 0
+016 oh 0.877323 0.663672 0.883064 0 0 0
+016 oh 0.931164 0.585008 0.635237 0 0 0
+016 oh 0.875661 0.568555 0.834760 0 0 0
+016 oh 0.643678 0.704061 0.641129 0 0 0
+016 oh 0.924329 0.694356 0.835965 0 0 0
+001 ho 0.701186 0.665360 0.707105 0 0 0
+001 ho 0.641511 0.669963 0.901827 0 0 0
+027 ao 0.655609 0.626214 0.664854 0 0 0
+027 ao 0.932930 0.620073 0.861515 0 0 0
+001 ho 0.705097 0.577922 0.622130 0 0 0
+001 ho 0.657198 0.583471 0.816148 0 0 0
+001 ho 0.686216 0.518939 0.680078 0 0 0
+001 ho 0.615176 0.493703 0.884327 0 0 0
+001 ho 0.918745 0.666604 0.705948 0 0 0
+001 ho 0.868697 0.672137 0.903519 0 0 0
+001 ho 0.924340 0.592781 0.615621 0 0 0
+001 ho 0.841930 0.572703 0.824282 0 0 0
+001 ho 0.669193 0.726376 0.628585 0 0 0
+001 ho 0.931766 0.689030 0.814704 0 0 0
+027 ao 0.729665 0.886370 0.760873 0 0 0
+027 ao 0.678534 0.882932 0.960272 0 0 0
+016 oh 0.733662 0.804883 0.739960 0 0 0
+016 oh 0.679351 0.805267 0.938087 0 0 0
+016 oh 0.671945 0.913878 0.740020 0 0 0
+016 oh 0.619504 0.925717 0.939063 0 0 0
+016 oh 0.781322 0.931105 0.739570 0 0 0
+016 oh 0.729609 0.930694 0.938725 0 0 0
+016 oh 0.785234 0.843971 0.784936 0 0 0
+016 oh 0.733914 0.835001 0.981991 0 0 0
+016 oh 0.675061 0.834337 0.783710 0 0 0
+016 oh 0.627979 0.852965 0.983838 0 0 0
+016 oh 0.728690 0.963873 0.783256 0 0 0
+016 oh 0.681360 0.969858 0.983444 0 0 0
+027 ao 0.788676 0.757330 0.759039 0 0 0
+027 ao 0.733839 0.759624 0.955940 0 0 0
+001 ho 0.694284 0.796796 0.740613 0 0 0
+001 ho 0.643095 0.788911 0.933827 0 0 0
+001 ho 0.661226 0.962532 0.739701 0 0 0
+001 ho 0.603365 0.971950 0.935907 0 0 0
+027 ao 0.617146 0.868099 0.761621 0 0 0
+027 ao 0.894188 0.876790 0.963696 0 0 0
+001 ho 0.797011 0.936906 0.719547 0 0 0
+001 ho 0.740285 0.936307 0.918169 0 0 0
+001 ho 0.819463 0.867083 0.781555 0 0 0
+001 ho 0.737590 0.848543 0.002241 0 0 0
+001 ho 0.694323 0.789171 0.786950 0 0 0
+001 ho 0.627263 0.821132 0.000769 0 0 0
+001 ho 0.716461 0.968302 0.803269 0 0 0
+001 ho 0.670358 0.958426 0.003738 0 0 0
+016 oh 0.846218 0.789664 0.738039 0 0 0
+016 oh 0.794958 0.788285 0.933786 0 0 0
+016 oh 0.838203 0.965316 0.785237 0 0 0
+016 oh 0.787121 0.971522 0.983933 0 0 0
+016 oh 0.900157 0.917412 0.739967 0 0 0
+016 oh 0.847483 0.918700 0.940648 0 0 0
+016 oh 0.620064 0.789397 0.736150 0 0 0
+016 oh 0.902529 0.786126 0.936868 0 0 0
+016 oh 0.950781 0.951784 0.786279 0 0 0
+016 oh 0.889040 0.959230 0.986648 0 0 0
+016 oh 0.903547 0.824556 0.782548 0 0 0
+016 oh 0.841934 0.823171 0.983877 0 0 0
+001 ho 0.847767 0.792591 0.716600 0 0 0
+001 ho 0.793296 0.789987 0.912982 0 0 0
+027 ao 0.897523 0.995072 0.763364 0 0 0
+027 ao 0.842094 0.003402 0.962252 0 0 0
+001 ho 0.831205 0.956936 0.806611 0 0 0
+001 ho 0.771469 0.945581 0.000364 0 0 0
+001 ho 0.867980 0.886116 0.738303 0 0 0
+001 ho 0.810463 0.900187 0.938582 0 0 0
+001 ho 0.623459 0.787802 0.714930 0 0 0
+001 ho 0.907129 0.793778 0.915586 0 0 0
+001 ho 0.648139 0.978697 0.783215 0 0 0
+001 ho 0.908585 0.962152 0.004388 0 0 0
+001 ho 0.898108 0.825839 0.803389 0 0 0
+001 ho 0.804388 0.837772 0.983529 0 0 0
+027 ao 0.812184 0.757606 0.663491 0 0 0
+027 ao 0.766889 0.754037 0.860980 0 0 0
+016 oh 0.820901 0.930997 0.687981 0 0 0
+016 oh 0.759377 0.927676 0.882504 0 0 0
+016 oh 0.872167 0.795046 0.684013 0 0 0
+016 oh 0.827558 0.790431 0.880078 0 0 0
+016 oh 0.767296 0.808526 0.688258 0 0 0
+016 oh 0.718225 0.795603 0.887349 0 0 0
+016 oh 0.762438 0.962066 0.644795 0 0 0
+016 oh 0.701458 0.955390 0.839455 0 0 0
+016 oh 0.870961 0.975269 0.637826 0 0 0
+016 oh 0.814869 0.960529 0.838935 0 0 0
+016 oh 0.813773 0.841125 0.643583 0 0 0
+016 oh 0.761640 0.836576 0.840702 0 0 0
+027 ao 0.767271 0.889216 0.667283 0 0 0
+027 ao 0.708857 0.875553 0.866913 0 0 0
+001 ho 0.857918 0.929183 0.694953 0 0 0
+001 ho 0.796923 0.919683 0.887497 0 0 0
+001 ho 0.876728 0.846483 0.682903 0 0 0
+001 ho 0.844527 0.838658 0.880931 0 0 0
+027 ao 0.925007 0.004033 0.658824 0 0 0
+027 ao 0.873786 0.992483 0.861738 0 0 0
+001 ho 0.754263 0.792361 0.706565 0 0 0
+001 ho 0.706434 0.800542 0.908325 0 0 0
+001 ho 0.755709 0.968826 0.623779 0 0 0
+001 ho 0.666003 0.942004 0.832722 0 0 0
+001 ho 0.870340 0.947813 0.619597 0 0 0
+001 ho 0.799430 0.915059 0.838960 0 0 0
+001 ho 0.847396 0.864771 0.636953 0 0 0
+001 ho 0.763024 0.841575 0.819556 0 0 0
+016 oh 0.703801 0.918178 0.687132 0 0 0
+016 oh 0.644007 0.898862 0.885854 0 0 0
+016 oh 0.704423 0.844561 0.641358 0 0 0
+016 oh 0.653234 0.837041 0.839125 0 0 0
+016 oh 0.642874 0.787184 0.682407 0 0 0
+016 oh 0.934854 0.785233 0.878389 0 0 0
+016 oh 0.927509 0.925220 0.682665 0 0 0
+016 oh 0.870754 0.908542 0.884215 0 0 0
+016 oh 0.929239 0.829694 0.637999 0 0 0
+016 oh 0.877424 0.818029 0.835158 0 0 0
+016 oh 0.645586 0.957253 0.641057 0 0 0
+016 oh 0.918889 0.942428 0.837689 0 0 0
+001 ho 0.688732 0.921741 0.706447 0 0 0
+001 ho 0.632308 0.909693 0.906230 0 0 0
+027 ao 0.652267 0.876079 0.664059 0 0 0
+027 ao 0.931415 0.866284 0.858676 0 0 0
+001 ho 0.719584 0.796140 0.642076 0 0 0
+001 ho 0.666046 0.839281 0.819329 0 0 0
+001 ho 0.670718 0.753256 0.687894 0 0 0
+001 ho 0.624670 0.757498 0.883611 0 0 0
+001 ho 0.934112 0.923996 0.704398 0 0 0
+001 ho 0.876599 0.915300 0.905547 0 0 0
+001 ho 0.909357 0.831912 0.620385 0 0 0
+001 ho 0.842145 0.831792 0.829474 0 0 0
+001 ho 0.683586 0.972220 0.638388 0 0 0
+001 ho 0.926216 0.941066 0.816975 0 0 0
+016 o* 0.052516 0.585469 0.178748 0 0 0
+001 h* 0.017185 0.602521 0.169775 0 0 0
+001 h* 0.079700 0.611974 0.168496 0 0 0
+016 o* 0.296347 0.986426 0.052680 0 0 0
+001 h* 0.308883 0.939950 0.049181 0 0 0
+001 h* 0.307560 0.001927 0.072076 0 0 0
+016 o* 0.261197 0.845212 0.433809 0 0 0
+001 h* 0.247754 0.867371 0.450214 0 0 0
+001 h* 0.295252 0.867612 0.428105 0 0 0
+016 o* 0.729629 0.394501 0.444908 0 0 0
+001 h* 0.726915 0.366714 0.462237 0 0 0
+001 h* 0.750436 0.367691 0.431323 0 0 0
+016 o* 0.129197 0.949761 0.584332 0 0 0
+001 h* 0.161241 0.979950 0.581109 0 0 0
+001 h* 0.119548 0.962195 0.603489 0 0 0
+016 o* 0.075202 0.756472 0.181965 0 0 0
+001 h* 0.090203 0.713360 0.174412 0 0 0
+001 h* 0.045572 0.749684 0.195818 0 0 0
+016 o* 0.634546 0.717606 0.291916 0 0 0
+001 h* 0.617135 0.684106 0.279089 0 0 0
+001 h* 0.672349 0.705743 0.287744 0 0 0
+016 o* 0.998737 0.635634 0.523623 0 0 0
+001 h* 0.961647 0.621128 0.527121 0 0 0
+001 h* 0.017777 0.591517 0.526464 0 0 0
+016 o* 0.643052 0.966998 0.153817 0 0 0
+001 h* 0.638385 0.947886 0.173224 0 0 0
+001 h* 0.673579 0.944370 0.145947 0 0 0
+016 o* 0.808169 0.533674 0.525189 0 0 0
+001 h* 0.794377 0.550796 0.507871 0 0 0
+001 h* 0.786379 0.495587 0.531962 0 0 0
+016 o* 0.526317 0.314339 0.544368 0 0 0
+001 h* 0.556634 0.327541 0.532272 0 0 0
+001 h* 0.509276 0.276387 0.534389 0 0 0
+016 o* 0.479042 0.790702 0.533278 0 0 0
+001 h* 0.505141 0.810114 0.546698 0 0 0
+001 h* 0.449541 0.822876 0.535212 0 0 0
+016 o* 0.921315 0.626483 0.088660 0 0 0
+001 h* 0.958213 0.612300 0.082505 0 0 0
+001 h* 0.907858 0.661663 0.074922 0 0 0
+016 o* 0.915032 0.014207 0.056541 0 0 0
+001 h* 0.951349 0.010003 0.050087 0 0 0
+001 h* 0.910518 0.968103 0.062815 0 0 0
+016 o* 0.584015 0.486868 0.418729 0 0 0
+001 h* 0.600897 0.444426 0.424135 0 0 0
+001 h* 0.568343 0.481028 0.398910 0 0 0
+016 o* 0.871756 0.233081 0.581377 0 0 0
+001 h* 0.867222 0.228448 0.601700 0 0 0
+001 h* 0.876351 0.283321 0.580351 0 0 0
+016 o* 0.131781 0.182232 0.507058 0 0 0
+001 h* 0.153312 0.159605 0.521782 0 0 0
+001 h* 0.146751 0.228545 0.504608 0 0 0
+016 o* 0.657257 0.025032 0.314459 0 0 0
+001 h* 0.677046 0.985051 0.309090 0 0 0
+001 h* 0.628769 0.025455 0.299522 0 0 0
+016 o* 0.694544 0.382387 0.306455 0 0 0
+016 o* 0.605568 0.199346 0.381666 0 0 0
+001 h* 0.687710 0.370084 0.286986 0 0 0
+001 h* 0.575278 0.169333 0.377862 0 0 0
+001 h* 0.587278 0.241146 0.387588 0 0 0
+001 h* 0.676716 0.343679 0.315779 0 0 0
+016 o* 0.795886 0.704088 0.590715 0 0 0
+001 h* 0.833286 0.696320 0.589719 0 0 0
+001 h* 0.780276 0.715143 0.572552 0 0 0
+016 o* 0.262928 0.536787 0.082053 0 0 0
+001 h* 0.252246 0.489119 0.085099 0 0 0
+001 h* 0.258449 0.549200 0.061933 0 0 0
+016 o* 0.815292 0.590735 0.045669 0 0 0
+001 h* 0.783704 0.619746 0.048293 0 0 0
+001 h* 0.807643 0.550267 0.055733 0 0 0
+016 o* 0.556970 0.119475 0.508490 0 0 0
+001 h* 0.553106 0.070427 0.512549 0 0 0
+001 h* 0.560647 0.124944 0.488167 0 0 0
+016 o* 0.180944 0.986339 0.037914 0 0 0
+001 h* 0.157436 0.015917 0.028196 0 0 0
+001 h* 0.211113 0.990525 0.024019 0 0 0
+016 o* 0.028193 0.672297 0.361154 0 0 0
+001 h* 0.049994 0.682976 0.344282 0 0 0
+001 h* 0.995991 0.702334 0.363646 0 0 0
+016 o* 0.351632 0.602106 0.581324 0 0 0
+001 h* 0.373008 0.640899 0.578298 0 0 0
+001 h* 0.355883 0.599809 0.602590 0 0 0
+016 o* 0.998903 0.186839 0.348279 0 0 0
+001 h* 0.997017 0.200124 0.327558 0 0 0
+001 h* 0.011597 0.140931 0.348264 0 0 0
+016 o* 0.865233 0.455056 0.037305 0 0 0
+001 h* 0.896853 0.479447 0.043502 0 0 0
+001 h* 0.872415 0.457103 0.017100 0 0 0
+016 o* 0.778642 0.502064 0.418992 0 0 0
+001 h* 0.753202 0.464974 0.422996 0 0 0
+001 h* 0.815474 0.488888 0.425597 0 0 0
+016 o* 0.821146 0.576314 0.465344 0 0 0
+001 h* 0.857997 0.579747 0.459581 0 0 0
+001 h* 0.807000 0.569010 0.446751 0 0 0
+016 o* 0.200232 0.663039 0.228981 0 0 0
+001 h* 0.214793 0.622841 0.219830 0 0 0
+001 h* 0.193334 0.701418 0.215694 0 0 0
+016 o* 0.506415 0.094055 0.581738 0 0 0
+001 h* 0.540682 0.070563 0.577447 0 0 0
+001 h* 0.518045 0.142643 0.580759 0 0 0
+016 o* 0.346294 0.150979 0.228325 0 0 0
+001 h* 0.319699 0.147485 0.213102 0 0 0
+001 h* 0.353520 0.102423 0.233291 0 0 0
+016 o* 0.417776 0.551893 0.370985 0 0 0
+001 h* 0.440972 0.590509 0.365782 0 0 0
+001 h* 0.397146 0.563005 0.388669 0 0 0
+016 o* 0.452537 0.807842 0.159338 0 0 0
+001 h* 0.438919 0.827687 0.142188 0 0 0
+001 h* 0.491359 0.808628 0.158872 0 0 0
+016 o* 0.470834 0.440380 0.167708 0 0 0
+001 h* 0.499849 0.408708 0.163171 0 0 0
+001 h* 0.481051 0.458787 0.186641 0 0 0
+016 o* 0.631670 0.367320 0.430526 0 0 0
+001 h* 0.632238 0.342758 0.412634 0 0 0
+001 h* 0.668225 0.384780 0.431261 0 0 0
+016 o* 0.632070 0.185970 0.260634 0 0 0
+001 h* 0.598545 0.161515 0.261411 0 0 0
+001 h* 0.653299 0.166771 0.244755 0 0 0
+016 o* 0.718887 0.958703 0.280688 0 0 0
+001 h* 0.720714 0.931658 0.263240 0 0 0
+001 h* 0.730464 0.002452 0.273640 0 0 0
+016 o* 0.472938 0.459403 0.037554 0 0 0
+001 h* 0.490889 0.452060 0.055824 0 0 0
+001 h* 0.475806 0.510209 0.035508 0 0 0
+016 o* 0.084185 0.096958 0.044751 0 0 0
+001 h* 0.116785 0.123320 0.040647 0 0 0
+001 h* 0.056752 0.131418 0.050366 0 0 0
+016 o* 0.377470 0.443632 0.248156 0 0 0
+001 h* 0.349407 0.472568 0.256591 0 0 0
+001 h* 0.412915 0.452199 0.257125 0 0 0
+016 o* 0.188610 0.034877 0.314850 0 0 0
+001 h* 0.223158 0.047408 0.309059 0 0 0
+001 h* 0.173074 0.079215 0.319503 0 0 0
+016 o* 0.228720 0.100658 0.111276 0 0 0
+001 h* 0.209520 0.056813 0.110478 0 0 0
+001 h* 0.263981 0.089136 0.104244 0 0 0
+016 o* 0.916489 0.472427 0.113832 0 0 0
+001 h* 0.955405 0.473163 0.117594 0 0 0
+001 h* 0.915197 0.465693 0.092442 0 0 0
+016 o* 0.003318 0.880050 0.584616 0 0 0
+001 h* 0.032522 0.902011 0.573493 0 0 0
+001 h* 0.020764 0.874676 0.602913 0 0 0
+016 o* 0.448312 0.506200 0.443136 0 0 0
+001 h* 0.468916 0.543467 0.450573 0 0 0
+001 h* 0.427939 0.492187 0.460141 0 0 0
+016 o* 0.737856 0.440831 0.546519 0 0 0
+001 h* 0.738744 0.397806 0.555911 0 0 0
+001 h* 0.724486 0.472334 0.560101 0 0 0
+016 o* 0.395312 0.907373 0.183385 0 0 0
+001 h* 0.413635 0.867664 0.174440 0 0 0
+001 h* 0.420160 0.933911 0.194818 0 0 0
+016 o* 0.920416 0.256428 0.450856 0 0 0
+001 h* 0.936823 0.239267 0.468360 0 0 0
+001 h* 0.946759 0.286740 0.442567 0 0 0
+016 o* 0.165246 0.750282 0.032769 0 0 0
+001 h* 0.184862 0.794067 0.032587 0 0 0
+001 h* 0.154167 0.752819 0.052895 0 0 0
+016 o* 0.819174 0.912476 0.549003 0 0 0
+001 h* 0.799083 0.898985 0.532222 0 0 0
+001 h* 0.802918 0.878874 0.563071 0 0 0
+016 o* 0.919170 0.095802 0.581912 0 0 0
+001 h* 0.935876 0.073892 0.565868 0 0 0
+001 h* 0.907045 0.141357 0.576663 0 0 0
+016 o* 0.235417 0.649555 0.459657 0 0 0
+001 h* 0.198711 0.664964 0.458638 0 0 0
+001 h* 0.250958 0.667477 0.441943 0 0 0
+016 o* 0.477275 0.382209 0.422954 0 0 0
+001 h* 0.476286 0.426176 0.431926 0 0 0
+001 h* 0.475699 0.354087 0.440862 0 0 0
+016 o* 0.153188 0.283215 0.388505 0 0 0
+001 h* 0.123136 0.306160 0.379454 0 0 0
+001 h* 0.139162 0.241598 0.394392 0 0 0
+016 o* 0.876111 0.353245 0.504604 0 0 0
+001 h* 0.841329 0.338527 0.512268 0 0 0
+001 h* 0.867503 0.369205 0.485868 0 0 0
+016 o* 0.080714 0.045346 0.146488 0 0 0
+001 h* 0.049347 0.039261 0.158056 0 0 0
+001 h* 0.110864 0.031144 0.158110 0 0 0
+016 o* 0.794009 0.651220 0.185941 0 0 0
+001 h* 0.816611 0.613444 0.189691 0 0 0
+001 h* 0.758946 0.630903 0.191306 0 0 0
+016 o* 0.482127 0.955763 0.587631 0 0 0
+001 h* 0.498839 0.916860 0.577978 0 0 0
+001 h* 0.488187 0.991480 0.573012 0 0 0
+016 o* 0.734053 0.325235 0.565905 0 0 0
+001 h* 0.696247 0.325106 0.572055 0 0 0
+001 h* 0.748751 0.280922 0.571018 0 0 0
+016 o* 0.241157 0.805124 0.079852 0 0 0
+001 h* 0.249440 0.825993 0.062044 0 0 0
+001 h* 0.246543 0.755170 0.077760 0 0 0
+016 o* 0.589139 0.630482 0.333753 0 0 0
+001 h* 0.602168 0.664308 0.319506 0 0 0
+001 h* 0.621409 0.605706 0.340839 0 0 0
+016 o* 0.605802 0.694020 0.124052 0 0 0
+001 h* 0.582546 0.731699 0.127522 0 0 0
+001 h* 0.580953 0.654675 0.128023 0 0 0
+016 o* 0.491766 0.770278 0.425462 0 0 0
+001 h* 0.522840 0.739869 0.422166 0 0 0
+001 h* 0.490390 0.765661 0.446268 0 0 0
+016 o* 0.950991 0.174866 0.500962 0 0 0
+001 h* 0.948351 0.128067 0.494725 0 0 0
+001 h* 0.918235 0.184281 0.511804 0 0 0
+016 o* 0.326742 0.005167 0.240634 0 0 0
+001 h* 0.309688 0.967217 0.233026 0 0 0
+001 h* 0.315369 0.997162 0.260214 0 0 0
+016 o* 0.681629 0.812306 0.122794 0 0 0
+001 h* 0.689317 0.841869 0.140016 0 0 0
+001 h* 0.670655 0.764784 0.127021 0 0 0
+016 o* 0.726434 0.894508 0.158311 0 0 0
+001 h* 0.736784 0.852282 0.168734 0 0 0
+001 h* 0.740408 0.932604 0.169672 0 0 0
+016 o* 0.511140 0.521459 0.209024 0 0 0
+001 h* 0.485134 0.556342 0.213259 0 0 0
+001 h* 0.537886 0.530486 0.222648 0 0 0
+016 o* 0.577458 0.230045 0.124954 0 0 0
+001 h* 0.567261 0.186516 0.133702 0 0 0
+001 h* 0.601342 0.221171 0.108434 0 0 0
+016 o* 0.040970 0.321314 0.036847 0 0 0
+001 h* 0.042553 0.315502 0.016619 0 0 0
+001 h* 0.045044 0.275472 0.044887 0 0 0
+016 o* 0.841619 0.783792 0.292558 0 0 0
+001 h* 0.820761 0.766913 0.309670 0 0 0
+001 h* 0.863295 0.819814 0.300943 0 0 0
+016 o* 0.400211 0.758319 0.212731 0 0 0
+001 h* 0.420623 0.776836 0.196782 0 0 0
+001 h* 0.361752 0.767269 0.207318 0 0 0
+016 o* 0.900726 0.476968 0.510970 0 0 0
+001 h* 0.889117 0.429947 0.511915 0 0 0
+001 h* 0.870948 0.503290 0.517850 0 0 0
+016 o* 0.304312 0.304424 0.108533 0 0 0
+001 h* 0.332872 0.334244 0.099203 0 0 0
+001 h* 0.303789 0.263309 0.097825 0 0 0
+016 o* 0.579067 0.924874 0.112486 0 0 0
+001 h* 0.598747 0.942629 0.129305 0 0 0
+001 h* 0.597650 0.944982 0.095441 0 0 0
+016 o* 0.424544 0.487789 0.583191 0 0 0
+001 h* 0.395681 0.453688 0.583575 0 0 0
+001 h* 0.402565 0.523763 0.575061 0 0 0
+016 o* 0.897195 0.884607 0.080272 0 0 0
+001 h* 0.880655 0.858918 0.063830 0 0 0
+001 h* 0.867568 0.884841 0.093783 0 0 0
+016 o* 0.927969 0.441928 0.349450 0 0 0
+001 h* 0.919963 0.486632 0.357808 0 0 0
+001 h* 0.925016 0.447972 0.328722 0 0 0
+016 o* 0.709006 0.229027 0.363945 0 0 0
+001 h* 0.732070 0.189374 0.367055 0 0 0
+001 h* 0.677622 0.219580 0.375450 0 0 0
+016 o* 0.867050 0.802901 0.191150 0 0 0
+001 h* 0.886092 0.841421 0.181468 0 0 0
+001 h* 0.870574 0.766667 0.176680 0 0 0
+016 o* 0.885864 0.897882 0.592909 0 0 0
+001 h* 0.867608 0.925155 0.578173 0 0 0
+001 h* 0.925185 0.908236 0.593256 0 0 0
+016 o* 0.341592 0.018010 0.158161 0 0 0
+001 h* 0.375937 0.043721 0.156861 0 0 0
+001 h* 0.356818 0.982366 0.171472 0 0 0
+016 o* 0.121976 0.215448 0.184717 0 0 0
+001 h* 0.156141 0.199987 0.175227 0 0 0
+001 h* 0.096772 0.225185 0.169207 0 0 0
+016 o* 0.404958 0.120663 0.109221 0 0 0
+001 h* 0.422287 0.150711 0.122276 0 0 0
+001 h* 0.432453 0.095707 0.099367 0 0 0
+016 o* 0.610649 0.060500 0.582120 0 0 0
+001 h* 0.605652 0.055405 0.602451 0 0 0
+001 h* 0.629070 0.103986 0.580274 0 0 0
+016 o* 0.217538 0.042305 0.215816 0 0 0
+001 h* 0.243543 0.078737 0.214811 0 0 0
+001 h* 0.185822 0.071493 0.221549 0 0 0
+016 o* 0.434757 0.038507 0.261689 0 0 0
+001 h* 0.453531 0.995895 0.266476 0 0 0
+001 h* 0.395688 0.028511 0.259840 0 0 0
+016 o* 0.557898 0.800394 0.149685 0 0 0
+001 h* 0.567628 0.810397 0.169851 0 0 0
+001 h* 0.566421 0.839531 0.138704 0 0 0
+016 o* 0.139192 0.495352 0.298105 0 0 0
+001 h* 0.136801 0.545537 0.299925 0 0 0
+001 h* 0.158138 0.484402 0.316038 0 0 0
+016 o* 0.324907 0.045127 0.100629 0 0 0
+001 h* 0.351851 0.083800 0.102736 0 0 0
+001 h* 0.329183 0.019111 0.118424 0 0 0
+016 o* 0.897743 0.688500 0.041258 0 0 0
+001 h* 0.865003 0.662138 0.041238 0 0 0
+001 h* 0.885152 0.734809 0.045205 0 0 0
+016 o* 0.642540 0.836024 0.592788 0 0 0
+001 h* 0.621828 0.840947 0.611142 0 0 0
+001 h* 0.678287 0.846731 0.598330 0 0 0
+016 o* 0.757368 0.853011 0.588204 0 0 0
+001 h* 0.768865 0.803986 0.590896 0 0 0
+001 h* 0.751185 0.870358 0.607614 0 0 0
+016 o* 0.006372 0.992132 0.039155 0 0 0
+001 h* 0.028727 0.951472 0.042718 0 0 0
+001 h* 0.026901 0.033544 0.044023 0 0 0
+016 o* 0.865152 0.756233 0.364759 0 0 0
+001 h* 0.857730 0.724984 0.380563 0 0 0
+001 h* 0.833775 0.750157 0.353275 0 0 0
+016 o* 0.971578 0.412954 0.065613 0 0 0
+001 h* 0.991920 0.380564 0.054864 0 0 0
+001 h* 0.974812 0.392826 0.084649 0 0 0
+016 o* 0.140599 0.342738 0.446706 0 0 0
+001 h* 0.145856 0.326204 0.426493 0 0 0
+001 h* 0.141786 0.393794 0.444147 0 0 0
+016 o* 0.559854 0.276558 0.208289 0 0 0
+001 h* 0.539577 0.311707 0.218967 0 0 0
+001 h* 0.560682 0.232806 0.219142 0 0 0
+016 o* 0.976492 0.868358 0.114533 0 0 0
+001 h* 0.003749 0.901016 0.107161 0 0 0
+001 h* 0.949596 0.861972 0.099229 0 0 0
+016 o* 0.193541 0.975690 0.097346 0 0 0
+001 h* 0.193437 0.975867 0.076430 0 0 0
+001 h* 0.167447 0.942160 0.104614 0 0 0
+016 o* 0.394046 0.150072 0.363294 0 0 0
+001 h* 0.408362 0.179089 0.377586 0 0 0
+001 h* 0.390059 0.102647 0.369440 0 0 0
+016 o* 0.511127 0.793963 0.352381 0 0 0
+001 h* 0.509154 0.838497 0.361029 0 0 0
+001 h* 0.542963 0.791729 0.340277 0 0 0
+016 o* 0.281850 0.804316 0.252469 0 0 0
+001 h* 0.284975 0.776247 0.234702 0 0 0
+001 h* 0.254371 0.836740 0.250093 0 0 0
+016 o* 0.350324 0.698966 0.056620 0 0 0
+001 h* 0.320604 0.688151 0.071092 0 0 0
+001 h* 0.357741 0.652301 0.050557 0 0 0
+016 o* 0.187371 0.457784 0.345155 0 0 0
+001 h* 0.218172 0.486372 0.350528 0 0 0
+001 h* 0.179154 0.435968 0.363377 0 0 0
+016 o* 0.034964 0.293426 0.373672 0 0 0
+001 h* 0.034031 0.335161 0.360821 0 0 0
+001 h* 0.023373 0.255173 0.360930 0 0 0
+016 o* 0.297917 0.751168 0.201569 0 0 0
+016 o* 0.614225 0.476924 0.038555 0 0 0
+001 h* 0.621116 0.455586 0.057480 0 0 0
+001 h* 0.261743 0.740545 0.195731 0 0 0
+001 h* 0.628441 0.524864 0.040347 0 0 0
+001 h* 0.318819 0.760503 0.183575 0 0 0
+016 o* 0.411661 0.732594 0.097296 0 0 0
+001 h* 0.446965 0.752514 0.093200 0 0 0
+001 h* 0.395141 0.718400 0.079375 0 0 0
+016 o* 0.222272 0.538758 0.487734 0 0 0
+001 h* 0.228149 0.583318 0.479570 0 0 0
+001 h* 0.205548 0.543198 0.506724 0 0 0
+016 o* 0.978128 0.769096 0.151472 0 0 0
+001 h* 0.984597 0.792028 0.133245 0 0 0
+001 h* 0.012247 0.773042 0.162693 0 0 0
+016 o* 0.809885 0.924797 0.429988 0 0 0
+001 h* 0.838020 0.940565 0.416932 0 0 0
+001 h* 0.824209 0.933981 0.448931 0 0 0
+016 o* 0.155132 0.953070 0.473513 0 0 0
+001 h* 0.130980 0.933008 0.459439 0 0 0
+001 h* 0.179788 0.918225 0.480516 0 0 0
+016 o* 0.445240 0.268852 0.332718 0 0 0
+001 h* 0.481389 0.277349 0.327288 0 0 0
+001 h* 0.436603 0.304172 0.347091 0 0 0
+016 o* 0.325386 0.364313 0.484827 0 0 0
+001 h* 0.355093 0.395797 0.485419 0 0 0
+001 h* 0.295712 0.393997 0.477756 0 0 0
+016 o* 0.662691 0.059753 0.366608 0 0 0
+001 h* 0.656128 0.043257 0.347264 0 0 0
+001 h* 0.632441 0.081244 0.373775 0 0 0
+016 o* 0.280668 0.712958 0.418475 0 0 0
+001 h* 0.319164 0.709009 0.415426 0 0 0
+001 h* 0.270976 0.759497 0.424185 0 0 0
+016 o* 0.318423 0.418494 0.309846 0 0 0
+016 o* 0.058172 0.740215 0.532153 0 0 0
+001 h* 0.298994 0.389054 0.296164 0 0 0
+001 h* 0.040666 0.695809 0.527566 0 0 0
+001 h* 0.315842 0.461892 0.299671 0 0 0
+001 h* 0.052881 0.770218 0.516234 0 0 0
+016 o* 0.382304 0.108162 0.483138 0 0 0
+001 h* 0.361013 0.098721 0.499918 0 0 0
+001 h* 0.414819 0.125912 0.490405 0 0 0
+016 o* 0.740018 0.188510 0.449665 0 0 0
+001 h* 0.774954 0.185289 0.459025 0 0 0
+001 h* 0.737437 0.149849 0.436834 0 0 0
+016 o* 0.835813 0.957716 0.299580 0 0 0
+001 h* 0.811568 0.967299 0.283122 0 0 0
+001 h* 0.871021 0.949964 0.292085 0 0 0
+016 o* 0.866435 0.546165 0.175686 0 0 0
+001 h* 0.843482 0.512576 0.185048 0 0 0
+001 h* 0.901039 0.544947 0.185367 0 0 0
+016 o* 0.221824 0.263227 0.277069 0 0 0
+001 h* 0.232551 0.308024 0.270819 0 0 0
+001 h* 0.211731 0.268655 0.297765 0 0 0
+016 o* 0.072957 0.506977 0.365500 0 0 0
+001 h* 0.053811 0.544048 0.374382 0 0 0
+001 h* 0.100656 0.530307 0.353511 0 0 0
+016 o* 0.632052 0.258824 0.077912 0 0 0
+001 h* 0.657426 0.233320 0.065203 0 0 0
+001 h* 0.622813 0.299133 0.066593 0 0 0
+016 o* 0.712460 0.774655 0.398958 0 0 0
+001 h* 0.682982 0.759153 0.387519 0 0 0
+001 h* 0.735017 0.803233 0.386447 0 0 0
+016 o* 0.942800 0.244643 0.026443 0 0 0
+001 h* 0.970004 0.266924 0.036496 0 0 0
+001 h* 0.938026 0.201279 0.036803 0 0 0
+016 o* 0.922533 0.566013 0.230567 0 0 0
+001 h* 0.931698 0.560077 0.251166 0 0 0
+001 h* 0.908658 0.613166 0.232038 0 0 0
+016 o* 0.365469 0.569188 0.033113 0 0 0
+001 h* 0.373250 0.573360 0.012751 0 0 0
+001 h* 0.333504 0.542507 0.033560 0 0 0
+016 o* 0.712425 0.079110 0.138309 0 0 0
+001 h* 0.735067 0.037635 0.138496 0 0 0
+001 h* 0.686184 0.075730 0.152949 0 0 0
+016 o* 0.207661 0.104076 0.386972 0 0 0
+001 h* 0.173336 0.122509 0.392401 0 0 0
+001 h* 0.212154 0.067044 0.400776 0 0 0
+016 o* 0.161728 0.778341 0.352371 0 0 0
+001 h* 0.159602 0.748452 0.368700 0 0 0
+001 h* 0.200712 0.790524 0.351312 0 0 0
+016 o* 0.001962 0.188864 0.292724 0 0 0
+001 h* 0.035688 0.207842 0.285531 0 0 0
+001 h* 0.979068 0.208769 0.279139 0 0 0
+016 o* 0.303185 0.925648 0.582953 0 0 0
+001 h* 0.312027 0.936654 0.602578 0 0 0
+001 h* 0.292364 0.878704 0.583184 0 0 0
+016 o* 0.064436 0.920223 0.540960 0 0 0
+001 h* 0.091283 0.917321 0.554970 0 0 0
+001 h* 0.073569 0.960199 0.529102 0 0 0
+016 o* 0.966779 0.771744 0.377364 0 0 0
+001 h* 0.968777 0.792121 0.396397 0 0 0
+001 h* 0.929927 0.757227 0.373774 0 0 0
+016 o* 0.151296 0.837261 0.119896 0 0 0
+001 h* 0.182234 0.833940 0.107532 0 0 0
+001 h* 0.128260 0.798269 0.119614 0 0 0
+016 o* 0.687504 0.303967 0.136320 0 0 0
+001 h* 0.708421 0.332502 0.122490 0 0 0
+001 h* 0.664382 0.271393 0.126378 0 0 0
+016 o* 0.647592 0.123228 0.099548 0 0 0
+001 h* 0.675015 0.102451 0.112245 0 0 0
+001 h* 0.665586 0.151906 0.086392 0 0 0
+016 o* 0.520136 0.057064 0.322008 0 0 0
+001 h* 0.490251 0.023915 0.324352 0 0 0
+001 h* 0.547448 0.038549 0.308829 0 0 0
+016 o* 0.482812 0.665030 0.357928 0 0 0
+001 h* 0.509450 0.632449 0.350812 0 0 0
+001 h* 0.497509 0.711079 0.356730 0 0 0
+016 o* 0.434004 0.671962 0.590093 0 0 0
+001 h* 0.451223 0.632782 0.599110 0 0 0
+001 h* 0.427308 0.699101 0.607416 0 0 0
+016 o* 0.394454 0.842897 0.466364 0 0 0
+001 h* 0.409056 0.888680 0.467351 0 0 0
+001 h* 0.382266 0.848826 0.446371 0 0 0
+016 o* 0.752544 0.866047 0.364881 0 0 0
+001 h* 0.737613 0.855639 0.346611 0 0 0
+001 h* 0.774085 0.907566 0.363846 0 0 0
+016 o* 0.448740 0.958089 0.469798 0 0 0
+001 h* 0.428245 0.994903 0.462526 0 0 0
+001 h* 0.481161 0.955708 0.458063 0 0 0
+016 o* 0.013175 0.251083 0.588220 0 0 0
+001 h* 0.012763 0.213977 0.574036 0 0 0
+001 h* 0.992028 0.287519 0.579368 0 0 0
+016 o* 0.517455 0.457144 0.367705 0 0 0
+001 h* 0.491457 0.478123 0.354728 0 0 0
+001 h* 0.495989 0.429541 0.379840 0 0 0
+016 o* 0.543871 0.308224 0.314880 0 0 0
+001 h* 0.556746 0.355991 0.316061 0 0 0
+001 h* 0.577116 0.281096 0.311759 0 0 0
+016 o* 0.449470 0.156313 0.289011 0 0 0
+001 h* 0.481149 0.180236 0.295081 0 0 0
+001 h* 0.461231 0.116006 0.277070 0 0 0
+016 o* 0.580207 0.022886 0.275888 0 0 0
+001 h* 0.579707 0.971395 0.275085 0 0 0
+001 h* 0.565320 0.035585 0.257390 0 0 0
+016 o* 0.253344 0.436051 0.454314 0 0 0
+001 h* 0.267177 0.462099 0.436674 0 0 0
+001 h* 0.237183 0.473763 0.466368 0 0 0
+016 o* 0.279915 0.931878 0.133436 0 0 0
+001 h* 0.254895 0.960265 0.122790 0 0 0
+001 h* 0.297489 0.962548 0.147790 0 0 0
+016 o* 0.729825 0.654725 0.281733 0 0 0
+001 h* 0.751245 0.628416 0.294626 0 0 0
+001 h* 0.755952 0.678184 0.269505 0 0 0
+016 o* 0.855926 0.072879 0.198555 0 0 0
+001 h* 0.843653 0.099277 0.181826 0 0 0
+001 h* 0.869698 0.106090 0.212536 0 0 0
+016 o* 0.441026 0.122840 0.536110 0 0 0
+001 h* 0.411208 0.105344 0.547700 0 0 0
+001 h* 0.473210 0.101324 0.542173 0 0 0
+016 o* 0.540623 0.111218 0.149634 0 0 0
+001 h* 0.505592 0.135894 0.150635 0 0 0
+001 h* 0.536590 0.077154 0.134177 0 0 0
+016 o* 0.780043 0.731533 0.333838 0 0 0
+001 h* 0.759249 0.689416 0.338197 0 0 0
+001 h* 0.752996 0.763925 0.328772 0 0 0
+016 o* 0.873545 0.453994 0.427349 0 0 0
+001 h* 0.909457 0.469360 0.434172 0 0 0
+001 h* 0.880749 0.408327 0.420328 0 0 0
+016 o* 0.075404 0.721060 0.113961 0 0 0
+001 h* 0.074275 0.756940 0.100818 0 0 0
+001 h* 0.059207 0.681758 0.103727 0 0 0
+016 o* 0.782418 0.308064 0.519534 0 0 0
+001 h* 0.757272 0.292768 0.504765 0 0 0
+001 h* 0.758252 0.322742 0.535293 0 0 0
+016 o* 0.944496 0.140215 0.063873 0 0 0
+001 h* 0.930359 0.097082 0.057663 0 0 0
+001 h* 0.929252 0.144567 0.083553 0 0 0
+016 o* 0.900129 0.358065 0.585341 0 0 0
+001 h* 0.882610 0.402750 0.583549 0 0 0
+001 h* 0.928442 0.361956 0.571160 0 0 0
+016 o* 0.289033 0.080568 0.516087 0 0 0
+001 h* 0.268415 0.105460 0.529532 0 0 0
+001 h* 0.268623 0.083195 0.498802 0 0 0
+016 o* 0.327678 0.296227 0.337748 0 0 0
+001 h* 0.318931 0.344426 0.334505 0 0 0
+001 h* 0.314103 0.292825 0.356899 0 0 0
+016 o* 0.649581 0.260933 0.319513 0 0 0
+016 o* 0.063336 0.790841 0.062117 0 0 0
+001 h* 0.029366 0.785808 0.052705 0 0 0
+001 h* 0.668655 0.243442 0.336050 0 0 0
+001 h* 0.074769 0.837605 0.057801 0 0 0
+001 h* 0.644307 0.220141 0.306073 0 0 0
+016 o* 0.379571 0.379560 0.085246 0 0 0
+001 h* 0.396864 0.417376 0.095515 0 0 0
+001 h* 0.391707 0.380234 0.064807 0 0 0
+016 o* 0.855263 0.656938 0.410253 0 0 0
+001 h* 0.879650 0.650999 0.425927 0 0 0
+001 h* 0.823507 0.677593 0.418363 0 0 0
+016 o* 0.778609 0.468079 0.205171 0 0 0
+001 h* 0.770644 0.423410 0.211510 0 0 0
+001 h* 0.748132 0.491942 0.212113 0 0 0
+016 o* 0.130573 0.167291 0.419454 0 0 0
+001 h* 0.152277 0.164810 0.436618 0 0 0
+001 h* 0.097344 0.192245 0.423587 0 0 0
+016 o* 0.390347 0.298711 0.172409 0 0 0
+001 h* 0.385861 0.347859 0.172221 0 0 0
+001 h* 0.396980 0.283339 0.192531 0 0 0
+016 o* 0.653509 0.947551 0.559512 0 0 0
+001 h* 0.638737 0.984225 0.571040 0 0 0
+001 h* 0.655616 0.904166 0.569796 0 0 0
+016 o* 0.991424 0.343686 0.438723 0 0 0
+001 h* 0.015108 0.358934 0.452391 0 0 0
+001 h* 0.988150 0.380382 0.424223 0 0 0
+016 o* 0.129679 0.470735 0.587722 0 0 0
+001 h* 0.169041 0.468997 0.589582 0 0 0
+001 h* 0.112662 0.470461 0.606912 0 0 0
+016 o* 0.720801 0.598746 0.220179 0 0 0
+001 h* 0.731103 0.602285 0.240032 0 0 0
+001 h* 0.709162 0.644769 0.215646 0 0 0
+016 o* 0.376299 0.795256 0.265885 0 0 0
+001 h* 0.337704 0.800090 0.266730 0 0 0
+001 h* 0.384982 0.779181 0.245762 0 0 0
+016 o* 0.370572 0.589768 0.420023 0 0 0
+001 h* 0.396738 0.570436 0.432780 0 0 0
+001 h* 0.380797 0.637233 0.417114 0 0 0
+016 o* 0.723148 0.831325 0.309181 0 0 0
+001 h* 0.748812 0.855882 0.298576 0 0 0
+001 h* 0.692054 0.856892 0.308710 0 0 0
+016 o* 0.541677 0.566079 0.506593 0 0 0
+001 h* 0.575378 0.593273 0.506782 0 0 0
+001 h* 0.512979 0.587451 0.495155 0 0 0
+016 o* 0.125416 0.344774 0.205858 0 0 0
+001 h* 0.118215 0.310262 0.191569 0 0 0
+001 h* 0.163997 0.345795 0.207073 0 0 0
+016 o* 0.818058 0.865025 0.117245 0 0 0
+001 h* 0.824134 0.816965 0.122296 0 0 0
+001 h* 0.783199 0.878451 0.124974 0 0 0
+016 o* 0.858210 0.317207 0.285922 0 0 0
+001 h* 0.828613 0.348439 0.284802 0 0 0
+001 h* 0.840646 0.274452 0.293240 0 0 0
+016 o* 0.830272 0.352352 0.350319 0 0 0
+001 h* 0.819067 0.306977 0.344164 0 0 0
+001 h* 0.821956 0.383054 0.333557 0 0 0
+016 o* 0.616593 0.706005 0.213607 0 0 0
+001 h* 0.637329 0.695485 0.195912 0 0 0
+001 h* 0.607149 0.754112 0.216457 0 0 0
+016 o* 0.471329 0.600872 0.044000 0 0 0
+001 h* 0.474761 0.647327 0.049517 0 0 0
+001 h* 0.434362 0.589068 0.044015 0 0 0
+016 o* 0.107749 0.465410 0.162874 0 0 0
+001 h* 0.083878 0.503114 0.166568 0 0 0
+001 h* 0.113050 0.438324 0.181172 0 0 0
+016 o* 0.087391 0.937945 0.111410 0 0 0
+001 h* 0.087297 0.978743 0.124474 0 0 0
+001 h* 0.104999 0.898352 0.120977 0 0 0
+016 o* 0.279894 0.115326 0.037377 0 0 0
+001 h* 0.281728 0.066626 0.044220 0 0 0
+001 h* 0.281750 0.116227 0.015672 0 0 0
+016 o* 0.532922 0.546334 0.568620 0 0 0
+001 h* 0.503126 0.544526 0.581302 0 0 0
+001 h* 0.523504 0.547001 0.547778 0 0 0
+016 o* 0.858645 0.382550 0.148444 0 0 0
+001 h* 0.886669 0.409620 0.139095 0 0 0
+001 h* 0.853101 0.350928 0.132587 0 0 0
+016 o* 0.641117 0.566076 0.460154 0 0 0
+001 h* 0.651626 0.540572 0.477904 0 0 0
+001 h* 0.612669 0.542174 0.450246 0 0 0
+016 o* 0.787764 0.494614 0.362124 0 0 0
+001 h* 0.787059 0.510004 0.381386 0 0 0
+001 h* 0.820038 0.469584 0.360176 0 0 0
+016 o* 0.548348 0.595866 0.130508 0 0 0
+001 h* 0.509697 0.609469 0.132884 0 0 0
+001 h* 0.548427 0.551657 0.140048 0 0 0
+016 o* 0.915527 0.959628 0.207863 0 0 0
+001 h* 0.907862 0.939777 0.187972 0 0 0
+001 h* 0.888766 0.995404 0.204068 0 0 0
+016 o* 0.767555 0.734010 0.536115 0 0 0
+001 h* 0.762695 0.779169 0.527013 0 0 0
+001 h* 0.802305 0.719197 0.528685 0 0 0
+016 o* 0.033357 0.854115 0.353096 0 0 0
+001 h* 0.063249 0.869093 0.365845 0 0 0
+001 h* 0.011665 0.822832 0.363623 0 0 0
+016 o* 0.600344 0.464198 0.147273 0 0 0
+001 h* 0.612116 0.458497 0.167511 0 0 0
+001 h* 0.579285 0.420934 0.145148 0 0 0
+016 o* 0.173920 0.641878 0.396898 0 0 0
+001 h* 0.213658 0.647912 0.395817 0 0 0
+001 h* 0.164578 0.600729 0.409144 0 0 0
+016 o* 0.529712 0.109475 0.373917 0 0 0
+001 h* 0.527360 0.092398 0.353784 0 0 0
+001 h* 0.500017 0.088906 0.383371 0 0 0
+016 o* 0.417452 0.484987 0.121478 0 0 0
+001 h* 0.435887 0.522076 0.112911 0 0 0
+001 h* 0.436455 0.469826 0.138659 0 0 0
+016 o* 0.388975 0.821952 0.584895 0 0 0
+001 h* 0.399312 0.857374 0.572325 0 0 0
+001 h* 0.367345 0.792138 0.574158 0 0 0
+016 o* 0.574310 0.991122 0.523120 0 0 0
+001 h* 0.605246 0.014979 0.529933 0 0 0
+001 h* 0.587854 0.965728 0.507378 0 0 0
+016 o* 0.496455 0.441477 0.503376 0 0 0
+001 h* 0.523127 0.480174 0.504678 0 0 0
+001 h* 0.514781 0.398520 0.506130 0 0 0
+016 o* 0.574025 0.514069 0.286342 0 0 0
+001 h* 0.594402 0.484944 0.299701 0 0 0
+001 h* 0.575907 0.558977 0.295270 0 0 0
+016 o* 0.678163 0.191121 0.036216 0 0 0
+001 h* 0.679366 0.200103 0.014870 0 0 0
+001 h* 0.691415 0.143268 0.039028 0 0 0
+016 o* 0.763671 0.805373 0.190317 0 0 0
+001 h* 0.756195 0.759357 0.185607 0 0 0
+001 h* 0.802686 0.808012 0.191680 0 0 0
+016 o* 0.434379 0.973451 0.335916 0 0 0
+001 h* 0.433362 0.975689 0.357500 0 0 0
+001 h* 0.419625 0.930057 0.330869 0 0 0
+016 o* 0.954943 0.527872 0.299025 0 0 0
+001 h* 0.981796 0.550644 0.287475 0 0 0
+001 h* 0.957092 0.478196 0.294338 0 0 0
+016 o* 0.557531 0.320768 0.388931 0 0 0
+001 h* 0.536721 0.335122 0.372133 0 0 0
+001 h* 0.541114 0.334649 0.406777 0 0 0
+016 o* 0.641835 0.190819 0.524872 0 0 0
+001 h* 0.667464 0.161452 0.514140 0 0 0
+001 h* 0.608177 0.172116 0.518109 0 0 0
+016 o* 0.679809 0.473227 0.363783 0 0 0
+001 h* 0.681535 0.424909 0.368999 0 0 0
+001 h* 0.714427 0.476957 0.354656 0 0 0
+016 o* 0.166667 0.201455 0.087783 0 0 0
+001 h* 0.164084 0.192655 0.066736 0 0 0
+001 h* 0.198276 0.171967 0.090929 0 0 0
+016 o* 0.133851 0.710722 0.466236 0 0 0
+001 h* 0.155538 0.746856 0.458104 0 0 0
+001 h* 0.101278 0.705890 0.454130 0 0 0
+016 o* 0.061170 0.414865 0.239170 0 0 0
+001 h* 0.081814 0.386696 0.225237 0 0 0
+001 h* 0.038315 0.447525 0.229176 0 0 0
+016 o* 0.454936 0.178186 0.158812 0 0 0
+001 h* 0.439221 0.152122 0.174770 0 0 0
+001 h* 0.451168 0.223944 0.164093 0 0 0
+016 o* 0.428190 0.938756 0.092024 0 0 0
+001 h* 0.399132 0.916485 0.101861 0 0 0
+001 h* 0.409339 0.949646 0.074577 0 0 0
+016 o* 0.034875 0.240343 0.523609 0 0 0
+001 h* 0.067464 0.218423 0.518301 0 0 0
+001 h* 0.011371 0.211428 0.512476 0 0 0
+016 o* 0.883411 0.085645 0.423974 0 0 0
+001 h* 0.889478 0.053298 0.408418 0 0 0
+001 h* 0.906517 0.124166 0.419477 0 0 0
+016 o* 0.535802 0.151854 0.236246 0 0 0
+001 h* 0.501804 0.172401 0.231060 0 0 0
+001 h* 0.539630 0.108673 0.225837 0 0 0
+016 o* 0.210314 0.913164 0.385031 0 0 0
+001 h* 0.225584 0.937012 0.401288 0 0 0
+001 h* 0.237672 0.898057 0.372485 0 0 0
+016 o* 0.270895 0.151402 0.340781 0 0 0
+001 h* 0.258179 0.132080 0.359223 0 0 0
+001 h* 0.236593 0.162829 0.331680 0 0 0
+016 o* 0.209302 0.274474 0.585553 0 0 0
+001 h* 0.173316 0.291862 0.583352 0 0 0
+001 h* 0.208270 0.247517 0.604248 0 0 0
+016 o* 0.978281 0.742065 0.578203 0 0 0
+001 h* 0.994347 0.786012 0.579930 0 0 0
+001 h* 0.987322 0.719803 0.560152 0 0 0
+016 o* 0.425061 0.217273 0.055335 0 0 0
+001 h* 0.445047 0.234849 0.072427 0 0 0
+001 h* 0.426395 0.259394 0.043872 0 0 0
+016 o* 0.318275 0.516897 0.128463 0 0 0
+001 h* 0.302023 0.534180 0.110093 0 0 0
+001 h* 0.355662 0.505356 0.123590 0 0 0
+016 o* 0.671532 0.664540 0.167902 0 0 0
+001 h* 0.656181 0.679478 0.149435 0 0 0
+001 h* 0.660247 0.614401 0.167398 0 0 0
+016 o* 0.756614 0.116584 0.374024 0 0 0
+001 h* 0.719823 0.097563 0.370848 0 0 0
+001 h* 0.766084 0.097169 0.392800 0 0 0
+016 o* 0.809700 0.733940 0.129110 0 0 0
+001 h* 0.789031 0.698571 0.120451 0 0 0
+001 h* 0.825482 0.703258 0.143282 0 0 0
+016 o* 0.005325 0.016199 0.185711 0 0 0
+001 h* 0.030870 0.002066 0.201963 0 0 0
+001 h* 0.974858 0.984670 0.189188 0 0 0
+016 o* 0.905931 0.902865 0.158478 0 0 0
+001 h* 0.875638 0.905578 0.145217 0 0 0
+001 h* 0.938247 0.884771 0.148045 0 0 0
+016 o* 0.833216 0.185000 0.467121 0 0 0
+001 h* 0.846298 0.158009 0.483966 0 0 0
+001 h* 0.863517 0.203475 0.455595 0 0 0
+016 o* 0.525035 0.245611 0.033177 0 0 0
+001 h* 0.552022 0.283017 0.032165 0 0 0
+001 h* 0.495852 0.254303 0.018749 0 0 0
+016 o* 0.486728 0.315076 0.265950 0 0 0
+001 h* 0.485516 0.364955 0.269678 0 0 0
+001 h* 0.521989 0.303648 0.273190 0 0 0
+016 o* 0.943843 0.395665 0.292927 0 0 0
+001 h* 0.912553 0.366624 0.296340 0 0 0
+001 h* 0.950984 0.384893 0.273260 0 0 0
+016 o* 0.662471 0.598195 0.370654 0 0 0
+001 h* 0.659849 0.547057 0.366349 0 0 0
+001 h* 0.670091 0.597889 0.391583 0 0 0
+016 o* 0.628598 0.422436 0.087123 0 0 0
+001 h* 0.661066 0.394746 0.086846 0 0 0
+001 h* 0.624423 0.431953 0.107358 0 0 0
+016 o* 0.667866 0.560767 0.122360 0 0 0
+001 h* 0.641339 0.592522 0.115968 0 0 0
+001 h* 0.648042 0.521725 0.128548 0 0 0
+016 o* 0.583236 0.681814 0.067494 0 0 0
+001 h* 0.606614 0.651472 0.056223 0 0 0
+001 h* 0.600236 0.688981 0.086169 0 0 0
+016 o* 0.446670 0.071045 0.203090 0 0 0
+001 h* 0.439258 0.084254 0.222096 0 0 0
+001 h* 0.477380 0.040317 0.205098 0 0 0
+016 o* 0.025979 0.395482 0.589612 0 0 0
+001 h* 0.024068 0.378291 0.608933 0 0 0
+001 h* 0.050055 0.361993 0.580391 0 0 0
+016 o* 0.947076 0.066839 0.289099 0 0 0
+001 h* 0.972333 0.105628 0.287802 0 0 0
+001 h* 0.966274 0.039549 0.303533 0 0 0
+016 o* 0.748619 0.896839 0.034668 0 0 0
+001 h* 0.767582 0.928876 0.046948 0 0 0
+001 h* 0.722443 0.880219 0.047917 0 0 0
+016 o* 0.533445 0.135006 0.062206 0 0 0
+016 o* 0.067819 0.205190 0.231050 0 0 0
+001 h* 0.085948 0.197223 0.212028 0 0 0
+001 h* 0.520438 0.140796 0.081455 0 0 0
+001 h* 0.042182 0.240162 0.224901 0 0 0
+001 h* 0.528457 0.176988 0.051846 0 0 0
+016 o* 0.045458 0.389701 0.493629 0 0 0
+001 h* 0.036431 0.347833 0.503005 0 0 0
+001 h* 0.078374 0.402109 0.504182 0 0 0
+016 o* 0.376078 0.429280 0.190837 0 0 0
+001 h* 0.409892 0.439148 0.180554 0 0 0
+001 h* 0.382881 0.435864 0.211766 0 0 0
+016 o* 0.481996 0.942541 0.216301 0 0 0
+001 h* 0.509916 0.911119 0.212784 0 0 0
+001 h* 0.463051 0.927980 0.233983 0 0 0
+016 o* 0.099264 0.229583 0.281836 0 0 0
+001 h* 0.097797 0.277784 0.288886 0 0 0
+001 h* 0.098475 0.236712 0.260847 0 0 0
+016 o* 0.038740 0.232232 0.422811 0 0 0
+001 h* 0.041526 0.248923 0.402083 0 0 0
+001 h* 0.015178 0.270661 0.429310 0 0 0
+016 o* 0.018946 0.461284 0.124017 0 0 0
+001 h* 0.056666 0.455428 0.129143 0 0 0
+001 h* 0.000629 0.419481 0.131173 0 0 0
+016 o* 0.639561 0.344510 0.256918 0 0 0
+001 h* 0.669680 0.359854 0.244208 0 0 0
+001 h* 0.643162 0.295595 0.258173 0 0 0
+016 o* 0.501255 0.039595 0.104435 0 0 0
+001 h* 0.476227 0.999247 0.105542 0 0 0
+001 h* 0.517431 0.040712 0.085641 0 0 0
+016 o* 0.001245 0.484926 0.207202 0 0 0
+001 h* 0.978731 0.512522 0.218391 0 0 0
+001 h* 0.009951 0.522970 0.193677 0 0 0
+016 o* 0.199215 0.751340 0.182398 0 0 0
+001 h* 0.186843 0.721982 0.166774 0 0 0
+001 h* 0.185135 0.796169 0.178867 0 0 0
+016 o* 0.787701 0.045574 0.255247 0 0 0
+001 h* 0.774017 0.077035 0.241137 0 0 0
+001 h* 0.812569 0.070256 0.267344 0 0 0
+016 o* 0.240207 0.339971 0.406197 0 0 0
+001 h* 0.235076 0.353437 0.425926 0 0 0
+001 h* 0.210289 0.313639 0.400328 0 0 0
+016 o* 0.570348 0.891406 0.289790 0 0 0
+001 h* 0.589762 0.868866 0.305355 0 0 0
+001 h* 0.559605 0.857152 0.275800 0 0 0
+016 o* 0.363642 0.062000 0.312534 0 0 0
+001 h* 0.341021 0.024733 0.306571 0 0 0
+001 h* 0.393260 0.039077 0.321457 0 0 0
+016 o* 0.009223 0.702500 0.224004 0 0 0
+001 h* 0.029213 0.675173 0.238223 0 0 0
+001 h* 0.972998 0.704334 0.232069 0 0 0
+016 o* 0.734507 0.650344 0.057526 0 0 0
+001 h* 0.741812 0.702204 0.061966 0 0 0
+001 h* 0.734176 0.634835 0.078573 0 0 0
+016 o* 0.251888 0.381797 0.256440 0 0 0
+001 h* 0.253243 0.363626 0.236954 0 0 0
+001 h* 0.228352 0.421086 0.251967 0 0 0
+016 o* 0.160917 0.980499 0.173553 0 0 0
+001 h* 0.150149 0.937150 0.182721 0 0 0
+001 h* 0.188374 0.000695 0.186567 0 0 0
+016 o* 0.966605 0.633305 0.155367 0 0 0
+001 h* 0.958679 0.624107 0.135240 0 0 0
+001 h* 0.960173 0.681881 0.157919 0 0 0
+016 o* 0.348872 0.388040 0.583056 0 0 0
+001 h* 0.335016 0.353921 0.570156 0 0 0
+001 h* 0.353324 0.368580 0.602825 0 0 0
+016 o* 0.556593 0.343688 0.154722 0 0 0
+001 h* 0.556703 0.327455 0.174416 0 0 0
+001 h* 0.564023 0.300145 0.144289 0 0 0
+016 o* 0.288299 0.508854 0.411352 0 0 0
+001 h* 0.289152 0.511002 0.389472 0 0 0
+001 h* 0.313324 0.544829 0.415778 0 0 0
+016 o* 0.907991 0.706430 0.238408 0 0 0
+001 h* 0.884440 0.717048 0.254659 0 0 0
+001 h* 0.898650 0.739127 0.224302 0 0 0
+016 o* 0.000672 0.599984 0.407465 0 0 0
+001 h* 0.017150 0.618016 0.425102 0 0 0
+001 h* 0.012146 0.630315 0.390790 0 0 0
+016 o* 0.859728 0.391082 0.201865 0 0 0
+001 h* 0.856555 0.385341 0.181268 0 0 0
+001 h* 0.840649 0.433487 0.203727 0 0 0
+016 o* 0.901013 0.360312 0.390680 0 0 0
+001 h* 0.870563 0.349592 0.377835 0 0 0
+001 h* 0.914864 0.396548 0.377344 0 0 0
+016 o* 0.929318 0.056440 0.488137 0 0 0
+001 h* 0.891856 0.046681 0.490163 0 0 0
+001 h* 0.937156 0.035967 0.469634 0 0 0
+016 o* 0.291338 0.268900 0.162803 0 0 0
+001 h* 0.329342 0.259228 0.166227 0 0 0
+001 h* 0.292284 0.288645 0.142981 0 0 0
+016 o* 0.766156 0.195823 0.585289 0 0 0
+001 h* 0.802407 0.200382 0.580723 0 0 0
+001 h* 0.765557 0.201723 0.606389 0 0 0
+016 o* 0.230539 0.342885 0.202915 0 0 0
+001 h* 0.247413 0.309844 0.189891 0 0 0
+001 h* 0.242160 0.389272 0.195356 0 0 0
+016 o* 0.103251 0.598483 0.231668 0 0 0
+001 h* 0.132106 0.631811 0.229151 0 0 0
+001 h* 0.081233 0.603694 0.214915 0 0 0
+016 o* 0.440478 0.987412 0.037994 0 0 0
+001 h* 0.446291 0.977719 0.017472 0 0 0
+001 h* 0.419835 0.029323 0.038811 0 0 0
+016 o* 0.176712 0.463693 0.248277 0 0 0
+001 h* 0.164967 0.469161 0.269185 0 0 0
+001 h* 0.144234 0.455928 0.237879 0 0 0
+016 o* 0.592496 0.337754 0.030125 0 0 0
+001 h* 0.602946 0.344910 0.010470 0 0 0
+001 h* 0.589021 0.384436 0.038541 0 0 0
+016 o* 0.558224 0.652723 0.257220 0 0 0
+001 h* 0.528157 0.633645 0.245731 0 0 0
+001 h* 0.583520 0.660961 0.241805 0 0 0
+016 o* 0.961967 0.034981 0.536078 0 0 0
+001 h* 0.983423 0.994494 0.533227 0 0 0
+001 h* 0.949574 0.044663 0.516332 0 0 0
+016 o* 0.756203 0.765519 0.072013 0 0 0
+001 h* 0.730011 0.801667 0.076491 0 0 0
+001 h* 0.777886 0.764073 0.089794 0 0 0
+016 o* 0.046180 0.082096 0.245700 0 0 0
+001 h* 0.058835 0.129871 0.239947 0 0 0
+001 h* 0.068544 0.072245 0.262462 0 0 0
+016 o* 0.380274 0.588016 0.504635 0 0 0
+001 h* 0.345352 0.611891 0.506516 0 0 0
+001 h* 0.401921 0.613076 0.518713 0 0 0
+016 o* 0.797237 0.717482 0.248352 0 0 0
+001 h* 0.785366 0.746861 0.233264 0 0 0
+001 h* 0.815040 0.747147 0.262640 0 0 0
+016 o* 0.452862 0.902055 0.269094 0 0 0
+001 h* 0.477608 0.887012 0.283384 0 0 0
+001 h* 0.432251 0.861087 0.263249 0 0 0
+016 o* 0.397653 0.249211 0.584128 0 0 0
+001 h* 0.383842 0.263925 0.565325 0 0 0
+001 h* 0.433787 0.261600 0.588943 0 0 0
+016 o* 0.669189 0.279920 0.187678 0 0 0
+001 h* 0.674039 0.289199 0.166194 0 0 0
+001 h* 0.632168 0.268075 0.190459 0 0 0
+016 o* 0.096808 0.711652 0.583544 0 0 0
+001 h* 0.081166 0.665103 0.582287 0 0 0
+001 h* 0.079728 0.734184 0.567952 0 0 0
+016 o* 0.717420 0.360981 0.225411 0 0 0
+001 h* 0.699151 0.349225 0.207328 0 0 0
+001 h* 0.731342 0.316058 0.230847 0 0 0
+016 o* 0.984842 0.760250 0.031358 0 0 0
+001 h* 0.962938 0.722048 0.038745 0 0 0
+001 h* 0.997151 0.740515 0.013177 0 0 0
+016 o* 0.655472 0.182642 0.582186 0 0 0
+001 h* 0.650297 0.191060 0.562526 0 0 0
+001 h* 0.692680 0.170291 0.582857 0 0 0
+016 o* 0.121116 0.661007 0.155198 0 0 0
+001 h* 0.104966 0.682909 0.137649 0 0 0
+001 h* 0.145467 0.631113 0.145439 0 0 0
+016 o* 0.305780 0.522992 0.281774 0 0 0
+001 h* 0.276014 0.538760 0.269831 0 0 0
+001 h* 0.310133 0.558934 0.295867 0 0 0
+016 o* 0.243017 0.273205 0.533009 0 0 0
+001 h* 0.235937 0.282608 0.553651 0 0 0
+001 h* 0.219539 0.305054 0.522375 0 0 0
+016 o* 0.761379 0.204485 0.181706 0 0 0
+001 h* 0.788789 0.228977 0.192424 0 0 0
+001 h* 0.727451 0.227505 0.182882 0 0 0
+016 o* 0.080252 0.702126 0.313481 0 0 0
+001 h* 0.094973 0.748080 0.311909 0 0 0
+001 h* 0.042219 0.712400 0.310203 0 0 0
+016 o* 0.771525 0.721569 0.436317 0 0 0
+001 h* 0.748926 0.680929 0.440540 0 0 0
+001 h* 0.748181 0.744399 0.422100 0 0 0
+016 o* 0.010414 0.757617 0.461554 0 0 0
+001 h* 0.980387 0.778042 0.452672 0 0 0
+001 h* 0.026273 0.793865 0.473477 0 0 0
+016 o* 0.958971 0.314488 0.540794 0 0 0
+001 h* 0.930696 0.323856 0.525912 0 0 0
+001 h* 0.988648 0.292763 0.531318 0 0 0
+016 o* 0.541755 0.872415 0.566758 0 0 0
+001 h* 0.565193 0.899374 0.555061 0 0 0
+001 h* 0.566319 0.847572 0.578643 0 0 0
+016 o* 0.666899 0.719071 0.560658 0 0 0
+001 h* 0.656802 0.757004 0.572187 0 0 0
+001 h* 0.702781 0.733198 0.554079 0 0 0
+016 o* 0.626556 0.723961 0.372769 0 0 0
+001 h* 0.637661 0.680231 0.365895 0 0 0
+001 h* 0.602651 0.716153 0.388477 0 0 0
+016 o* 0.601821 0.929461 0.477178 0 0 0
+001 h* 0.631818 0.899538 0.475207 0 0 0
+001 h* 0.578116 0.911418 0.462778 0 0 0
+016 o* 0.443432 0.661346 0.533331 0 0 0
+001 h* 0.440652 0.659421 0.554396 0 0 0
+001 h* 0.454854 0.708562 0.528387 0 0 0
+016 o* 0.038932 0.555449 0.270365 0 0 0
+001 h* 0.052737 0.513619 0.280139 0 0 0
+001 h* 0.067267 0.574182 0.258096 0 0 0
+016 o* 0.773185 0.070975 0.426250 0 0 0
+001 h* 0.810247 0.069604 0.431591 0 0 0
+001 h* 0.752617 0.032513 0.434014 0 0 0
+016 o* 0.422269 0.343415 0.032379 0 0 0
+001 h* 0.407838 0.335580 0.013113 0 0 0
+001 h* 0.442637 0.387283 0.033341 0 0 0
+016 o* 0.862113 0.201750 0.527930 0 0 0
+001 h* 0.844463 0.240661 0.518234 0 0 0
+001 h* 0.858806 0.207308 0.548974 0 0 0
+016 o* 0.683493 0.111674 0.489250 0 0 0
+001 h* 0.667389 0.079549 0.475672 0 0 0
+001 h* 0.698049 0.142003 0.475083 0 0 0
+016 o* 0.428617 0.371827 0.374013 0 0 0
+001 h* 0.392986 0.389138 0.378439 0 0 0
+001 h* 0.446534 0.376454 0.392232 0 0 0
+016 o* 0.864697 0.287391 0.109005 0 0 0
+001 h* 0.885412 0.247024 0.109785 0 0 0
+001 h* 0.844180 0.280628 0.091326 0 0 0
+016 o* 0.222275 0.001798 0.587169 0 0 0
+001 h* 0.212340 0.988320 0.607392 0 0 0
+001 h* 0.252190 0.972208 0.581794 0 0 0
+016 o* 0.163352 0.170756 0.324431 0 0 0
+001 h* 0.166833 0.209946 0.337375 0 0 0
+001 h* 0.144535 0.188547 0.308527 0 0 0
+016 o* 0.018214 0.010649 0.450981 0 0 0
+001 h* 0.031481 0.055084 0.456250 0 0 0
+001 h* 0.019346 0.018883 0.430210 0 0 0
+016 o* 0.198853 0.725258 0.576514 0 0 0
+001 h* 0.204715 0.721817 0.597262 0 0 0
+001 h* 0.160244 0.724520 0.577755 0 0 0
+016 o* 0.109193 0.304380 0.580902 0 0 0
+001 h* 0.084014 0.264086 0.583154 0 0 0
+001 h* 0.112447 0.324833 0.599866 0 0 0
+016 o* 0.297147 0.166467 0.584057 0 0 0
+001 h* 0.285392 0.202759 0.571188 0 0 0
+001 h* 0.308798 0.187844 0.601950 0 0 0
+016 o* 0.496769 0.310416 0.471674 0 0 0
+001 h* 0.534206 0.294837 0.471326 0 0 0
+001 h* 0.482291 0.281396 0.487837 0 0 0
+016 o* 0.875392 0.747571 0.509943 0 0 0
+001 h* 0.894551 0.786545 0.519689 0 0 0
+001 h* 0.866992 0.768883 0.491267 0 0 0
+016 o* 0.796418 0.459374 0.077047 0 0 0
+001 h* 0.819365 0.458962 0.093826 0 0 0
+001 h* 0.818649 0.449851 0.060406 0 0 0
+016 o* 0.169390 0.529850 0.427923 0 0 0
+001 h* 0.142227 0.516239 0.441179 0 0 0
+001 h* 0.201330 0.528301 0.439776 0 0 0
+016 o* 0.932612 0.134694 0.224282 0 0 0
+001 h* 0.927322 0.174854 0.238106 0 0 0
+001 h* 0.959391 0.106171 0.232389 0 0 0
+016 o* 0.087707 0.903402 0.440312 0 0 0
+001 h* 0.067114 0.944887 0.436025 0 0 0
+001 h* 0.094943 0.893757 0.419441 0 0 0
+016 o* 0.920395 0.225252 0.389594 0 0 0
+001 h* 0.924972 0.275965 0.393598 0 0 0
+001 h* 0.950799 0.218814 0.377290 0 0 0
+016 o* 0.644938 0.341725 0.591591 0 0 0
+001 h* 0.622856 0.337745 0.608866 0 0 0
+001 h* 0.634811 0.386257 0.583378 0 0 0
+016 o* 0.107165 0.358761 0.298303 0 0 0
+001 h* 0.081689 0.376289 0.313601 0 0 0
+001 h* 0.117531 0.398644 0.286949 0 0 0
+016 o* 0.912852 0.571921 0.378168 0 0 0
+001 h* 0.940466 0.569572 0.393052 0 0 0
+001 h* 0.885508 0.602188 0.388265 0 0 0
+016 o* 0.658547 0.707381 0.464642 0 0 0
+001 h* 0.640671 0.683951 0.480747 0 0 0
+001 h* 0.674447 0.672831 0.453217 0 0 0
+016 o* 0.721496 0.369875 0.088498 0 0 0
+001 h* 0.728947 0.337689 0.072557 0 0 0
+001 h* 0.748833 0.408038 0.085040 0 0 0
+016 o* 0.292701 0.437982 0.030480 0 0 0
+001 h* 0.318741 0.406448 0.034732 0 0 0
+001 h* 0.261311 0.423489 0.041221 0 0 0
+016 o* 0.332160 0.384721 0.389437 0 0 0
+001 h* 0.313376 0.419398 0.399496 0 0 0
+001 h* 0.303634 0.352663 0.391432 0 0 0
+016 o* 0.895939 0.611962 0.325792 0 0 0
+001 h* 0.910132 0.574394 0.314822 0 0 0
+001 h* 0.902698 0.602288 0.345025 0 0 0
+016 o* 0.498840 0.393205 0.591100 0 0 0
+001 h* 0.480271 0.434325 0.587324 0 0 0
+001 h* 0.501155 0.375991 0.571016 0 0 0
+016 o* 0.600220 0.439054 0.334525 0 0 0
+001 h* 0.570172 0.452851 0.346167 0 0 0
+001 h* 0.630650 0.432350 0.347599 0 0 0
+016 o* 0.548848 0.217423 0.585901 0 0 0
+001 h* 0.545137 0.246961 0.569344 0 0 0
+001 h* 0.586587 0.209744 0.585848 0 0 0
+016 o* 0.317182 0.823359 0.505715 0 0 0
+001 h* 0.350375 0.819710 0.492598 0 0 0
+001 h* 0.319875 0.867688 0.516455 0 0 0
+016 o* 0.709023 0.879259 0.235815 0 0 0
+001 h* 0.670803 0.877089 0.233608 0 0 0
+001 h* 0.721238 0.853646 0.219412 0 0 0
+016 o* 0.560371 0.032933 0.222147 0 0 0
+001 h* 0.592620 0.036556 0.209841 0 0 0
+001 h* 0.548950 0.984358 0.222768 0 0 0
+016 o* 0.352682 0.866024 0.109889 0 0 0
+001 h* 0.324314 0.887441 0.120718 0 0 0
+001 h* 0.331826 0.851582 0.093668 0 0 0
+016 o* 0.946400 0.365671 0.234773 0 0 0
+001 h* 0.912926 0.383504 0.227640 0 0 0
+001 h* 0.972882 0.388149 0.222892 0 0 0
+016 o* 0.900881 0.144635 0.117294 0 0 0
+001 h* 0.923294 0.130281 0.132586 0 0 0
+001 h* 0.867392 0.126433 0.124826 0 0 0
+016 o* 0.044981 0.597378 0.092252 0 0 0
+001 h* 0.037074 0.559847 0.104521 0 0 0
+001 h* 0.077413 0.583175 0.082085 0 0 0
+016 o* 0.856801 0.118470 0.298449 0 0 0
+001 h* 0.854020 0.129159 0.319296 0 0 0
+001 h* 0.889149 0.088311 0.297130 0 0 0
+016 o* 0.893629 0.620741 0.525949 0 0 0
+001 h* 0.887187 0.670839 0.521523 0 0 0
+001 h* 0.858562 0.600982 0.526516 0 0 0
+016 o* 0.494900 0.850601 0.102573 0 0 0
+001 h* 0.527933 0.874027 0.107939 0 0 0
+001 h* 0.466680 0.887493 0.097382 0 0 0
+016 o* 0.712359 0.958118 0.421816 0 0 0
+001 h* 0.751108 0.947207 0.425024 0 0 0
+001 h* 0.702666 0.934690 0.404269 0 0 0
+016 o* 0.622268 0.087801 0.180109 0 0 0
+001 h* 0.588939 0.106300 0.169267 0 0 0
+001 h* 0.624188 0.041052 0.171690 0 0 0
+016 o* 0.355331 0.774664 0.362159 0 0 0
+001 h* 0.365760 0.741310 0.347516 0 0 0
+001 h* 0.371496 0.760033 0.380243 0 0 0
+016 o* 0.389917 0.097622 0.034058 0 0 0
+001 h* 0.353674 0.108282 0.038744 0 0 0
+001 h* 0.407512 0.137144 0.041946 0 0 0
+016 o* 0.761009 0.244391 0.246207 0 0 0
+001 h* 0.765287 0.238647 0.266860 0 0 0
+001 h* 0.796291 0.247359 0.238449 0 0 0
+016 o* 0.159672 0.315058 0.500872 0 0 0
+001 h* 0.147396 0.354047 0.512740 0 0 0
+001 h* 0.147519 0.330652 0.482545 0 0 0
+016 o* 0.811645 0.123983 0.148950 0 0 0
+001 h* 0.774037 0.115065 0.144111 0 0 0
+001 h* 0.805943 0.163545 0.161371 0 0 0
+016 o* 0.537031 0.790895 0.254326 0 0 0
+001 h* 0.553167 0.746474 0.258486 0 0 0
+001 h* 0.555333 0.810900 0.236655 0 0 0
+016 o* 0.079406 0.540423 0.034968 0 0 0
+001 h* 0.107882 0.569904 0.044466 0 0 0
+001 h* 0.082016 0.547648 0.014489 0 0 0
+016 o* 0.524179 0.925282 0.378986 0 0 0
+001 h* 0.517592 0.941684 0.360232 0 0 0
+001 h* 0.499510 0.951771 0.392312 0 0 0
+016 o* 0.261522 0.812623 0.344237 0 0 0
+001 h* 0.295726 0.792417 0.348856 0 0 0
+001 h* 0.273084 0.845687 0.330674 0 0 0
+016 o* 0.746330 0.000332 0.586404 0 0 0
+001 h* 0.761921 0.032982 0.573804 0 0 0
+001 h* 0.730581 0.964902 0.574743 0 0 0
+016 o* 0.296295 0.169750 0.277319 0 0 0
+001 h* 0.266747 0.199700 0.274706 0 0 0
+001 h* 0.313442 0.172636 0.258578 0 0 0
+016 o* 0.602068 0.797936 0.329697 0 0 0
+001 h* 0.608370 0.778279 0.348879 0 0 0
+001 h* 0.617428 0.764602 0.315823 0 0 0
+016 o* 0.674591 0.571893 0.543378 0 0 0
+001 h* 0.700338 0.595311 0.555573 0 0 0
+001 h* 0.655243 0.541540 0.557377 0 0 0
+016 o* 0.724144 0.358370 0.382877 0 0 0
+001 h* 0.763092 0.349482 0.385998 0 0 0
+001 h* 0.718481 0.317454 0.371895 0 0 0
+016 o* 0.449928 0.242750 0.512085 0 0 0
+001 h* 0.414582 0.260312 0.510548 0 0 0
+001 h* 0.447652 0.193850 0.519861 0 0 0
+016 o* 0.289311 0.498728 0.354103 0 0 0
+001 h* 0.304851 0.466164 0.340501 0 0 0
+001 h* 0.296856 0.542722 0.343576 0 0 0
+016 o* 0.315335 0.036732 0.436924 0 0 0
+001 h* 0.348247 0.015731 0.430757 0 0 0
+001 h* 0.325141 0.083009 0.432084 0 0 0
+016 o* 0.106742 0.736759 0.401115 0 0 0
+001 h* 0.074683 0.712003 0.404673 0 0 0
+001 h* 0.133023 0.700803 0.397829 0 0 0
+016 o* 0.211170 0.908291 0.231747 0 0 0
+001 h* 0.213248 0.956842 0.226819 0 0 0
+001 h* 0.184613 0.887564 0.217718 0 0 0
+016 o* 0.832833 0.578848 0.126587 0 0 0
+001 h* 0.851290 0.560759 0.143432 0 0 0
+001 h* 0.863524 0.583961 0.114089 0 0 0
+016 o* 0.027894 0.637555 0.461024 0 0 0
+001 h* 0.055918 0.628322 0.475696 0 0 0
+001 h* 0.027832 0.688559 0.462971 0 0 0
+016 o* 0.597023 0.371197 0.510043 0 0 0
+001 h* 0.612786 0.407365 0.497862 0 0 0
+001 h* 0.592653 0.334472 0.495997 0 0 0
+016 o* 0.034206 0.403731 0.331786 0 0 0
+001 h* 0.043569 0.447227 0.340806 0 0 0
+001 h* 0.997410 0.400869 0.325572 0 0 0
+016 o* 0.636502 0.988309 0.073062 0 0 0
+001 h* 0.647934 0.030239 0.080990 0 0 0
+001 h* 0.612354 0.999068 0.057453 0 0 0
+016 o* 0.917512 0.643078 0.458582 0 0 0
+001 h* 0.914286 0.638921 0.479063 0 0 0
+001 h* 0.956516 0.647884 0.455995 0 0 0
+016 o* 0.478256 0.773178 0.480991 0 0 0
+001 h* 0.445025 0.797611 0.476146 0 0 0
+001 h* 0.478901 0.788074 0.501307 0 0 0
+016 o* 0.495575 0.757177 0.063142 0 0 0
+001 h* 0.524738 0.725886 0.062180 0 0 0
+001 h* 0.510657 0.792192 0.076691 0 0 0
+016 o* 0.462796 0.632863 0.232580 0 0 0
+001 h* 0.453366 0.667891 0.219599 0 0 0
+001 h* 0.430893 0.618954 0.244970 0 0 0
+016 o* 0.981880 0.488381 0.560500 0 0 0
+001 h* 0.000271 0.452072 0.573096 0 0 0
+001 h* 0.978217 0.466659 0.541705 0 0 0
+016 o* 0.169009 0.742792 0.520288 0 0 0
+001 h* 0.129699 0.738962 0.520289 0 0 0
+001 h* 0.180149 0.736060 0.540198 0 0 0
+016 o* 0.515196 0.430725 0.085465 0 0 0
+001 h* 0.552937 0.426349 0.088534 0 0 0
+001 h* 0.500731 0.411857 0.102936 0 0 0
+016 o* 0.640237 0.044018 0.445750 0 0 0
+001 h* 0.626050 0.007685 0.458193 0 0 0
+001 h* 0.665967 0.019828 0.432872 0 0 0
+016 o* 0.956639 0.906576 0.472280 0 0 0
+001 h* 0.976870 0.869883 0.482082 0 0 0
+001 h* 0.982416 0.943650 0.468004 0 0 0
+016 o* 0.392896 0.458655 0.491281 0 0 0
+001 h* 0.384213 0.507341 0.493447 0 0 0
+001 h* 0.431648 0.446467 0.493538 0 0 0
+016 o* 0.073447 0.145096 0.114797 0 0 0
+001 h* 0.085048 0.105433 0.125707 0 0 0
+001 h* 0.105109 0.146879 0.102028 0 0 0
+016 o* 0.342712 0.294002 0.533989 0 0 0
+001 h* 0.305280 0.274090 0.534838 0 0 0
+001 h* 0.335795 0.325793 0.517715 0 0 0
+016 o* 0.631340 0.768401 0.026186 0 0 0
+001 h* 0.616146 0.734615 0.039160 0 0 0
+001 h* 0.653427 0.802768 0.035634 0 0 0
+016 o* 0.815623 0.975942 0.352625 0 0 0
+001 h* 0.827071 0.959691 0.333330 0 0 0
+001 h* 0.805548 0.023095 0.348653 0 0 0
+016 o* 0.831664 0.002233 0.499846 0 0 0
+001 h* 0.835351 0.978425 0.517737 0 0 0
+001 h* 0.792817 0.004255 0.496269 0 0 0
+016 o* 0.931467 0.961513 0.263235 0 0 0
+001 h* 0.922795 0.961308 0.242610 0 0 0
+001 h* 0.935612 0.010776 0.268044 0 0 0
+016 o* 0.774416 0.854524 0.506038 0 0 0
+001 h* 0.742746 0.859951 0.495275 0 0 0
+001 h* 0.799629 0.835753 0.491557 0 0 0
+016 o* 0.295031 0.776934 0.560544 0 0 0
+001 h* 0.264360 0.744413 0.560903 0 0 0
+001 h* 0.299502 0.790861 0.540390 0 0 0
+016 o* 0.457234 0.773340 0.304749 0 0 0
+001 h* 0.479939 0.764061 0.288873 0 0 0
+001 h* 0.479611 0.767854 0.321409 0 0 0
+016 o* 0.065073 0.571792 0.571477 0 0 0
+001 h* 0.089234 0.534143 0.575705 0 0 0
+001 h* 0.033427 0.543987 0.566502 0 0 0
+016 o* 0.203180 0.316708 0.108179 0 0 0
+001 h* 0.189429 0.270905 0.104654 0 0 0
+001 h* 0.243016 0.316793 0.110981 0 0 0
+016 o* 0.616386 0.461540 0.218637 0 0 0
+001 h* 0.599231 0.425842 0.229702 0 0 0
+001 h* 0.654522 0.454542 0.221133 0 0 0
+016 o* 0.696384 0.131821 0.222041 0 0 0
+001 h* 0.720235 0.170953 0.220243 0 0 0
+001 h* 0.674211 0.124837 0.205760 0 0 0
+016 o* 0.839463 0.802229 0.464766 0 0 0
+001 h* 0.859139 0.818591 0.447766 0 0 0
+001 h* 0.816233 0.766259 0.456630 0 0 0
+016 o* 0.039464 0.053186 0.334623 0 0 0
+001 h* 0.054564 0.043650 0.315636 0 0 0
+001 h* 0.064866 0.033266 0.348067 0 0 0
+016 o* 0.273565 0.275254 0.028987 0 0 0
+001 h* 0.246915 0.303148 0.038246 0 0 0
+001 h* 0.293842 0.245315 0.041910 0 0 0
+016 o* 0.746150 0.637135 0.113022 0 0 0
+001 h* 0.716033 0.607719 0.120124 0 0 0
+001 h* 0.777629 0.608045 0.115196 0 0 0
+016 o* 0.379260 0.074147 0.571417 0 0 0
+001 h* 0.392840 0.086513 0.589784 0 0 0
+001 h* 0.341866 0.088141 0.576471 0 0 0
+016 o* 0.356382 0.298330 0.439038 0 0 0
+001 h* 0.347708 0.320284 0.457002 0 0 0
+001 h* 0.375990 0.332679 0.427968 0 0 0
+016 o* 0.340530 0.769867 0.151303 0 0 0
+001 h* 0.372057 0.761131 0.139788 0 0 0
+001 h* 0.332732 0.810357 0.141573 0 0 0
+016 o* 0.840384 0.809312 0.041311 0 0 0
+001 h* 0.838934 0.813982 0.020421 0 0 0
+001 h* 0.803077 0.794676 0.046897 0 0 0
+016 o* 0.281647 0.663449 0.140319 0 0 0
+001 h* 0.285910 0.622033 0.152752 0 0 0
+001 h* 0.301582 0.698420 0.149819 0 0 0
+016 o* 0.089102 0.012156 0.290710 0 0 0
+001 h* 0.084766 0.961717 0.288787 0 0 0
+001 h* 0.117748 0.022568 0.303018 0 0 0
+016 o* 0.736328 0.013148 0.515714 0 0 0
+001 h* 0.725717 0.056120 0.507705 0 0 0
+001 h* 0.710010 0.987947 0.526924 0 0 0
+016 o* 0.681282 0.842915 0.470161 0 0 0
+001 h* 0.706618 0.855812 0.454690 0 0 0
+001 h* 0.673885 0.793529 0.467607 0 0 0
+016 o* 0.710764 0.065942 0.032044 0 0 0
+001 h* 0.744014 0.044437 0.037567 0 0 0
+001 h* 0.714547 0.067955 0.010681 0 0 0
+016 o* 0.092910 0.018988 0.509087 0 0 0
+001 h* 0.114356 0.995900 0.494354 0 0 0
+001 h* 0.075359 0.057680 0.499962 0 0 0
+016 o* 0.922556 0.252744 0.251314 0 0 0
+001 h* 0.891919 0.266605 0.262892 0 0 0
+001 h* 0.937499 0.298059 0.246327 0 0 0
+016 o* 0.218768 0.851309 0.489258 0 0 0
+001 h* 0.201659 0.815729 0.502082 0 0 0
+001 h* 0.257405 0.850938 0.491843 0 0 0
+016 o* 0.261059 0.672650 0.085184 0 0 0
+001 h* 0.262933 0.677788 0.106375 0 0 0
+001 h* 0.255515 0.626251 0.080317 0 0 0
+016 o* 0.264841 0.597655 0.557015 0 0 0
+001 h* 0.300591 0.599426 0.566410 0 0 0
+001 h* 0.273596 0.622211 0.538994 0 0 0
+016 o* 0.028822 0.226099 0.152266 0 0 0
+001 h* 0.049230 0.204676 0.137069 0 0 0
+001 h* 0.004554 0.192013 0.160310 0 0 0
+016 o* 0.105136 0.489676 0.468071 0 0 0
+001 h* 0.113891 0.535532 0.474755 0 0 0
+001 h* 0.069144 0.479017 0.474637 0 0 0
+016 o* 0.922334 0.865994 0.422723 0 0 0
+001 h* 0.926574 0.882606 0.442219 0 0 0
+001 h* 0.921995 0.905784 0.410896 0 0 0
+016 o* 0.974606 0.724631 0.303475 0 0 0
+001 h* 0.948430 0.756343 0.297430 0 0 0
+001 h* 0.953000 0.687265 0.311811 0 0 0
+016 o* 0.872507 0.485408 0.579416 0 0 0
+001 h* 0.864305 0.485473 0.600316 0 0 0
+001 h* 0.908043 0.498503 0.573037 0 0 0
+016 o* 0.348731 0.165371 0.435648 0 0 0
+001 h* 0.347424 0.216626 0.437818 0 0 0
+001 h* 0.354545 0.144817 0.454668 0 0 0
+016 o* 0.957647 0.134203 0.165792 0 0 0
+001 h* 0.976274 0.090086 0.166373 0 0 0
+001 h* 0.946330 0.145149 0.185518 0 0 0
+016 o* 0.813482 0.023461 0.042664 0 0 0
+001 h* 0.852368 0.024628 0.047717 0 0 0
+001 h* 0.817105 0.008074 0.024085 0 0 0
+016 o* 0.623856 0.488632 0.580279 0 0 0
+001 h* 0.586336 0.496563 0.573667 0 0 0
+001 h* 0.616492 0.480471 0.601079 0 0 0
+016 o* 0.301011 0.236669 0.390354 0 0 0
+001 h* 0.279082 0.262763 0.403826 0 0 0
+001 h* 0.323975 0.209179 0.403476 0 0 0
+016 o* 0.380602 0.619973 0.263168 0 0 0
+001 h* 0.381910 0.660120 0.275097 0 0 0
+001 h* 0.342895 0.610698 0.259282 0 0 0
+016 o* 0.101135 0.833500 0.311261 0 0 0
+001 h* 0.067394 0.842844 0.321725 0 0 0
+001 h* 0.127820 0.825897 0.326399 0 0 0
+016 o* 0.180059 0.452261 0.116246 0 0 0
+001 h* 0.191588 0.405639 0.111624 0 0 0
+001 h* 0.152454 0.446663 0.130964 0 0 0
+016 o* 0.318236 0.947382 0.293037 0 0 0
+001 h* 0.284463 0.921256 0.292157 0 0 0
+001 h* 0.343352 0.910303 0.297926 0 0 0
+016 o* 0.579215 0.669199 0.588067 0 0 0
+001 h* 0.568243 0.625702 0.581514 0 0 0
+001 h* 0.610451 0.678047 0.575683 0 0 0
+016 o* 0.556671 0.876555 0.433443 0 0 0
+001 h* 0.566974 0.885402 0.412838 0 0 0
+001 h* 0.529295 0.840789 0.430778 0 0 0
+016 o* 0.243406 0.548386 0.222437 0 0 0
+001 h* 0.217598 0.518527 0.233251 0 0 0
+001 h* 0.262160 0.518220 0.209237 0 0 0
+016 o* 0.029422 0.203619 0.067819 0 0 0
+001 h* 0.043336 0.181763 0.085454 0 0 0
+001 h* 0.992889 0.183207 0.065931 0 0 0
+016 o* 0.919193 0.844802 0.316491 0 0 0
+001 h* 0.923654 0.889307 0.324072 0 0 0
+001 h* 0.938939 0.815886 0.330213 0 0 0
+016 o* 0.118598 0.019006 0.369582 0 0 0
+001 h* 0.149821 0.048005 0.370784 0 0 0
+001 h* 0.131535 0.974181 0.372845 0 0 0
+016 o* 0.114864 0.401013 0.537019 0 0 0
+001 h* 0.118649 0.442253 0.549517 0 0 0
+001 h* 0.115140 0.361255 0.550673 0 0 0
+016 o* 0.227681 0.233329 0.456956 0 0 0
+001 h* 0.248331 0.239204 0.474503 0 0 0
+001 h* 0.198280 0.263857 0.458016 0 0 0
+016 o* 0.859560 0.141436 0.356897 0 0 0
+001 h* 0.876959 0.173747 0.370214 0 0 0
+001 h* 0.822169 0.150814 0.360102 0 0 0
+016 o* 0.964567 0.957284 0.343616 0 0 0
+001 h* 0.992235 0.989990 0.347397 0 0 0
+001 h* 0.981769 0.914744 0.336763 0 0 0
+016 o* 0.275866 0.463433 0.181237 0 0 0
+001 h* 0.314777 0.451795 0.185169 0 0 0
+001 h* 0.274991 0.474193 0.161418 0 0 0
+016 o* 0.155194 0.598119 0.065800 0 0 0
+001 h* 0.184361 0.589413 0.051178 0 0 0
+001 h* 0.170312 0.602983 0.084159 0 0 0
+016 o* 0.477799 0.270802 0.100669 0 0 0
+001 h* 0.496223 0.261021 0.118487 0 0 0
+001 h* 0.507060 0.288657 0.088571 0 0 0
+016 o* 0.356801 0.879576 0.414498 0 0 0
+001 h* 0.360886 0.856042 0.396973 0 0 0
+001 h* 0.373015 0.922801 0.414674 0 0 0
+016 o* 0.018451 0.020977 0.395665 0 0 0
+001 h* 0.055252 0.020436 0.389481 0 0 0
+001 h* 0.996489 0.049048 0.383462 0 0 0
+016 o* 0.591187 0.274039 0.468248 0 0 0
+001 h* 0.605849 0.307254 0.454228 0 0 0
+001 h* 0.584916 0.229193 0.459432 0 0 0
+016 o* 0.119516 0.413231 0.039745 0 0 0
+001 h* 0.097730 0.373507 0.043461 0 0 0
+001 h* 0.101175 0.456709 0.041985 0 0 0
+016 o* 0.427198 0.909983 0.530642 0 0 0
+001 h* 0.390173 0.928642 0.528928 0 0 0
+001 h* 0.448666 0.924254 0.514541 0 0 0
+016 o* 0.790561 0.290779 0.415158 0 0 0
+001 h* 0.826601 0.272334 0.413298 0 0 0
+001 h* 0.766403 0.252341 0.418398 0 0 0
+016 o* 0.835591 0.272401 0.050244 0 0 0
+001 h* 0.801137 0.291449 0.044589 0 0 0
+001 h* 0.864556 0.297053 0.039954 0 0 0
+016 o* 0.974881 0.332814 0.131642 0 0 0
+001 h* 0.944852 0.305210 0.126225 0 0 0
+001 h* 0.996283 0.302952 0.144662 0 0 0
+016 o* 0.388482 0.687672 0.324781 0 0 0
+001 h* 0.412740 0.714684 0.312170 0 0 0
+001 h* 0.412829 0.660623 0.336380 0 0 0
+016 o* 0.798642 0.418718 0.308936 0 0 0
+001 h* 0.794967 0.467963 0.308099 0 0 0
+001 h* 0.761226 0.402887 0.309943 0 0 0
+016 o* 0.019712 0.904233 0.271344 0 0 0
+001 h* 0.015676 0.857025 0.277380 0 0 0
+001 h* 0.980396 0.916967 0.271879 0 0 0
+016 o* 0.087670 0.915455 0.052655 0 0 0
+001 h* 0.080411 0.921209 0.073395 0 0 0
+001 h* 0.122243 0.935353 0.048559 0 0 0
+016 o* 0.059696 0.960349 0.226216 0 0 0
+001 h* 0.062808 0.007579 0.232535 0 0 0
+001 h* 0.037704 0.937725 0.241725 0 0 0
+016 o* 0.581738 0.030437 0.030977 0 0 0
+001 h* 0.609538 0.059898 0.023388 0 0 0
+001 h* 0.549913 0.060003 0.032226 0 0 0
+016 o* 0.305676 0.613924 0.323040 0 0 0
+001 h* 0.339039 0.636393 0.327164 0 0 0
+001 h* 0.287711 0.647282 0.309733 0 0 0
+016 o* 0.319036 0.208066 0.069582 0 0 0
+001 h* 0.304065 0.167762 0.060620 0 0 0
+001 h* 0.358608 0.201736 0.069495 0 0 0
+016 o* 0.468134 0.615888 0.472693 0 0 0
+001 h* 0.432244 0.604100 0.479656 0 0 0
+001 h* 0.471750 0.663955 0.478647 0 0 0
+016 o* 0.254346 0.685738 0.280330 0 0 0
+001 h* 0.260608 0.729764 0.271985 0 0 0
+001 h* 0.223695 0.671782 0.270516 0 0 0
+016 o* 0.115301 0.608776 0.495279 0 0 0
+001 h* 0.131393 0.598427 0.514363 0 0 0
+001 h* 0.130777 0.652567 0.486905 0 0 0
+016 o* 0.450483 0.841528 0.027546 0 0 0
+001 h* 0.462825 0.803748 0.040367 0 0 0
+001 h* 0.463380 0.885452 0.036083 0 0 0
+016 o* 0.191362 0.308640 0.323340 0 0 0
+001 h* 0.158381 0.329211 0.315627 0 0 0
+001 h* 0.212824 0.341489 0.335019 0 0 0
+016 o* 0.709302 0.592259 0.421977 0 0 0
+001 h* 0.683314 0.570127 0.435506 0 0 0
+001 h* 0.744146 0.566096 0.422958 0 0 0
+016 o* 0.161395 0.167804 0.033437 0 0 0
+001 h* 0.193692 0.152386 0.024198 0 0 0
+001 h* 0.151211 0.195584 0.017276 0 0 0
+016 o* 0.192358 0.186145 0.236438 0 0 0
+001 h* 0.201837 0.219192 0.251897 0 0 0
+001 h* 0.170989 0.207929 0.223377 0 0 0
+016 o* 0.413571 0.482340 0.323000 0 0 0
+001 h* 0.377811 0.464220 0.318834 0 0 0
+001 h* 0.413001 0.509826 0.339667 0 0 0
+016 o* 0.125290 0.872690 0.198026 0 0 0
+001 h* 0.104787 0.834385 0.190947 0 0 0
+001 h* 0.100340 0.899435 0.209657 0 0 0
+016 o* 0.576529 0.141419 0.450489 0 0 0
+016 o* 0.215271 0.377032 0.056644 0 0 0
+001 h* 0.182193 0.395261 0.047649 0 0 0
+001 h* 0.597812 0.101101 0.443743 0 0 0
+001 h* 0.206380 0.351959 0.074320 0 0 0
+001 h* 0.542080 0.139701 0.442770 0 0 0
+016 o* 0.469048 0.142208 0.447894 0 0 0
+001 h* 0.441338 0.172445 0.453734 0 0 0
+001 h* 0.455499 0.111923 0.434000 0 0 0
+016 o* 0.165903 0.571598 0.541275 0 0 0
+001 h* 0.144794 0.571929 0.558775 0 0 0
+001 h* 0.200786 0.582435 0.547217 0 0 0
+016 o* 0.902549 0.640045 0.585164 0 0 0
+001 h* 0.908794 0.621917 0.566473 0 0 0
+001 h* 0.921169 0.684505 0.586932 0 0 0
+016 o* 0.683740 0.855952 0.071644 0 0 0
+001 h* 0.681207 0.844043 0.092162 0 0 0
+001 h* 0.659586 0.895502 0.072399 0 0 0
+016 o* 0.844633 0.261375 0.207874 0 0 0
+001 h* 0.845629 0.308764 0.203557 0 0 0
+001 h* 0.880237 0.255861 0.216596 0 0 0
+016 o* 0.617726 0.656450 0.514298 0 0 0
+001 h* 0.636808 0.624756 0.527126 0 0 0
+001 h* 0.622771 0.697265 0.524640 0 0 0
+016 o* 0.787891 0.587714 0.324673 0 0 0
+001 h* 0.787402 0.553784 0.339938 0 0 0
+001 h* 0.823468 0.607063 0.324513 0 0 0
+016 o* 0.384821 0.862833 0.320166 0 0 0
+001 h* 0.408924 0.836332 0.308542 0 0 0
+001 h* 0.374096 0.824010 0.331765 0 0 0
+016 o* 0.244801 0.594749 0.032324 0 0 0
+001 h* 0.271885 0.629753 0.026090 0 0 0
+001 h* 0.230298 0.575795 0.014053 0 0 0
+016 o* 0.287020 0.120948 0.184132 0 0 0
+001 h* 0.295059 0.085613 0.171085 0 0 0
+001 h* 0.254912 0.144848 0.178385 0 0 0
+016 o* 0.713834 0.147068 0.298629 0 0 0
+001 h* 0.695852 0.107090 0.306011 0 0 0
+001 h* 0.695415 0.165298 0.282174 0 0 0
+016 o* 0.043014 0.849302 0.495170 0 0 0
+001 h* 0.068246 0.866238 0.480328 0 0 0
+001 h* 0.053602 0.876958 0.511668 0 0 0
+016 o* 0.288580 0.671532 0.509065 0 0 0
+001 h* 0.268497 0.657709 0.492930 0 0 0
+001 h* 0.309625 0.713149 0.504406 0 0 0
+016 o* 0.919987 0.835215 0.534974 0 0 0
+001 h* 0.892776 0.868209 0.542727 0 0 0
+001 h* 0.953225 0.849562 0.543623 0 0 0
+016 o* 0.702475 0.295615 0.478573 0 0 0
+001 h* 0.666196 0.288281 0.485111 0 0 0
+001 h* 0.706695 0.256023 0.465407 0 0 0
+016 o* 0.794445 0.220041 0.301524 0 0 0
+001 h* 0.815251 0.178520 0.298547 0 0 0
+001 h* 0.760203 0.194715 0.302117 0 0 0
+016 o* 0.222999 0.853137 0.028887 0 0 0
+001 h* 0.205573 0.898543 0.030392 0 0 0
+001 h* 0.216000 0.841056 0.008242 0 0 0
+016 o* 0.000766 0.509100 0.499290 0 0 0
+001 h* 0.961533 0.502617 0.501097 0 0 0
+001 h* 0.015587 0.463336 0.501655 0 0 0
+016 o* 0.735687 0.305239 0.033458 0 0 0
+001 h* 0.738744 0.319185 0.013078 0 0 0
+001 h* 0.718086 0.260484 0.032772 0 0 0
+016 o* 0.034843 0.122793 0.558020 0 0 0
+001 h* 0.066325 0.093580 0.557608 0 0 0
+001 h* 0.005369 0.099793 0.548042 0 0 0
+016 o* 0.189922 0.122374 0.548179 0 0 0
+001 h* 0.189266 0.079373 0.558117 0 0 0
+001 h* 0.209291 0.155358 0.560294 0 0 0
+016 o* 0.112623 0.882304 0.386288 0 0 0
+001 h* 0.110877 0.832000 0.388728 0 0 0
+001 h* 0.151396 0.889466 0.381945 0 0 0
+016 o* 0.207050 0.173543 0.153829 0 0 0
+001 h* 0.227903 0.214985 0.157683 0 0 0
+001 h* 0.218891 0.152250 0.135949 0 0 0
+016 o* 0.131365 0.422919 0.396888 0 0 0
+001 h* 0.098572 0.440203 0.389936 0 0 0
+001 h* 0.148546 0.459286 0.408054 0 0 0
+016 o* 0.971649 0.496953 0.439454 0 0 0
+001 h* 0.990489 0.533884 0.429468 0 0 0
+001 h* 0.990393 0.505009 0.458451 0 0 0
+016 o* 0.449958 0.643305 0.132702 0 0 0
+001 h* 0.446497 0.668640 0.150758 0 0 0
+001 h* 0.428741 0.666216 0.118414 0 0 0
+016 o* 0.245302 0.470374 0.581583 0 0 0
+001 h* 0.254131 0.511400 0.570963 0 0 0
+001 h* 0.275824 0.440957 0.582543 0 0 0
+016 o* 0.577680 0.693252 0.423681 0 0 0
+001 h* 0.599598 0.712512 0.439191 0 0 0
+001 h* 0.584696 0.643794 0.423939 0 0 0
+016 o* 0.809798 0.153913 0.029232 0 0 0
+001 h* 0.789201 0.120555 0.040749 0 0 0
+001 h* 0.819507 0.196580 0.039688 0 0 0
+016 o* 0.212698 0.909607 0.290222 0 0 0
+001 h* 0.196503 0.907690 0.270774 0 0 0
+001 h* 0.196391 0.942094 0.302409 0 0 0
+016 o* 0.763854 0.001233 0.193458 0 0 0
+001 h* 0.797807 0.027265 0.195479 0 0 0
+001 h* 0.754334 0.983432 0.211552 0 0 0
+016 o* 0.893601 0.981986 0.387261 0 0 0
+001 h* 0.859441 0.989398 0.377182 0 0 0
+001 h* 0.911994 0.967898 0.370373 0 0 0
+016 o* 0.345994 0.875363 0.032244 0 0 0
+001 h* 0.326220 0.850485 0.017126 0 0 0
+001 h* 0.382621 0.860739 0.029894 0 0 0
+016 o* 0.135583 0.604364 0.332395 0 0 0
+001 h* 0.107777 0.637078 0.325413 0 0 0
+001 h* 0.158770 0.634293 0.343877 0 0 0
+016 o* 0.767760 0.551416 0.587092 0 0 0
+001 h* 0.793294 0.530545 0.574416 0 0 0
+001 h* 0.784703 0.591820 0.593749 0 0 0
+016 o* 0.408095 0.712776 0.403201 0 0 0
+001 h* 0.434463 0.702429 0.389033 0 0 0
+001 h* 0.429468 0.735731 0.418530 0 0 0
+016 o* 0.380949 0.285402 0.276987 0 0 0
+001 h* 0.376122 0.324484 0.264686 0 0 0
+001 h* 0.419433 0.284522 0.280519 0 0 0
+016 o* 0.474198 0.441306 0.285636 0 0 0
+001 h* 0.505016 0.468548 0.280842 0 0 0
+001 h* 0.454229 0.459549 0.301868 0 0 0
+016 o* 0.330878 0.946747 0.532139 0 0 0
+001 h* 0.320919 0.934869 0.552349 0 0 0
+001 h* 0.315769 0.992218 0.526488 0 0 0
+016 o* 0.644681 0.610351 0.033905 0 0 0
+001 h* 0.633868 0.590964 0.015032 0 0 0
+001 h* 0.683084 0.621010 0.030573 0 0 0
+016 o* 0.446411 0.242703 0.221926 0 0 0
+001 h* 0.452867 0.276780 0.236910 0 0 0
+001 h* 0.415561 0.216387 0.228633 0 0 0
+016 o* 0.062159 0.123643 0.468104 0 0 0
+001 h* 0.096484 0.140292 0.475649 0 0 0
+001 h* 0.046885 0.158536 0.455317 0 0 0
+016 o* 0.184929 0.588312 0.124697 0 0 0
+001 h* 0.178385 0.541175 0.116096 0 0 0
+001 h* 0.222236 0.584908 0.127354 0 0 0
+016 o* 0.670382 0.466543 0.490994 0 0 0
+001 h* 0.676608 0.479957 0.510930 0 0 0
+001 h* 0.704058 0.455858 0.483645 0 0 0
+016 o* 0.978695 0.518998 0.030833 0 0 0
+001 h* 0.010813 0.539021 0.036980 0 0 0
+001 h* 0.970583 0.476007 0.040799 0 0 0
+016 o* 0.215361 0.004332 0.431296 0 0 0
+001 h* 0.199056 0.994250 0.450419 0 0 0
+001 h* 0.252364 0.017067 0.433462 0 0 0
+035 Cl 0.421146 0.008546 0.398485 0 0 0
+035 Cl 0.586865 0.866436 0.207261 0 0 0
+207 Pb 0.365399 0.190125 0.314449 0 0 0
diff --git a/tools/lmp2cfg/examples/dump.atom b/tools/lmp2cfg/examples/dump.atom
new file mode 100755
index 0000000000..b7fb94b170
--- /dev/null
+++ b/tools/lmp2cfg/examples/dump.atom
@@ -0,0 +1,8721 @@
+ITEM: TIMESTEP
+0
+ITEM: NUMBER OF ATOMS
+2898
+ITEM: BOX BOUNDS
+0 26.052
+0 20.312
+0 48.3627
+ITEM: ATOMS
+26 3 0.0669087 0.0778283 0.00304092
+54 3 0.237678 0.22248 0.00156454
+142 3 0.0141504 0.481749 0.000123399
+160 3 0.134085 0.459324 0.00211144
+252 3 0.96657 0.571315 0.00163519
+272 3 0.129071 0.730827 0.00336182
+278 3 0.220843 0.713894 0.00351503
+362 3 0.0488184 0.826148 0.00245454
+366 3 0.00661038 0.962154 0.00281388
+502 3 0.553621 0.204065 0.0044645
+590 3 0.342716 0.463784 0.000223188
+608 3 0.456706 0.460971 0.00258432
+614 3 0.574226 0.453466 0.00452889
+702 3 0.34482 0.710915 0.00299994
+720 3 0.449583 0.715638 0.00230128
+728 3 0.507175 0.58571 0.00166387
+814 3 0.33967 0.942297 0.002419
+838 3 0.559798 0.98045 0.00192501
+840 3 0.497959 0.8239 0.000619072
+952 3 0.834549 0.107157 0.00140248
+1038 3 0.660402 0.457389 0.00419113
+1056 3 0.786547 0.477685 0.00488235
+1176 3 0.834754 0.584445 0.0013143
+1258 3 0.737585 0.848533 0.00222906
+1260 3 0.627264 0.821121 0.000775144
+1262 3 0.670344 0.958401 0.0037678
+1280 3 0.771456 0.945577 0.000374697
+1286 3 0.908563 0.962151 0.0043686
+1345 4 0.0525231 0.585468 0.17875
+1346 5 0.0170994 0.602558 0.169748
+1347 5 0.0796927 0.611965 0.168493
+1348 4 0.296347 0.986423 0.0526799
+1349 5 0.308871 0.939961 0.0491786
+1350 5 0.307562 0.00194577 0.0720872
+1360 4 0.0752044 0.756468 0.181964
+1361 5 0.0902143 0.713352 0.174404
+1362 5 0.0455364 0.749729 0.195825
+1369 4 0.643057 0.966995 0.153815
+1370 5 0.638386 0.947895 0.173237
+1371 5 0.673538 0.944405 0.145948
+1381 4 0.921311 0.626483 0.0886602
+1382 5 0.958298 0.612261 0.0824945
+1383 5 0.907828 0.661729 0.0749108
+1384 4 0.915035 0.0142051 0.0565412
+1385 5 0.951289 0.00999613 0.0501017
+1386 5 0.910539 0.96818 0.062795
+1408 4 0.262928 0.536788 0.0820521
+1409 5 0.252246 0.489096 0.0851063
+1410 5 0.258454 0.54921 0.0619457
+1411 4 0.815287 0.590731 0.0456711
+1412 5 0.783731 0.619747 0.0482903
+1413 5 0.807657 0.550349 0.055712
+1417 4 0.180938 0.986342 0.0379154
+1418 5 0.157504 0.0158639 0.0282092
+1419 5 0.211152 0.990544 0.0239926
+1429 4 0.865232 0.455055 0.0373042
+1430 5 0.896861 0.479446 0.043493
+1431 5 0.872426 0.457118 0.0171344
+1450 4 0.452538 0.807844 0.159335
+1451 5 0.438911 0.827669 0.142218
+1452 5 0.491344 0.808634 0.158885
+1453 4 0.470833 0.440381 0.167707
+1454 5 0.499857 0.408702 0.163173
+1455 5 0.481039 0.458765 0.186648
+1465 4 0.47294 0.459398 0.0375556
+1466 5 0.490867 0.452081 0.0558076
+1467 5 0.47581 0.510284 0.0355053
+1468 4 0.0841904 0.0969577 0.0447505
+1469 5 0.116774 0.123307 0.0406448
+1470 5 0.056706 0.131448 0.0503734
+1477 4 0.228721 0.100658 0.111276
+1478 5 0.209519 0.0568076 0.110481
+1479 5 0.26396 0.0891486 0.104246
+1480 4 0.916487 0.472429 0.113836
+1481 5 0.955432 0.473151 0.11759
+1482 5 0.915198 0.465675 0.0923946
+1492 4 0.395313 0.907375 0.183386
+1493 5 0.41364 0.867615 0.174425
+1494 5 0.420136 0.933917 0.194814
+1498 4 0.165247 0.750281 0.0327667
+1499 5 0.184853 0.794082 0.032602
+1500 5 0.15418 0.752857 0.0529101
+1519 4 0.0807126 0.0453467 0.146489
+1520 5 0.0493789 0.0392775 0.158038
+1521 5 0.11084 0.0311655 0.1581
+1522 4 0.794015 0.651218 0.18594
+1523 5 0.816556 0.61349 0.189694
+1524 5 0.758897 0.630869 0.191315
+1531 4 0.241158 0.805128 0.0798488
+1532 5 0.249435 0.825962 0.0620817
+1533 5 0.246544 0.755134 0.0777581
+1537 4 0.6058 0.694023 0.124053
+1538 5 0.582577 0.731626 0.12751
+1539 5 0.580935 0.654663 0.128032
+1549 4 0.681629 0.812305 0.122793
+1550 5 0.689325 0.841945 0.140038
+1551 5 0.670644 0.764726 0.127013
+1552 4 0.726434 0.894507 0.158312
+1553 5 0.736771 0.852257 0.168726
+1554 5 0.740401 0.932605 0.169666
+1558 4 0.577458 0.230043 0.124953
+1559 5 0.567252 0.186532 0.133709
+1560 5 0.601365 0.221176 0.10843
+1561 4 0.04097 0.321314 0.0368445
+1562 5 0.0425461 0.315502 0.0166601
+1563 5 0.0450441 0.27548 0.0448813
+1568 5 0.420617 0.776837 0.196782
+1573 4 0.30431 0.304414 0.108532
+1574 5 0.332918 0.334306 0.0991835
+1575 5 0.30377 0.263394 0.0978555
+1576 4 0.579065 0.924874 0.112486
+1577 5 0.598758 0.942628 0.129315
+1578 5 0.597675 0.944993 0.0954181
+1582 4 0.897197 0.884609 0.0802745
+1583 5 0.880624 0.858886 0.0638109
+1584 5 0.867578 0.884837 0.0937719
+1591 4 0.867048 0.8029 0.191152
+1592 5 0.886111 0.841456 0.18145
+1593 5 0.870575 0.766653 0.176664
+1597 4 0.341583 0.0180123 0.158159
+1598 5 0.37601 0.043733 0.156867
+1599 5 0.356869 0.982333 0.171491
+1600 4 0.121972 0.215449 0.184719
+1601 5 0.156204 0.199975 0.175218
+1602 5 0.0967717 0.2252 0.169207
+1603 4 0.404961 0.120665 0.109222
+1604 5 0.422258 0.150663 0.122255
+1605 5 0.432425 0.09572 0.0993699
+1615 4 0.557899 0.800399 0.149684
+1616 5 0.567629 0.810386 0.169862
+1617 5 0.566407 0.839461 0.13872
+1621 4 0.324904 0.0451233 0.100629
+1622 5 0.351889 0.0838768 0.102739
+1623 5 0.329185 0.0191011 0.118426
+1624 4 0.897744 0.688498 0.0412583
+1625 5 0.865012 0.662185 0.0412396
+1626 5 0.885153 0.734796 0.0452088
+1633 4 0.00637162 0.992131 0.0391557
+1634 5 0.0287122 0.951438 0.0427165
+1635 5 0.0268983 0.0335843 0.0440267
+1639 4 0.971579 0.412954 0.0656112
+1640 5 0.991888 0.380597 0.0548891
+1641 5 0.974818 0.392806 0.0846477
+1648 4 0.976489 0.868355 0.114534
+1649 5 0.0037912 0.901069 0.107149
+1650 5 0.949594 0.861951 0.0992256
+1651 4 0.193541 0.97569 0.097345
+1652 5 0.193446 0.975873 0.0764358
+1653 5 0.167429 0.942132 0.104625
+1663 4 0.35033 0.698972 0.056618
+1664 5 0.320537 0.688083 0.0711319
+1665 5 0.357725 0.652305 0.0505688
+1673 4 0.614224 0.476919 0.0385554
+1674 5 0.621114 0.455573 0.0574793
+1675 5 0.26177 0.740538 0.195741
+1676 5 0.628475 0.524943 0.0403456
+1677 5 0.318869 0.760515 0.183562
+1678 4 0.411658 0.732594 0.0972942
+1679 5 0.446999 0.752524 0.0932073
+1680 5 0.395163 0.718385 0.0793873
+1684 4 0.978125 0.769097 0.15147
+1685 5 0.984594 0.792003 0.133245
+1686 5 0.0123145 0.773046 0.162716
+1720 4 0.866434 0.546166 0.175685
+1721 5 0.843478 0.512561 0.185053
+1722 5 0.901055 0.544941 0.185369
+1729 4 0.632049 0.258824 0.0779125
+1730 5 0.65748 0.23329 0.0651956
+1731 5 0.62282 0.299153 0.0665947
+1735 4 0.942803 0.244644 0.0264437
+1736 5 0.969942 0.266872 0.0364728
+1737 5 0.938032 0.201279 0.0368051
+1741 4 0.365468 0.569185 0.0331125
+1742 5 0.373232 0.573359 0.0127729
+1743 5 0.333525 0.542542 0.0335592
+1744 4 0.71242 0.0791124 0.138311
+1745 5 0.735104 0.0375856 0.138489
+1746 5 0.686221 0.0757391 0.152923
+1765 4 0.151296 0.837256 0.119895
+1766 5 0.182218 0.83398 0.10754
+1767 5 0.128257 0.798324 0.11962
+1768 4 0.687503 0.303966 0.136321
+1769 5 0.70846 0.332553 0.122483
+1770 5 0.664365 0.271365 0.126388
+1771 4 0.647592 0.123233 0.0995466
+1772 5 0.675037 0.10242 0.112249
+1773 5 0.66557 0.151865 0.0864098
+1810 4 0.279914 0.931875 0.133434
+1811 5 0.25491 0.960279 0.12279
+1812 5 0.297511 0.962579 0.147807
+1816 4 0.855929 0.0728789 0.198556
+1817 5 0.843642 0.099293 0.181823
+1822 4 0.540623 0.111217 0.149634
+1823 5 0.505568 0.135926 0.150633
+1824 5 0.536611 0.0771414 0.134175
+1831 4 0.0754038 0.721067 0.11396
+1832 5 0.074291 0.75685 0.100864
+1833 5 0.0592059 0.681735 0.10372
+1837 4 0.944497 0.14021 0.0638715
+1838 5 0.930379 0.0971444 0.0576723
+1839 5 0.929244 0.144573 0.083567
+1850 4 0.063331 0.79084 0.062115
+1851 5 0.0294117 0.785833 0.0527217
+1853 5 0.0747742 0.837602 0.0578057
+1855 4 0.379571 0.379558 0.0852481
+1856 5 0.396867 0.417392 0.0955188
+1857 5 0.391708 0.380246 0.0647726
+1867 4 0.390346 0.298716 0.172407
+1868 5 0.385867 0.347836 0.172213
+1869 5 0.396984 0.283301 0.192564
+1895 5 0.118216 0.310289 0.191571
+1897 4 0.818058 0.865023 0.117244
+1898 5 0.824151 0.816979 0.122293
+1899 5 0.783178 0.878471 0.124977
+1907 5 0.63735 0.695443 0.1959
+1909 4 0.471327 0.600875 0.0440008
+1910 5 0.47475 0.647273 0.0495095
+1911 5 0.43441 0.589081 0.0440177
+1912 4 0.107746 0.465417 0.162873
+1913 5 0.083892 0.503089 0.166554
+1914 5 0.113072 0.438246 0.181214
+1915 4 0.0873924 0.937943 0.11141
+1916 5 0.0872911 0.978807 0.124487
+1917 5 0.104998 0.898312 0.120981
+1918 4 0.279893 0.115328 0.0373772
+1919 5 0.281734 0.0665778 0.0442393
+1920 5 0.28176 0.116262 0.0156429
+1924 4 0.858643 0.382549 0.148445
+1925 5 0.886681 0.409598 0.139083
+1926 5 0.853118 0.350971 0.132586
+1933 4 0.548354 0.595868 0.130507
+1934 5 0.509638 0.609467 0.1329
+1935 5 0.548406 0.551659 0.140052
+1937 5 0.907809 0.939786 0.187925
+1945 4 0.600345 0.464203 0.147271
+1946 5 0.612127 0.458464 0.167537
+1947 5 0.579255 0.420883 0.145147
+1954 4 0.417454 0.48499 0.121478
+1955 5 0.435852 0.522025 0.112917
+1956 5 0.436445 0.469822 0.138655
+1969 4 0.678159 0.191123 0.0362157
+1970 5 0.679388 0.200125 0.0148518
+1971 5 0.691438 0.143226 0.0390435
+1972 4 0.763671 0.805369 0.190316
+1973 5 0.756201 0.75945 0.185617
+1974 5 0.802674 0.808014 0.191678
+1990 4 0.166663 0.201459 0.0877847
+1991 5 0.164108 0.192629 0.0667187
+1992 5 0.198313 0.171946 0.0909128
+1999 4 0.454937 0.178195 0.158812
+2000 5 0.439203 0.152115 0.174778
+2001 5 0.451186 0.223822 0.164081
+2002 4 0.428189 0.938753 0.0920243
+2003 5 0.399161 0.916533 0.101841
+2004 5 0.409316 0.949621 0.0745981
+2026 4 0.425061 0.21727 0.0553335
+2027 5 0.445073 0.234887 0.0724408
+2028 5 0.426402 0.259399 0.043875
+2029 4 0.318276 0.516895 0.128465
+2030 5 0.302 0.534217 0.110063
+2031 5 0.355682 0.505358 0.12358
+2032 4 0.671537 0.664549 0.167903
+2033 5 0.656171 0.67947 0.149422
+2034 5 0.660196 0.614255 0.167389
+2038 4 0.809696 0.733939 0.129109
+2039 5 0.789091 0.698616 0.120471
+2040 5 0.82548 0.703232 0.143279
+2041 4 0.0053223 0.0162032 0.185708
+2043 5 0.974829 0.984624 0.189189
+2044 4 0.905929 0.902867 0.158478
+2045 5 0.875611 0.905584 0.14522
+2046 5 0.93831 0.884739 0.148038
+2050 4 0.525036 0.245611 0.0331779
+2051 5 0.552052 0.283028 0.0321704
+2052 5 0.495784 0.2543 0.0187256
+2062 4 0.6286 0.422437 0.0871229
+2063 5 0.661039 0.39475 0.0868496
+2064 5 0.624422 0.431941 0.107351
+2065 4 0.667864 0.560766 0.12236
+2066 5 0.641363 0.592498 0.115975
+2067 5 0.648063 0.521775 0.128538
+2068 4 0.583235 0.681812 0.0674946
+2069 5 0.606617 0.651484 0.0562231
+2070 5 0.600242 0.688996 0.0861703
+2080 4 0.748616 0.896835 0.0346696
+2081 5 0.76757 0.928874 0.0469567
+2082 5 0.722491 0.88026 0.0478991
+2083 4 0.533442 0.135012 0.0622055
+2086 5 0.520459 0.140783 0.0814554
+2088 5 0.528484 0.176921 0.0518619
+2092 4 0.376076 0.429279 0.190836
+2093 5 0.409915 0.439156 0.180545
+2104 4 0.0189453 0.461286 0.124017
+2105 5 0.0566946 0.455427 0.129142
+2106 5 0.000606516 0.419457 0.13118
+2110 4 0.501257 0.0395982 0.104434
+2111 5 0.476175 0.999177 0.105555
+2112 5 0.517449 0.0407208 0.085656
+2115 5 0.00993129 0.52305 0.193665
+2116 4 0.199214 0.751343 0.182398
+2117 5 0.186847 0.721968 0.166769
+2118 5 0.185151 0.796135 0.178872
+2134 4 0.734507 0.650334 0.0575206
+2135 5 0.741837 0.702366 0.0619895
+2136 5 0.734181 0.634812 0.0786286
+2140 4 0.160915 0.980496 0.173552
+2141 5 0.150155 0.937142 0.182727
+2142 5 0.188411 0.000715833 0.186585
+2143 4 0.966604 0.633308 0.155368
+2144 5 0.958684 0.624103 0.135234
+2145 5 0.960168 0.681852 0.15792
+2149 4 0.556594 0.343691 0.154723
+2150 5 0.556703 0.327462 0.174406
+2151 5 0.564026 0.300101 0.14429
+2162 5 0.856543 0.38536 0.181302
+2170 4 0.291339 0.268899 0.162805
+2171 5 0.329355 0.259209 0.166226
+2172 5 0.292277 0.288667 0.142958
+2177 5 0.247401 0.309846 0.189894
+2178 5 0.242178 0.389373 0.195345
+2182 4 0.440477 0.987417 0.0379928
+2183 5 0.446287 0.977698 0.0174803
+2184 5 0.419847 0.0292825 0.0388187
+2188 4 0.592497 0.337748 0.0301211
+2189 5 0.602927 0.344915 0.0105028
+2190 5 0.589016 0.384506 0.0385587
+2197 4 0.7562 0.765516 0.0720106
+2198 5 0.730011 0.801684 0.0765044
+2199 5 0.777905 0.764081 0.0898132
+2215 4 0.669188 0.279919 0.18768
+2216 5 0.674042 0.289208 0.166156
+2217 5 0.632188 0.268078 0.190457
+2224 4 0.984844 0.760252 0.0313582
+2225 5 0.962938 0.722006 0.0387474
+2226 5 0.997132 0.740519 0.013182
+2230 4 0.121118 0.661004 0.155199
+2231 5 0.104961 0.682903 0.137625
+2232 5 0.14541 0.631168 0.14545
+2239 4 0.761378 0.204487 0.181706
+2240 5 0.788787 0.228954 0.192421
+2241 5 0.727471 0.227468 0.18288
+2275 4 0.42227 0.343414 0.0323778
+2276 5 0.407819 0.335561 0.0131237
+2277 5 0.44265 0.387323 0.0333519
+2287 4 0.864699 0.287388 0.109006
+2288 5 0.885384 0.247101 0.109777
+2289 5 0.844174 0.280615 0.0913223
+2314 4 0.79642 0.459374 0.0770458
+2315 5 0.819363 0.458954 0.0938255
+2316 5 0.81862 0.449851 0.0604172
+2341 4 0.72149 0.369873 0.0884997
+2342 5 0.728961 0.337657 0.0725455
+2343 5 0.7489 0.408122 0.0850307
+2344 4 0.292705 0.437973 0.0304812
+2345 5 0.318663 0.406553 0.0347167
+2346 5 0.261322 0.423513 0.0412162
+2371 4 0.35268 0.866025 0.109889
+2372 5 0.324349 0.887395 0.120698
+2373 5 0.331825 0.851615 0.0936829
+2377 4 0.900884 0.144635 0.117296
+2378 5 0.923235 0.13028 0.13256
+2379 5 0.867409 0.126414 0.124832
+2380 4 0.0449781 0.597376 0.0922534
+2381 5 0.0370962 0.559898 0.104505
+2382 5 0.0774363 0.583157 0.0820832
+2389 4 0.494904 0.850598 0.102574
+2390 5 0.52794 0.873998 0.107943
+2391 5 0.466586 0.88758 0.0973664
+2395 4 0.622274 0.087802 0.180112
+2396 5 0.588842 0.106349 0.169233
+2397 5 0.624179 0.0409951 0.171683
+2401 4 0.389918 0.0976201 0.0340581
+2402 5 0.353715 0.10831 0.0387462
+2403 5 0.407468 0.137109 0.041939
+2410 4 0.811645 0.123985 0.14895
+2411 5 0.774018 0.115071 0.144113
+2412 5 0.805951 0.163531 0.16137
+2416 4 0.079401 0.540419 0.0349647
+2417 5 0.10794 0.569966 0.0444858
+2418 5 0.0820141 0.547628 0.01451
+2455 4 0.832832 0.578848 0.126589
+2456 5 0.851306 0.56077 0.143411
+2457 5 0.863521 0.58396 0.114099
+2467 4 0.636502 0.988319 0.0730611
+2468 5 0.647926 0.0301421 0.080981
+2469 5 0.612384 0.99902 0.0574761
+2476 4 0.495575 0.75717 0.0631409
+2477 5 0.524702 0.725953 0.0621864
+2478 5 0.510719 0.792232 0.0767096
+2488 4 0.515196 0.430725 0.0854643
+2489 5 0.552907 0.426342 0.0885441
+2490 5 0.500757 0.411866 0.102939
+2500 4 0.0734427 0.145092 0.1148
+2501 5 0.0850797 0.105477 0.125685
+2502 5 0.105147 0.146842 0.102017
+2506 4 0.63134 0.768399 0.0261877
+2507 5 0.61614 0.734609 0.0391452
+2508 5 0.653436 0.802801 0.035618
+2530 4 0.203177 0.316702 0.108178
+2531 5 0.18943 0.270936 0.104658
+2532 5 0.243065 0.316821 0.110989
+2545 4 0.273564 0.275255 0.0289902
+2546 5 0.246922 0.303134 0.0382238
+2547 5 0.293857 0.245291 0.0418908
+2548 4 0.746153 0.637135 0.113022
+2549 5 0.715999 0.607697 0.120133
+2550 5 0.777607 0.608067 0.115185
+2557 4 0.340528 0.769872 0.151301
+2558 5 0.372047 0.761171 0.139785
+2559 5 0.332781 0.810246 0.141591
+2560 4 0.840388 0.809315 0.0413094
+2561 5 0.838925 0.813971 0.0204321
+2562 5 0.802997 0.794642 0.0469039
+2563 4 0.281649 0.663458 0.140318
+2564 5 0.285912 0.621958 0.15278
+2565 5 0.301552 0.698359 0.149815
+2575 4 0.710763 0.0659428 0.0320444
+2576 5 0.744005 0.0444466 0.0375602
+2577 5 0.714556 0.0679347 0.0106736
+2587 4 0.261058 0.672641 0.0851831
+2588 5 0.262928 0.67782 0.106384
+2589 5 0.255521 0.62635 0.0803158
+2593 4 0.0288213 0.226095 0.152265
+2594 5 0.0492287 0.204721 0.137086
+2595 5 0.00456572 0.192033 0.160319
+2611 4 0.957646 0.134203 0.165792
+2612 5 0.976284 0.0900808 0.166361
+2613 5 0.946326 0.145179 0.185524
+2614 4 0.813479 0.0234608 0.0426603
+2615 5 0.852421 0.024614 0.0477112
+2616 5 0.817108 0.00811964 0.0241558
+2629 4 0.18006 0.452261 0.116246
+2630 5 0.191595 0.405637 0.11162
+2631 5 0.152443 0.446655 0.130964
+2644 4 0.0294222 0.203621 0.0678186
+2645 5 0.0433415 0.181736 0.0854607
+2646 5 0.992858 0.183197 0.0659292
+2665 4 0.275861 0.463437 0.181233
+2666 5 0.31485 0.451776 0.18518
+2667 5 0.274984 0.47417 0.161454
+2668 4 0.155194 0.598122 0.0658051
+2669 5 0.184405 0.589377 0.0511413
+2670 5 0.170269 0.602965 0.0841225
+2671 4 0.477795 0.2708 0.10067
+2672 5 0.496221 0.261034 0.118483
+2673 5 0.507117 0.288686 0.0885654
+2683 4 0.11951 0.41323 0.0397455
+2684 5 0.0977921 0.373509 0.0434608
+2685 5 0.101215 0.456707 0.0419832
+2692 4 0.835588 0.272399 0.0502444
+2693 5 0.801141 0.291438 0.0445939
+2694 5 0.864601 0.297092 0.0399431
+2695 4 0.97488 0.332815 0.131641
+2696 5 0.94486 0.305207 0.126225
+2697 5 0.996301 0.302926 0.144682
+2707 4 0.087672 0.915456 0.0526541
+2708 5 0.0803864 0.921193 0.0734013
+2709 5 0.122226 0.935334 0.0485603
+2713 4 0.581738 0.0304375 0.0309771
+2714 5 0.609544 0.0598876 0.0233914
+2715 5 0.549908 0.0600143 0.0322237
+2719 4 0.319032 0.208064 0.0695811
+2720 5 0.304086 0.167804 0.0606304
+2721 5 0.358655 0.201719 0.0694956
+2731 4 0.450483 0.841526 0.0275448
+2732 5 0.462818 0.803714 0.040372
+2733 5 0.463395 0.885513 0.0360942
+2740 4 0.161392 0.167802 0.0334374
+2741 5 0.193663 0.152429 0.0241894
+2742 5 0.151252 0.195537 0.0172854
+2749 4 0.125288 0.872688 0.198025
+2750 5 0.104805 0.83443 0.190953
+2753 4 0.215271 0.377032 0.0566443
+2754 5 0.182188 0.395286 0.047633
+2756 5 0.206393 0.351944 0.074323
+2767 4 0.683743 0.855948 0.0716433
+2768 5 0.681202 0.84408 0.0921567
+2769 5 0.659575 0.895501 0.0724128
+2782 4 0.2448 0.594746 0.0323253
+2783 5 0.27194 0.629843 0.026083
+2784 5 0.230272 0.575773 0.0140378
+2785 4 0.28702 0.120943 0.184129
+2786 5 0.295045 0.085688 0.171114
+2787 5 0.254925 0.144856 0.1784
+2806 4 0.223001 0.853132 0.0288881
+2807 5 0.205551 0.898588 0.0303902
+2808 5 0.215996 0.841044 0.00822242
+2812 4 0.735686 0.305239 0.0334581
+2813 5 0.738759 0.319197 0.0130691
+2814 5 0.718094 0.260473 0.0327704
+2824 4 0.207051 0.173539 0.153827
+2825 5 0.227892 0.215003 0.157696
+2826 5 0.218888 0.152271 0.13596
+2833 4 0.449956 0.643307 0.1327
+2834 5 0.4465 0.668654 0.150777
+2835 5 0.428759 0.666178 0.11843
+2842 4 0.809799 0.153914 0.0292326
+2843 5 0.789165 0.120502 0.0407509
+2844 5 0.819515 0.196623 0.0396874
+2848 4 0.763851 0.00123098 0.193461
+2849 5 0.797843 0.0272921 0.195477
+2854 4 0.345996 0.875364 0.0322456
+2855 5 0.32622 0.850471 0.0171106
+2856 5 0.3826 0.860742 0.0298856
+2875 4 0.644678 0.610353 0.0339055
+2876 5 0.633872 0.590912 0.0150303
+2877 5 0.68313 0.62101 0.0305555
+2884 4 0.184933 0.588321 0.124699
+2885 5 0.17838 0.541081 0.11607
+2886 5 0.222177 0.584888 0.127346
+2890 4 0.978703 0.519 0.0308353
+2891 5 0.010727 0.539002 0.0369558
+2892 5 0.970547 0.475999 0.0407888
+1363 4 0.634544 0.717612 0.291917
+1364 5 0.617145 0.684068 0.279079
+1365 5 0.672375 0.705724 0.287734
+1389 5 0.568314 0.481015 0.398863
+1396 4 0.657262 0.0250293 0.31446
+1397 5 0.677007 0.985091 0.309101
+1398 5 0.628749 0.0254407 0.299508
+1399 4 0.694543 0.382389 0.306454
+1400 4 0.605567 0.199345 0.381665
+1401 5 0.687728 0.370068 0.28701
+1402 5 0.575283 0.169364 0.377864
+1403 5 0.587271 0.241131 0.387592
+1404 5 0.676717 0.343666 0.315774
+1420 4 0.0281956 0.672299 0.361152
+1421 5 0.0500085 0.682955 0.344283
+1422 5 0.995921 0.70235 0.363662
+1426 4 0.998905 0.186833 0.34828
+1427 5 0.997015 0.200166 0.32754
+1428 5 0.0115795 0.140996 0.348271
+1438 4 0.200236 0.663032 0.22898
+1439 5 0.214766 0.622878 0.219842
+1440 5 0.193316 0.701463 0.215697
+1444 4 0.346293 0.150982 0.228324
+1445 5 0.319703 0.147489 0.213116
+1446 5 0.353535 0.10237 0.233301
+1447 4 0.417777 0.55189 0.370985
+1448 5 0.440984 0.590529 0.365766
+1449 5 0.397116 0.563017 0.388687
+1459 4 0.632068 0.185968 0.260633
+1460 5 0.598561 0.161529 0.261421
+1461 5 0.653311 0.166781 0.244753
+1462 4 0.718887 0.958704 0.280687
+1463 5 0.720725 0.9317 0.26325
+1464 5 0.730447 0.00241958 0.273641
+1471 4 0.377467 0.443632 0.248156
+1472 5 0.349376 0.472575 0.256588
+1473 5 0.412972 0.452195 0.257127
+1474 4 0.188614 0.0348777 0.31485
+1475 5 0.223091 0.0473993 0.30907
+1476 5 0.173078 0.0792033 0.319499
+1513 4 0.153187 0.283208 0.388506
+1514 5 0.123127 0.306149 0.379453
+1515 5 0.139187 0.241732 0.394372
+1534 4 0.589137 0.630482 0.333754
+1535 5 0.602176 0.664353 0.31949
+1536 5 0.621453 0.605665 0.340841
+1546 4 0.32674 0.00516184 0.240633
+1547 5 0.309723 0.967306 0.233065
+1548 5 0.315358 0.997146 0.260198
+1555 4 0.511144 0.521461 0.209025
+1556 5 0.485152 0.556316 0.213258
+1557 5 0.537818 0.53049 0.222627
+1564 4 0.841623 0.783795 0.292557
+1565 5 0.820729 0.766903 0.309703
+1566 5 0.863264 0.819802 0.300941
+1567 4 0.400215 0.758317 0.212732
+1569 5 0.361678 0.767304 0.207301
+1585 4 0.927969 0.441926 0.34945
+1586 5 0.919951 0.486625 0.357807
+1587 5 0.925012 0.44798 0.328718
+1588 4 0.709005 0.229024 0.363945
+1589 5 0.732064 0.189391 0.367057
+1590 5 0.677651 0.219591 0.375447
+1609 4 0.217546 0.0422999 0.215814
+1610 5 0.243509 0.078747 0.214817
+1611 5 0.185745 0.0715817 0.22156
+1612 4 0.43476 0.0385066 0.26169
+1613 5 0.453563 0.995894 0.266478
+1614 5 0.39561 0.0285218 0.259838
+1618 4 0.139192 0.495349 0.298105
+1619 5 0.136807 0.54557 0.299923
+1620 5 0.158139 0.484429 0.316035
+1636 4 0.865149 0.756235 0.364757
+1637 5 0.857722 0.724978 0.380562
+1638 5 0.833814 0.750152 0.353296
+1645 4 0.559854 0.276557 0.208289
+1646 5 0.539556 0.311777 0.218973
+1647 5 0.560697 0.232756 0.219149
+1654 4 0.394048 0.150074 0.363297
+1655 5 0.408341 0.179073 0.377552
+1656 5 0.390047 0.102643 0.36942
+1657 4 0.51113 0.793968 0.352381
+1658 5 0.509135 0.838453 0.361018
+1659 5 0.542932 0.791694 0.340275
+1660 4 0.281848 0.804322 0.252469
+1661 5 0.284983 0.776205 0.234696
+1662 5 0.254431 0.83667 0.250107
+1666 4 0.187369 0.457783 0.345154
+1667 5 0.218183 0.486394 0.350538
+1668 5 0.179175 0.435978 0.363377
+1669 4 0.0349636 0.293421 0.373675
+1670 5 0.0340359 0.335245 0.360792
+1671 5 0.0233725 0.255152 0.360915
+1672 4 0.297913 0.751168 0.20157
+1693 4 0.445244 0.268853 0.332718
+1694 5 0.481332 0.27732 0.327295
+1695 5 0.4366 0.304173 0.347095
+1699 4 0.662684 0.0597546 0.366607
+1700 5 0.65614 0.0432641 0.347282
+1701 5 0.632528 0.0811898 0.373762
+1705 4 0.318425 0.418499 0.309846
+1707 5 0.298975 0.389039 0.296152
+1709 5 0.315848 0.461852 0.299686
+1717 4 0.835816 0.957716 0.299581
+1718 5 0.811529 0.967308 0.2831
+1719 5 0.870997 0.949967 0.292099
+1723 4 0.221824 0.263232 0.277069
+1724 5 0.23254 0.307958 0.270826
+1725 5 0.211731 0.268635 0.297784
+1726 4 0.0729546 0.506974 0.365502
+1727 5 0.0538191 0.544034 0.374384
+1728 5 0.100693 0.530343 0.353495
+1732 4 0.712457 0.774655 0.398957
+1733 5 0.683019 0.759167 0.387531
+1734 5 0.735032 0.803222 0.386446
+1738 4 0.922532 0.56601 0.230564
+1739 5 0.931708 0.560095 0.2512
+1740 5 0.908651 0.613189 0.232055
+1747 4 0.207662 0.104079 0.386973
+1748 5 0.173341 0.122471 0.392394
+1750 4 0.161724 0.778339 0.352371
+1751 5 0.159615 0.74846 0.368694
+1752 5 0.200765 0.790533 0.351321
+1753 4 0.00195997 0.188864 0.292724
+1754 5 0.0356646 0.207873 0.285516
+1755 5 0.979133 0.208733 0.279163
+1762 4 0.966777 0.771744 0.377364
+1763 5 0.968806 0.792118 0.396398
+1764 5 0.929953 0.757204 0.373772
+1774 4 0.520137 0.0570672 0.322007
+1775 5 0.490218 0.0238815 0.324361
+1776 5 0.547484 0.038541 0.308827
+1777 4 0.482814 0.665034 0.357928
+1778 5 0.509431 0.632416 0.35081
+1779 5 0.497492 0.71106 0.356728
+1786 4 0.752544 0.866047 0.364879
+1787 5 0.737621 0.855636 0.346639
+1788 5 0.77408 0.907563 0.363855
+1795 4 0.517453 0.45714 0.367707
+1796 5 0.491446 0.478137 0.35472
+1797 5 0.496021 0.429577 0.379823
+1798 4 0.543866 0.308224 0.31488
+1799 5 0.556759 0.356036 0.316058
+1800 5 0.577158 0.28105 0.311745
+1801 4 0.449469 0.156316 0.289012
+1802 5 0.481128 0.180244 0.29508
+1803 5 0.46126 0.11595 0.277047
+1804 4 0.580206 0.0228922 0.275886
+1805 5 0.579708 0.971318 0.275075
+1806 5 0.56532 0.0355665 0.257403
+1813 4 0.729827 0.654723 0.281734
+1814 5 0.751222 0.628455 0.294603
+1815 5 0.755951 0.678177 0.269507
+1818 5 0.86968 0.106107 0.212546
+1825 4 0.780044 0.731539 0.333837
+1826 5 0.759207 0.689368 0.338205
+1827 5 0.753027 0.763874 0.328785
+1846 4 0.327679 0.296224 0.337749
+1847 5 0.318906 0.344436 0.334518
+1848 5 0.31411 0.292876 0.35687
+1849 4 0.649584 0.26094 0.319517
+1852 5 0.668636 0.243452 0.336036
+1854 5 0.644284 0.220015 0.306031
+1861 4 0.778607 0.468075 0.205172
+1862 5 0.770658 0.423505 0.211501
+1863 5 0.748158 0.491881 0.212111
+1879 4 0.720801 0.598746 0.220179
+1880 5 0.7311 0.602294 0.240021
+1881 5 0.709175 0.64478 0.215649
+1882 4 0.376294 0.795258 0.265887
+1883 5 0.337732 0.800086 0.266741
+1884 5 0.38499 0.779156 0.245728
+1888 4 0.723145 0.831333 0.309179
+1889 5 0.748772 0.855832 0.2986
+1890 5 0.692139 0.856824 0.308718
+1894 4 0.125418 0.344772 0.205858
+1896 5 0.163963 0.345796 0.20707
+1900 4 0.85821 0.317213 0.285922
+1901 5 0.828625 0.348395 0.284798
+1902 5 0.84063 0.274394 0.293243
+1903 4 0.830272 0.352353 0.35032
+1904 5 0.819063 0.306961 0.344164
+1905 5 0.82195 0.383091 0.333541
+1906 4 0.616593 0.706008 0.213606
+1908 5 0.607127 0.754116 0.216479
+1930 4 0.787766 0.494614 0.362126
+1931 5 0.787071 0.50999 0.38134
+1932 5 0.819998 0.469622 0.360175
+1936 4 0.915532 0.959628 0.207868
+1938 5 0.888742 0.995375 0.204044
+1942 4 0.0333537 0.85411 0.353097
+1943 5 0.0632809 0.869107 0.365856
+1944 5 0.0117049 0.822887 0.363602
+1948 4 0.173917 0.641881 0.396898
+1949 5 0.213737 0.64794 0.39581
+1951 4 0.52971 0.109475 0.373919
+1952 5 0.527359 0.0923805 0.353769
+1953 5 0.500046 0.0889181 0.38336
+1966 4 0.574025 0.51407 0.28634
+1967 5 0.594416 0.484939 0.29971
+1968 5 0.575911 0.558983 0.295278
+1975 4 0.434375 0.973445 0.335914
+1976 5 0.433375 0.975679 0.357529
+1977 5 0.419662 0.930127 0.33088
+1978 4 0.954945 0.527877 0.299025
+1979 5 0.981758 0.550638 0.287482
+1980 5 0.957088 0.478145 0.294335
+1981 4 0.55753 0.32077 0.388933
+1982 5 0.536719 0.335125 0.372114
+1987 4 0.679809 0.47323 0.363783
+1988 5 0.681524 0.424907 0.368986
+1989 5 0.714409 0.47693 0.354655
+1996 4 0.0611671 0.414868 0.23917
+1997 5 0.0818363 0.386666 0.225226
+1998 5 0.0383163 0.447521 0.22919
+2011 4 0.535802 0.15185 0.236246
+2012 5 0.501807 0.172406 0.231065
+2013 5 0.539627 0.108695 0.225837
+2014 4 0.210317 0.913163 0.385031
+2016 5 0.23763 0.898079 0.372498
+2017 4 0.270898 0.151403 0.340781
+2018 5 0.25816 0.132058 0.359232
+2019 5 0.236568 0.162833 0.331676
+2035 4 0.756617 0.116586 0.374025
+2036 5 0.719781 0.0975569 0.370849
+2037 5 0.766078 0.0971693 0.392797
+2042 5 0.0309429 0.00203803 0.202009
+2053 4 0.486728 0.315074 0.265951
+2054 5 0.485533 0.364978 0.269672
+2055 5 0.522005 0.303659 0.273183
+2056 4 0.943844 0.395665 0.292926
+2057 5 0.912554 0.366621 0.296338
+2058 5 0.950956 0.384896 0.273286
+2059 4 0.662473 0.598202 0.370653
+2060 5 0.659818 0.546956 0.366343
+2061 5 0.670074 0.597882 0.391606
+2071 4 0.446668 0.0710453 0.203093
+2072 5 0.439278 0.0842453 0.22206
+2073 5 0.477399 0.0403247 0.205102
+2077 4 0.947071 0.0668357 0.289097
+2078 5 0.97236 0.105639 0.287806
+2079 5 0.966299 0.039549 0.303541
+2084 4 0.0678204 0.205188 0.231053
+2085 5 0.0859487 0.197214 0.211998
+2087 5 0.0421709 0.240185 0.224886
+2094 5 0.382896 0.435872 0.211785
+2095 4 0.482002 0.942538 0.2163
+2096 5 0.509855 0.911196 0.212791
+2097 5 0.463019 0.927968 0.233996
+2098 4 0.0992643 0.229577 0.281835
+2099 5 0.0977837 0.277828 0.288888
+2100 5 0.098475 0.236756 0.260837
+2107 4 0.63956 0.344508 0.256919
+2108 5 0.669716 0.35988 0.244191
+2109 5 0.643169 0.295625 0.258172
+2113 4 0.0012417 0.484924 0.207205
+2114 5 0.978798 0.512491 0.218354
+2119 4 0.787701 0.0455751 0.255246
+2120 5 0.774025 0.0770201 0.241142
+2121 5 0.812561 0.0702449 0.26734
+2125 4 0.570348 0.891403 0.289789
+2126 5 0.589773 0.868882 0.305358
+2127 5 0.559605 0.857179 0.275804
+2128 4 0.363643 0.0619962 0.312534
+2129 5 0.341044 0.0247755 0.306579
+2130 5 0.393227 0.0391154 0.321448
+2131 4 0.00922131 0.702502 0.224002
+2132 5 0.0292318 0.675139 0.238242
+2133 5 0.972995 0.704331 0.232078
+2137 4 0.251887 0.381796 0.25644
+2138 5 0.253235 0.363655 0.236955
+2139 5 0.228354 0.421106 0.25195
+2153 5 0.289167 0.511032 0.389426
+2155 4 0.907991 0.706433 0.238405
+2156 5 0.884425 0.717063 0.25467
+2157 5 0.898667 0.739071 0.22433
+2160 5 0.0121729 0.630382 0.390759
+2161 4 0.859726 0.391083 0.201863
+2163 5 0.840677 0.433457 0.203716
+2164 4 0.901014 0.36031 0.390682
+2165 5 0.870553 0.349603 0.377821
+2166 5 0.914856 0.396595 0.377324
+2176 4 0.230537 0.342879 0.202917
+2179 4 0.103249 0.598481 0.231667
+2180 5 0.132105 0.631833 0.229144
+2181 5 0.0812557 0.603707 0.214935
+2185 4 0.176712 0.463692 0.248273
+2186 5 0.164951 0.469153 0.269231
+2187 5 0.144266 0.45593 0.237884
+2191 4 0.558226 0.652724 0.257221
+2192 5 0.528142 0.633616 0.245705
+2193 5 0.583497 0.660952 0.241812
+2200 4 0.0461763 0.0820876 0.2457
+2201 5 0.0588819 0.129972 0.239936
+2202 5 0.0685643 0.0722678 0.262462
+2206 4 0.797237 0.717481 0.248351
+2207 5 0.78537 0.746839 0.233278
+2208 5 0.815052 0.747157 0.262641
+2209 4 0.452864 0.902056 0.269095
+2210 5 0.477584 0.887024 0.283373
+2211 5 0.432241 0.861055 0.263238
+2221 4 0.71742 0.360981 0.225412
+2222 5 0.699146 0.349227 0.207324
+2223 5 0.731329 0.316061 0.23084
+2233 4 0.305782 0.522992 0.281776
+2234 5 0.275999 0.538774 0.269828
+2235 5 0.31013 0.558904 0.295852
+2242 4 0.0802557 0.702125 0.31348
+2243 5 0.0949477 0.748065 0.311913
+2244 5 0.0422118 0.712425 0.310213
+2260 4 0.626555 0.723953 0.372769
+2261 5 0.637646 0.680318 0.365898
+2262 5 0.602677 0.716173 0.388455
+2269 4 0.0389324 0.555453 0.270364
+2270 5 0.0527424 0.513546 0.280162
+2271 5 0.0672588 0.574195 0.258101
+2284 4 0.428616 0.371827 0.374014
+2285 5 0.393008 0.389153 0.378442
+2286 5 0.446515 0.376464 0.392211
+2293 4 0.163349 0.170758 0.324429
+2294 5 0.166832 0.209959 0.337381
+2295 5 0.144581 0.188514 0.308565
+2320 4 0.932615 0.134683 0.22428
+2321 5 0.927301 0.17495 0.238142
+2322 5 0.959351 0.106211 0.232379
+2326 4 0.920395 0.225244 0.389594
+2327 5 0.92501 0.276074 0.393599
+2328 5 0.950773 0.218857 0.377301
+2332 4 0.107167 0.35876 0.298302
+2333 5 0.0816555 0.37631 0.313632
+2334 5 0.117545 0.398648 0.286943
+2335 4 0.912856 0.571917 0.378166
+2336 5 0.940455 0.56958 0.393062
+2337 5 0.885453 0.602258 0.388292
+2347 4 0.332159 0.38472 0.389438
+2348 5 0.313376 0.419315 0.399484
+2349 5 0.303661 0.352735 0.391433
+2350 4 0.895943 0.611956 0.325795
+2351 5 0.910096 0.574433 0.314835
+2352 5 0.902669 0.602327 0.344964
+2356 4 0.60022 0.439057 0.334526
+2357 5 0.5702 0.452836 0.346152
+2358 5 0.63067 0.432307 0.34761
+2365 4 0.709023 0.879258 0.235815
+2366 5 0.670831 0.877085 0.233607
+2367 5 0.721215 0.853662 0.219419
+2368 4 0.560369 0.0329357 0.222148
+2369 5 0.592665 0.0365608 0.209828
+2370 5 0.548938 0.984328 0.222782
+2374 4 0.946399 0.365669 0.234772
+2375 5 0.912952 0.383494 0.227652
+2376 5 0.972872 0.388137 0.222894
+2383 4 0.856801 0.118472 0.298448
+2384 5 0.854003 0.12918 0.319311
+2385 5 0.889181 0.0882611 0.297134
+2398 4 0.355332 0.774662 0.362159
+2399 5 0.365756 0.741335 0.347516
+2400 5 0.37149 0.760052 0.380244
+2404 4 0.761011 0.244391 0.246207
+2405 5 0.765282 0.238648 0.266858
+2406 5 0.796254 0.247357 0.238462
+2413 4 0.53703 0.790893 0.254327
+2414 5 0.553173 0.746473 0.258493
+2415 5 0.555376 0.810934 0.236619
+2419 4 0.524183 0.925281 0.378983
+2420 5 0.517595 0.941648 0.360256
+2421 5 0.499456 0.951833 0.392347
+2422 4 0.261522 0.812623 0.344237
+2423 5 0.295715 0.792445 0.348839
+2424 5 0.273099 0.845643 0.330694
+2428 4 0.296292 0.169752 0.277319
+2429 5 0.266815 0.19965 0.274704
+2430 5 0.313433 0.172658 0.25859
+2431 4 0.602068 0.797935 0.329697
+2432 5 0.608352 0.77829 0.348881
+2433 5 0.617429 0.764583 0.315822
+2437 4 0.724139 0.35837 0.382877
+2438 5 0.763159 0.34944 0.38599
+2439 5 0.718517 0.317499 0.371906
+2443 4 0.28931 0.498721 0.354105
+2444 5 0.304863 0.466189 0.340492
+2445 5 0.296879 0.542776 0.343553
+2451 5 0.133 0.700829 0.397828
+2452 4 0.211174 0.908294 0.231749
+2453 5 0.213245 0.956836 0.22682
+2454 5 0.184556 0.887517 0.217684
+2464 4 0.0342031 0.403734 0.331786
+2465 5 0.0435893 0.447209 0.340803
+2466 5 0.997422 0.400836 0.32557
+2479 4 0.462796 0.632871 0.232577
+2480 5 0.453409 0.66782 0.219613
+2481 5 0.430843 0.618896 0.244998
+2509 4 0.815623 0.975941 0.352625
+2510 5 0.827082 0.959683 0.333324
+2511 5 0.805548 0.0231148 0.348644
+2515 4 0.931469 0.961514 0.263236
+2516 5 0.922789 0.96132 0.242613
+2517 5 0.935604 0.0108173 0.268037
+2524 4 0.457236 0.77334 0.304749
+2525 5 0.479911 0.764067 0.288903
+2526 5 0.479595 0.767836 0.321391
+2533 4 0.616384 0.461541 0.218637
+2534 5 0.599239 0.425825 0.229701
+2535 5 0.654547 0.454518 0.221134
+2536 4 0.696382 0.13182 0.222038
+2537 5 0.720243 0.170957 0.220256
+2538 5 0.674238 0.124837 0.205795
+2542 4 0.0394661 0.0531853 0.334623
+2543 5 0.0545602 0.043651 0.315641
+2544 5 0.0648409 0.0332586 0.348064
+2566 4 0.0891062 0.0121602 0.290712
+2567 5 0.0847581 0.961656 0.288786
+2568 5 0.117666 0.0225738 0.302997
+2581 4 0.922556 0.252748 0.251314
+2582 5 0.891917 0.2666 0.262885
+2583 5 0.937491 0.298055 0.246335
+2602 4 0.974606 0.724637 0.303474
+2603 5 0.948467 0.756284 0.297442
+2604 5 0.952975 0.687242 0.31182
+2620 4 0.301008 0.236671 0.390352
+2623 4 0.380604 0.619974 0.263168
+2624 5 0.381914 0.6601 0.275092
+2625 5 0.342868 0.610693 0.259281
+2626 4 0.101137 0.833499 0.31126
+2627 5 0.067354 0.842846 0.321731
+2628 5 0.12782 0.825904 0.326405
+2632 4 0.318238 0.947386 0.293037
+2633 5 0.284457 0.92121 0.29216
+2634 5 0.343343 0.910267 0.297924
+2641 4 0.243408 0.54839 0.222435
+2642 5 0.217566 0.518483 0.233272
+2643 5 0.262163 0.518232 0.209247
+2647 4 0.91919 0.844807 0.316491
+2648 5 0.92366 0.889226 0.324062
+2649 5 0.938968 0.81587 0.330226
+2650 4 0.118601 0.0190012 0.369582
+2651 5 0.149808 0.0479957 0.370786
+2652 5 0.131515 0.974259 0.372839
+2659 4 0.85956 0.141434 0.356897
+2660 5 0.876947 0.173771 0.370222
+2661 5 0.82219 0.150837 0.360099
+2662 4 0.96457 0.957289 0.343617
+2663 5 0.992206 0.989968 0.347399
+2664 5 0.98176 0.914692 0.336747
+2675 5 0.360862 0.856049 0.397011
+2677 4 0.0184514 0.0209782 0.395663
+2678 5 0.0552315 0.020421 0.389494
+2679 5 0.996483 0.0490398 0.383469
+2698 4 0.38848 0.687671 0.324782
+2699 5 0.412759 0.714691 0.312161
+2700 5 0.412812 0.660628 0.336378
+2701 4 0.798645 0.418717 0.308937
+2702 5 0.794964 0.467953 0.308099
+2703 5 0.761221 0.402881 0.309945
+2704 4 0.019718 0.904235 0.271343
+2705 5 0.0156485 0.857017 0.277384
+2706 5 0.980319 0.916941 0.271892
+2710 4 0.0596984 0.960354 0.226216
+2711 5 0.0628142 0.00755143 0.232524
+2712 5 0.0376531 0.937692 0.241744
+2716 4 0.30568 0.613924 0.323041
+2717 5 0.339005 0.636361 0.327162
+2718 5 0.287701 0.647332 0.309714
+2725 4 0.254341 0.685739 0.280328
+2726 5 0.260591 0.72971 0.271991
+2727 5 0.223769 0.671827 0.270543
+2734 4 0.191359 0.308639 0.323338
+2735 5 0.158368 0.329188 0.315622
+2736 5 0.212885 0.341527 0.33504
+2743 4 0.192353 0.18615 0.236436
+2744 5 0.201848 0.219215 0.251906
+2745 5 0.171062 0.207846 0.223419
+2746 4 0.413572 0.482343 0.323003
+2747 5 0.377787 0.464221 0.318824
+2748 5 0.413021 0.509775 0.339624
+2751 5 0.100345 0.899424 0.209656
+2770 4 0.844631 0.261382 0.207872
+2771 5 0.845634 0.308659 0.203571
+2772 5 0.88027 0.255874 0.216604
+2776 4 0.787892 0.587712 0.324674
+2777 5 0.787408 0.553809 0.339926
+2778 5 0.823445 0.607055 0.324513
+2779 4 0.384823 0.862835 0.320165
+2780 5 0.40889 0.836336 0.308568
+2781 5 0.374117 0.823983 0.331748
+2788 4 0.713831 0.147068 0.298628
+2789 5 0.695879 0.107114 0.306012
+2790 5 0.695451 0.165309 0.282186
+2803 4 0.794446 0.220042 0.301524
+2804 5 0.815211 0.178515 0.298549
+2805 5 0.76022 0.194683 0.302108
+2821 4 0.112622 0.882308 0.386288
+2822 5 0.110866 0.831968 0.388729
+2823 5 0.151418 0.889462 0.381934
+2827 4 0.131361 0.422921 0.396887
+2828 5 0.0986236 0.440151 0.389955
+2845 4 0.212695 0.909613 0.290224
+2846 5 0.19649 0.907673 0.270751
+2847 5 0.196434 0.942024 0.302397
+2850 5 0.754342 0.983452 0.211517
+2851 4 0.893604 0.981985 0.387261
+2852 5 0.859444 0.989405 0.377173
+2853 5 0.911928 0.967921 0.370391
+2857 4 0.135584 0.60436 0.332394
+2858 5 0.107735 0.637105 0.325416
+2859 5 0.158785 0.634333 0.343888
+2864 5 0.434425 0.702445 0.38905
+2866 4 0.380948 0.285405 0.276986
+2867 5 0.376134 0.324455 0.26469
+2868 5 0.41943 0.284501 0.280523
+2869 4 0.474197 0.441312 0.285639
+2870 5 0.504995 0.468506 0.280831
+2871 5 0.454244 0.459517 0.301852
+2878 4 0.446414 0.242704 0.221926
+2879 5 0.452853 0.276786 0.236909
+2880 5 0.415551 0.216381 0.228639
+2896 6 0.421145 0.00854599 0.398485
+2897 6 0.586865 0.866436 0.207261
+2898 7 0.365399 0.190125 0.314449
+1351 4 0.261193 0.845214 0.433812
+1352 5 0.247782 0.867331 0.450182
+1353 5 0.295287 0.867634 0.428099
+1354 4 0.729629 0.394498 0.444908
+1355 5 0.726923 0.366742 0.462235
+1356 5 0.750428 0.367713 0.431323
+1357 4 0.129193 0.949758 0.584335
+1358 5 0.161286 0.980028 0.581108
+1366 4 0.998736 0.635639 0.523622
+1367 5 0.961644 0.621103 0.527133
+1368 5 0.0178003 0.591454 0.526479
+1372 4 0.808165 0.533675 0.525186
+1373 5 0.794413 0.550771 0.507913
+1374 5 0.786398 0.495595 0.531967
+1375 4 0.526317 0.314341 0.544368
+1376 5 0.55663 0.327519 0.532269
+1377 5 0.509287 0.276375 0.534393
+1378 4 0.479043 0.790701 0.533277
+1379 5 0.505138 0.810122 0.546702
+1380 5 0.449536 0.822857 0.535212
+1387 4 0.584018 0.486865 0.418732
+1388 5 0.600888 0.444466 0.424133
+1390 4 0.871758 0.233079 0.581378
+1392 5 0.876329 0.283345 0.580358
+1393 4 0.131781 0.18223 0.507058
+1394 5 0.153306 0.159611 0.521779
+1395 5 0.146754 0.228562 0.504605
+1405 4 0.795889 0.704088 0.590714
+1406 5 0.833233 0.696328 0.589732
+1407 5 0.780271 0.715143 0.572587
+1414 4 0.55697 0.119475 0.508488
+1415 5 0.553102 0.0704154 0.512552
+1416 5 0.560645 0.124941 0.488194
+1423 4 0.351635 0.602112 0.581323
+1424 5 0.372948 0.640809 0.57831
+1432 4 0.778639 0.502063 0.418992
+1433 5 0.753175 0.464971 0.422993
+1434 5 0.815516 0.488912 0.425609
+1435 4 0.821145 0.576313 0.465344
+1436 5 0.857969 0.579734 0.459564
+1437 5 0.807047 0.569031 0.446769
+1441 4 0.506411 0.0940536 0.581738
+1442 5 0.540715 0.0705513 0.577439
+1443 5 0.518067 0.142683 0.580752
+1456 4 0.63167 0.367321 0.430526
+1457 5 0.632255 0.342775 0.412646
+1458 5 0.668217 0.384773 0.431247
+1483 4 0.00331531 0.880047 0.584618
+1484 5 0.0325733 0.902039 0.573491
+1486 4 0.448314 0.506203 0.443135
+1487 5 0.46888 0.543419 0.450568
+1488 5 0.427933 0.492203 0.460154
+1489 4 0.737854 0.440823 0.546522
+1490 5 0.738745 0.397915 0.555892
+1491 5 0.724513 0.472285 0.560078
+1495 4 0.920417 0.256431 0.450856
+1496 5 0.936828 0.239271 0.46836
+1497 5 0.946748 0.286702 0.442571
+1501 4 0.819175 0.912481 0.549
+1502 5 0.799096 0.898991 0.532246
+1503 5 0.802887 0.87878 0.563087
+1504 4 0.919172 0.0958004 0.58191
+1505 5 0.935863 0.0739109 0.565897
+1506 5 0.907041 0.141355 0.576668
+1507 4 0.235417 0.649555 0.459657
+1508 5 0.198725 0.664963 0.458634
+1509 5 0.250939 0.66747 0.441951
+1510 4 0.477275 0.382215 0.422952
+1511 5 0.476291 0.426091 0.431926
+1512 5 0.475685 0.354081 0.440885
+1516 4 0.876111 0.353247 0.504603
+1517 5 0.841332 0.338533 0.512268
+1518 5 0.867504 0.369197 0.485895
+1525 4 0.482129 0.955758 0.587631
+1526 5 0.498819 0.916894 0.57798
+1527 5 0.48821 0.991501 0.572994
+1528 4 0.734054 0.325237 0.565904
+1529 5 0.696239 0.325115 0.572052
+1530 5 0.748757 0.280947 0.571014
+1540 4 0.491763 0.77028 0.425462
+1541 5 0.522846 0.739854 0.422174
+1542 5 0.490406 0.765639 0.446251
+1543 4 0.950989 0.174858 0.500961
+1544 5 0.948363 0.128134 0.494732
+1545 5 0.91824 0.184283 0.511799
+1570 4 0.900723 0.476966 0.51097
+1571 5 0.889122 0.429992 0.511916
+1572 5 0.870981 0.503259 0.517844
+1579 4 0.424547 0.487788 0.583191
+1580 5 0.395663 0.453724 0.583575
+1581 5 0.402549 0.523731 0.575065
+1594 4 0.885859 0.89788 0.592909
+1595 5 0.8676 0.92517 0.578172
+1596 5 0.92526 0.908262 0.593265
+1606 4 0.61065 0.0605017 0.582122
+1608 5 0.629062 0.103968 0.580271
+1627 4 0.642543 0.836024 0.592789
+1629 5 0.678249 0.846721 0.598317
+1630 4 0.757367 0.85302 0.588204
+1631 5 0.768884 0.803868 0.590897
+1642 4 0.140598 0.342733 0.446709
+1643 5 0.145875 0.32618 0.426458
+1644 5 0.141797 0.393904 0.444136
+1681 4 0.222273 0.538764 0.487733
+1682 5 0.228145 0.583261 0.479577
+1683 5 0.205541 0.54319 0.506735
+1687 4 0.809883 0.924794 0.429989
+1688 5 0.838038 0.940585 0.41693
+1689 5 0.824211 0.933992 0.448927
+1690 4 0.15513 0.953065 0.473512
+1691 5 0.130991 0.933042 0.45945
+1692 5 0.179785 0.918256 0.480517
+1696 4 0.32539 0.364314 0.484827
+1697 5 0.355057 0.395749 0.485411
+1698 5 0.295685 0.394044 0.477753
+1702 4 0.280667 0.71296 0.418476
+1703 5 0.31919 0.708985 0.415425
+1704 5 0.270964 0.759473 0.424187
+1706 4 0.0581708 0.740219 0.532152
+1708 5 0.0406706 0.69578 0.527569
+1710 5 0.0529015 0.770178 0.516253
+1711 4 0.382307 0.108161 0.483139
+1712 5 0.361028 0.0987384 0.49991
+1713 5 0.414768 0.125904 0.490393
+1714 4 0.740023 0.188508 0.449665
+1715 5 0.774918 0.185287 0.459026
+1716 5 0.737419 0.149879 0.436841
+1749 5 0.212136 0.0670449 0.400776
+1756 4 0.303185 0.925648 0.582954
+1758 5 0.292366 0.878762 0.583183
+1759 4 0.0644412 0.920224 0.540962
+1760 5 0.0912072 0.917306 0.554934
+1761 5 0.0735598 0.960179 0.529102
+1780 4 0.434003 0.671964 0.590095
+1781 5 0.451213 0.632774 0.599109
+1783 4 0.394456 0.842897 0.466366
+1784 5 0.409023 0.888643 0.467329
+1785 5 0.382276 0.848866 0.446364
+1789 4 0.448738 0.958093 0.469798
+1790 5 0.42827 0.994836 0.462536
+1791 5 0.481182 0.955702 0.458054
+1792 4 0.0131743 0.251083 0.58822
+1793 5 0.0127638 0.213981 0.574036
+1794 5 0.992036 0.287533 0.579366
+1807 4 0.253344 0.436041 0.454316
+1808 5 0.267203 0.462171 0.436634
+1809 5 0.237147 0.473843 0.466378
+1819 4 0.441027 0.122835 0.536113
+1820 5 0.411202 0.10537 0.547686
+1821 5 0.473187 0.101356 0.542156
+1828 4 0.873542 0.453991 0.427347
+1829 5 0.909496 0.469366 0.434181
+1830 5 0.880747 0.408354 0.420341
+1834 4 0.782418 0.308065 0.519534
+1835 5 0.757268 0.292759 0.504766
+1836 5 0.758226 0.322755 0.535299
+1840 4 0.90013 0.358062 0.585341
+1841 5 0.882617 0.402759 0.583551
+1842 5 0.928439 0.361995 0.571166
+1843 4 0.289031 0.0805701 0.516087
+1844 5 0.268441 0.105427 0.529509
+1845 5 0.268632 0.0831988 0.498819
+1858 4 0.855263 0.656938 0.410255
+1859 5 0.879621 0.650997 0.425901
+1860 5 0.823525 0.677575 0.418354
+1864 4 0.130574 0.167291 0.419455
+1865 5 0.152275 0.164802 0.436617
+1866 5 0.0973418 0.192254 0.423585
+1870 4 0.653506 0.947552 0.559513
+1871 5 0.638752 0.984214 0.571025
+1872 5 0.655635 0.904155 0.569786
+1873 4 0.991428 0.343687 0.438727
+1874 5 0.0150281 0.358869 0.452341
+1875 5 0.988152 0.380415 0.424206
+1876 4 0.129677 0.470733 0.587724
+1877 5 0.169075 0.469005 0.589573
+1885 4 0.370574 0.589767 0.420023
+1886 5 0.396715 0.570467 0.432774
+1887 5 0.380789 0.637219 0.417116
+1891 4 0.541675 0.566081 0.506592
+1892 5 0.575432 0.593268 0.506789
+1893 5 0.512948 0.58744 0.495154
+1921 4 0.532919 0.546333 0.568623
+1922 5 0.503175 0.544532 0.5813
+1923 5 0.523509 0.546995 0.547749
+1927 4 0.641116 0.566075 0.460153
+1928 5 0.651653 0.540573 0.477932
+1929 5 0.61268 0.542207 0.450245
+1939 4 0.767554 0.734008 0.536115
+1940 5 0.762693 0.779192 0.52701
+1941 5 0.802324 0.719188 0.528684
+1950 5 0.164538 0.600677 0.409171
+1957 4 0.388973 0.821952 0.584893
+1958 5 0.399286 0.857302 0.572345
+1959 5 0.3674 0.792203 0.574179
+1960 4 0.574312 0.991118 0.523118
+1961 5 0.605231 0.0149748 0.52992
+1962 5 0.587849 0.965793 0.507419
+1963 4 0.496455 0.441472 0.503376
+1964 5 0.523179 0.48025 0.504679
+1965 5 0.514766 0.398521 0.506129
+1983 5 0.541143 0.334625 0.406775
+1984 4 0.641833 0.190819 0.524872
+1985 5 0.667488 0.161423 0.514135
+1986 5 0.6082 0.172119 0.518108
+1993 4 0.133854 0.710722 0.466238
+1994 5 0.155542 0.746838 0.458104
+1995 5 0.10122 0.705866 0.454113
+2005 4 0.0348752 0.240341 0.52361
+2006 5 0.0674001 0.218439 0.518297
+2007 5 0.0114168 0.211443 0.512476
+2008 4 0.88341 0.0856445 0.423973
+2009 5 0.889477 0.0533193 0.408421
+2010 5 0.906528 0.124164 0.419474
+2015 5 0.225578 0.937004 0.40128
+2020 4 0.2093 0.274477 0.585551
+2021 5 0.173344 0.29186 0.583357
+2023 4 0.978283 0.742072 0.578202
+2024 5 0.994331 0.785941 0.579937
+2025 5 0.987315 0.719769 0.560153
+2047 4 0.833213 0.185002 0.467119
+2048 5 0.846308 0.157948 0.483998
+2049 5 0.863539 0.203494 0.455573
+2074 4 0.0259784 0.395482 0.589616
+2076 5 0.0500759 0.361954 0.580384
+2089 4 0.0454557 0.389699 0.493629
+2090 5 0.0364473 0.347882 0.503002
+2091 5 0.0783972 0.402111 0.50419
+2101 4 0.038742 0.232226 0.422814
+2102 5 0.0415285 0.24897 0.40204
+2103 5 0.0151408 0.270718 0.429307
+2122 4 0.240202 0.339967 0.406197
+2123 5 0.23508 0.353428 0.425916
+2124 5 0.210359 0.313686 0.400343
+2146 4 0.348872 0.388038 0.583055
+2147 5 0.335011 0.35395 0.570162
+2152 4 0.2883 0.508855 0.411355
+2154 5 0.31329 0.544803 0.415765
+2158 4 0.000668145 0.59998 0.407466
+2159 5 0.0171626 0.618017 0.425106
+2167 4 0.929317 0.056441 0.488139
+2168 5 0.891905 0.0467024 0.490155
+2169 5 0.937143 0.0359663 0.469637
+2173 4 0.766161 0.195822 0.585288
+2174 5 0.802324 0.200379 0.580736
+2194 4 0.961964 0.0349823 0.536077
+2195 5 0.983421 0.994501 0.533221
+2196 5 0.949588 0.0446537 0.516333
+2203 4 0.380279 0.588014 0.504636
+2204 5 0.345312 0.611934 0.506521
+2205 5 0.401892 0.613077 0.518711
+2212 4 0.397656 0.249212 0.584126
+2213 5 0.383807 0.26392 0.565323
+2214 5 0.433774 0.261575 0.588968
+2218 4 0.0968073 0.711659 0.583543
+2219 5 0.0811454 0.665064 0.582285
+2220 5 0.0797536 0.734137 0.567983
+2227 4 0.655473 0.182643 0.582183
+2228 5 0.650312 0.191024 0.562584
+2229 5 0.692643 0.170287 0.582852
+2236 4 0.243017 0.273203 0.533008
+2237 5 0.235949 0.282627 0.553665
+2238 5 0.219527 0.305099 0.522371
+2245 4 0.771527 0.721575 0.436317
+2246 5 0.748881 0.680873 0.440543
+2247 5 0.748174 0.74438 0.422103
+2248 4 0.0104103 0.757616 0.461554
+2249 5 0.980427 0.778016 0.452686
+2250 5 0.0262898 0.793864 0.473475
+2251 4 0.958977 0.314482 0.540794
+2252 5 0.930648 0.323881 0.525888
+2253 5 0.988618 0.292812 0.531326
+2254 4 0.541755 0.872418 0.566758
+2255 5 0.565181 0.899337 0.555075
+2256 5 0.566299 0.847598 0.578628
+2257 4 0.666895 0.719072 0.560659
+2258 5 0.656834 0.756938 0.572166
+2259 5 0.702812 0.733237 0.554083
+2263 4 0.601821 0.929456 0.477177
+2264 5 0.631768 0.899593 0.475205
+2265 5 0.578148 0.911447 0.4628
+2266 4 0.443433 0.661343 0.533331
+2267 5 0.440639 0.659398 0.554398
+2268 5 0.45485 0.708605 0.528372
+2272 4 0.773189 0.0709734 0.42625
+2273 5 0.810208 0.0696139 0.431583
+2274 5 0.752593 0.0325038 0.43402
+2278 4 0.862113 0.201749 0.52793
+2279 5 0.844456 0.240697 0.518216
+2280 5 0.858797 0.207289 0.548987
+2281 4 0.683493 0.111677 0.48925
+2282 5 0.667405 0.0795562 0.475667
+2283 5 0.698022 0.141948 0.475088
+2290 4 0.222277 0.00179496 0.587169
+2292 5 0.25218 0.972207 0.581791
+2296 4 0.0182146 0.0106508 0.450982
+2297 5 0.0314596 0.0550368 0.456222
+2298 5 0.0193688 0.018917 0.430219
+2299 4 0.198853 0.725258 0.576513
+2300 5 0.204683 0.72181 0.597262
+2301 5 0.160274 0.724524 0.577762
+2302 4 0.109196 0.304385 0.580902
+2303 5 0.0839668 0.263983 0.583165
+2304 5 0.112441 0.324826 0.599854
+2305 4 0.297148 0.166467 0.584058
+2306 5 0.285378 0.202772 0.571176
+2308 4 0.49677 0.310419 0.471673
+2309 5 0.534212 0.294824 0.471334
+2310 5 0.48229 0.281341 0.487865
+2311 4 0.875393 0.747574 0.509943
+2312 5 0.894554 0.786583 0.519687
+2313 5 0.867 0.768899 0.491265
+2317 4 0.169388 0.529848 0.427924
+2318 5 0.142274 0.516266 0.441158
+2319 5 0.201328 0.528297 0.439784
+2323 4 0.0877087 0.903401 0.440315
+2324 5 0.0671178 0.944903 0.436
+2325 5 0.0949287 0.89378 0.419407
+2329 4 0.644936 0.341721 0.591594
+2331 5 0.634808 0.386288 0.583374
+2338 4 0.658549 0.707377 0.464641
+2339 5 0.640661 0.683951 0.48075
+2340 5 0.674433 0.672895 0.453228
+2353 4 0.498837 0.39321 0.591102
+2354 5 0.480319 0.434239 0.587323
+2355 5 0.501134 0.376008 0.570992
+2359 4 0.54885 0.217425 0.585901
+2360 5 0.54515 0.246927 0.569347
+2361 5 0.586537 0.209756 0.585839
+2362 4 0.317176 0.823358 0.505716
+2363 5 0.35048 0.819673 0.492559
+2364 5 0.319866 0.867733 0.516474
+2386 4 0.893628 0.620732 0.525949
+2387 5 0.887173 0.670919 0.521521
+2388 5 0.858592 0.601021 0.526517
+2392 4 0.712356 0.958117 0.421815
+2393 5 0.751154 0.947219 0.425034
+2394 5 0.702664 0.934694 0.404273
+2407 4 0.159672 0.315056 0.50087
+2408 5 0.147385 0.354084 0.512739
+2409 5 0.147528 0.330653 0.482585
+2425 4 0.746331 0.000332406 0.586402
+2426 5 0.761906 0.0329566 0.57382
+2427 5 0.730586 0.964915 0.574749
+2434 4 0.674593 0.571896 0.543376
+2435 5 0.70034 0.595312 0.555581
+2436 5 0.655222 0.541508 0.5574
+2440 4 0.449925 0.242758 0.512084
+2441 5 0.414631 0.260296 0.510541
+2442 5 0.447655 0.19374 0.519872
+2446 4 0.315335 0.0367348 0.436924
+2447 5 0.348241 0.0157522 0.43076
+2448 5 0.325155 0.0829475 0.432083
+2449 4 0.106742 0.736756 0.401115
+2450 5 0.0747186 0.712011 0.404678
+2458 4 0.027888 0.637555 0.461023
+2459 5 0.0559642 0.62836 0.475709
+2460 5 0.0278889 0.688587 0.462979
+2461 4 0.597023 0.371196 0.510045
+2462 5 0.612784 0.407379 0.497841
+2463 5 0.592648 0.334481 0.495992
+2470 4 0.917509 0.643078 0.458583
+2471 5 0.914296 0.638923 0.479048
+2472 5 0.956548 0.647898 0.455992
+2473 4 0.478259 0.773177 0.480992
+2474 5 0.445006 0.79762 0.476158
+2475 5 0.478852 0.788111 0.501305
+2482 4 0.981877 0.488387 0.560498
+2483 5 0.000317308 0.452001 0.573127
+2484 5 0.978224 0.466637 0.541698
+2485 4 0.169012 0.74279 0.520288
+2486 5 0.129659 0.73896 0.520287
+2487 5 0.180142 0.736064 0.5402
+2491 4 0.640234 0.0440221 0.445751
+2492 5 0.626051 0.00768332 0.458201
+2493 5 0.666 0.0198096 0.432859
+2494 4 0.956637 0.906576 0.47228
+2495 5 0.976885 0.869829 0.482086
+2496 5 0.982434 0.943677 0.468003
+2497 4 0.392893 0.458659 0.491282
+2498 5 0.384186 0.507335 0.493431
+2499 5 0.431684 0.446417 0.493526
+2503 4 0.342718 0.294003 0.53399
+2504 5 0.305201 0.274056 0.534839
+2505 5 0.335765 0.325817 0.517704
+2512 4 0.831663 0.00223161 0.499849
+2513 5 0.835353 0.978444 0.51772
+2514 5 0.79279 0.0042568 0.496251
+2518 4 0.774412 0.854527 0.506039
+2519 5 0.742817 0.859936 0.49529
+2520 5 0.79964 0.835734 0.491543
+2521 4 0.295032 0.776935 0.560545
+2522 5 0.264326 0.744367 0.560897
+2523 5 0.299509 0.790876 0.540381
+2527 4 0.0650751 0.571795 0.571477
+2528 5 0.0892161 0.534145 0.575697
+2529 5 0.0334236 0.543942 0.566501
+2539 4 0.839463 0.802229 0.464768
+2540 5 0.859154 0.818595 0.447751
+2541 5 0.816235 0.766245 0.456629
+2551 4 0.379268 0.0741456 0.571416
+2552 5 0.392793 0.0865072 0.589771
+2553 5 0.341808 0.0881637 0.576499
+2554 4 0.35638 0.298331 0.439039
+2555 5 0.347727 0.320264 0.456984
+2556 5 0.376007 0.332705 0.427965
+2569 4 0.736326 0.0131539 0.515713
+2570 5 0.725774 0.0560702 0.507706
+2571 5 0.710026 0.98791 0.526929
+2572 4 0.681279 0.842915 0.470162
+2573 5 0.706663 0.855834 0.454672
+2574 5 0.673886 0.793507 0.467606
+2578 4 0.0929107 0.0189879 0.509086
+2579 5 0.114343 0.99589 0.494356
+2580 5 0.0753518 0.0576774 0.499967
+2584 4 0.218772 0.851311 0.489257
+2585 5 0.201613 0.815672 0.502106
+2586 5 0.257405 0.850972 0.491832
+2590 4 0.26484 0.597655 0.557017
+2591 5 0.300611 0.599435 0.566403
+2592 5 0.273616 0.622218 0.538982
+2596 4 0.105136 0.489677 0.468072
+2597 5 0.113903 0.535517 0.474738
+2598 5 0.0691309 0.479011 0.474635
+2599 4 0.922335 0.865999 0.422723
+2600 5 0.926552 0.882586 0.442207
+2601 5 0.921995 0.905733 0.410915
+2605 4 0.87251 0.485409 0.579416
+2607 5 0.908034 0.498491 0.573022
+2608 4 0.348732 0.165367 0.435648
+2609 5 0.347415 0.216693 0.437814
+2610 5 0.354538 0.144807 0.454667
+2617 4 0.623861 0.488634 0.580277
+2618 5 0.586284 0.496552 0.573667
+2621 5 0.279084 0.262766 0.403836
+2622 5 0.324013 0.209154 0.4035
+2635 4 0.579211 0.669195 0.588067
+2636 5 0.568283 0.625787 0.581526
+2637 5 0.610469 0.67803 0.575671
+2638 4 0.556671 0.876556 0.433447
+2639 5 0.566995 0.885401 0.412792
+2640 5 0.52928 0.840769 0.430771
+2653 4 0.114864 0.401013 0.537017
+2654 5 0.118648 0.442319 0.549531
+2655 5 0.115141 0.361192 0.55069
+2656 4 0.227679 0.233331 0.456956
+2657 5 0.248341 0.239205 0.474513
+2658 5 0.198311 0.263818 0.458014
+2674 4 0.356806 0.879583 0.414495
+2676 5 0.372958 0.922686 0.414697
+2680 4 0.591185 0.274037 0.468248
+2681 5 0.605855 0.307286 0.45423
+2682 5 0.584903 0.229202 0.459438
+2686 4 0.4272 0.909986 0.530641
+2687 5 0.390135 0.92864 0.528929
+2688 5 0.44867 0.924224 0.514552
+2689 4 0.79056 0.29078 0.415158
+2690 5 0.826614 0.272327 0.413293
+2691 5 0.766389 0.25233 0.418393
+2722 4 0.468136 0.615884 0.472693
+2723 5 0.432229 0.604101 0.479651
+2724 5 0.471738 0.663981 0.478653
+2728 4 0.1153 0.608774 0.495279
+2729 5 0.131393 0.598408 0.514378
+2730 5 0.1308 0.652638 0.486883
+2737 4 0.709301 0.59226 0.421976
+2738 5 0.683278 0.570096 0.435517
+2739 5 0.744226 0.566081 0.422966
+2752 4 0.576523 0.141418 0.450488
+2755 5 0.597833 0.101058 0.443735
+2757 5 0.542171 0.139717 0.442789
+2758 4 0.469043 0.142206 0.447893
+2759 5 0.441369 0.172422 0.453734
+2760 5 0.455539 0.111978 0.434025
+2761 4 0.165909 0.5716 0.541276
+2762 5 0.144793 0.571927 0.558781
+2763 5 0.200691 0.582403 0.547199
+2764 4 0.902549 0.640041 0.585161
+2765 5 0.908789 0.621928 0.566502
+2766 5 0.921171 0.684538 0.586939
+2773 4 0.617726 0.656454 0.514299
+2774 5 0.636798 0.624776 0.527135
+2775 5 0.622767 0.697178 0.524623
+2791 4 0.0430101 0.849301 0.495172
+2792 5 0.068277 0.866255 0.480319
+2793 5 0.0536129 0.876954 0.51165
+2794 4 0.288574 0.671529 0.509062
+2795 5 0.26854 0.657708 0.492972
+2796 5 0.309673 0.713197 0.504405
+2797 4 0.919989 0.835206 0.534973
+2798 5 0.89273 0.868279 0.542743
+2799 5 0.953218 0.849569 0.54362
+2800 4 0.702475 0.295619 0.478573
+2801 5 0.666198 0.288267 0.485103
+2802 5 0.706671 0.255986 0.465397
+2809 4 0.000767861 0.509101 0.49929
+2810 5 0.961513 0.502605 0.501098
+2811 5 0.0155842 0.463347 0.501661
+2815 4 0.0348419 0.122794 0.558019
+2816 5 0.0663495 0.0935699 0.557615
+2817 5 0.00535366 0.0997965 0.548039
+2818 4 0.189921 0.122369 0.548178
+2819 5 0.189256 0.0794049 0.558109
+2820 5 0.209309 0.155393 0.560304
+2829 5 0.148554 0.459285 0.408063
+2830 4 0.971643 0.496951 0.439451
+2831 5 0.990521 0.533896 0.429487
+2832 5 0.990451 0.505059 0.458486
+2836 4 0.245306 0.470375 0.581583
+2837 5 0.254112 0.511377 0.570969
+2838 5 0.27578 0.440965 0.582545
+2839 4 0.577679 0.693254 0.42368
+2840 5 0.599607 0.712517 0.439196
+2841 5 0.584709 0.643755 0.423938
+2860 4 0.767763 0.551419 0.587092
+2861 5 0.793273 0.530557 0.574425
+2862 5 0.784686 0.591757 0.593733
+2863 4 0.408097 0.712775 0.403199
+2865 5 0.42948 0.735747 0.418553
+2872 4 0.33088 0.946745 0.53214
+2873 5 0.320918 0.934816 0.55236
+2874 5 0.315749 0.992273 0.52647
+2881 4 0.0621589 0.123642 0.468104
+2882 5 0.0965122 0.140286 0.475648
+2883 5 0.0468698 0.158545 0.455308
+2887 4 0.670386 0.466541 0.490992
+2888 5 0.67661 0.479966 0.510932
+2889 5 0.703987 0.455892 0.483665
+2893 4 0.215365 0.00433375 0.431295
+2894 5 0.199031 0.994234 0.450444
+2895 5 0.252316 0.0170507 0.433449
+1 1 0.0694743 0.138748 0.758945
+3 2 0.0655437 0.0493094 0.736631
+5 2 0.00411783 0.167269 0.739141
+7 2 0.113656 0.17606 0.736358
+9 2 0.118942 0.0924376 0.780086
+11 2 0.0144498 0.0918789 0.782923
+13 2 0.0653473 0.214619 0.783818
+15 1 0.120946 0.0128955 0.758201
+17 3 0.0238763 0.044356 0.736242
+19 3 0.988656 0.213642 0.735204
+21 1 0.954735 0.124434 0.764204
+23 3 0.125125 0.183139 0.716501
+25 3 0.152954 0.119756 0.780062
+27 3 0.0201905 0.0407116 0.783166
+31 2 0.174447 0.0356704 0.732301
+33 2 0.172092 0.221307 0.782499
+35 2 0.227168 0.16425 0.738278
+37 2 0.960539 0.0417469 0.737553
+39 2 0.279278 0.197481 0.781591
+41 2 0.238273 0.0779813 0.78289
+43 3 0.180321 0.0314309 0.711741
+45 1 0.230851 0.244937 0.761345
+49 3 0.201707 0.127037 0.735581
+51 3 0.956913 0.0391184 0.716612
+53 3 0.989209 0.22303 0.785821
+57 1 0.149759 0.00487731 0.660094
+59 2 0.140577 0.181994 0.683623
+61 2 0.211947 0.0390694 0.681229
+63 2 0.102118 0.0572822 0.681856
+65 2 0.098805 0.216802 0.637956
+67 2 0.204426 0.217063 0.635789
+69 2 0.146702 0.082525 0.63613
+71 1 0.0929778 0.132424 0.661624
+73 3 0.174225 0.171465 0.693813
+75 3 0.221695 0.0868833 0.684126
+77 1 0.25966 0.244113 0.661266
+79 3 0.0873985 0.0523342 0.702318
+81 3 0.0858094 0.22143 0.618822
+83 3 0.201428 0.168461 0.630042
+85 3 0.151842 0.0920713 0.615833
+87 2 0.0360963 0.160767 0.684507
+89 2 0.0425317 0.0954556 0.637317
+91 2 0.975838 0.0482107 0.680052
+93 2 0.258914 0.1641 0.682502
+95 2 0.267223 0.0788637 0.63545
+97 2 0.979685 0.212589 0.63868
+99 3 0.0277365 0.166305 0.705861
+101 1 0.979358 0.128325 0.660386
+103 3 0.0483011 0.102087 0.616642
+105 3 0.0050393 0.0135254 0.680709
+107 3 0.252426 0.172702 0.70258
+109 3 0.260415 0.0791067 0.614489
+111 3 0.990471 0.230177 0.618614
+113 1 0.0642591 0.384813 0.759005
+115 2 0.0698997 0.30004 0.738526
+117 2 0.00727669 0.415018 0.736559
+119 2 0.118117 0.423999 0.739652
+121 2 0.11883 0.343245 0.782168
+123 2 0.0140577 0.336065 0.781176
+125 2 0.0652948 0.462145 0.783799
+127 1 0.121544 0.26363 0.760857
+129 3 0.0406137 0.278159 0.728132
+131 3 0.994995 0.460419 0.731867
+133 1 0.95112 0.364412 0.760079
+135 3 0.123821 0.42534 0.71887
+137 3 0.149625 0.37312 0.777808
+139 3 0.034118 0.292629 0.782082
+143 2 0.180263 0.282575 0.736016
+145 2 0.173682 0.467784 0.783959
+147 2 0.233735 0.416889 0.738398
+149 2 0.951246 0.288378 0.736095
+151 2 0.28777 0.44716 0.783611
+153 2 0.238794 0.328173 0.782595
+155 3 0.186738 0.281406 0.715189
+157 1 0.234261 0.495269 0.760009
+161 3 0.206665 0.381512 0.738439
+163 3 0.963653 0.30107 0.715888
+165 3 0.988842 0.454861 0.792604
+169 1 0.14691 0.264474 0.661931
+171 2 0.145626 0.428848 0.681184
+173 2 0.207431 0.286811 0.679636
+175 2 0.101693 0.311058 0.684344
+177 2 0.0928063 0.471593 0.636233
+179 2 0.203381 0.469097 0.632028
+181 2 0.144794 0.338567 0.637437
+183 1 0.0943262 0.384978 0.659697
+185 3 0.184427 0.434019 0.684399
+187 3 0.211004 0.33574 0.682691
+189 1 0.255059 0.502528 0.654544
+191 3 0.0908421 0.31735 0.703929
+193 3 0.0542875 0.480156 0.630605
+195 3 0.22709 0.469184 0.61527
+197 3 0.182037 0.351178 0.631112
+199 2 0.0387206 0.41447 0.682517
+201 2 0.0384884 0.346108 0.638037
+203 2 0.984471 0.298354 0.683879
+205 2 0.25737 0.421275 0.679473
+207 2 0.263949 0.325081 0.634137
+209 2 0.972596 0.456782 0.636346
+211 3 0.0356019 0.4323 0.702307
+213 1 0.982211 0.382064 0.660852
+215 3 0.0431515 0.296095 0.633992
+217 3 0.0196512 0.277409 0.680046
+219 3 0.260759 0.4172 0.700654
+221 3 0.246743 0.329882 0.615
+223 3 0.977725 0.46706 0.615615
+225 1 0.0654081 0.630465 0.764076
+227 2 0.0672386 0.54353 0.739638
+229 2 0.000220506 0.661565 0.737268
+231 2 0.105869 0.673003 0.739015
+233 2 0.124966 0.587324 0.782413
+235 2 0.0129821 0.590824 0.785616
+237 2 0.0635003 0.715473 0.783522
+239 1 0.120888 0.50453 0.760877
+241 3 0.0313385 0.526665 0.733459
+243 3 0.997125 0.711118 0.739719
+245 1 0.950975 0.618018 0.757386
+247 3 0.122192 0.672201 0.71902
+249 3 0.15971 0.565289 0.789339
+251 3 0.0102219 0.54009 0.788411
+255 2 0.181315 0.531747 0.735579
+257 2 0.167718 0.711624 0.781893
+259 2 0.232644 0.656381 0.740574
+261 2 0.954699 0.534058 0.737568
+263 2 0.280594 0.703415 0.785453
+265 2 0.238819 0.573593 0.785605
+267 3 0.186393 0.529944 0.714133
+269 1 0.227506 0.740969 0.760204
+271 3 0.165764 0.659876 0.784471
+273 3 0.208079 0.618063 0.739897
+275 3 0.964882 0.541067 0.716452
+277 3 0.982288 0.71843 0.78309
+281 1 0.141575 0.515569 0.658374
+283 2 0.14095 0.690298 0.685823
+285 2 0.206689 0.540215 0.679178
+287 2 0.0960369 0.559519 0.681391
+289 2 0.098713 0.718527 0.639244
+291 2 0.203613 0.719897 0.636327
+293 2 0.148167 0.597567 0.639717
+295 1 0.092741 0.643092 0.661049
+297 3 0.175032 0.669933 0.693089
+299 3 0.227183 0.582871 0.683778
+301 1 0.266989 0.746426 0.658318
+303 3 0.0870351 0.543333 0.701441
+305 3 0.098879 0.710925 0.618528
+307 3 0.184105 0.675325 0.635628
+309 3 0.155806 0.585681 0.619603
+311 2 0.0361082 0.676759 0.684967
+313 2 0.0449493 0.610891 0.634695
+315 2 0.98173 0.545659 0.680065
+317 2 0.263391 0.667435 0.681027
+319 2 0.267605 0.585918 0.634234
+321 2 0.972315 0.711248 0.64164
+323 3 0.0272165 0.679674 0.705431
+325 1 0.981473 0.632565 0.66056
+327 3 0.0261495 0.616249 0.615347
+329 3 0.0176736 0.531549 0.672727
+331 3 0.255821 0.672598 0.701697
+333 3 0.261392 0.616702 0.617347
+335 3 0.983266 0.738055 0.624061
+337 1 0.0663 0.884339 0.759866
+339 2 0.0672679 0.798594 0.73132
+341 2 0.00110865 0.90964 0.737991
+343 2 0.10989 0.930709 0.737578
+345 2 0.115899 0.833413 0.777421
+347 2 0.0120001 0.830481 0.779271
+349 2 0.060959 0.955453 0.784471
+351 1 0.11442 0.753704 0.756508
+353 3 0.0303185 0.810664 0.727254
+355 3 0.985458 0.952866 0.733004
+357 1 0.95105 0.866346 0.759163
+359 3 0.130866 0.942656 0.71909
+361 3 0.153128 0.853869 0.776514
+363 3 0.0311209 0.788003 0.784618
+367 2 0.17675 0.773068 0.733425
+369 2 0.17313 0.976807 0.782949
+371 2 0.227458 0.912675 0.740954
+373 2 0.949806 0.789862 0.735005
+375 2 0.280885 0.950019 0.784426
+377 2 0.229475 0.816701 0.781732
+379 3 0.184605 0.782508 0.712665
+381 1 0.229198 0.999503 0.760893
+385 3 0.193488 0.885316 0.741794
+387 3 0.961778 0.799378 0.714615
+389 3 0.986814 0.943621 0.793976
+393 1 0.150684 0.763546 0.663459
+395 2 0.152943 0.926435 0.681971
+397 2 0.206467 0.798165 0.681782
+399 2 0.102362 0.815294 0.683061
+401 2 0.0994765 0.966203 0.637672
+403 2 0.205633 0.960605 0.635744
+405 2 0.153993 0.841058 0.63628
+407 1 0.095779 0.887267 0.659873
+409 3 0.18139 0.896514 0.687625
+411 3 0.228502 0.839646 0.677966
+413 1 0.262856 0.992574 0.657811
+415 3 0.0880954 0.798218 0.702479
+417 3 0.0718115 0.00300367 0.635967
+419 3 0.193173 0.913667 0.633111
+421 3 0.15477 0.847567 0.614276
+423 2 0.0334998 0.924262 0.681628
+425 2 0.0398213 0.848619 0.637438
+427 2 0.979306 0.795726 0.682543
+429 2 0.262274 0.913619 0.681669
+431 2 0.265659 0.827958 0.63791
+433 2 0.977028 0.959469 0.636677
+435 3 0.0310527 0.924925 0.702749
+437 1 0.980295 0.878912 0.65789
+439 3 0.044069 0.798269 0.635842
+441 3 0.00818853 0.763083 0.68833
+443 3 0.256653 0.921921 0.702589
+445 3 0.243932 0.830341 0.620607
+447 3 0.976262 0.977328 0.61666
+449 1 0.396281 0.129208 0.756472
+451 2 0.395987 0.0421814 0.738164
+453 2 0.340413 0.153524 0.736618
+455 2 0.445836 0.170077 0.736979
+457 2 0.447517 0.0840514 0.78031
+459 2 0.338905 0.0811683 0.782106
+461 2 0.398158 0.20308 0.782288
+463 1 0.449159 0.0024026 0.760611
+465 3 0.369212 0.0164065 0.726528
+467 3 0.329209 0.200629 0.730192
+469 1 0.285762 0.116744 0.760029
+471 3 0.452903 0.174983 0.715948
+473 3 0.483113 0.108649 0.77378
+475 3 0.362863 0.0404622 0.784901
+479 2 0.511152 0.0302798 0.736637
+481 2 0.510927 0.221216 0.781127
+483 2 0.567533 0.164679 0.736485
+485 2 0.275687 0.0362356 0.737247
+487 2 0.614633 0.206605 0.78393
+489 2 0.569048 0.0729923 0.779228
+491 3 0.526491 0.0369222 0.71615
+493 1 0.564975 0.25136 0.759693
+497 3 0.537808 0.131923 0.734936
+499 3 0.283659 0.0432572 0.716034
+501 3 0.30631 0.204326 0.795998
+505 1 0.476861 0.0077719 0.660949
+507 2 0.477971 0.180701 0.684991
+509 2 0.537479 0.0416878 0.682548
+511 2 0.432866 0.0520629 0.684212
+513 2 0.426996 0.210708 0.64098
+515 2 0.527464 0.22606 0.640018
+517 2 0.473716 0.086618 0.637245
+519 1 0.427375 0.135119 0.663785
+521 3 0.515822 0.167731 0.685717
+523 3 0.564393 0.0771839 0.685271
+525 1 0.58777 0.248749 0.65998
+527 3 0.426979 0.0536849 0.705058
+529 3 0.419668 0.207644 0.620028
+531 3 0.528812 0.205393 0.620519
+533 3 0.480284 0.0842641 0.616551
+535 2 0.369691 0.159298 0.684391
+537 2 0.372288 0.0896946 0.635638
+539 2 0.313348 0.0365177 0.679617
+541 2 0.591307 0.167223 0.684205
+543 2 0.592577 0.0806735 0.639217
+545 2 0.314451 0.20072 0.640994
+547 3 0.360647 0.156184 0.705197
+549 1 0.318225 0.119225 0.660133
+551 3 0.393501 0.0550097 0.6263
+553 3 0.351117 0.0219018 0.683427
+555 3 0.580451 0.170386 0.704728
+557 3 0.556994 0.0935339 0.633861
+559 3 0.351618 0.214279 0.640732
+561 1 0.399214 0.381497 0.75965
+563 2 0.402144 0.300288 0.73628
+565 2 0.342873 0.408526 0.737375
+567 2 0.444533 0.424347 0.73828
+569 2 0.456476 0.336114 0.781822
+571 2 0.34756 0.334102 0.783203
+573 2 0.40016 0.460141 0.781575
+575 1 0.454707 0.253633 0.759117
+577 3 0.364855 0.287243 0.739705
+579 3 0.346652 0.458247 0.734013
+581 1 0.291169 0.373281 0.759799
+583 3 0.446819 0.41377 0.716816
+585 3 0.491283 0.35747 0.780544
+587 3 0.35211 0.282461 0.781179
+591 2 0.512072 0.279857 0.733947
+593 2 0.504763 0.473481 0.782932
+595 2 0.568475 0.409171 0.73616
+597 2 0.287288 0.290348 0.736145
+599 2 0.61066 0.459196 0.782042
+601 2 0.571874 0.331439 0.783532
+603 3 0.515572 0.293032 0.712528
+605 1 0.561749 0.500889 0.758537
+609 3 0.533073 0.387683 0.736254
+611 3 0.297554 0.297081 0.716025
+613 3 0.316985 0.442325 0.796589
+617 1 0.473149 0.262202 0.662653
+619 2 0.478447 0.432753 0.682781
+621 2 0.538915 0.30236 0.681827
+623 2 0.426974 0.304737 0.685097
+625 2 0.428065 0.472347 0.638797
+627 2 0.534551 0.476397 0.634996
+629 2 0.469949 0.345407 0.639433
+631 1 0.420389 0.386771 0.661721
+633 3 0.517909 0.424606 0.684967
+635 3 0.548464 0.352175 0.684319
+637 1 0.59077 0.504636 0.656907
+639 3 0.417739 0.302276 0.706619
+641 3 0.430029 0.479818 0.617697
+643 3 0.524653 0.439596 0.620824
+645 3 0.485538 0.346961 0.619324
+647 2 0.365677 0.41591 0.681123
+649 2 0.36718 0.350096 0.634832
+651 2 0.308681 0.29317 0.681715
+653 2 0.590788 0.421019 0.682834
+655 2 0.592417 0.328324 0.635581
+657 2 0.309643 0.46173 0.63503
+659 3 0.360394 0.400788 0.701432
+661 1 0.310482 0.378043 0.653494
+663 3 0.383284 0.310936 0.62362
+665 3 0.344803 0.274203 0.680836
+667 3 0.584281 0.412965 0.704593
+669 3 0.554742 0.329171 0.630046
+671 3 0.344324 0.486049 0.635185
+673 1 0.396235 0.634221 0.757305
+675 2 0.393788 0.545138 0.736398
+677 2 0.336682 0.667936 0.740094
+679 2 0.442895 0.675911 0.732785
+681 2 0.449625 0.59152 0.778898
+683 2 0.343457 0.589483 0.78468
+685 2 0.401134 0.712071 0.781065
+687 1 0.452595 0.50606 0.757246
+689 3 0.352332 0.544451 0.733138
+691 3 0.325651 0.71344 0.731777
+693 1 0.285622 0.621851 0.763084
+695 3 0.451072 0.677341 0.711597
+697 3 0.484542 0.60962 0.773216
+699 3 0.360062 0.545045 0.787477
+703 2 0.508401 0.532894 0.735229
+705 2 0.50554 0.719753 0.780736
+707 2 0.565064 0.670753 0.739788
+709 2 0.290505 0.537696 0.738558
+711 2 0.620875 0.708663 0.783475
+713 2 0.567563 0.585576 0.782779
+715 3 0.521609 0.542314 0.71557
+717 1 0.563452 0.742245 0.761224
+721 3 0.533221 0.652683 0.73094
+723 3 0.279573 0.534326 0.717547
+725 3 0.317134 0.71589 0.790211
+729 1 0.47812 0.509959 0.661465
+731 2 0.48142 0.678973 0.680768
+733 2 0.53964 0.544043 0.68005
+735 2 0.430117 0.561969 0.682335
+737 2 0.42238 0.718721 0.638847
+739 2 0.54072 0.723954 0.634967
+741 2 0.479222 0.595081 0.637024
+743 1 0.426097 0.635228 0.660758
+745 3 0.520698 0.668621 0.679027
+747 3 0.556593 0.588632 0.682307
+749 1 0.595099 0.750407 0.658373
+751 3 0.421355 0.552457 0.702793
+753 3 0.396309 0.759839 0.638441
+755 3 0.550837 0.710192 0.614768
+757 3 0.517974 0.610797 0.637045
+759 2 0.364038 0.66116 0.682921
+761 2 0.376315 0.594626 0.634142
+763 2 0.312851 0.5412 0.680673
+765 2 0.586289 0.667149 0.684372
+767 2 0.599083 0.58502 0.640027
+769 2 0.31291 0.703196 0.63387
+771 3 0.364481 0.656279 0.703951
+773 1 0.317396 0.624429 0.659323
+775 3 0.3977 0.555986 0.626454
+777 3 0.339954 0.506801 0.687653
+779 3 0.586165 0.666495 0.706971
+781 3 0.598473 0.614813 0.622782
+783 3 0.343764 0.718866 0.622404
+785 1 0.391183 0.879592 0.759549
+787 2 0.393507 0.800222 0.737503
+789 2 0.335974 0.916376 0.738849
+791 2 0.443154 0.923141 0.737765
+793 2 0.449581 0.835709 0.782552
+795 2 0.337069 0.83936 0.783798
+797 2 0.394726 0.957378 0.784489
+799 1 0.453541 0.756839 0.757864
+801 3 0.356407 0.78707 0.733702
+803 3 0.317284 0.957964 0.734604
+805 1 0.279878 0.86819 0.763367
+807 3 0.45269 0.93102 0.717151
+809 3 0.484095 0.857694 0.779227
+811 3 0.355966 0.797485 0.790472
+815 2 0.5058 0.79011 0.736104
+817 2 0.503293 0.966322 0.783428
+819 2 0.562583 0.913182 0.740449
+821 2 0.287461 0.792459 0.737309
+823 2 0.614729 0.952475 0.783409
+825 2 0.567385 0.82278 0.781582
+827 3 0.509128 0.786949 0.714784
+829 1 0.559918 0.990521 0.762542
+833 3 0.528672 0.884666 0.738076
+835 3 0.288235 0.801527 0.715846
+837 3 0.317814 0.957804 0.789417
+841 1 0.478941 0.7618 0.660832
+843 2 0.476848 0.9245 0.682865
+845 2 0.535465 0.79968 0.682831
+847 2 0.424076 0.802591 0.683321
+849 2 0.429728 0.964466 0.636911
+851 2 0.534175 0.968385 0.638078
+853 2 0.474785 0.839933 0.63879
+855 1 0.424111 0.885296 0.660623
+857 3 0.513474 0.907503 0.686976
+859 3 0.561348 0.836119 0.687328
+861 1 0.5896 0.996133 0.65982
+863 3 0.415071 0.805449 0.704683
+865 3 0.443269 0.959743 0.616771
+867 3 0.513771 0.965601 0.619078
+869 3 0.474908 0.844499 0.617825
+871 2 0.370844 0.909049 0.683485
+873 2 0.373056 0.843257 0.636085
+875 2 0.317052 0.790058 0.681361
+877 2 0.592603 0.919464 0.683949
+879 2 0.594562 0.838936 0.63872
+881 2 0.316974 0.950251 0.636545
+883 3 0.360032 0.893358 0.702507
+885 1 0.315999 0.875047 0.657628
+887 3 0.377943 0.838844 0.614702
+889 3 0.3536 0.772449 0.683347
+891 3 0.58499 0.915117 0.704661
+893 3 0.556865 0.852789 0.63972
+895 3 0.350648 0.967429 0.628637
+897 1 0.732515 0.127993 0.759939
+899 2 0.73128 0.0559573 0.737892
+901 2 0.671488 0.17294 0.739533
+903 2 0.780552 0.179581 0.737577
+905 2 0.786858 0.0851834 0.781376
+907 2 0.675844 0.101754 0.784513
+909 2 0.733975 0.219268 0.783007
+911 1 0.784734 0.000704872 0.763598
+913 3 0.697835 0.0500206 0.726587
+915 3 0.657397 0.220759 0.741041
+917 1 0.620638 0.117986 0.756913
+919 3 0.796241 0.180068 0.718087
+921 3 0.81891 0.110043 0.785453
+927 2 0.850368 0.0332608 0.738346
+929 2 0.844095 0.212738 0.782117
+931 2 0.898401 0.161275 0.739951
+933 2 0.626617 0.0390373 0.737503
+935 2 0.953181 0.20653 0.781748
+937 2 0.912061 0.0711811 0.785347
+939 3 0.841399 0.0381027 0.717569
+941 1 0.897461 0.241277 0.75848
+945 3 0.866499 0.132992 0.734668
+947 3 0.62306 0.0325556 0.717121
+949 3 0.648515 0.199903 0.79293
+953 1 0.815866 0.018206 0.663402
+955 2 0.813136 0.178507 0.682881
+957 2 0.873252 0.0517967 0.682837
+959 2 0.767032 0.057774 0.684937
+961 2 0.761042 0.222995 0.640015
+963 2 0.867358 0.221269 0.638805
+965 2 0.813053 0.0905932 0.637997
+967 1 0.75985 0.140511 0.664589
+969 3 0.85134 0.168933 0.68515
+971 3 0.892916 0.0951809 0.688323
+973 1 0.928661 0.254188 0.659463
+975 3 0.762864 0.0586931 0.706109
+977 3 0.733183 0.251504 0.633263
+979 3 0.856055 0.171122 0.641272
+981 3 0.828008 0.0770122 0.619484
+983 2 0.694518 0.172239 0.685104
+985 2 0.708501 0.100317 0.640772
+987 2 0.64455 0.0478094 0.684053
+989 2 0.927741 0.172867 0.683653
+991 2 0.930965 0.0899576 0.634438
+993 2 0.638128 0.204953 0.638495
+995 3 0.685538 0.167399 0.706727
+997 1 0.649098 0.129488 0.660542
+999 3 0.724412 0.0709445 0.625284
+1001 3 0.676144 0.0184236 0.683722
+1003 3 0.928607 0.172141 0.704065
+1005 3 0.93081 0.0909592 0.612221
+1007 3 0.650143 0.20809 0.617888
+1009 1 0.736694 0.382361 0.761437
+1011 2 0.734403 0.306071 0.737182
+1013 2 0.672955 0.421616 0.740344
+1015 2 0.787509 0.430778 0.739885
+1017 2 0.788667 0.336726 0.783209
+1019 2 0.681325 0.347039 0.782711
+1021 2 0.734647 0.468422 0.785555
+1023 1 0.789096 0.252178 0.761253
+1025 3 0.706001 0.285004 0.725987
+1027 3 0.666495 0.472598 0.74034
+1029 1 0.617852 0.373888 0.758796
+1031 3 0.797357 0.427529 0.719386
+1033 3 0.826062 0.351091 0.779243
+1035 3 0.688338 0.300091 0.789686
+1039 2 0.846874 0.287371 0.736544
+1041 2 0.847929 0.467337 0.785844
+1043 2 0.899998 0.411588 0.739013
+1045 2 0.619412 0.289548 0.738752
+1047 2 0.954432 0.447646 0.784515
+1049 2 0.904514 0.323769 0.782018
+1051 3 0.84716 0.286437 0.715381
+1053 1 0.903111 0.489577 0.761715
+1057 3 0.864813 0.390461 0.73579
+1059 3 0.616048 0.290971 0.717089
+1061 3 0.637973 0.483744 0.794288
+1065 1 0.815636 0.266658 0.66055
+1067 2 0.808321 0.427434 0.686307
+1069 2 0.874474 0.294971 0.683977
+1071 2 0.768939 0.308784 0.682481
+1073 2 0.761356 0.461133 0.637618
+1075 2 0.866673 0.470358 0.6376
+1077 2 0.817019 0.341333 0.636554
+1079 1 0.755419 0.386591 0.660965
+1081 3 0.846764 0.419412 0.691318
+1083 3 0.891918 0.321146 0.699613
+1085 1 0.926568 0.501109 0.658234
+1087 3 0.75802 0.30798 0.703282
+1089 3 0.763532 0.478341 0.617754
+1091 3 0.854402 0.422874 0.633588
+1093 3 0.828537 0.334741 0.616239
+1095 2 0.701157 0.415778 0.68319
+1097 2 0.708232 0.348819 0.637807
+1099 2 0.642538 0.294406 0.681685
+1101 2 0.93139 0.426969 0.682991
+1103 2 0.931958 0.330359 0.63935
+1105 2 0.644207 0.453855 0.637929
+1107 3 0.69525 0.426444 0.703373
+1109 1 0.64451 0.372687 0.661849
+1111 3 0.698539 0.345918 0.616832
+1113 3 0.671242 0.261366 0.685245
+1115 3 0.931043 0.433313 0.704324
+1117 3 0.913041 0.341824 0.622351
+1119 3 0.681128 0.450674 0.632165
+1121 1 0.72741 0.635417 0.758083
+1123 2 0.736063 0.548197 0.739095
+1125 2 0.671468 0.662392 0.737296
+1127 2 0.778542 0.67843 0.738149
+1129 2 0.787868 0.597977 0.782467
+1131 2 0.674022 0.582884 0.782291
+1133 2 0.728183 0.711819 0.782299
+1135 1 0.791748 0.509192 0.761069
+1137 3 0.700453 0.541786 0.729837
+1139 3 0.658141 0.708941 0.734763
+1141 1 0.617961 0.619939 0.759362
+1143 3 0.79174 0.673853 0.718657
+1145 3 0.808973 0.643421 0.786389
+1147 3 0.696485 0.541185 0.783306
+1151 2 0.846358 0.535653 0.737632
+1153 2 0.839262 0.71773 0.783821
+1155 2 0.894777 0.664733 0.737015
+1157 2 0.614597 0.543082 0.737535
+1159 2 0.945254 0.696251 0.782024
+1161 2 0.909735 0.568818 0.781177
+1163 3 0.858748 0.533784 0.716799
+1165 1 0.897361 0.74421 0.7604
+1169 3 0.863203 0.636691 0.739376
+1171 3 0.618072 0.53412 0.716012
+1173 3 0.657564 0.716006 0.790546
+1177 1 0.810434 0.504314 0.66192
+1179 2 0.809364 0.68213 0.68633
+1181 2 0.872338 0.538024 0.683176
+1183 2 0.762171 0.550981 0.684999
+1185 2 0.760722 0.714352 0.641064
+1187 2 0.865719 0.720844 0.640688
+1189 2 0.814211 0.591197 0.640443
+1191 1 0.761228 0.632689 0.66273
+1193 3 0.847259 0.674102 0.690216
+1195 3 0.883351 0.587523 0.682616
+1197 1 0.922766 0.749455 0.663672
+1199 3 0.759352 0.531587 0.705669
+1201 3 0.770194 0.710083 0.620286
+1203 3 0.861583 0.67687 0.630573
+1205 3 0.848605 0.580506 0.631501
+1207 2 0.703339 0.67185 0.685815
+1209 2 0.710549 0.596001 0.642394
+1211 2 0.652905 0.547804 0.68304
+1213 2 0.924504 0.667105 0.683975
+1215 2 0.931161 0.585012 0.635232
+1217 2 0.643676 0.704063 0.64113
+1219 3 0.70119 0.665355 0.707107
+1221 1 0.655612 0.626213 0.664855
+1223 3 0.70508 0.577897 0.622091
+1225 3 0.686259 0.518903 0.680074
+1227 3 0.918741 0.666599 0.70598
+1229 3 0.924366 0.592737 0.615684
+1231 3 0.669164 0.72637 0.628598
+1233 1 0.729664 0.886371 0.760873
+1235 2 0.733662 0.804885 0.739959
+1237 2 0.671945 0.913879 0.74002
+1239 2 0.781322 0.931105 0.739571
+1241 2 0.785236 0.843974 0.784937
+1243 2 0.675058 0.834338 0.78371
+1245 2 0.728689 0.963873 0.783256
+1247 1 0.788677 0.757329 0.759039
+1249 3 0.694272 0.796798 0.740622
+1251 3 0.661235 0.962495 0.739703
+1253 1 0.617146 0.868099 0.761621
+1255 3 0.797031 0.936936 0.719532
+1257 3 0.81944 0.867062 0.781554
+1259 3 0.694354 0.78911 0.786958
+1263 2 0.846221 0.789666 0.738038
+1265 2 0.838202 0.965316 0.785236
+1267 2 0.90016 0.917415 0.739966
+1269 2 0.620063 0.789396 0.736149
+1271 2 0.950783 0.951789 0.78628
+1273 2 0.903544 0.824556 0.782551
+1275 3 0.847754 0.792589 0.716604
+1277 1 0.897522 0.995072 0.763364
+1281 3 0.867946 0.88608 0.738303
+1283 3 0.623462 0.787796 0.714942
+1285 3 0.648116 0.97868 0.783214
+1289 1 0.812184 0.757604 0.663491
+1291 2 0.820904 0.930995 0.687982
+1293 2 0.872166 0.795044 0.684012
+1295 2 0.767294 0.808525 0.688261
+1297 2 0.762437 0.962064 0.644797
+1299 2 0.870963 0.97527 0.637826
+1301 2 0.813771 0.841122 0.643584
+1303 1 0.767271 0.889217 0.667282
+1305 3 0.857895 0.929178 0.694952
+1307 3 0.87673 0.846548 0.682901
+1309 1 0.925006 0.00403247 0.658824
+1311 3 0.754291 0.792364 0.706524
+1313 3 0.755701 0.968821 0.62377
+1315 3 0.870338 0.947802 0.619586
+1317 3 0.847441 0.864807 0.636946
+1319 2 0.703802 0.918179 0.687134
+1321 2 0.70442 0.844569 0.641358
+1323 2 0.642873 0.787179 0.682406
+1325 2 0.927508 0.92522 0.682663
+1327 2 0.929235 0.829692 0.637997
+1329 2 0.645582 0.957251 0.641057
+1331 3 0.68873 0.921749 0.706415
+1333 1 0.652268 0.876078 0.664059
+1335 3 0.719607 0.796063 0.642076
+1337 3 0.670706 0.753265 0.6879
+1339 3 0.93414 0.924 0.704438
+1341 3 0.909392 0.831907 0.620418
+1343 3 0.683622 0.972233 0.638386
+1359 5 0.11958 0.9622 0.603452
+1391 5 0.867211 0.228482 0.601663
+1425 5 0.355899 0.599822 0.602598
+1485 5 0.0207616 0.874692 0.602882
+1607 5 0.605653 0.0554085 0.60242
+1628 5 0.621822 0.840958 0.611146
+1632 5 0.751178 0.870369 0.607613
+1757 5 0.31202 0.936646 0.602552
+1782 5 0.427303 0.699077 0.607405
+1878 5 0.112638 0.470477 0.606901
+2022 5 0.208265 0.247465 0.604274
+2075 5 0.0240659 0.378321 0.608896
+2148 5 0.353332 0.368556 0.602847
+2175 5 0.765562 0.201734 0.606392
+2291 5 0.212313 0.988314 0.607405
+2307 5 0.308801 0.187847 0.601944
+2330 5 0.62288 0.337766 0.608851
+2606 5 0.864255 0.485451 0.60033
+2619 5 0.616456 0.48046 0.601103
+2 1 0.0149231 0.129134 0.958809
+4 2 0.0114962 0.0438774 0.938154
+6 2 0.953916 0.159951 0.939737
+8 2 0.0589931 0.173345 0.935437
+10 2 0.068183 0.0790174 0.982122
+12 2 0.957848 0.0913798 0.987175
+14 2 0.0156985 0.203008 0.983691
+16 1 0.0652418 0.999257 0.958369
+18 3 0.972822 0.0482094 0.931852
+20 3 0.938462 0.208028 0.941581
+22 1 0.231123 0.121962 0.959198
+24 3 0.0707823 0.172006 0.91486
+28 3 0.960086 0.0470111 0.995741
+29 3 0.0629726 0.21091 0.80535
+30 3 0.978048 0.213279 0.989016
+32 2 0.119507 0.0280768 0.935079
+34 2 0.116215 0.21686 0.983536
+36 2 0.174556 0.16414 0.939145
+38 2 0.22793 0.0494289 0.937413
+40 2 0.223787 0.198179 0.984444
+42 2 0.169636 0.0745467 0.979939
+44 3 0.118357 0.0427739 0.914402
+46 1 0.178614 0.243662 0.960307
+47 3 0.174796 0.213091 0.80397
+48 3 0.107278 0.172535 0.99248
+50 3 0.144807 0.129983 0.939349
+52 3 0.234987 0.0493933 0.916141
+55 3 0.227135 0.0789468 0.803737
+56 3 0.13226 0.0844193 0.979917
+58 1 0.0969325 0.0059363 0.861127
+60 2 0.0957022 0.170267 0.882885
+62 2 0.155739 0.0390168 0.883282
+64 2 0.0385486 0.0454312 0.882569
+66 2 0.0420733 0.217318 0.836251
+68 2 0.148175 0.210746 0.839373
+70 2 0.0962233 0.0865749 0.839541
+72 1 0.0396364 0.132854 0.861562
+74 3 0.136592 0.164647 0.883617
+76 3 0.172185 0.0832474 0.887977
+78 1 0.202525 0.246454 0.859276
+80 3 0.0297046 0.0323161 0.903078
+82 3 0.00849621 0.242862 0.838523
+84 3 0.13478 0.164941 0.838609
+86 3 0.0988401 0.0963492 0.817997
+88 2 0.985409 0.166116 0.882524
+90 2 0.984894 0.0947944 0.836846
+92 2 0.256832 0.0406386 0.882211
+94 2 0.203803 0.157562 0.884035
+96 2 0.208003 0.0775981 0.838069
+98 2 0.252547 0.201489 0.838603
+100 3 0.974909 0.162621 0.903243
+102 1 0.263588 0.119106 0.86107
+104 3 0.99809 0.0956885 0.816958
+106 3 0.962517 0.0160111 0.883792
+108 3 0.19965 0.172751 0.903624
+110 3 0.171268 0.0970671 0.841197
+112 3 0.253784 0.200991 0.817424
+114 1 0.00950792 0.377876 0.958336
+116 2 0.0143583 0.301182 0.933545
+118 2 0.948967 0.411296 0.938172
+120 2 0.0518329 0.429198 0.935667
+122 2 0.0689381 0.339228 0.978298
+124 2 0.956898 0.334093 0.980222
+126 2 0.011867 0.447527 0.984847
+128 1 0.0664545 0.25647 0.956968
+130 3 0.977056 0.301966 0.926969
+132 3 0.931284 0.456505 0.940494
+134 1 0.225405 0.371151 0.95904
+136 3 0.0561747 0.424013 0.914159
+138 3 0.0891394 0.380902 0.984517
+140 3 0.960442 0.297312 0.995395
+141 3 0.0600537 0.462945 0.805421
+144 2 0.123773 0.283431 0.937331
+146 2 0.118662 0.46593 0.98249
+148 2 0.173549 0.407035 0.9353
+150 2 0.228083 0.294369 0.933379
+152 2 0.225614 0.450502 0.979366
+154 2 0.18209 0.323923 0.983159
+156 3 0.128926 0.280798 0.91715
+158 1 0.179193 0.507441 0.959355
+159 3 0.16336 0.459096 0.804637
+162 3 0.144239 0.373736 0.934294
+164 3 0.230886 0.299366 0.91193
+166 3 0.247376 0.441055 0.996194
+167 3 0.221234 0.329873 0.80158
+168 3 0.154903 0.330738 0.998568
+170 1 0.0956176 0.265119 0.857908
+172 2 0.0840226 0.427511 0.883478
+174 2 0.15342 0.288988 0.881441
+176 2 0.0483235 0.302648 0.879238
+178 2 0.0352336 0.4639 0.83897
+180 2 0.147719 0.456132 0.838056
+182 2 0.0991406 0.342244 0.835253
+184 1 0.0361523 0.386839 0.861065
+186 3 0.116024 0.433138 0.895964
+188 3 0.159089 0.340875 0.88336
+190 1 0.205536 0.497802 0.858971
+192 3 0.040897 0.298771 0.900025
+194 3 0.00250196 0.493656 0.842128
+196 3 0.130701 0.40973 0.837395
+198 3 0.0986828 0.337035 0.814097
+200 2 0.978971 0.408189 0.884951
+202 2 0.987561 0.335796 0.838348
+204 2 0.260195 0.285197 0.881512
+206 2 0.208588 0.416695 0.885475
+208 2 0.210387 0.326789 0.837222
+210 2 0.253881 0.450221 0.837786
+212 3 0.970453 0.407035 0.905795
+214 1 0.263504 0.371776 0.861403
+216 3 0.00221295 0.33522 0.817666
+218 3 0.953087 0.248261 0.880134
+220 3 0.197544 0.413667 0.906071
+222 3 0.172229 0.331445 0.833005
+224 3 0.252123 0.45313 0.817053
+226 1 0.0153144 0.627571 0.960432
+228 2 0.0145412 0.551993 0.938069
+230 2 0.955864 0.659279 0.935118
+232 2 0.0636134 0.679136 0.938169
+234 2 0.0681954 0.587962 0.98257
+236 2 0.959189 0.592277 0.982889
+238 2 0.00969572 0.708467 0.983099
+240 1 0.0723711 0.499122 0.958468
+242 3 0.976714 0.543098 0.930978
+244 3 0.943989 0.707097 0.932186
+246 1 0.234464 0.629875 0.958709
+248 3 0.0771052 0.68983 0.91821
+250 3 0.075411 0.629652 0.993896
+253 3 0.0522442 0.706679 0.802921
+254 3 0.970762 0.715797 0.982802
+256 2 0.125766 0.531174 0.937327
+258 2 0.115104 0.718635 0.984188
+260 2 0.173895 0.667106 0.935862
+262 2 0.231757 0.544056 0.935963
+264 2 0.223321 0.705872 0.982867
+266 2 0.179184 0.582491 0.982468
+268 3 0.119837 0.535869 0.915969
+270 1 0.172163 0.741924 0.958282
+274 3 0.144991 0.633939 0.933043
+276 3 0.239765 0.537213 0.915223
+279 3 0.231324 0.573617 0.807429
+280 3 0.151711 0.619409 0.988347
+282 1 0.0917316 0.507068 0.859265
+284 2 0.0920484 0.682478 0.882071
+286 2 0.150053 0.534832 0.880424
+288 2 0.0485045 0.559398 0.882778
+290 2 0.0388977 0.710664 0.837459
+292 2 0.146807 0.713384 0.83709
+294 2 0.0876594 0.584452 0.836424
+296 1 0.0359086 0.632407 0.858129
+298 3 0.128964 0.665468 0.879754
+300 3 0.166952 0.581598 0.882069
+302 1 0.205111 0.741473 0.858275
+304 3 0.038425 0.558556 0.902963
+306 3 0.00711077 0.741581 0.838606
+308 3 0.144345 0.713159 0.814695
+310 3 0.0994563 0.589847 0.816807
+312 2 0.98383 0.660033 0.882185
+314 2 0.982976 0.585882 0.838154
+316 2 0.261227 0.535222 0.881108
+318 2 0.204008 0.655139 0.882834
+320 2 0.210078 0.576382 0.837462
+322 2 0.254458 0.69226 0.838127
+324 3 0.97574 0.656027 0.903707
+326 1 0.259973 0.619298 0.860246
+328 3 0.99039 0.594422 0.817024
+330 3 0.963409 0.506329 0.886506
+332 3 0.185231 0.663143 0.901896
+334 3 0.179579 0.60745 0.834969
+336 3 0.260385 0.692495 0.81646
+338 1 0.0071874 0.881746 0.956819
+340 2 0.00545981 0.797549 0.938171
+342 2 0.950093 0.913028 0.93709
+344 2 0.0622269 0.916652 0.934562
+346 2 0.0615254 0.832854 0.982823
+348 2 0.947111 0.848441 0.98263
+350 2 0.0148672 0.955785 0.981781
+352 1 0.067358 0.757381 0.959389
+354 3 0.967015 0.785771 0.934909
+356 3 0.935059 0.959092 0.934203
+358 1 0.234516 0.872011 0.957812
+360 3 0.0695288 0.910003 0.913788
+364 3 0.953474 0.807613 0.993692
+365 3 0.0656366 0.954389 0.806783
+368 2 0.122365 0.787175 0.936198
+370 2 0.119773 0.952444 0.981269
+372 2 0.17782 0.909936 0.935898
+374 2 0.236946 0.792385 0.934877
+376 2 0.228813 0.950886 0.982492
+378 2 0.179148 0.829684 0.980835
+380 3 0.134164 0.791794 0.915806
+382 1 0.178298 0.99308 0.957809
+383 3 0.167072 0.968637 0.803411
+384 3 0.0950043 0.914322 0.98628
+386 3 0.14325 0.888761 0.931862
+388 3 0.242898 0.798945 0.913851
+390 3 0.262815 0.946368 0.993518
+391 3 0.217737 0.815661 0.802232
+392 3 0.143895 0.848402 0.983218
+394 1 0.0975247 0.758333 0.860174
+396 2 0.0952538 0.92512 0.882457
+398 2 0.15613 0.784106 0.881737
+400 2 0.0497631 0.804218 0.882839
+402 2 0.0418673 0.963484 0.839952
+404 2 0.147469 0.959942 0.840243
+406 2 0.0961961 0.835774 0.834166
+408 1 0.0403905 0.882422 0.86366
+410 3 0.132739 0.924483 0.889489
+412 3 0.163293 0.833085 0.876619
+414 1 0.204586 0.992732 0.859184
+416 3 0.039995 0.792981 0.904388
+418 3 0.01509 0.999727 0.838974
+420 3 0.12888 0.916623 0.83479
+422 3 0.0921053 0.830205 0.813033
+424 2 0.980508 0.90698 0.88578
+426 2 0.99037 0.84457 0.837266
+428 2 0.264415 0.786721 0.881941
+430 2 0.212094 0.912294 0.882332
+432 2 0.205321 0.823264 0.839115
+434 2 0.255323 0.947124 0.838787
+436 3 0.973865 0.901764 0.906704
+438 1 0.262895 0.871903 0.859648
+440 3 0.993593 0.848996 0.816336
+442 3 0.968089 0.759477 0.883781
+444 3 0.208185 0.912702 0.904013
+446 3 0.173227 0.840008 0.829471
+448 3 0.267446 0.95968 0.818402
+450 1 0.344908 0.129896 0.959001
+452 2 0.339599 0.0446321 0.93634
+454 2 0.286017 0.159743 0.938565
+456 2 0.389309 0.178052 0.935295
+458 2 0.39062 0.0778849 0.979303
+460 2 0.285614 0.0898609 0.983678
+462 2 0.349984 0.207957 0.981466
+464 1 0.389637 0.999776 0.959748
+466 3 0.306915 0.0497351 0.923466
+468 3 0.292336 0.209278 0.942659
+470 1 0.560673 0.11744 0.960477
+472 3 0.392166 0.189671 0.914977
+474 3 0.38745 0.0882066 0.999825
+476 3 0.287787 0.0392005 0.980832
+477 3 0.396758 0.203699 0.803605
+478 3 0.318951 0.227367 0.991807
+480 2 0.454365 0.0276457 0.937229
+482 2 0.451925 0.218747 0.982622
+484 2 0.510669 0.163529 0.937573
+486 2 0.558729 0.0373497 0.938051
+488 2 0.558694 0.192213 0.98384
+490 2 0.511677 0.0740391 0.981855
+492 3 0.463658 0.0431667 0.917428
+494 1 0.50921 0.243057 0.958654
+495 3 0.50314 0.210636 0.802272
+496 3 0.42428 0.197624 0.99458
+498 3 0.473315 0.143458 0.937336
+500 3 0.571285 0.0356803 0.917262
+503 3 0.56331 0.0805044 0.800143
+504 3 0.479446 0.0987991 0.987777
+506 1 0.424023 0.00883058 0.86113
+508 2 0.420115 0.174845 0.881341
+510 2 0.490193 0.0351699 0.880208
+512 2 0.376059 0.0547323 0.882493
+514 2 0.371137 0.210887 0.838645
+516 2 0.490372 0.207584 0.834392
+518 2 0.426629 0.0865231 0.835979
+520 1 0.369021 0.129787 0.861219
+522 3 0.458923 0.165565 0.883039
+524 3 0.502612 0.0811411 0.886048
+526 1 0.544956 0.238041 0.860652
+528 3 0.371872 0.0577218 0.904251
+530 3 0.343388 0.239784 0.830159
+532 3 0.480327 0.160222 0.830814
+534 3 0.426151 0.0849885 0.814267
+536 2 0.310624 0.163202 0.884755
+538 2 0.315925 0.0923071 0.839217
+540 2 0.598665 0.0303245 0.884081
+542 2 0.536747 0.155778 0.8817
+544 2 0.544418 0.0646241 0.835021
+546 2 0.592355 0.189726 0.837189
+548 3 0.302217 0.165788 0.905603
+550 1 0.592204 0.113316 0.857267
+552 3 0.32287 0.0786979 0.819065
+554 3 0.282002 0.00496509 0.887416
+556 3 0.541091 0.156507 0.902979
+558 3 0.511448 0.053467 0.825596
+560 3 0.593846 0.19663 0.815822
+562 1 0.339559 0.379422 0.957329
+564 2 0.335304 0.299319 0.93361
+566 2 0.282354 0.41772 0.934534
+568 2 0.392898 0.418802 0.934816
+570 2 0.398722 0.336224 0.975892
+572 2 0.285171 0.345154 0.979855
+574 2 0.34536 0.462826 0.979369
+576 1 0.394564 0.256848 0.956421
+578 3 0.296476 0.300607 0.930521
+580 3 0.268425 0.466397 0.937442
+582 1 0.57 0.360794 0.958445
+584 3 0.408089 0.424529 0.915321
+586 3 0.419171 0.379846 0.972391
+588 3 0.285205 0.325794 0.998564
+589 3 0.402911 0.461471 0.803408
+592 2 0.452978 0.284796 0.93485
+594 2 0.449037 0.464167 0.981751
+596 2 0.513948 0.404578 0.940444
+598 2 0.563938 0.291817 0.934857
+600 2 0.553748 0.441976 0.986529
+602 2 0.517173 0.319503 0.980661
+604 3 0.44798 0.284201 0.913578
+606 1 0.510558 0.488426 0.959541
+607 3 0.496764 0.46247 0.803586
+610 3 0.490041 0.36792 0.933479
+612 3 0.575326 0.284866 0.914597
+615 3 0.567657 0.329245 0.804266
+616 3 0.503335 0.363723 0.987847
+618 1 0.429565 0.253353 0.857661
+620 2 0.428838 0.42099 0.886001
+622 2 0.484561 0.28226 0.879012
+624 2 0.384577 0.296873 0.884104
+626 2 0.373323 0.458584 0.840468
+628 2 0.479503 0.456414 0.839318
+630 2 0.429987 0.33389 0.83726
+632 1 0.376814 0.374089 0.864274
+634 3 0.467125 0.413844 0.889813
+636 3 0.500711 0.329753 0.878779
+638 1 0.53654 0.496765 0.858504
+640 3 0.368314 0.290649 0.902646
+642 3 0.337785 0.478213 0.845124
+644 3 0.466566 0.406459 0.836856
+646 3 0.435527 0.337366 0.816249
+648 2 0.318565 0.409992 0.881459
+650 2 0.321296 0.338083 0.839606
+652 2 0.594551 0.288655 0.881588
+654 2 0.538337 0.4012 0.882785
+656 2 0.545649 0.324505 0.837032
+658 2 0.585061 0.452453 0.835704
+660 3 0.3113 0.413388 0.90365
+662 1 0.592684 0.370852 0.857749
+664 3 0.329138 0.341947 0.819606
+666 3 0.288052 0.249321 0.880982
+668 3 0.537741 0.401356 0.903531
+670 3 0.512602 0.320503 0.826584
+672 3 0.596026 0.45153 0.814828
+674 1 0.346315 0.632996 0.957135
+676 2 0.344736 0.55058 0.931894
+678 2 0.28192 0.673219 0.936891
+680 2 0.394678 0.673062 0.934537
+682 2 0.395697 0.582812 0.977779
+684 2 0.288214 0.592106 0.978329
+686 2 0.347715 0.704738 0.981614
+688 1 0.399235 0.50183 0.955462
+690 3 0.306696 0.53732 0.92836
+692 3 0.270785 0.722154 0.933872
+694 1 0.566519 0.616544 0.961865
+696 3 0.406012 0.675731 0.913952
+698 3 0.430758 0.603443 0.977903
+700 3 0.28996 0.542181 0.974513
+701 3 0.39089 0.713712 0.800995
+704 2 0.45862 0.53256 0.934518
+706 2 0.453847 0.711671 0.981149
+708 2 0.514107 0.661536 0.938067
+710 2 0.566211 0.53195 0.939071
+712 2 0.560278 0.695852 0.984184
+714 2 0.511513 0.573236 0.981621
+716 3 0.462161 0.537895 0.91284
+718 1 0.517331 0.745292 0.959288
+719 3 0.499099 0.712795 0.80147
+722 3 0.482024 0.633253 0.936123
+724 3 0.576917 0.527777 0.918781
+726 3 0.580774 0.729851 0.996458
+727 3 0.554427 0.574661 0.802235
+730 1 0.427788 0.504955 0.857412
+732 2 0.425734 0.674664 0.880541
+734 2 0.483496 0.538847 0.880504
+736 2 0.381705 0.550848 0.880144
+738 2 0.36864 0.711961 0.838571
+740 2 0.47782 0.71426 0.835116
+742 2 0.428077 0.585378 0.835564
+744 1 0.369473 0.625576 0.861987
+746 3 0.463277 0.665225 0.887167
+748 3 0.50078 0.587673 0.880631
+750 1 0.536643 0.739211 0.85915
+752 3 0.375158 0.538304 0.90077
+754 3 0.333381 0.736724 0.836499
+756 3 0.459331 0.669214 0.836716
+758 3 0.428507 0.59146 0.813395
+760 2 0.315927 0.653606 0.884013
+762 2 0.31933 0.588117 0.838077
+764 2 0.58789 0.530369 0.881905
+766 2 0.539909 0.65957 0.883788
+768 2 0.53883 0.573725 0.83755
+770 2 0.585712 0.696074 0.835419
+772 3 0.310494 0.658953 0.904541
+774 1 0.592835 0.614842 0.857783
+776 3 0.323134 0.590089 0.815917
+778 3 0.290001 0.500034 0.880824
+780 3 0.539231 0.662997 0.905574
+782 3 0.501125 0.586364 0.831893
+784 3 0.596272 0.695777 0.814085
+786 1 0.349828 0.873732 0.95976
+788 2 0.345539 0.800209 0.936236
+790 2 0.287126 0.916766 0.93695
+792 2 0.3898 0.923801 0.935725
+794 2 0.39995 0.832473 0.979344
+796 2 0.288077 0.834743 0.980701
+798 2 0.339043 0.954617 0.982234
+800 1 0.404887 0.754405 0.95683
+802 3 0.306181 0.799455 0.929462
+804 3 0.299727 0.964318 0.939391
+806 1 0.565128 0.876702 0.963522
+808 3 0.398143 0.931871 0.915962
+810 3 0.413331 0.834894 0.999642
+812 3 0.286661 0.784315 0.978717
+813 3 0.388505 0.955946 0.805945
+816 2 0.461287 0.783746 0.935678
+818 2 0.443813 0.964133 0.982238
+820 2 0.508152 0.904939 0.939987
+822 2 0.570278 0.79086 0.937312
+824 2 0.550881 0.952805 0.983859
+826 2 0.520237 0.823628 0.983631
+828 3 0.461738 0.78793 0.914203
+830 1 0.504194 0.997914 0.959544
+831 3 0.494525 0.960041 0.804256
+832 3 0.45101 0.916089 0.977382
+834 3 0.482243 0.868682 0.935737
+836 3 0.575112 0.803198 0.917411
+839 3 0.554503 0.82332 0.801799
+842 1 0.424585 0.753743 0.858414
+844 2 0.42507 0.930785 0.882749
+846 2 0.486506 0.784664 0.879725
+848 2 0.381374 0.800643 0.882983
+850 2 0.368807 0.958788 0.836017
+852 2 0.475801 0.960997 0.835599
+854 2 0.425174 0.839192 0.837162
+856 1 0.371968 0.879939 0.861114
+858 3 0.45988 0.910558 0.886235
+860 3 0.508645 0.827511 0.884877
+862 1 0.539559 0.984716 0.862487
+864 3 0.363724 0.797127 0.902608
+866 3 0.332087 0.973297 0.840444
+868 3 0.464513 0.911792 0.836326
+870 3 0.435563 0.838935 0.816135
+872 2 0.318281 0.914562 0.882229
+874 2 0.318625 0.839063 0.835943
+876 2 0.590665 0.783368 0.88228
+878 2 0.537529 0.906192 0.884222
+880 2 0.542834 0.824176 0.837008
+882 2 0.589415 0.945096 0.839325
+884 3 0.311811 0.903764 0.902617
+886 1 0.592801 0.861905 0.859993
+888 3 0.324668 0.847426 0.814565
+890 3 0.294742 0.754405 0.8849
+892 3 0.534518 0.911272 0.905301
+894 3 0.505549 0.840594 0.836438
+896 3 0.591649 0.950563 0.818079
+898 1 0.669589 0.12998 0.95607
+900 2 0.684356 0.0517795 0.936373
+902 2 0.612371 0.169174 0.937004
+904 2 0.722034 0.176618 0.935707
+906 2 0.730508 0.0902695 0.980842
+908 2 0.621177 0.0835952 0.977196
+910 2 0.662012 0.212497 0.984631
+912 1 0.733746 0.00877092 0.96015
+914 3 0.660924 0.0115798 0.931031
+916 3 0.595796 0.215959 0.9394
+918 1 0.905836 0.116616 0.964601
+920 3 0.736731 0.168336 0.916356
+922 3 0.75808 0.12768 0.98044
+923 3 0.663556 0.107113 0.805115
+924 3 0.627979 0.0335932 0.980104
+925 3 0.73145 0.219866 0.804102
+926 3 0.625868 0.197085 0.988547
+928 2 0.7935 0.0407316 0.938509
+930 2 0.7843 0.210264 0.979996
+932 2 0.847044 0.157295 0.938436
+934 2 0.900316 0.0393353 0.939769
+936 2 0.894369 0.203812 0.981616
+938 2 0.850913 0.0814807 0.985061
+940 3 0.801404 0.0364291 0.916837
+942 1 0.843245 0.24025 0.957276
+943 3 0.829239 0.212111 0.802255
+944 3 0.788892 0.185711 0.998851
+946 3 0.816962 0.124333 0.940777
+948 3 0.904356 0.042171 0.919061
+950 3 0.909879 0.23713 0.996471
+951 3 0.892607 0.0587238 0.802933
+954 1 0.760143 0.00923005 0.861
+956 2 0.756674 0.171431 0.883511
+958 2 0.822374 0.0334213 0.885571
+960 2 0.716177 0.0495687 0.884447
+962 2 0.699292 0.212841 0.843995
+964 2 0.808582 0.209273 0.835482
+966 2 0.760973 0.0894374 0.837005
+968 1 0.703529 0.132029 0.862221
+970 3 0.793543 0.15931 0.88418
+972 3 0.82949 0.0839872 0.890599
+974 1 0.865185 0.241343 0.855353
+976 3 0.703781 0.05743 0.90405
+978 3 0.659746 0.220973 0.841774
+980 3 0.788663 0.165415 0.833206
+982 3 0.761786 0.0816989 0.815059
+984 2 0.64677 0.154591 0.885213
+986 2 0.656312 0.0875453 0.838955
+988 2 0.92865 0.0424775 0.881605
+990 2 0.872504 0.164449 0.882581
+992 2 0.874439 0.0747308 0.83801
+994 2 0.919902 0.19563 0.836245
+996 3 0.640351 0.163893 0.90593
+998 1 0.924827 0.120743 0.856964
+1000 3 0.66299 0.0382993 0.839083
+1002 3 0.631557 0.00169222 0.884304
+1004 3 0.86752 0.163457 0.904297
+1006 3 0.842491 0.0971021 0.829806
+1008 3 0.933025 0.203396 0.815521
+1010 1 0.677653 0.378907 0.958852
+1012 2 0.679735 0.2987 0.935055
+1014 2 0.622817 0.41471 0.937408
+1016 2 0.721142 0.430403 0.935443
+1018 2 0.735579 0.333511 0.976533
+1020 2 0.623011 0.336958 0.979689
+1022 2 0.681193 0.453942 0.98634
+1024 1 0.732994 0.257618 0.953928
+1026 3 0.648481 0.303263 0.922866
+1028 3 0.606303 0.456683 0.944786
+1030 1 0.898241 0.366276 0.96141
+1032 3 0.735614 0.433384 0.915404
+1034 3 0.760747 0.37349 0.978683
+1036 3 0.633788 0.285947 0.983429
+1037 3 0.721665 0.459579 0.806251
+1040 2 0.789943 0.282435 0.932912
+1042 2 0.786668 0.472546 0.983519
+1044 2 0.843945 0.418409 0.938709
+1046 2 0.896073 0.2887 0.937544
+1048 2 0.893402 0.45201 0.981671
+1050 2 0.846468 0.323154 0.98324
+1052 3 0.794814 0.291259 0.911933
+1054 1 0.84511 0.494997 0.95891
+1055 3 0.835371 0.467461 0.806855
+1058 3 0.808736 0.393804 0.936753
+1060 3 0.89692 0.286298 0.915315
+1062 3 0.931495 0.45543 0.989336
+1063 3 0.899592 0.332435 0.802956
+1064 3 0.825708 0.346659 0.997755
+1066 1 0.756471 0.260676 0.85846
+1068 2 0.759838 0.428314 0.885028
+1070 2 0.819185 0.289757 0.878982
+1072 2 0.711009 0.305454 0.881884
+1074 2 0.707443 0.462596 0.840368
+1076 2 0.816475 0.462758 0.83745
+1078 2 0.759816 0.334279 0.836175
+1080 1 0.706127 0.386667 0.863605
+1082 3 0.799013 0.413605 0.885746
+1084 3 0.835362 0.33641 0.879057
+1086 1 0.877095 0.497522 0.859811
+1088 3 0.700871 0.299335 0.903091
+1090 3 0.676003 0.493211 0.837714
+1092 3 0.809443 0.414949 0.831024
+1094 3 0.773074 0.336929 0.815896
+1096 2 0.645045 0.409166 0.884877
+1098 2 0.647107 0.34267 0.836789
+1100 2 0.925515 0.286408 0.882236
+1102 2 0.869913 0.410423 0.88372
+1104 2 0.872696 0.324037 0.834182
+1106 2 0.923663 0.44845 0.838441
+1108 3 0.643876 0.420322 0.906547
+1110 1 0.931816 0.370889 0.858397
+1112 3 0.661273 0.343461 0.817557
+1114 3 0.629442 0.266643 0.885567
+1116 3 0.86193 0.408732 0.905263
+1118 3 0.847177 0.329239 0.817983
+1120 3 0.930493 0.449898 0.817182
+1122 1 0.673854 0.634187 0.958328
+1124 2 0.685133 0.550178 0.936635
+1126 2 0.615849 0.66285 0.938122
+1128 2 0.724241 0.67686 0.932386
+1130 2 0.739677 0.59464 0.977116
+1132 2 0.623628 0.58461 0.983384
+1134 2 0.678823 0.710833 0.977743
+1136 1 0.733697 0.50942 0.960477
+1138 3 0.661122 0.551057 0.918914
+1140 3 0.597061 0.708774 0.934938
+1142 1 0.906066 0.618888 0.960138
+1144 3 0.733704 0.678037 0.912219
+1146 3 0.769877 0.623715 0.969654
+1148 3 0.621812 0.535409 0.988256
+1149 3 0.732714 0.709635 0.803892
+1150 3 0.650449 0.724055 0.99043
+1152 2 0.793519 0.535741 0.93532
+1154 2 0.789761 0.711411 0.978588
+1156 2 0.846707 0.661173 0.93557
+1158 2 0.904336 0.538651 0.937795
+1160 2 0.900648 0.703075 0.978948
+1162 2 0.853822 0.577453 0.982323
+1164 3 0.802201 0.526519 0.914366
+1166 1 0.84826 0.743834 0.955933
+1167 3 0.842063 0.719826 0.804589
+1168 3 0.77284 0.696858 0.996996
+1170 3 0.820722 0.623583 0.936267
+1172 3 0.911016 0.543825 0.916618
+1174 3 0.891408 0.702386 0.999721
+1175 3 0.899067 0.57701 0.801518
+1178 1 0.76365 0.510018 0.860414
+1180 2 0.762609 0.672868 0.881358
+1182 2 0.82048 0.539817 0.880867
+1184 2 0.714078 0.550175 0.883869
+1186 2 0.711153 0.711228 0.838938
+1188 2 0.817816 0.710747 0.83902
+1190 2 0.758894 0.581993 0.835942
+1192 1 0.704428 0.62826 0.860671
+1194 3 0.794289 0.660045 0.893054
+1196 3 0.826669 0.583678 0.889752
+1198 1 0.877519 0.74138 0.858217
+1200 3 0.713408 0.548047 0.905167
+1202 3 0.680383 0.742185 0.839977
+1204 3 0.811425 0.662288 0.841263
+1206 3 0.759615 0.591385 0.814821
+1208 2 0.648087 0.659252 0.881353
+1210 2 0.652422 0.58903 0.838058
+1212 2 0.93369 0.540887 0.885463
+1214 2 0.877323 0.663672 0.883065
+1216 2 0.875658 0.568552 0.834758
+1218 2 0.924329 0.694357 0.835965
+1220 3 0.641513 0.669977 0.901821
+1222 1 0.932932 0.620074 0.861515
+1224 3 0.657203 0.583443 0.816111
+1226 3 0.615169 0.493708 0.884329
+1228 3 0.868697 0.672152 0.9035
+1230 3 0.841953 0.572708 0.824285
+1232 3 0.931779 0.689013 0.814691
+1234 1 0.678533 0.88293 0.960272
+1236 2 0.679349 0.805266 0.938088
+1238 2 0.619504 0.925717 0.939064
+1240 2 0.72961 0.930695 0.938725
+1242 2 0.733914 0.835002 0.981992
+1244 2 0.627982 0.852967 0.983838
+1246 2 0.681361 0.969861 0.983442
+1248 1 0.733838 0.759626 0.95594
+1250 3 0.643118 0.78892 0.933827
+1252 3 0.603376 0.971971 0.935896
+1254 1 0.89419 0.876789 0.963696
+1256 3 0.740286 0.93632 0.918169
+1261 3 0.716461 0.968305 0.803252
+1264 2 0.79496 0.788287 0.933783
+1266 2 0.787124 0.971523 0.983932
+1268 2 0.847486 0.9187 0.940648
+1270 2 0.902529 0.786125 0.93687
+1272 2 0.88904 0.959232 0.986649
+1274 2 0.84193 0.823169 0.983878
+1276 3 0.793281 0.78998 0.913017
+1278 1 0.842093 0.0034022 0.962251
+1279 3 0.831193 0.956913 0.806633
+1282 3 0.810448 0.900188 0.938583
+1284 3 0.907139 0.793783 0.915571
+1287 3 0.898125 0.825847 0.803358
+1288 3 0.804416 0.837768 0.983529
+1290 1 0.76689 0.754037 0.86098
+1292 2 0.75938 0.927677 0.882503
+1294 2 0.827557 0.790427 0.880077
+1296 2 0.718226 0.795601 0.887348
+1298 2 0.701455 0.955386 0.839454
+1300 2 0.814869 0.960523 0.838934
+1302 2 0.761641 0.836576 0.840701
+1304 1 0.708858 0.875554 0.866913
+1306 3 0.796887 0.919694 0.887491
+1308 3 0.844565 0.838734 0.880926
+1310 1 0.873786 0.992483 0.861739
+1312 3 0.706428 0.800557 0.908354
+1314 3 0.666038 0.942019 0.832726
+1316 3 0.799455 0.915137 0.838961
+1318 3 0.763017 0.841578 0.819573
+1320 2 0.644006 0.89886 0.885853
+1322 2 0.653234 0.837042 0.839123
+1324 2 0.934855 0.785234 0.878388
+1326 2 0.870752 0.908541 0.884214
+1328 2 0.877418 0.818028 0.835157
+1330 2 0.91889 0.942427 0.837686
+1332 3 0.63229 0.909714 0.906244
+1334 1 0.931414 0.866284 0.858676
+1336 3 0.666047 0.839288 0.819361
+1338 3 0.62467 0.757507 0.883615
+1340 3 0.87662 0.915314 0.905564
+1342 3 0.842208 0.831773 0.829485
+1344 3 0.926201 0.941042 0.817004
+ITEM: TIMESTEP
+500
+ITEM: NUMBER OF ATOMS
+2898
+ITEM: BOX BOUNDS
+0 26.052
+0 20.312
+0 48.3627
+ITEM: ATOMS
+26 3 0.0668947 0.0778328 0.00305767
+54 3 0.237682 0.222488 0.00156529
+142 3 0.0141313 0.481753 0.000135456
+160 3 0.134067 0.459316 0.00209893
+252 3 0.966552 0.571291 0.00164944
+272 3 0.129078 0.730837 0.00338104
+278 3 0.220836 0.713908 0.00353073
+362 3 0.0488149 0.826148 0.00246572
+366 3 0.0066151 0.962157 0.00279116
+502 3 0.553597 0.204063 0.00446617
+590 3 0.342704 0.463786 0.000237062
+608 3 0.456711 0.460975 0.00258988
+614 3 0.574184 0.453455 0.00451326
+702 3 0.344823 0.710904 0.00297
+720 3 0.449594 0.715616 0.00228402
+728 3 0.507163 0.585726 0.0016832
+814 3 0.339679 0.942299 0.0024466
+838 3 0.559786 0.980389 0.00189683
+840 3 0.497928 0.823916 0.0006423
+952 3 0.834561 0.107157 0.00140155
+1038 3 0.660409 0.457384 0.00419642
+1056 3 0.786545 0.47769 0.00486339
+1176 3 0.834784 0.584434 0.00128581
+1258 3 0.73759 0.848543 0.00224086
+1260 3 0.627263 0.821132 0.000768986
+1262 3 0.670358 0.958426 0.00373779
+1280 3 0.771469 0.945581 0.000364161
+1286 3 0.908585 0.962152 0.00438849
+1345 4 0.0525156 0.585469 0.178748
+1346 5 0.0171846 0.602521 0.169775
+1347 5 0.0797001 0.611974 0.168496
+1348 4 0.296347 0.986426 0.0526802
+1349 5 0.308883 0.93995 0.0491805
+1350 5 0.30756 0.0019269 0.0720762
+1360 4 0.075202 0.756472 0.181965
+1361 5 0.0902027 0.71336 0.174412
+1362 5 0.0455717 0.749684 0.195818
+1369 4 0.643052 0.966998 0.153817
+1370 5 0.638385 0.947886 0.173224
+1371 5 0.673579 0.94437 0.145947
+1381 4 0.921315 0.626483 0.0886595
+1382 5 0.958213 0.6123 0.0825049
+1383 5 0.907858 0.661663 0.0749217
+1384 4 0.915032 0.014207 0.0565412
+1385 5 0.951349 0.0100027 0.0500874
+1386 5 0.910518 0.968103 0.0628146
+1408 4 0.262928 0.536787 0.0820532
+1409 5 0.252246 0.489119 0.0850995
+1410 5 0.258449 0.5492 0.0619325
+1411 4 0.815292 0.590735 0.045669
+1412 5 0.783704 0.619746 0.0482931
+1413 5 0.807643 0.550267 0.0557331
+1417 4 0.180944 0.986339 0.0379144
+1418 5 0.157436 0.0159167 0.0281956
+1419 5 0.211113 0.990525 0.0240194
+1429 4 0.865233 0.455056 0.0373051
+1430 5 0.896853 0.479447 0.0435024
+1431 5 0.872415 0.457103 0.0171003
+1450 4 0.452537 0.807842 0.159338
+1451 5 0.438919 0.827687 0.142188
+1452 5 0.491359 0.808628 0.158872
+1453 4 0.470834 0.44038 0.167708
+1454 5 0.499849 0.408708 0.163171
+1455 5 0.481051 0.458787 0.186641
+1465 4 0.472938 0.459403 0.0375541
+1466 5 0.490889 0.45206 0.0558245
+1467 5 0.475806 0.510209 0.035508
+1468 4 0.084185 0.0969577 0.0447508
+1469 5 0.116785 0.12332 0.0406471
+1470 5 0.0567521 0.131418 0.0503662
+1477 4 0.22872 0.100658 0.111276
+1478 5 0.20952 0.0568125 0.110478
+1479 5 0.263981 0.0891364 0.104244
+1480 4 0.916489 0.472427 0.113832
+1481 5 0.955405 0.473163 0.117594
+1482 5 0.915197 0.465693 0.0924423
+1492 4 0.395312 0.907373 0.183385
+1493 5 0.413635 0.867664 0.17444
+1494 5 0.42016 0.933911 0.194818
+1498 4 0.165246 0.750282 0.0327686
+1499 5 0.184862 0.794067 0.0325875
+1500 5 0.154167 0.752819 0.0528947
+1519 4 0.0807142 0.0453458 0.146488
+1520 5 0.049347 0.0392615 0.158056
+1521 5 0.110864 0.031144 0.15811
+1522 4 0.794009 0.65122 0.185941
+1523 5 0.816611 0.613444 0.189691
+1524 5 0.758946 0.630903 0.191306
+1531 4 0.241157 0.805124 0.0798516
+1532 5 0.24944 0.825993 0.0620439
+1533 5 0.246543 0.75517 0.0777605
+1537 4 0.605802 0.69402 0.124052
+1538 5 0.582546 0.731699 0.127522
+1539 5 0.580953 0.654675 0.128023
+1549 4 0.681629 0.812306 0.122794
+1550 5 0.689317 0.841869 0.140016
+1551 5 0.670655 0.764784 0.127021
+1552 4 0.726434 0.894508 0.158311
+1553 5 0.736784 0.852282 0.168734
+1554 5 0.740408 0.932604 0.169672
+1558 4 0.577458 0.230045 0.124954
+1559 5 0.567261 0.186516 0.133702
+1560 5 0.601342 0.221171 0.108434
+1561 4 0.0409696 0.321314 0.0368469
+1562 5 0.0425533 0.315502 0.0166193
+1563 5 0.0450438 0.275472 0.0448872
+1568 5 0.420623 0.776836 0.196782
+1573 4 0.304312 0.304424 0.108533
+1574 5 0.332872 0.334244 0.0992027
+1575 5 0.303789 0.263309 0.0978248
+1576 4 0.579067 0.924874 0.112486
+1577 5 0.598747 0.942629 0.129305
+1578 5 0.59765 0.944982 0.0954411
+1582 4 0.897195 0.884607 0.0802719
+1583 5 0.880655 0.858918 0.0638304
+1584 5 0.867568 0.884841 0.0937828
+1591 4 0.86705 0.802901 0.19115
+1592 5 0.886092 0.841421 0.181468
+1593 5 0.870574 0.766667 0.17668
+1597 4 0.341592 0.0180105 0.158161
+1598 5 0.375937 0.0437206 0.156861
+1599 5 0.356818 0.982366 0.171472
+1600 4 0.121976 0.215448 0.184717
+1601 5 0.156141 0.199987 0.175227
+1602 5 0.0967719 0.225185 0.169207
+1603 4 0.404958 0.120663 0.109221
+1604 5 0.422287 0.150711 0.122276
+1605 5 0.432453 0.0957071 0.0993668
+1615 4 0.557898 0.800394 0.149685
+1616 5 0.567628 0.810397 0.169851
+1617 5 0.566421 0.839531 0.138704
+1621 4 0.324907 0.0451273 0.100629
+1622 5 0.351851 0.0837999 0.102736
+1623 5 0.329183 0.0191107 0.118424
+1624 4 0.897743 0.6885 0.0412584
+1625 5 0.865003 0.662138 0.0412377
+1626 5 0.885152 0.734809 0.0452045
+1633 4 0.0063718 0.992132 0.0391553
+1634 5 0.0287272 0.951472 0.0427182
+1635 5 0.0269011 0.0335441 0.0440227
+1639 4 0.971578 0.412954 0.0656125
+1640 5 0.99192 0.380564 0.0548643
+1641 5 0.974812 0.392826 0.0846486
+1648 4 0.976492 0.868358 0.114533
+1649 5 0.00374852 0.901016 0.107161
+1650 5 0.949596 0.861972 0.0992291
+1651 4 0.193541 0.97569 0.0973461
+1652 5 0.193437 0.975867 0.0764297
+1653 5 0.167447 0.94216 0.104614
+1663 4 0.350324 0.698966 0.0566203
+1664 5 0.320604 0.688151 0.0710923
+1665 5 0.357741 0.652301 0.0505569
+1673 4 0.614225 0.476924 0.0385546
+1674 5 0.621116 0.455586 0.0574797
+1675 5 0.261743 0.740545 0.195731
+1676 5 0.628441 0.524864 0.0403466
+1677 5 0.318819 0.760503 0.183575
+1678 4 0.411661 0.732594 0.097296
+1679 5 0.446965 0.752514 0.0931998
+1680 5 0.395141 0.7184 0.0793754
+1684 4 0.978128 0.769096 0.151472
+1685 5 0.984597 0.792028 0.133245
+1686 5 0.0122465 0.773042 0.162693
+1720 4 0.866435 0.546165 0.175686
+1721 5 0.843482 0.512576 0.185048
+1722 5 0.901039 0.544947 0.185367
+1729 4 0.632052 0.258824 0.0779117
+1730 5 0.657426 0.23332 0.0652028
+1731 5 0.622813 0.299133 0.0665932
+1735 4 0.9428 0.244643 0.0264425
+1736 5 0.970004 0.266924 0.036496
+1737 5 0.938026 0.201279 0.0368025
+1741 4 0.365469 0.569188 0.0331135
+1742 5 0.37325 0.57336 0.0127513
+1743 5 0.333504 0.542507 0.0335598
+1744 4 0.712425 0.0791096 0.138309
+1745 5 0.735067 0.0376354 0.138496
+1746 5 0.686184 0.0757303 0.152949
+1765 4 0.151296 0.837261 0.119896
+1766 5 0.182234 0.83394 0.107532
+1767 5 0.12826 0.798269 0.119614
+1768 4 0.687504 0.303967 0.13632
+1769 5 0.708421 0.332502 0.12249
+1770 5 0.664382 0.271393 0.126378
+1771 4 0.647592 0.123228 0.0995481
+1772 5 0.675015 0.102451 0.112245
+1773 5 0.665586 0.151906 0.0863923
+1810 4 0.279915 0.931878 0.133436
+1811 5 0.254895 0.960265 0.12279
+1812 5 0.297489 0.962548 0.14779
+1816 4 0.855926 0.0728787 0.198555
+1817 5 0.843653 0.0992771 0.181826
+1822 4 0.540623 0.111218 0.149634
+1823 5 0.505592 0.135894 0.150635
+1824 5 0.53659 0.0771538 0.134177
+1831 4 0.0754039 0.72106 0.113961
+1832 5 0.0742752 0.75694 0.100818
+1833 5 0.0592073 0.681758 0.103727
+1837 4 0.944496 0.140215 0.0638734
+1838 5 0.930359 0.0970821 0.0576632
+1839 5 0.929252 0.144567 0.0835525
+1850 4 0.0633357 0.790841 0.062117
+1851 5 0.0293656 0.785808 0.0527048
+1853 5 0.0747693 0.837605 0.0578012
+1855 4 0.379571 0.37956 0.0852464
+1856 5 0.396864 0.417376 0.0955151
+1857 5 0.391707 0.380234 0.0648069
+1867 4 0.390347 0.298711 0.172409
+1868 5 0.385861 0.347859 0.172221
+1869 5 0.39698 0.283339 0.192531
+1895 5 0.118215 0.310262 0.191569
+1897 4 0.818058 0.865025 0.117245
+1898 5 0.824134 0.816965 0.122296
+1899 5 0.783199 0.878451 0.124974
+1907 5 0.637329 0.695485 0.195912
+1909 4 0.471329 0.600872 0.0440001
+1910 5 0.474761 0.647327 0.0495172
+1911 5 0.434362 0.589068 0.044015
+1912 4 0.107749 0.46541 0.162874
+1913 5 0.0838784 0.503114 0.166568
+1914 5 0.11305 0.438324 0.181172
+1915 4 0.0873912 0.937945 0.11141
+1916 5 0.0872968 0.978743 0.124474
+1917 5 0.104999 0.898352 0.120977
+1918 4 0.279894 0.115326 0.0373766
+1919 5 0.281728 0.066626 0.0442203
+1920 5 0.28175 0.116227 0.0156724
+1924 4 0.858645 0.38255 0.148444
+1925 5 0.886669 0.40962 0.139095
+1926 5 0.853101 0.350928 0.132587
+1933 4 0.548348 0.595866 0.130508
+1934 5 0.509697 0.609469 0.132884
+1935 5 0.548427 0.551657 0.140048
+1937 5 0.907862 0.939777 0.187972
+1945 4 0.600344 0.464198 0.147273
+1946 5 0.612116 0.458497 0.167511
+1947 5 0.579285 0.420934 0.145148
+1954 4 0.417452 0.484987 0.121478
+1955 5 0.435887 0.522076 0.112911
+1956 5 0.436455 0.469826 0.138659
+1969 4 0.678163 0.191121 0.0362159
+1970 5 0.679366 0.200103 0.0148701
+1971 5 0.691415 0.143268 0.0390283
+1972 4 0.763671 0.805373 0.190317
+1973 5 0.756195 0.759357 0.185607
+1974 5 0.802686 0.808012 0.19168
+1990 4 0.166667 0.201455 0.0877827
+1991 5 0.164084 0.192655 0.0667355
+1992 5 0.198276 0.171967 0.0909288
+1999 4 0.454936 0.178186 0.158812
+2000 5 0.439221 0.152122 0.17477
+2001 5 0.451168 0.223944 0.164093
+2002 4 0.42819 0.938756 0.0920244
+2003 5 0.399132 0.916485 0.101861
+2004 5 0.409339 0.949646 0.0745769
+2026 4 0.425061 0.217273 0.055335
+2027 5 0.445047 0.234849 0.0724267
+2028 5 0.426395 0.259394 0.0438724
+2029 4 0.318275 0.516897 0.128463
+2030 5 0.302023 0.53418 0.110093
+2031 5 0.355662 0.505356 0.12359
+2032 4 0.671532 0.66454 0.167902
+2033 5 0.656181 0.679478 0.149435
+2034 5 0.660247 0.614401 0.167398
+2038 4 0.8097 0.73394 0.12911
+2039 5 0.789031 0.698571 0.120451
+2040 5 0.825482 0.703258 0.143282
+2041 4 0.0053247 0.0161989 0.185711
+2043 5 0.974858 0.98467 0.189188
+2044 4 0.905931 0.902865 0.158478
+2045 5 0.875638 0.905578 0.145217
+2046 5 0.938247 0.884771 0.148045
+2050 4 0.525035 0.245611 0.0331766
+2051 5 0.552022 0.283017 0.0321649
+2052 5 0.495852 0.254303 0.0187485
+2062 4 0.628598 0.422436 0.0871233
+2063 5 0.661066 0.394746 0.0868464
+2064 5 0.624423 0.431953 0.107358
+2065 4 0.667866 0.560767 0.12236
+2066 5 0.641339 0.592522 0.115968
+2067 5 0.648042 0.521725 0.128548
+2068 4 0.583236 0.681814 0.0674945
+2069 5 0.606614 0.651472 0.0562231
+2070 5 0.600236 0.688981 0.0861691
+2080 4 0.748619 0.896839 0.0346682
+2081 5 0.767582 0.928876 0.0469476
+2082 5 0.722443 0.880219 0.0479166
+2083 4 0.533445 0.135006 0.0622064
+2086 5 0.520438 0.140796 0.0814553
+2088 5 0.528457 0.176988 0.0518458
+2092 4 0.376078 0.42928 0.190837
+2093 5 0.409892 0.439148 0.180554
+2104 4 0.0189459 0.461284 0.124017
+2105 5 0.056666 0.455428 0.129143
+2106 5 0.000629032 0.419481 0.131173
+2110 4 0.501255 0.0395946 0.104435
+2111 5 0.476227 0.999247 0.105542
+2112 5 0.517431 0.0407125 0.0856411
+2115 5 0.00995052 0.52297 0.193677
+2116 4 0.199215 0.75134 0.182398
+2117 5 0.186843 0.721982 0.166774
+2118 5 0.185135 0.796169 0.178867
+2134 4 0.734507 0.650344 0.0575256
+2135 5 0.741812 0.702204 0.0619656
+2136 5 0.734176 0.634835 0.0785733
+2140 4 0.160917 0.980499 0.173553
+2141 5 0.150149 0.93715 0.182721
+2142 5 0.188374 0.000694639 0.186567
+2143 4 0.966605 0.633305 0.155367
+2144 5 0.958679 0.624107 0.13524
+2145 5 0.960173 0.681881 0.157919
+2149 4 0.556593 0.343688 0.154722
+2150 5 0.556703 0.327455 0.174416
+2151 5 0.564023 0.300145 0.144289
+2162 5 0.856555 0.385341 0.181268
+2170 4 0.291338 0.2689 0.162803
+2171 5 0.329342 0.259228 0.166227
+2172 5 0.292284 0.288645 0.142981
+2177 5 0.247413 0.309844 0.189891
+2178 5 0.24216 0.389272 0.195356
+2182 4 0.440478 0.987412 0.0379936
+2183 5 0.446291 0.977719 0.0174722
+2184 5 0.419835 0.0293229 0.0388114
+2188 4 0.592496 0.337754 0.0301255
+2189 5 0.602946 0.34491 0.0104704
+2190 5 0.589021 0.384436 0.0385414
+2197 4 0.756203 0.765519 0.0720128
+2198 5 0.730011 0.801667 0.0764905
+2199 5 0.777886 0.764073 0.0897945
+2215 4 0.669189 0.27992 0.187678
+2216 5 0.674039 0.289199 0.166194
+2217 5 0.632168 0.268075 0.190459
+2224 4 0.984842 0.76025 0.0313584
+2225 5 0.962938 0.722048 0.0387451
+2226 5 0.997151 0.740515 0.0131768
+2230 4 0.121116 0.661007 0.155198
+2231 5 0.104966 0.682909 0.137649
+2232 5 0.145467 0.631113 0.145439
+2239 4 0.761379 0.204485 0.181706
+2240 5 0.788789 0.228977 0.192424
+2241 5 0.727451 0.227505 0.182882
+2275 4 0.422269 0.343415 0.0323787
+2276 5 0.407838 0.33558 0.0131131
+2277 5 0.442637 0.387283 0.0333412
+2287 4 0.864697 0.287391 0.109005
+2288 5 0.885412 0.247024 0.109785
+2289 5 0.84418 0.280628 0.0913255
+2314 4 0.796418 0.459374 0.0770469
+2315 5 0.819365 0.458962 0.0938256
+2316 5 0.818649 0.449851 0.0604055
+2341 4 0.721496 0.369875 0.0884981
+2342 5 0.728947 0.337689 0.0725566
+2343 5 0.748833 0.408038 0.0850402
+2344 4 0.292701 0.437982 0.03048
+2345 5 0.318741 0.406448 0.0347321
+2346 5 0.261311 0.423489 0.0412214
+2371 4 0.352682 0.866024 0.109889
+2372 5 0.324314 0.887441 0.120718
+2373 5 0.331826 0.851582 0.0936679
+2377 4 0.900881 0.144635 0.117294
+2378 5 0.923294 0.130281 0.132586
+2379 5 0.867392 0.126433 0.124826
+2380 4 0.0449806 0.597378 0.0922524
+2381 5 0.0370744 0.559847 0.104521
+2382 5 0.0774135 0.583175 0.0820846
+2389 4 0.4949 0.850601 0.102573
+2390 5 0.527933 0.874027 0.107939
+2391 5 0.46668 0.887493 0.0973824
+2395 4 0.622268 0.0878008 0.180109
+2396 5 0.588939 0.1063 0.169267
+2397 5 0.624188 0.0410521 0.17169
+2401 4 0.389917 0.0976222 0.0340582
+2402 5 0.353674 0.108282 0.0387441
+2403 5 0.407512 0.137144 0.0419458
+2410 4 0.811645 0.123983 0.14895
+2411 5 0.774037 0.115065 0.144111
+2412 5 0.805943 0.163545 0.161371
+2416 4 0.0794059 0.540423 0.0349676
+2417 5 0.107882 0.569904 0.0444661
+2418 5 0.0820156 0.547648 0.0144894
+2455 4 0.832833 0.578848 0.126587
+2456 5 0.85129 0.560759 0.143432
+2457 5 0.863524 0.583961 0.114089
+2467 4 0.636502 0.988309 0.0730622
+2468 5 0.647934 0.0302386 0.08099
+2469 5 0.612354 0.999068 0.0574531
+2476 4 0.495575 0.757177 0.063142
+2477 5 0.524738 0.725886 0.0621802
+2478 5 0.510657 0.792192 0.0766908
+2488 4 0.515196 0.430725 0.0854653
+2489 5 0.552937 0.426349 0.0885335
+2490 5 0.500731 0.411857 0.102936
+2500 4 0.073447 0.145096 0.114797
+2501 5 0.0850483 0.105433 0.125707
+2502 5 0.105109 0.146879 0.102028
+2506 4 0.63134 0.768401 0.026186
+2507 5 0.616146 0.734615 0.0391598
+2508 5 0.653427 0.802768 0.0356341
+2530 4 0.20318 0.316708 0.108179
+2531 5 0.189429 0.270905 0.104654
+2532 5 0.243016 0.316793 0.110981
+2545 4 0.273565 0.275254 0.0289872
+2546 5 0.246915 0.303148 0.0382458
+2547 5 0.293842 0.245315 0.0419103
+2548 4 0.74615 0.637135 0.113022
+2549 5 0.716033 0.607719 0.120124
+2550 5 0.777629 0.608045 0.115196
+2557 4 0.34053 0.769867 0.151303
+2558 5 0.372057 0.761131 0.139788
+2559 5 0.332732 0.810357 0.141573
+2560 4 0.840384 0.809312 0.0413106
+2561 5 0.838934 0.813982 0.0204206
+2562 5 0.803077 0.794676 0.0468969
+2563 4 0.281647 0.663449 0.140319
+2564 5 0.28591 0.622033 0.152752
+2565 5 0.301582 0.69842 0.149819
+2575 4 0.710764 0.0659422 0.0320443
+2576 5 0.744014 0.0444366 0.0375667
+2577 5 0.714547 0.0679552 0.010681
+2587 4 0.261059 0.67265 0.0851838
+2588 5 0.262933 0.677788 0.106375
+2589 5 0.255515 0.626251 0.0803172
+2593 4 0.0288221 0.226099 0.152266
+2594 5 0.0492303 0.204676 0.137069
+2595 5 0.00455369 0.192013 0.16031
+2611 4 0.957647 0.134203 0.165792
+2612 5 0.976274 0.0900864 0.166373
+2613 5 0.94633 0.145149 0.185518
+2614 4 0.813482 0.0234613 0.0426643
+2615 5 0.852368 0.0246282 0.0477172
+2616 5 0.817105 0.00807401 0.0240849
+2629 4 0.180059 0.452261 0.116246
+2630 5 0.191588 0.405639 0.111624
+2631 5 0.152454 0.446663 0.130964
+2644 4 0.029422 0.203619 0.0678191
+2645 5 0.0433356 0.181763 0.0854542
+2646 5 0.992889 0.183207 0.0659305
+2665 4 0.275866 0.463433 0.181237
+2666 5 0.314777 0.451795 0.185169
+2667 5 0.274991 0.474193 0.161418
+2668 4 0.155194 0.598119 0.0658004
+2669 5 0.184361 0.589413 0.0511779
+2670 5 0.170312 0.602983 0.084159
+2671 4 0.477799 0.270802 0.100669
+2672 5 0.496223 0.261021 0.118487
+2673 5 0.50706 0.288657 0.0885707
+2683 4 0.119516 0.413231 0.0397449
+2684 5 0.0977302 0.373507 0.0434613
+2685 5 0.101175 0.456709 0.0419851
+2692 4 0.835591 0.272401 0.0502443
+2693 5 0.801137 0.291449 0.0445887
+2694 5 0.864556 0.297053 0.039954
+2695 4 0.974881 0.332814 0.131642
+2696 5 0.944852 0.30521 0.126225
+2697 5 0.996283 0.302952 0.144662
+2707 4 0.08767 0.915455 0.0526551
+2708 5 0.0804112 0.921209 0.0733946
+2709 5 0.122243 0.935353 0.0485586
+2713 4 0.581738 0.0304374 0.0309767
+2714 5 0.609538 0.0598984 0.0233881
+2715 5 0.549913 0.0600025 0.0322256
+2719 4 0.319036 0.208066 0.0695821
+2720 5 0.304065 0.167762 0.0606204
+2721 5 0.358608 0.201736 0.0694952
+2731 4 0.450483 0.841528 0.0275462
+2732 5 0.462825 0.803748 0.0403673
+2733 5 0.46338 0.885452 0.0360827
+2740 4 0.161395 0.167804 0.033437
+2741 5 0.193692 0.152386 0.0241976
+2742 5 0.151211 0.195584 0.0172764
+2749 4 0.12529 0.87269 0.198026
+2750 5 0.104787 0.834385 0.190947
+2753 4 0.215271 0.377032 0.0566436
+2754 5 0.182193 0.395261 0.0476495
+2756 5 0.20638 0.351959 0.0743204
+2767 4 0.68374 0.855952 0.0716441
+2768 5 0.681207 0.844043 0.0921623
+2769 5 0.659586 0.895502 0.0723989
+2782 4 0.244801 0.594749 0.0323238
+2783 5 0.271885 0.629753 0.0260903
+2784 5 0.230298 0.575795 0.0140532
+2785 4 0.28702 0.120948 0.184132
+2786 5 0.295059 0.0856133 0.171085
+2787 5 0.254912 0.144848 0.178385
+2806 4 0.222999 0.853137 0.0288869
+2807 5 0.205573 0.898543 0.0303925
+2808 5 0.216 0.841056 0.00824229
+2812 4 0.735687 0.305239 0.0334577
+2813 5 0.738744 0.319185 0.0130775
+2814 5 0.718086 0.260484 0.0327724
+2824 4 0.20705 0.173543 0.153829
+2825 5 0.227903 0.214985 0.157683
+2826 5 0.218891 0.15225 0.135949
+2833 4 0.449958 0.643305 0.132702
+2834 5 0.446497 0.66864 0.150758
+2835 5 0.428741 0.666216 0.118414
+2842 4 0.809798 0.153913 0.0292323
+2843 5 0.789201 0.120555 0.0407487
+2844 5 0.819507 0.19658 0.0396879
+2848 4 0.763854 0.00123286 0.193458
+2849 5 0.797807 0.0272645 0.195479
+2854 4 0.345994 0.875363 0.0322444
+2855 5 0.32622 0.850485 0.0171264
+2856 5 0.382621 0.860739 0.0298942
+2875 4 0.644681 0.610351 0.0339051
+2876 5 0.633868 0.590964 0.015032
+2877 5 0.683084 0.62101 0.0305728
+2884 4 0.184929 0.588312 0.124697
+2885 5 0.178385 0.541175 0.116096
+2886 5 0.222236 0.584908 0.127354
+2890 4 0.978695 0.518998 0.0308334
+2891 5 0.010813 0.539021 0.0369798
+2892 5 0.970583 0.476007 0.0407994
+1363 4 0.634546 0.717606 0.291916
+1364 5 0.617135 0.684106 0.279089
+1365 5 0.672349 0.705743 0.287744
+1389 5 0.568343 0.481028 0.39891
+1396 4 0.657257 0.0250321 0.314459
+1397 5 0.677046 0.985051 0.30909
+1398 5 0.628769 0.0254547 0.299522
+1399 4 0.694544 0.382387 0.306455
+1400 4 0.605568 0.199346 0.381666
+1401 5 0.68771 0.370084 0.286986
+1402 5 0.575278 0.169333 0.377862
+1403 5 0.587278 0.241146 0.387588
+1404 5 0.676716 0.343679 0.315779
+1420 4 0.0281929 0.672297 0.361154
+1421 5 0.0499937 0.682976 0.344282
+1422 5 0.995991 0.702334 0.363646
+1426 4 0.998903 0.186839 0.348279
+1427 5 0.997017 0.200124 0.327558
+1428 5 0.0115974 0.140931 0.348264
+1438 4 0.200232 0.663039 0.228981
+1439 5 0.214793 0.622841 0.21983
+1440 5 0.193334 0.701418 0.215694
+1444 4 0.346294 0.150979 0.228325
+1445 5 0.319699 0.147485 0.213102
+1446 5 0.35352 0.102423 0.233291
+1447 4 0.417776 0.551893 0.370985
+1448 5 0.440972 0.590509 0.365782
+1449 5 0.397146 0.563005 0.388669
+1459 4 0.63207 0.18597 0.260634
+1460 5 0.598545 0.161515 0.261411
+1461 5 0.653299 0.166771 0.244755
+1462 4 0.718887 0.958703 0.280688
+1463 5 0.720714 0.931658 0.26324
+1464 5 0.730464 0.00245244 0.27364
+1471 4 0.37747 0.443632 0.248156
+1472 5 0.349407 0.472568 0.256591
+1473 5 0.412915 0.452199 0.257125
+1474 4 0.18861 0.0348772 0.31485
+1475 5 0.223158 0.0474079 0.309059
+1476 5 0.173074 0.0792152 0.319503
+1513 4 0.153188 0.283215 0.388505
+1514 5 0.123136 0.30616 0.379454
+1515 5 0.139162 0.241598 0.394392
+1534 4 0.589139 0.630482 0.333753
+1535 5 0.602168 0.664308 0.319506
+1536 5 0.621409 0.605706 0.340839
+1546 4 0.326742 0.00516719 0.240634
+1547 5 0.309688 0.967217 0.233026
+1548 5 0.315369 0.997162 0.260214
+1555 4 0.51114 0.521459 0.209024
+1556 5 0.485134 0.556342 0.213259
+1557 5 0.537886 0.530486 0.222648
+1564 4 0.841619 0.783792 0.292558
+1565 5 0.820761 0.766913 0.30967
+1566 5 0.863295 0.819814 0.300943
+1567 4 0.400211 0.758319 0.212731
+1569 5 0.361752 0.767269 0.207318
+1585 4 0.927969 0.441928 0.34945
+1586 5 0.919963 0.486632 0.357808
+1587 5 0.925016 0.447972 0.328722
+1588 4 0.709006 0.229027 0.363945
+1589 5 0.73207 0.189374 0.367055
+1590 5 0.677622 0.21958 0.37545
+1609 4 0.217538 0.0423054 0.215816
+1610 5 0.243543 0.078737 0.214811
+1611 5 0.185822 0.0714926 0.221549
+1612 4 0.434757 0.0385071 0.261689
+1613 5 0.453531 0.995895 0.266476
+1614 5 0.395688 0.028511 0.25984
+1618 4 0.139192 0.495352 0.298105
+1619 5 0.136801 0.545537 0.299925
+1620 5 0.158138 0.484402 0.316038
+1636 4 0.865152 0.756233 0.364759
+1637 5 0.85773 0.724984 0.380563
+1638 5 0.833775 0.750157 0.353275
+1645 4 0.559854 0.276558 0.208289
+1646 5 0.539577 0.311707 0.218967
+1647 5 0.560682 0.232806 0.219142
+1654 4 0.394046 0.150072 0.363294
+1655 5 0.408362 0.179089 0.377586
+1656 5 0.390059 0.102647 0.36944
+1657 4 0.511127 0.793963 0.352381
+1658 5 0.509154 0.838497 0.361029
+1659 5 0.542963 0.791729 0.340277
+1660 4 0.28185 0.804316 0.252469
+1661 5 0.284975 0.776247 0.234702
+1662 5 0.254371 0.83674 0.250093
+1666 4 0.187371 0.457784 0.345155
+1667 5 0.218172 0.486372 0.350528
+1668 5 0.179154 0.435968 0.363377
+1669 4 0.0349644 0.293426 0.373672
+1670 5 0.0340315 0.335161 0.360821
+1671 5 0.0233733 0.255173 0.36093
+1672 4 0.297917 0.751168 0.201569
+1693 4 0.44524 0.268852 0.332718
+1694 5 0.481389 0.277349 0.327288
+1695 5 0.436603 0.304172 0.347091
+1699 4 0.662691 0.0597528 0.366608
+1700 5 0.656128 0.0432568 0.347264
+1701 5 0.632441 0.0812437 0.373775
+1705 4 0.318423 0.418494 0.309846
+1707 5 0.298994 0.389054 0.296164
+1709 5 0.315842 0.461892 0.299671
+1717 4 0.835813 0.957716 0.29958
+1718 5 0.811568 0.967299 0.283122
+1719 5 0.871021 0.949964 0.292085
+1723 4 0.221824 0.263227 0.277069
+1724 5 0.232551 0.308024 0.270819
+1725 5 0.211731 0.268655 0.297765
+1726 4 0.0729572 0.506977 0.3655
+1727 5 0.0538114 0.544048 0.374382
+1728 5 0.100656 0.530307 0.353511
+1732 4 0.71246 0.774655 0.398958
+1733 5 0.682982 0.759153 0.387519
+1734 5 0.735017 0.803233 0.386447
+1738 4 0.922533 0.566013 0.230567
+1739 5 0.931698 0.560077 0.251166
+1740 5 0.908658 0.613166 0.232038
+1747 4 0.207661 0.104076 0.386972
+1748 5 0.173336 0.122509 0.392401
+1750 4 0.161728 0.778341 0.352371
+1751 5 0.159602 0.748452 0.3687
+1752 5 0.200712 0.790524 0.351312
+1753 4 0.00196241 0.188864 0.292724
+1754 5 0.0356877 0.207842 0.285531
+1755 5 0.979068 0.208769 0.279139
+1762 4 0.966779 0.771744 0.377364
+1763 5 0.968777 0.792121 0.396397
+1764 5 0.929927 0.757227 0.373774
+1774 4 0.520136 0.0570645 0.322008
+1775 5 0.490251 0.0239149 0.324352
+1776 5 0.547448 0.0385488 0.308829
+1777 4 0.482812 0.66503 0.357928
+1778 5 0.50945 0.632449 0.350812
+1779 5 0.497509 0.711079 0.35673
+1786 4 0.752544 0.866047 0.364881
+1787 5 0.737613 0.855639 0.346611
+1788 5 0.774085 0.907566 0.363846
+1795 4 0.517455 0.457144 0.367705
+1796 5 0.491457 0.478123 0.354728
+1797 5 0.495989 0.429541 0.37984
+1798 4 0.543871 0.308224 0.31488
+1799 5 0.556746 0.355991 0.316061
+1800 5 0.577116 0.281096 0.311759
+1801 4 0.44947 0.156313 0.289011
+1802 5 0.481149 0.180236 0.295081
+1803 5 0.461231 0.116006 0.27707
+1804 4 0.580207 0.022886 0.275888
+1805 5 0.579707 0.971395 0.275085
+1806 5 0.56532 0.0355848 0.25739
+1813 4 0.729825 0.654725 0.281733
+1814 5 0.751245 0.628416 0.294626
+1815 5 0.755952 0.678184 0.269505
+1818 5 0.869698 0.10609 0.212536
+1825 4 0.780043 0.731533 0.333838
+1826 5 0.759249 0.689416 0.338197
+1827 5 0.752996 0.763925 0.328772
+1846 4 0.327678 0.296227 0.337748
+1847 5 0.318931 0.344426 0.334505
+1848 5 0.314103 0.292825 0.356899
+1849 4 0.649581 0.260933 0.319513
+1852 5 0.668655 0.243442 0.33605
+1854 5 0.644307 0.220141 0.306073
+1861 4 0.778609 0.468079 0.205171
+1862 5 0.770644 0.42341 0.21151
+1863 5 0.748132 0.491942 0.212113
+1879 4 0.720801 0.598746 0.220179
+1880 5 0.731103 0.602285 0.240032
+1881 5 0.709162 0.644769 0.215646
+1882 4 0.376299 0.795256 0.265885
+1883 5 0.337704 0.80009 0.26673
+1884 5 0.384982 0.779181 0.245762
+1888 4 0.723148 0.831325 0.309181
+1889 5 0.748812 0.855882 0.298576
+1890 5 0.692054 0.856892 0.30871
+1894 4 0.125416 0.344774 0.205858
+1896 5 0.163997 0.345795 0.207073
+1900 4 0.85821 0.317207 0.285922
+1901 5 0.828613 0.348439 0.284802
+1902 5 0.840646 0.274452 0.29324
+1903 4 0.830272 0.352352 0.350319
+1904 5 0.819067 0.306977 0.344164
+1905 5 0.821956 0.383054 0.333557
+1906 4 0.616593 0.706005 0.213607
+1908 5 0.607149 0.754112 0.216457
+1930 4 0.787764 0.494614 0.362124
+1931 5 0.787059 0.510004 0.381386
+1932 5 0.820038 0.469584 0.360176
+1936 4 0.915527 0.959628 0.207863
+1938 5 0.888766 0.995404 0.204068
+1942 4 0.0333574 0.854115 0.353096
+1943 5 0.0632494 0.869093 0.365845
+1944 5 0.0116649 0.822832 0.363623
+1948 4 0.17392 0.641878 0.396898
+1949 5 0.213658 0.647912 0.395817
+1951 4 0.529712 0.109475 0.373917
+1952 5 0.52736 0.0923982 0.353784
+1953 5 0.500017 0.0889063 0.383371
+1966 4 0.574025 0.514069 0.286342
+1967 5 0.594402 0.484944 0.299701
+1968 5 0.575907 0.558977 0.29527
+1975 4 0.434379 0.973451 0.335916
+1976 5 0.433362 0.975689 0.3575
+1977 5 0.419625 0.930057 0.330869
+1978 4 0.954943 0.527872 0.299025
+1979 5 0.981796 0.550644 0.287475
+1980 5 0.957092 0.478196 0.294338
+1981 4 0.557531 0.320768 0.388931
+1982 5 0.536721 0.335122 0.372133
+1987 4 0.679809 0.473227 0.363783
+1988 5 0.681535 0.424909 0.368999
+1989 5 0.714427 0.476957 0.354656
+1996 4 0.0611701 0.414865 0.23917
+1997 5 0.0818142 0.386696 0.225237
+1998 5 0.038315 0.447525 0.229176
+2011 4 0.535802 0.151854 0.236246
+2012 5 0.501804 0.172401 0.23106
+2013 5 0.53963 0.108673 0.225837
+2014 4 0.210314 0.913164 0.385031
+2016 5 0.237672 0.898057 0.372485
+2017 4 0.270895 0.151402 0.340781
+2018 5 0.258179 0.13208 0.359223
+2019 5 0.236593 0.162829 0.33168
+2035 4 0.756614 0.116584 0.374024
+2036 5 0.719823 0.0975634 0.370848
+2037 5 0.766084 0.0971685 0.3928
+2042 5 0.0308702 0.00206621 0.201963
+2053 4 0.486728 0.315076 0.26595
+2054 5 0.485516 0.364955 0.269678
+2055 5 0.521989 0.303648 0.27319
+2056 4 0.943843 0.395665 0.292927
+2057 5 0.912553 0.366624 0.29634
+2058 5 0.950984 0.384893 0.27326
+2059 4 0.662471 0.598195 0.370654
+2060 5 0.659849 0.547057 0.366349
+2061 5 0.670091 0.597889 0.391583
+2071 4 0.44667 0.0710451 0.20309
+2072 5 0.439258 0.084254 0.222096
+2073 5 0.47738 0.0403174 0.205098
+2077 4 0.947076 0.0668394 0.289099
+2078 5 0.972333 0.105628 0.287802
+2079 5 0.966274 0.0395491 0.303533
+2084 4 0.0678192 0.20519 0.23105
+2085 5 0.0859484 0.197223 0.212028
+2087 5 0.0421818 0.240162 0.224901
+2094 5 0.382881 0.435864 0.211766
+2095 4 0.481996 0.942541 0.216301
+2096 5 0.509916 0.911119 0.212784
+2097 5 0.463051 0.92798 0.233983
+2098 4 0.0992642 0.229583 0.281836
+2099 5 0.097797 0.277784 0.288886
+2100 5 0.0984747 0.236712 0.260847
+2107 4 0.639561 0.34451 0.256918
+2108 5 0.66968 0.359854 0.244208
+2109 5 0.643162 0.295595 0.258173
+2113 4 0.00124452 0.484926 0.207202
+2114 5 0.978731 0.512522 0.218391
+2119 4 0.787701 0.0455738 0.255247
+2120 5 0.774017 0.0770353 0.241137
+2121 5 0.812569 0.0702559 0.267344
+2125 4 0.570348 0.891406 0.28979
+2126 5 0.589762 0.868866 0.305355
+2127 5 0.559605 0.857152 0.2758
+2128 4 0.363642 0.062 0.312534
+2129 5 0.341021 0.0247335 0.306571
+2130 5 0.39326 0.039077 0.321457
+2131 4 0.00922292 0.7025 0.224004
+2132 5 0.0292132 0.675173 0.238223
+2133 5 0.972998 0.704334 0.232069
+2137 4 0.251888 0.381797 0.25644
+2138 5 0.253243 0.363626 0.236954
+2139 5 0.228352 0.421086 0.251967
+2153 5 0.289152 0.511002 0.389472
+2155 4 0.907991 0.70643 0.238408
+2156 5 0.88444 0.717048 0.254659
+2157 5 0.89865 0.739127 0.224302
+2160 5 0.012146 0.630315 0.39079
+2161 4 0.859728 0.391082 0.201865
+2163 5 0.840649 0.433487 0.203727
+2164 4 0.901013 0.360312 0.39068
+2165 5 0.870563 0.349592 0.377835
+2166 5 0.914864 0.396548 0.377344
+2176 4 0.230539 0.342885 0.202915
+2179 4 0.103251 0.598483 0.231668
+2180 5 0.132106 0.631811 0.229151
+2181 5 0.0812332 0.603694 0.214915
+2185 4 0.176712 0.463693 0.248277
+2186 5 0.164967 0.469161 0.269185
+2187 5 0.144234 0.455928 0.237879
+2191 4 0.558224 0.652723 0.25722
+2192 5 0.528157 0.633645 0.245731
+2193 5 0.58352 0.660961 0.241805
+2200 4 0.04618 0.0820956 0.2457
+2201 5 0.0588352 0.129871 0.239947
+2202 5 0.0685439 0.0722454 0.262462
+2206 4 0.797237 0.717482 0.248352
+2207 5 0.785366 0.746861 0.233264
+2208 5 0.81504 0.747147 0.26264
+2209 4 0.452862 0.902055 0.269094
+2210 5 0.477608 0.887012 0.283384
+2211 5 0.432251 0.861087 0.263249
+2221 4 0.71742 0.360981 0.225411
+2222 5 0.699151 0.349225 0.207328
+2223 5 0.731342 0.316058 0.230847
+2233 4 0.30578 0.522992 0.281774
+2234 5 0.276014 0.53876 0.269831
+2235 5 0.310133 0.558934 0.295867
+2242 4 0.0802521 0.702126 0.313481
+2243 5 0.0949727 0.74808 0.311909
+2244 5 0.0422186 0.7124 0.310203
+2260 4 0.626556 0.723961 0.372769
+2261 5 0.637661 0.680231 0.365895
+2262 5 0.602651 0.716153 0.388477
+2269 4 0.0389323 0.555449 0.270365
+2270 5 0.0527369 0.513619 0.280139
+2271 5 0.067267 0.574182 0.258096
+2284 4 0.428617 0.371827 0.374013
+2285 5 0.392986 0.389138 0.378439
+2286 5 0.446534 0.376454 0.392232
+2293 4 0.163352 0.170756 0.324431
+2294 5 0.166833 0.209946 0.337375
+2295 5 0.144535 0.188547 0.308527
+2320 4 0.932612 0.134694 0.224282
+2321 5 0.927322 0.174854 0.238106
+2322 5 0.959391 0.106171 0.232389
+2326 4 0.920395 0.225252 0.389594
+2327 5 0.924972 0.275965 0.393598
+2328 5 0.950799 0.218814 0.37729
+2332 4 0.107165 0.358761 0.298303
+2333 5 0.0816895 0.376289 0.313601
+2334 5 0.117531 0.398644 0.286949
+2335 4 0.912852 0.571921 0.378168
+2336 5 0.940466 0.569572 0.393052
+2337 5 0.885508 0.602188 0.388265
+2347 4 0.33216 0.384721 0.389437
+2348 5 0.313376 0.419398 0.399496
+2349 5 0.303634 0.352663 0.391432
+2350 4 0.895939 0.611962 0.325792
+2351 5 0.910132 0.574394 0.314822
+2352 5 0.902698 0.602288 0.345025
+2356 4 0.60022 0.439054 0.334525
+2357 5 0.570172 0.452851 0.346167
+2358 5 0.63065 0.43235 0.347599
+2365 4 0.709023 0.879259 0.235815
+2366 5 0.670803 0.877089 0.233608
+2367 5 0.721238 0.853646 0.219412
+2368 4 0.560371 0.0329328 0.222147
+2369 5 0.59262 0.0365564 0.209841
+2370 5 0.54895 0.984358 0.222768
+2374 4 0.9464 0.365671 0.234773
+2375 5 0.912926 0.383504 0.22764
+2376 5 0.972882 0.388149 0.222892
+2383 4 0.856801 0.11847 0.298449
+2384 5 0.85402 0.129159 0.319296
+2385 5 0.889149 0.0883111 0.29713
+2398 4 0.355331 0.774664 0.362159
+2399 5 0.36576 0.74131 0.347516
+2400 5 0.371496 0.760033 0.380243
+2404 4 0.761009 0.244391 0.246207
+2405 5 0.765287 0.238647 0.26686
+2406 5 0.796291 0.247359 0.238449
+2413 4 0.537031 0.790895 0.254326
+2414 5 0.553167 0.746474 0.258486
+2415 5 0.555333 0.8109 0.236655
+2419 4 0.524179 0.925282 0.378986
+2420 5 0.517592 0.941684 0.360232
+2421 5 0.49951 0.951771 0.392312
+2422 4 0.261522 0.812623 0.344237
+2423 5 0.295726 0.792417 0.348856
+2424 5 0.273084 0.845687 0.330674
+2428 4 0.296295 0.16975 0.277319
+2429 5 0.266747 0.1997 0.274706
+2430 5 0.313442 0.172636 0.258578
+2431 4 0.602068 0.797936 0.329697
+2432 5 0.60837 0.778279 0.348879
+2433 5 0.617428 0.764602 0.315823
+2437 4 0.724144 0.35837 0.382877
+2438 5 0.763092 0.349482 0.385998
+2439 5 0.718481 0.317454 0.371895
+2443 4 0.289311 0.498728 0.354103
+2444 5 0.304851 0.466164 0.340501
+2445 5 0.296856 0.542722 0.343576
+2451 5 0.133023 0.700803 0.397829
+2452 4 0.21117 0.908291 0.231747
+2453 5 0.213248 0.956842 0.226819
+2454 5 0.184613 0.887564 0.217718
+2464 4 0.0342058 0.403731 0.331786
+2465 5 0.0435692 0.447227 0.340806
+2466 5 0.99741 0.400869 0.325572
+2479 4 0.462796 0.632863 0.23258
+2480 5 0.453366 0.667891 0.219599
+2481 5 0.430893 0.618954 0.24497
+2509 4 0.815623 0.975942 0.352625
+2510 5 0.827071 0.959691 0.33333
+2511 5 0.805548 0.0230952 0.348653
+2515 4 0.931467 0.961513 0.263235
+2516 5 0.922795 0.961308 0.24261
+2517 5 0.935612 0.0107758 0.268044
+2524 4 0.457234 0.77334 0.304749
+2525 5 0.479939 0.764061 0.288873
+2526 5 0.479611 0.767854 0.321409
+2533 4 0.616386 0.46154 0.218637
+2534 5 0.599231 0.425842 0.229702
+2535 5 0.654522 0.454542 0.221133
+2536 4 0.696384 0.131821 0.222041
+2537 5 0.720235 0.170953 0.220243
+2538 5 0.674211 0.124837 0.20576
+2542 4 0.0394638 0.0531862 0.334623
+2543 5 0.0545637 0.0436499 0.315636
+2544 5 0.0648658 0.0332657 0.348067
+2566 4 0.0891016 0.0121564 0.29071
+2567 5 0.0847663 0.961717 0.288787
+2568 5 0.117748 0.0225681 0.303018
+2581 4 0.922556 0.252744 0.251314
+2582 5 0.891919 0.266605 0.262892
+2583 5 0.937499 0.298059 0.246327
+2602 4 0.974606 0.724631 0.303475
+2603 5 0.94843 0.756343 0.29743
+2604 5 0.953 0.687265 0.311811
+2620 4 0.301011 0.236669 0.390354
+2623 4 0.380602 0.619973 0.263168
+2624 5 0.38191 0.66012 0.275097
+2625 5 0.342895 0.610698 0.259282
+2626 4 0.101135 0.8335 0.311261
+2627 5 0.0673945 0.842844 0.321725
+2628 5 0.12782 0.825897 0.326399
+2632 4 0.318236 0.947382 0.293037
+2633 5 0.284463 0.921256 0.292157
+2634 5 0.343352 0.910303 0.297926
+2641 4 0.243406 0.548386 0.222437
+2642 5 0.217598 0.518527 0.233251
+2643 5 0.26216 0.51822 0.209237
+2647 4 0.919193 0.844802 0.316491
+2648 5 0.923654 0.889307 0.324072
+2649 5 0.938939 0.815886 0.330213
+2650 4 0.118598 0.0190056 0.369582
+2651 5 0.149821 0.0480048 0.370784
+2652 5 0.131535 0.974181 0.372845
+2659 4 0.85956 0.141436 0.356897
+2660 5 0.876959 0.173747 0.370214
+2661 5 0.822169 0.150814 0.360102
+2662 4 0.964567 0.957284 0.343616
+2663 5 0.992235 0.98999 0.347397
+2664 5 0.981769 0.914744 0.336763
+2675 5 0.360886 0.856042 0.396973
+2677 4 0.0184508 0.020977 0.395665
+2678 5 0.0552519 0.0204357 0.389481
+2679 5 0.996489 0.0490481 0.383462
+2698 4 0.388482 0.687672 0.324781
+2699 5 0.41274 0.714684 0.31217
+2700 5 0.412829 0.660623 0.33638
+2701 4 0.798642 0.418718 0.308936
+2702 5 0.794967 0.467963 0.308099
+2703 5 0.761226 0.402887 0.309943
+2704 4 0.0197116 0.904233 0.271344
+2705 5 0.0156757 0.857025 0.27738
+2706 5 0.980396 0.916967 0.271879
+2710 4 0.0596964 0.960349 0.226216
+2711 5 0.0628077 0.0075787 0.232535
+2712 5 0.0377044 0.937725 0.241725
+2716 4 0.305676 0.613924 0.32304
+2717 5 0.339039 0.636393 0.327164
+2718 5 0.287711 0.647282 0.309733
+2725 4 0.254346 0.685738 0.28033
+2726 5 0.260608 0.729764 0.271985
+2727 5 0.223695 0.671782 0.270516
+2734 4 0.191362 0.30864 0.32334
+2735 5 0.158381 0.329211 0.315627
+2736 5 0.212824 0.341489 0.335019
+2743 4 0.192358 0.186145 0.236438
+2744 5 0.201837 0.219192 0.251897
+2745 5 0.170989 0.207929 0.223377
+2746 4 0.413571 0.48234 0.323
+2747 5 0.377811 0.46422 0.318834
+2748 5 0.413001 0.509826 0.339667
+2751 5 0.10034 0.899435 0.209657
+2770 4 0.844633 0.261375 0.207874
+2771 5 0.845629 0.308764 0.203557
+2772 5 0.880237 0.255861 0.216596
+2776 4 0.787891 0.587714 0.324673
+2777 5 0.787402 0.553784 0.339938
+2778 5 0.823468 0.607063 0.324513
+2779 4 0.384821 0.862833 0.320166
+2780 5 0.408924 0.836332 0.308542
+2781 5 0.374096 0.82401 0.331765
+2788 4 0.713834 0.147068 0.298629
+2789 5 0.695852 0.10709 0.306011
+2790 5 0.695415 0.165298 0.282174
+2803 4 0.794445 0.220041 0.301524
+2804 5 0.815251 0.17852 0.298547
+2805 5 0.760203 0.194715 0.302117
+2821 4 0.112623 0.882304 0.386288
+2822 5 0.110877 0.832 0.388728
+2823 5 0.151396 0.889466 0.381945
+2827 4 0.131365 0.422919 0.396888
+2828 5 0.0985722 0.440203 0.389936
+2845 4 0.212698 0.909607 0.290222
+2846 5 0.196503 0.90769 0.270774
+2847 5 0.196391 0.942094 0.302409
+2850 5 0.754334 0.983432 0.211552
+2851 4 0.893601 0.981986 0.387261
+2852 5 0.859441 0.989398 0.377182
+2853 5 0.911994 0.967898 0.370373
+2857 4 0.135583 0.604364 0.332395
+2858 5 0.107777 0.637078 0.325413
+2859 5 0.15877 0.634293 0.343877
+2864 5 0.434463 0.702429 0.389033
+2866 4 0.380949 0.285402 0.276987
+2867 5 0.376122 0.324484 0.264686
+2868 5 0.419433 0.284522 0.280519
+2869 4 0.474198 0.441306 0.285636
+2870 5 0.505016 0.468548 0.280842
+2871 5 0.454229 0.459549 0.301868
+2878 4 0.446411 0.242703 0.221926
+2879 5 0.452867 0.27678 0.23691
+2880 5 0.415561 0.216387 0.228633
+2896 6 0.421146 0.00854606 0.398485
+2897 6 0.586865 0.866436 0.207261
+2898 7 0.365399 0.190125 0.314449
+1351 4 0.261197 0.845212 0.433809
+1352 5 0.247754 0.867371 0.450214
+1353 5 0.295252 0.867612 0.428105
+1354 4 0.729629 0.394501 0.444908
+1355 5 0.726915 0.366714 0.462237
+1356 5 0.750436 0.367691 0.431323
+1357 4 0.129197 0.949761 0.584332
+1358 5 0.161241 0.97995 0.581109
+1366 4 0.998737 0.635634 0.523623
+1367 5 0.961647 0.621128 0.527121
+1368 5 0.0177772 0.591517 0.526464
+1372 4 0.808169 0.533674 0.525189
+1373 5 0.794377 0.550796 0.507871
+1374 5 0.786379 0.495587 0.531962
+1375 4 0.526317 0.314339 0.544368
+1376 5 0.556634 0.327541 0.532272
+1377 5 0.509276 0.276387 0.534389
+1378 4 0.479042 0.790702 0.533278
+1379 5 0.505141 0.810114 0.546698
+1380 5 0.449541 0.822876 0.535212
+1387 4 0.584015 0.486868 0.418729
+1388 5 0.600897 0.444426 0.424135
+1390 4 0.871756 0.233081 0.581377
+1392 5 0.876351 0.283321 0.580351
+1393 4 0.131781 0.182232 0.507058
+1394 5 0.153312 0.159605 0.521782
+1395 5 0.146751 0.228545 0.504608
+1405 4 0.795886 0.704088 0.590715
+1406 5 0.833286 0.69632 0.589719
+1407 5 0.780276 0.715143 0.572552
+1414 4 0.55697 0.119475 0.50849
+1415 5 0.553106 0.0704265 0.512549
+1416 5 0.560647 0.124944 0.488167
+1423 4 0.351632 0.602106 0.581324
+1424 5 0.373008 0.640899 0.578298
+1432 4 0.778642 0.502064 0.418992
+1433 5 0.753202 0.464974 0.422996
+1434 5 0.815474 0.488888 0.425597
+1435 4 0.821146 0.576314 0.465344
+1436 5 0.857997 0.579747 0.459581
+1437 5 0.807 0.56901 0.446751
+1441 4 0.506415 0.094055 0.581738
+1442 5 0.540682 0.0705629 0.577447
+1443 5 0.518045 0.142643 0.580759
+1456 4 0.63167 0.36732 0.430526
+1457 5 0.632238 0.342758 0.412634
+1458 5 0.668225 0.38478 0.431261
+1483 4 0.00331751 0.88005 0.584616
+1484 5 0.0325218 0.902011 0.573493
+1486 4 0.448312 0.5062 0.443136
+1487 5 0.468916 0.543467 0.450573
+1488 5 0.427939 0.492187 0.460141
+1489 4 0.737856 0.440831 0.546519
+1490 5 0.738744 0.397806 0.555911
+1491 5 0.724486 0.472334 0.560101
+1495 4 0.920416 0.256428 0.450856
+1496 5 0.936823 0.239267 0.46836
+1497 5 0.946759 0.28674 0.442567
+1501 4 0.819174 0.912476 0.549003
+1502 5 0.799083 0.898985 0.532222
+1503 5 0.802918 0.878874 0.563071
+1504 4 0.91917 0.0958017 0.581912
+1505 5 0.935876 0.073892 0.565868
+1506 5 0.907045 0.141357 0.576663
+1507 4 0.235417 0.649555 0.459657
+1508 5 0.198711 0.664964 0.458638
+1509 5 0.250958 0.667477 0.441943
+1510 4 0.477275 0.382209 0.422954
+1511 5 0.476286 0.426176 0.431926
+1512 5 0.475699 0.354087 0.440862
+1516 4 0.876111 0.353245 0.504604
+1517 5 0.841329 0.338527 0.512268
+1518 5 0.867503 0.369205 0.485868
+1525 4 0.482127 0.955763 0.587631
+1526 5 0.498839 0.91686 0.577978
+1527 5 0.488187 0.99148 0.573012
+1528 4 0.734053 0.325235 0.565905
+1529 5 0.696247 0.325106 0.572055
+1530 5 0.748751 0.280922 0.571018
+1540 4 0.491766 0.770278 0.425462
+1541 5 0.52284 0.739869 0.422166
+1542 5 0.49039 0.765661 0.446268
+1543 4 0.950991 0.174866 0.500962
+1544 5 0.948351 0.128067 0.494725
+1545 5 0.918235 0.184281 0.511804
+1570 4 0.900726 0.476968 0.51097
+1571 5 0.889117 0.429947 0.511915
+1572 5 0.870948 0.50329 0.51785
+1579 4 0.424544 0.487789 0.583191
+1580 5 0.395681 0.453688 0.583575
+1581 5 0.402565 0.523763 0.575061
+1594 4 0.885864 0.897882 0.592909
+1595 5 0.867608 0.925155 0.578173
+1596 5 0.925185 0.908236 0.593256
+1606 4 0.610649 0.0605005 0.58212
+1608 5 0.62907 0.103986 0.580274
+1627 4 0.64254 0.836024 0.592788
+1629 5 0.678287 0.846731 0.59833
+1630 4 0.757368 0.853011 0.588204
+1631 5 0.768865 0.803986 0.590896
+1642 4 0.140599 0.342738 0.446706
+1643 5 0.145856 0.326204 0.426493
+1644 5 0.141786 0.393794 0.444147
+1681 4 0.222272 0.538758 0.487734
+1682 5 0.228149 0.583318 0.47957
+1683 5 0.205548 0.543198 0.506724
+1687 4 0.809885 0.924797 0.429988
+1688 5 0.83802 0.940565 0.416932
+1689 5 0.824209 0.933981 0.448931
+1690 4 0.155132 0.95307 0.473513
+1691 5 0.13098 0.933008 0.459439
+1692 5 0.179788 0.918225 0.480516
+1696 4 0.325386 0.364313 0.484827
+1697 5 0.355093 0.395797 0.485419
+1698 5 0.295712 0.393997 0.477756
+1702 4 0.280668 0.712958 0.418475
+1703 5 0.319164 0.709009 0.415426
+1704 5 0.270976 0.759497 0.424185
+1706 4 0.0581721 0.740215 0.532153
+1708 5 0.0406658 0.695809 0.527566
+1710 5 0.0528814 0.770218 0.516234
+1711 4 0.382304 0.108162 0.483138
+1712 5 0.361013 0.0987212 0.499918
+1713 5 0.414819 0.125912 0.490405
+1714 4 0.740018 0.18851 0.449665
+1715 5 0.774954 0.185289 0.459025
+1716 5 0.737437 0.149849 0.436834
+1749 5 0.212154 0.067044 0.400776
+1756 4 0.303185 0.925648 0.582953
+1758 5 0.292364 0.878704 0.583184
+1759 4 0.0644365 0.920223 0.54096
+1760 5 0.0912827 0.917321 0.55497
+1761 5 0.0735692 0.960199 0.529102
+1780 4 0.434004 0.671962 0.590093
+1781 5 0.451223 0.632782 0.59911
+1783 4 0.394454 0.842897 0.466364
+1784 5 0.409056 0.88868 0.467351
+1785 5 0.382266 0.848826 0.446371
+1789 4 0.44874 0.958089 0.469798
+1790 5 0.428245 0.994903 0.462526
+1791 5 0.481161 0.955708 0.458063
+1792 4 0.0131747 0.251083 0.58822
+1793 5 0.012763 0.213977 0.574036
+1794 5 0.992028 0.287519 0.579368
+1807 4 0.253344 0.436051 0.454314
+1808 5 0.267177 0.462099 0.436674
+1809 5 0.237183 0.473763 0.466368
+1819 4 0.441026 0.12284 0.53611
+1820 5 0.411208 0.105344 0.5477
+1821 5 0.47321 0.101324 0.542173
+1828 4 0.873545 0.453994 0.427349
+1829 5 0.909457 0.46936 0.434172
+1830 5 0.880749 0.408327 0.420328
+1834 4 0.782418 0.308064 0.519534
+1835 5 0.757272 0.292768 0.504765
+1836 5 0.758252 0.322742 0.535293
+1840 4 0.900129 0.358065 0.585341
+1841 5 0.88261 0.40275 0.583549
+1842 5 0.928442 0.361956 0.57116
+1843 4 0.289033 0.0805675 0.516087
+1844 5 0.268415 0.10546 0.529532
+1845 5 0.268623 0.0831948 0.498802
+1858 4 0.855263 0.656938 0.410253
+1859 5 0.87965 0.650999 0.425927
+1860 5 0.823507 0.677593 0.418363
+1864 4 0.130573 0.167291 0.419454
+1865 5 0.152277 0.16481 0.436618
+1866 5 0.097344 0.192245 0.423587
+1870 4 0.653509 0.947551 0.559512
+1871 5 0.638737 0.984225 0.57104
+1872 5 0.655616 0.904166 0.569796
+1873 4 0.991424 0.343686 0.438723
+1874 5 0.0151083 0.358934 0.452391
+1875 5 0.98815 0.380382 0.424223
+1876 4 0.129679 0.470735 0.587722
+1877 5 0.169041 0.468997 0.589582
+1885 4 0.370572 0.589768 0.420023
+1886 5 0.396738 0.570436 0.43278
+1887 5 0.380797 0.637233 0.417114
+1891 4 0.541677 0.566079 0.506593
+1892 5 0.575378 0.593273 0.506782
+1893 5 0.512979 0.587451 0.495155
+1921 4 0.532922 0.546334 0.56862
+1922 5 0.503126 0.544526 0.581302
+1923 5 0.523504 0.547001 0.547778
+1927 4 0.641117 0.566076 0.460154
+1928 5 0.651626 0.540572 0.477904
+1929 5 0.612669 0.542174 0.450246
+1939 4 0.767555 0.73401 0.536115
+1940 5 0.762695 0.779169 0.527013
+1941 5 0.802305 0.719197 0.528685
+1950 5 0.164578 0.600729 0.409144
+1957 4 0.388975 0.821952 0.584895
+1958 5 0.399312 0.857374 0.572325
+1959 5 0.367345 0.792138 0.574158
+1960 4 0.57431 0.991122 0.52312
+1961 5 0.605246 0.014979 0.529933
+1962 5 0.587854 0.965728 0.507378
+1963 4 0.496455 0.441477 0.503376
+1964 5 0.523127 0.480174 0.504678
+1965 5 0.514781 0.39852 0.50613
+1983 5 0.541114 0.334649 0.406777
+1984 4 0.641835 0.190819 0.524872
+1985 5 0.667464 0.161452 0.51414
+1986 5 0.608177 0.172116 0.518109
+1993 4 0.133851 0.710722 0.466236
+1994 5 0.155538 0.746856 0.458104
+1995 5 0.101278 0.70589 0.45413
+2005 4 0.0348754 0.240343 0.523609
+2006 5 0.0674644 0.218423 0.518301
+2007 5 0.0113713 0.211428 0.512476
+2008 4 0.883411 0.0856454 0.423974
+2009 5 0.889478 0.0532983 0.408418
+2010 5 0.906517 0.124166 0.419477
+2015 5 0.225584 0.937012 0.401288
+2020 4 0.209302 0.274474 0.585553
+2021 5 0.173316 0.291862 0.583352
+2023 4 0.978281 0.742065 0.578203
+2024 5 0.994347 0.786012 0.57993
+2025 5 0.987322 0.719803 0.560152
+2047 4 0.833216 0.185 0.467121
+2048 5 0.846298 0.158009 0.483966
+2049 5 0.863517 0.203475 0.455595
+2074 4 0.0259794 0.395482 0.589612
+2076 5 0.0500554 0.361993 0.580391
+2089 4 0.0454577 0.389701 0.493629
+2090 5 0.0364312 0.347833 0.503005
+2091 5 0.0783741 0.402109 0.504182
+2101 4 0.0387405 0.232232 0.422811
+2102 5 0.0415262 0.248923 0.402083
+2103 5 0.0151778 0.270661 0.42931
+2122 4 0.240207 0.339971 0.406197
+2123 5 0.235076 0.353437 0.425926
+2124 5 0.210289 0.313639 0.400328
+2146 4 0.348872 0.38804 0.583056
+2147 5 0.335016 0.353921 0.570156
+2152 4 0.288299 0.508854 0.411352
+2154 5 0.313324 0.544829 0.415778
+2158 4 0.000671518 0.599984 0.407465
+2159 5 0.0171496 0.618016 0.425102
+2167 4 0.929318 0.0564398 0.488137
+2168 5 0.891856 0.046681 0.490163
+2169 5 0.937156 0.0359671 0.469634
+2173 4 0.766156 0.195823 0.585289
+2174 5 0.802407 0.200382 0.580723
+2194 4 0.961967 0.0349813 0.536078
+2195 5 0.983423 0.994494 0.533227
+2196 5 0.949574 0.0446632 0.516332
+2203 4 0.380274 0.588016 0.504635
+2204 5 0.345352 0.611891 0.506516
+2205 5 0.401921 0.613076 0.518713
+2212 4 0.397653 0.249211 0.584128
+2213 5 0.383842 0.263925 0.565325
+2214 5 0.433787 0.2616 0.588943
+2218 4 0.0968076 0.711652 0.583544
+2219 5 0.0811658 0.665103 0.582287
+2220 5 0.0797276 0.734184 0.567952
+2227 4 0.655472 0.182642 0.582186
+2228 5 0.650297 0.19106 0.562526
+2229 5 0.69268 0.170291 0.582857
+2236 4 0.243017 0.273205 0.533009
+2237 5 0.235937 0.282608 0.553651
+2238 5 0.219539 0.305054 0.522375
+2245 4 0.771525 0.721569 0.436317
+2246 5 0.748926 0.680929 0.44054
+2247 5 0.748181 0.744399 0.4221
+2248 4 0.010414 0.757617 0.461554
+2249 5 0.980387 0.778042 0.452672
+2250 5 0.0262732 0.793865 0.473477
+2251 4 0.958971 0.314488 0.540794
+2252 5 0.930696 0.323856 0.525912
+2253 5 0.988648 0.292763 0.531318
+2254 4 0.541755 0.872415 0.566758
+2255 5 0.565193 0.899374 0.555061
+2256 5 0.566319 0.847572 0.578643
+2257 4 0.666899 0.719071 0.560658
+2258 5 0.656802 0.757004 0.572187
+2259 5 0.702781 0.733198 0.554079
+2263 4 0.601821 0.929461 0.477178
+2264 5 0.631818 0.899538 0.475207
+2265 5 0.578116 0.911418 0.462778
+2266 4 0.443432 0.661346 0.533331
+2267 5 0.440652 0.659421 0.554396
+2268 5 0.454854 0.708562 0.528387
+2272 4 0.773185 0.0709746 0.42625
+2273 5 0.810247 0.0696041 0.431591
+2274 5 0.752617 0.0325131 0.434014
+2278 4 0.862113 0.20175 0.52793
+2279 5 0.844463 0.240661 0.518234
+2280 5 0.858806 0.207308 0.548974
+2281 4 0.683493 0.111674 0.48925
+2282 5 0.667389 0.0795494 0.475672
+2283 5 0.698049 0.142003 0.475083
+2290 4 0.222275 0.00179794 0.587169
+2292 5 0.25219 0.972208 0.581794
+2296 4 0.018214 0.010649 0.450981
+2297 5 0.0314806 0.0550837 0.45625
+2298 5 0.0193461 0.0188833 0.43021
+2299 4 0.198853 0.725258 0.576514
+2300 5 0.204715 0.721817 0.597262
+2301 5 0.160244 0.72452 0.577755
+2302 4 0.109193 0.30438 0.580902
+2303 5 0.0840137 0.264086 0.583154
+2304 5 0.112447 0.324833 0.599866
+2305 4 0.297147 0.166467 0.584057
+2306 5 0.285392 0.202759 0.571188
+2308 4 0.496769 0.310416 0.471674
+2309 5 0.534206 0.294837 0.471326
+2310 5 0.482291 0.281396 0.487837
+2311 4 0.875392 0.747571 0.509943
+2312 5 0.894551 0.786545 0.519689
+2313 5 0.866992 0.768883 0.491267
+2317 4 0.16939 0.52985 0.427923
+2318 5 0.142227 0.516239 0.441179
+2319 5 0.20133 0.528301 0.439776
+2323 4 0.0877071 0.903402 0.440312
+2324 5 0.067114 0.944887 0.436025
+2325 5 0.0949426 0.893757 0.419441
+2329 4 0.644938 0.341725 0.591591
+2331 5 0.634811 0.386257 0.583378
+2338 4 0.658547 0.707381 0.464642
+2339 5 0.640671 0.683951 0.480747
+2340 5 0.674447 0.672831 0.453217
+2353 4 0.49884 0.393205 0.5911
+2354 5 0.480271 0.434325 0.587324
+2355 5 0.501155 0.375991 0.571016
+2359 4 0.548848 0.217423 0.585901
+2360 5 0.545137 0.246961 0.569344
+2361 5 0.586587 0.209744 0.585848
+2362 4 0.317182 0.823359 0.505715
+2363 5 0.350375 0.81971 0.492598
+2364 5 0.319875 0.867688 0.516455
+2386 4 0.893629 0.620741 0.525949
+2387 5 0.887187 0.670839 0.521523
+2388 5 0.858562 0.600982 0.526516
+2392 4 0.712359 0.958118 0.421816
+2393 5 0.751108 0.947207 0.425024
+2394 5 0.702666 0.93469 0.404269
+2407 4 0.159672 0.315058 0.500872
+2408 5 0.147396 0.354047 0.51274
+2409 5 0.147519 0.330652 0.482545
+2425 4 0.74633 0.000331879 0.586404
+2426 5 0.761921 0.0329824 0.573804
+2427 5 0.730581 0.964902 0.574743
+2434 4 0.674591 0.571893 0.543378
+2435 5 0.700338 0.595311 0.555573
+2436 5 0.655243 0.54154 0.557377
+2440 4 0.449928 0.24275 0.512085
+2441 5 0.414582 0.260312 0.510548
+2442 5 0.447652 0.19385 0.519861
+2446 4 0.315335 0.0367324 0.436924
+2447 5 0.348247 0.0157306 0.430757
+2448 5 0.325141 0.0830086 0.432084
+2449 4 0.106742 0.736759 0.401115
+2450 5 0.0746826 0.712003 0.404673
+2458 4 0.0278937 0.637555 0.461024
+2459 5 0.0559177 0.628322 0.475696
+2460 5 0.0278317 0.688559 0.462971
+2461 4 0.597023 0.371197 0.510043
+2462 5 0.612786 0.407365 0.497862
+2463 5 0.592653 0.334472 0.495997
+2470 4 0.917512 0.643078 0.458582
+2471 5 0.914286 0.638921 0.479063
+2472 5 0.956516 0.647884 0.455995
+2473 4 0.478256 0.773178 0.480991
+2474 5 0.445025 0.797611 0.476146
+2475 5 0.478901 0.788074 0.501307
+2482 4 0.98188 0.488381 0.5605
+2483 5 0.000270671 0.452072 0.573096
+2484 5 0.978217 0.466659 0.541705
+2485 4 0.169009 0.742792 0.520288
+2486 5 0.129699 0.738962 0.520289
+2487 5 0.180149 0.73606 0.540198
+2491 4 0.640237 0.0440175 0.44575
+2492 5 0.62605 0.00768476 0.458193
+2493 5 0.665967 0.0198285 0.432872
+2494 4 0.956639 0.906576 0.47228
+2495 5 0.97687 0.869883 0.482082
+2496 5 0.982416 0.94365 0.468004
+2497 4 0.392896 0.458655 0.491281
+2498 5 0.384213 0.507341 0.493447
+2499 5 0.431648 0.446467 0.493538
+2503 4 0.342712 0.294002 0.533989
+2504 5 0.30528 0.27409 0.534838
+2505 5 0.335795 0.325793 0.517715
+2512 4 0.831664 0.00223302 0.499846
+2513 5 0.835351 0.978425 0.517737
+2514 5 0.792817 0.00425524 0.496269
+2518 4 0.774416 0.854524 0.506038
+2519 5 0.742746 0.859951 0.495275
+2520 5 0.799629 0.835753 0.491557
+2521 4 0.295031 0.776934 0.560544
+2522 5 0.26436 0.744413 0.560903
+2523 5 0.299502 0.790861 0.54039
+2527 4 0.0650734 0.571792 0.571477
+2528 5 0.0892344 0.534143 0.575705
+2529 5 0.0334269 0.543987 0.566502
+2539 4 0.839463 0.802229 0.464766
+2540 5 0.859139 0.818591 0.447766
+2541 5 0.816233 0.766259 0.45663
+2551 4 0.37926 0.0741469 0.571417
+2552 5 0.39284 0.0865132 0.589784
+2553 5 0.341866 0.0881414 0.576471
+2554 4 0.356382 0.29833 0.439038
+2555 5 0.347708 0.320284 0.457002
+2556 5 0.37599 0.332679 0.427968
+2569 4 0.736328 0.0131481 0.515714
+2570 5 0.725717 0.05612 0.507705
+2571 5 0.71001 0.987947 0.526924
+2572 4 0.681282 0.842915 0.470161
+2573 5 0.706618 0.855812 0.45469
+2574 5 0.673885 0.793529 0.467607
+2578 4 0.0929095 0.0189878 0.509087
+2579 5 0.114356 0.9959 0.494354
+2580 5 0.0753586 0.0576795 0.499962
+2584 4 0.218768 0.851309 0.489258
+2585 5 0.201659 0.815729 0.502082
+2586 5 0.257405 0.850938 0.491843
+2590 4 0.264841 0.597655 0.557015
+2591 5 0.300591 0.599426 0.56641
+2592 5 0.273596 0.622211 0.538994
+2596 4 0.105136 0.489676 0.468071
+2597 5 0.113891 0.535532 0.474755
+2598 5 0.0691439 0.479017 0.474637
+2599 4 0.922334 0.865994 0.422723
+2600 5 0.926574 0.882606 0.442219
+2601 5 0.921995 0.905784 0.410896
+2605 4 0.872507 0.485408 0.579416
+2607 5 0.908043 0.498503 0.573037
+2608 4 0.348731 0.165371 0.435648
+2609 5 0.347424 0.216626 0.437818
+2610 5 0.354545 0.144817 0.454668
+2617 4 0.623856 0.488632 0.580279
+2618 5 0.586336 0.496563 0.573667
+2621 5 0.279082 0.262763 0.403826
+2622 5 0.323975 0.209179 0.403476
+2635 4 0.579215 0.669199 0.588067
+2636 5 0.568243 0.625702 0.581514
+2637 5 0.610451 0.678047 0.575683
+2638 4 0.556671 0.876555 0.433443
+2639 5 0.566974 0.885402 0.412838
+2640 5 0.529295 0.840789 0.430778
+2653 4 0.114864 0.401013 0.537019
+2654 5 0.118649 0.442253 0.549517
+2655 5 0.11514 0.361255 0.550673
+2656 4 0.227681 0.233329 0.456956
+2657 5 0.248331 0.239204 0.474503
+2658 5 0.19828 0.263857 0.458016
+2674 4 0.356801 0.879576 0.414498
+2676 5 0.373015 0.922801 0.414674
+2680 4 0.591187 0.274039 0.468248
+2681 5 0.605849 0.307254 0.454228
+2682 5 0.584916 0.229193 0.459432
+2686 4 0.427198 0.909983 0.530642
+2687 5 0.390173 0.928642 0.528928
+2688 5 0.448666 0.924254 0.514541
+2689 4 0.790561 0.290779 0.415158
+2690 5 0.826601 0.272334 0.413298
+2691 5 0.766403 0.252341 0.418398
+2722 4 0.468134 0.615888 0.472693
+2723 5 0.432244 0.6041 0.479656
+2724 5 0.47175 0.663955 0.478647
+2728 4 0.115301 0.608776 0.495279
+2729 5 0.131393 0.598427 0.514363
+2730 5 0.130777 0.652567 0.486905
+2737 4 0.709302 0.592259 0.421977
+2738 5 0.683314 0.570127 0.435506
+2739 5 0.744146 0.566096 0.422958
+2752 4 0.576529 0.141419 0.450489
+2755 5 0.597812 0.101101 0.443743
+2757 5 0.54208 0.139701 0.44277
+2758 4 0.469048 0.142208 0.447894
+2759 5 0.441338 0.172445 0.453734
+2760 5 0.455499 0.111923 0.434
+2761 4 0.165903 0.571598 0.541275
+2762 5 0.144794 0.571929 0.558775
+2763 5 0.200786 0.582435 0.547217
+2764 4 0.902549 0.640045 0.585164
+2765 5 0.908794 0.621917 0.566473
+2766 5 0.921169 0.684505 0.586932
+2773 4 0.617726 0.65645 0.514298
+2774 5 0.636808 0.624756 0.527126
+2775 5 0.622771 0.697265 0.52464
+2791 4 0.0430137 0.849302 0.49517
+2792 5 0.0682461 0.866238 0.480328
+2793 5 0.0536018 0.876958 0.511668
+2794 4 0.28858 0.671532 0.509065
+2795 5 0.268497 0.657709 0.49293
+2796 5 0.309625 0.713149 0.504406
+2797 4 0.919987 0.835215 0.534974
+2798 5 0.892776 0.868209 0.542727
+2799 5 0.953225 0.849562 0.543623
+2800 4 0.702475 0.295615 0.478573
+2801 5 0.666196 0.288281 0.485111
+2802 5 0.706695 0.256023 0.465407
+2809 4 0.000766047 0.5091 0.49929
+2810 5 0.961533 0.502617 0.501097
+2811 5 0.0155871 0.463336 0.501655
+2815 4 0.0348426 0.122793 0.55802
+2816 5 0.0663255 0.0935796 0.557608
+2817 5 0.00536859 0.0997929 0.548042
+2818 4 0.189922 0.122374 0.548179
+2819 5 0.189266 0.0793731 0.558117
+2820 5 0.209291 0.155358 0.560294
+2829 5 0.148546 0.459286 0.408054
+2830 4 0.971649 0.496953 0.439454
+2831 5 0.990489 0.533884 0.429468
+2832 5 0.990393 0.505009 0.458451
+2836 4 0.245302 0.470374 0.581583
+2837 5 0.254131 0.5114 0.570963
+2838 5 0.275824 0.440957 0.582543
+2839 4 0.57768 0.693252 0.423681
+2840 5 0.599598 0.712512 0.439191
+2841 5 0.584696 0.643794 0.423939
+2860 4 0.76776 0.551416 0.587092
+2861 5 0.793294 0.530545 0.574416
+2862 5 0.784703 0.59182 0.593749
+2863 4 0.408095 0.712776 0.403201
+2865 5 0.429468 0.735731 0.41853
+2872 4 0.330878 0.946747 0.532139
+2873 5 0.320919 0.934869 0.552349
+2874 5 0.315769 0.992218 0.526488
+2881 4 0.0621593 0.123643 0.468104
+2882 5 0.0964843 0.140292 0.475649
+2883 5 0.0468852 0.158536 0.455317
+2887 4 0.670382 0.466543 0.490994
+2888 5 0.676608 0.479957 0.51093
+2889 5 0.704058 0.455858 0.483645
+2893 4 0.215361 0.00433229 0.431296
+2894 5 0.199056 0.99425 0.450419
+2895 5 0.252364 0.0170669 0.433462
+1 1 0.0694706 0.138745 0.758946
+3 2 0.0655367 0.0493098 0.736631
+5 2 0.00411962 0.167272 0.73914
+7 2 0.113657 0.176064 0.73636
+9 2 0.118943 0.0924378 0.780086
+11 2 0.0144507 0.0918761 0.782924
+13 2 0.0653476 0.21462 0.783817
+15 1 0.120945 0.0128953 0.7582
+17 3 0.0239836 0.04437 0.73624
+19 3 0.988658 0.213618 0.735208
+21 1 0.954736 0.124432 0.764203
+23 3 0.125126 0.183135 0.716471
+25 3 0.152931 0.119739 0.780065
+27 3 0.0201883 0.0407591 0.783168
+31 2 0.174445 0.0356705 0.732305
+33 2 0.172093 0.221307 0.782502
+35 2 0.227173 0.164251 0.738278
+37 2 0.960538 0.0417452 0.737554
+39 2 0.279278 0.197483 0.78159
+41 2 0.238269 0.0779799 0.782891
+43 3 0.180344 0.0314325 0.711708
+45 1 0.230851 0.244938 0.761344
+49 3 0.20167 0.127001 0.735577
+51 3 0.956919 0.0391391 0.716595
+53 3 0.989242 0.223038 0.785827
+57 1 0.149761 0.00487983 0.660095
+59 2 0.14058 0.181995 0.683623
+61 2 0.211944 0.039065 0.681228
+63 2 0.102117 0.0572758 0.68186
+65 2 0.0988049 0.216802 0.637958
+67 2 0.204426 0.217061 0.635788
+69 2 0.146703 0.0825269 0.63613
+71 1 0.0929777 0.132426 0.661624
+73 3 0.17422 0.171459 0.693809
+75 3 0.221712 0.0869342 0.684124
+77 1 0.25966 0.244113 0.661265
+79 3 0.0874203 0.052349 0.702292
+81 3 0.0857848 0.221427 0.618796
+83 3 0.20143 0.168462 0.630053
+85 3 0.151848 0.0920713 0.615828
+87 2 0.0360937 0.16077 0.684508
+89 2 0.0425308 0.0954568 0.637316
+91 2 0.975838 0.0482089 0.680052
+93 2 0.258915 0.164099 0.6825
+95 2 0.267222 0.0788616 0.635449
+97 2 0.979685 0.212589 0.638679
+99 3 0.0277525 0.166278 0.705832
+101 1 0.979359 0.128326 0.660386
+103 3 0.0482874 0.102083 0.616643
+105 3 0.00505038 0.01353 0.680709
+107 3 0.25241 0.172705 0.702623
+109 3 0.260418 0.0791192 0.6145
+111 3 0.990452 0.230133 0.618649
+113 1 0.0642585 0.384812 0.759005
+115 2 0.0699007 0.300042 0.738526
+117 2 0.00727914 0.415013 0.73656
+119 2 0.118115 0.424001 0.739652
+121 2 0.11883 0.343241 0.782168
+123 2 0.0140562 0.336067 0.781176
+125 2 0.065295 0.462145 0.783801
+127 1 0.121544 0.263628 0.760857
+129 3 0.0406016 0.278149 0.728126
+131 3 0.994954 0.460478 0.731868
+133 1 0.951122 0.364413 0.760078
+135 3 0.123842 0.425331 0.718847
+137 3 0.149641 0.373142 0.777812
+139 3 0.0341223 0.292594 0.782085
+143 2 0.180262 0.282578 0.736018
+145 2 0.173682 0.467786 0.78396
+147 2 0.23374 0.416891 0.738398
+149 2 0.951247 0.288379 0.736094
+151 2 0.287764 0.447162 0.783608
+153 2 0.238795 0.32817 0.782593
+155 3 0.186742 0.281404 0.715176
+157 1 0.234261 0.495268 0.760009
+161 3 0.206619 0.381465 0.738435
+163 3 0.963647 0.301044 0.7159
+165 3 0.988917 0.454864 0.79262
+169 1 0.146909 0.26447 0.66193
+171 2 0.145626 0.428852 0.681183
+173 2 0.207428 0.286811 0.679638
+175 2 0.101694 0.311055 0.684341
+177 2 0.0928022 0.471592 0.636234
+179 2 0.203379 0.469099 0.63203
+181 2 0.144796 0.338569 0.637436
+183 1 0.0943265 0.384978 0.659697
+185 3 0.184445 0.434007 0.684403
+187 3 0.211023 0.335808 0.682697
+189 1 0.25506 0.502528 0.654545
+191 3 0.0908246 0.317349 0.703975
+193 3 0.0543435 0.480149 0.630615
+195 3 0.2271 0.469172 0.615241
+197 3 0.181994 0.35118 0.631123
+199 2 0.0387203 0.414474 0.682516
+201 2 0.0384895 0.346106 0.638037
+203 2 0.984469 0.298354 0.683879
+205 2 0.257372 0.421274 0.679472
+207 2 0.263948 0.325084 0.634137
+209 2 0.9726 0.456783 0.636344
+211 3 0.0355966 0.43227 0.702312
+213 1 0.98221 0.382062 0.660853
+215 3 0.0431417 0.296121 0.633998
+217 3 0.0196599 0.277395 0.68005
+219 3 0.260747 0.417199 0.700656
+221 3 0.246757 0.329862 0.615007
+223 3 0.977719 0.467044 0.615624
+225 1 0.0654081 0.630463 0.764076
+227 2 0.0672376 0.54353 0.739638
+229 2 0.000222545 0.661563 0.737269
+231 2 0.105871 0.673002 0.739013
+233 2 0.124969 0.58732 0.782414
+235 2 0.0129837 0.590823 0.785615
+237 2 0.0634993 0.715472 0.783518
+239 1 0.120888 0.504529 0.760876
+241 3 0.0313678 0.5267 0.733469
+243 3 0.997116 0.711163 0.73971
+245 1 0.950973 0.618017 0.757386
+247 3 0.12216 0.672212 0.719035
+249 3 0.159664 0.56534 0.789333
+251 3 0.010227 0.54013 0.788408
+255 2 0.181315 0.53175 0.73558
+257 2 0.167719 0.711619 0.781892
+259 2 0.232646 0.656385 0.740574
+261 2 0.954704 0.534059 0.737565
+263 2 0.280592 0.703412 0.785452
+265 2 0.238817 0.573592 0.785605
+267 3 0.186384 0.529943 0.714145
+269 1 0.227505 0.740969 0.760204
+271 3 0.165754 0.659954 0.784464
+273 3 0.208027 0.61801 0.73989
+275 3 0.964848 0.541063 0.716476
+277 3 0.982202 0.71838 0.783098
+281 1 0.141576 0.515569 0.658374
+283 2 0.140955 0.690292 0.685824
+285 2 0.206688 0.540216 0.679179
+287 2 0.0960352 0.559517 0.681393
+289 2 0.0987143 0.718531 0.639246
+291 2 0.203613 0.719894 0.636328
+293 2 0.148168 0.597567 0.639716
+295 1 0.0927407 0.643093 0.661049
+297 3 0.175002 0.669953 0.693085
+299 3 0.227167 0.582859 0.683773
+301 1 0.266988 0.746426 0.658317
+303 3 0.0870439 0.543374 0.701428
+305 3 0.0988744 0.710937 0.618501
+307 3 0.184119 0.675331 0.635628
+309 3 0.155811 0.585692 0.619602
+311 2 0.0361071 0.676755 0.684964
+313 2 0.0449418 0.610889 0.634694
+315 2 0.981733 0.545661 0.680064
+317 2 0.263389 0.667436 0.681027
+319 2 0.267604 0.585917 0.634234
+321 2 0.972319 0.711247 0.641636
+323 3 0.0272141 0.679653 0.705455
+325 1 0.981471 0.632565 0.660561
+327 3 0.0262021 0.616235 0.615386
+329 3 0.0176607 0.531546 0.672743
+331 3 0.255826 0.672595 0.701708
+333 3 0.2614 0.616679 0.617367
+335 3 0.983244 0.738017 0.624081
+337 1 0.066298 0.88434 0.759866
+339 2 0.0672684 0.798592 0.731322
+341 2 0.00111301 0.909635 0.737991
+343 2 0.109895 0.930711 0.737576
+345 2 0.115903 0.833416 0.77742
+347 2 0.0119991 0.830483 0.779271
+349 2 0.0609614 0.955453 0.784474
+351 1 0.114421 0.753704 0.756507
+353 3 0.0302898 0.810674 0.727245
+355 3 0.985435 0.952966 0.733
+357 1 0.951049 0.866346 0.759164
+359 3 0.130809 0.942609 0.719121
+361 3 0.153082 0.853837 0.776521
+363 3 0.0311308 0.787987 0.784619
+367 2 0.17675 0.773069 0.733427
+369 2 0.173128 0.976805 0.782947
+371 2 0.227457 0.912673 0.740954
+373 2 0.949809 0.789863 0.735006
+375 2 0.280881 0.950019 0.784425
+377 2 0.229474 0.816706 0.781732
+379 3 0.184606 0.782517 0.712666
+381 1 0.229198 0.999502 0.760893
+385 3 0.19352 0.885346 0.741783
+387 3 0.961746 0.799358 0.71462
+389 3 0.986826 0.943643 0.793976
+393 1 0.150683 0.763548 0.663458
+395 2 0.152938 0.926442 0.68197
+397 2 0.20647 0.798162 0.681783
+399 2 0.10236 0.815291 0.68306
+401 2 0.0994751 0.966202 0.637672
+403 2 0.205635 0.96061 0.635744
+405 2 0.153991 0.841061 0.636276
+407 1 0.0957781 0.887267 0.659873
+409 3 0.181437 0.896463 0.687636
+411 3 0.228498 0.839661 0.677969
+413 1 0.262855 0.992576 0.657811
+415 3 0.0881141 0.798263 0.702465
+417 3 0.0718137 0.00298959 0.635973
+419 3 0.193155 0.913606 0.633118
+421 3 0.154758 0.847538 0.614338
+423 2 0.0335008 0.924261 0.681628
+425 2 0.0398217 0.848617 0.637438
+427 2 0.979308 0.795728 0.682544
+429 2 0.262276 0.913619 0.681669
+431 2 0.265661 0.827959 0.63791
+433 2 0.977025 0.95947 0.636676
+435 3 0.0310591 0.924919 0.702757
+437 1 0.980295 0.878913 0.657891
+439 3 0.0440807 0.798271 0.635845
+441 3 0.00818415 0.763094 0.688315
+443 3 0.256646 0.921916 0.702588
+445 3 0.243913 0.830329 0.620602
+447 3 0.976276 0.977317 0.616676
+449 1 0.396282 0.129206 0.756474
+451 2 0.395987 0.0421816 0.738162
+453 2 0.340409 0.153531 0.736617
+455 2 0.445836 0.170081 0.736978
+457 2 0.447526 0.0840565 0.780308
+459 2 0.338909 0.0811675 0.782106
+461 2 0.398157 0.203084 0.782288
+463 1 0.449159 0.00239925 0.760611
+465 3 0.369236 0.0164148 0.726542
+467 3 0.329208 0.200585 0.730199
+469 1 0.285762 0.116744 0.760029
+471 3 0.452929 0.174984 0.715942
+473 3 0.482995 0.108566 0.773808
+475 3 0.362838 0.0404809 0.784898
+479 2 0.511154 0.0302821 0.736635
+481 2 0.510923 0.221214 0.781128
+483 2 0.567535 0.164678 0.736486
+485 2 0.275692 0.0362379 0.737245
+487 2 0.614629 0.206605 0.783929
+489 2 0.569051 0.0729951 0.779229
+491 3 0.526416 0.036884 0.716184
+493 1 0.564976 0.251358 0.759693
+497 3 0.537779 0.13192 0.734937
+499 3 0.283641 0.0432404 0.716056
+501 3 0.306352 0.204323 0.796018
+505 1 0.476862 0.00777151 0.66095
+507 2 0.477969 0.180701 0.684991
+509 2 0.537478 0.0416848 0.682548
+511 2 0.432864 0.0520649 0.684211
+513 2 0.426993 0.210711 0.640979
+515 2 0.527465 0.226059 0.640018
+517 2 0.473717 0.0866177 0.637246
+519 1 0.427377 0.135117 0.663785
+521 3 0.51584 0.167718 0.68572
+523 3 0.564409 0.077247 0.685275
+525 1 0.58777 0.24875 0.65998
+527 3 0.426979 0.0536729 0.705077
+529 3 0.419668 0.207638 0.620031
+531 3 0.528816 0.205408 0.620516
+533 3 0.480295 0.0842724 0.616531
+535 2 0.36969 0.159296 0.68439
+537 2 0.372287 0.0896985 0.635639
+539 2 0.313352 0.0365197 0.679618
+541 2 0.591305 0.167226 0.684204
+543 2 0.592583 0.0806718 0.639217
+545 2 0.314449 0.200722 0.640993
+547 3 0.360646 0.156176 0.705203
+549 1 0.318223 0.119225 0.660133
+551 3 0.393528 0.0549591 0.626297
+553 3 0.351093 0.0218864 0.683422
+555 3 0.580457 0.170386 0.704747
+557 3 0.556932 0.0935644 0.633857
+559 3 0.351668 0.214298 0.640728
+561 1 0.399215 0.381497 0.759651
+563 2 0.402145 0.300285 0.736282
+565 2 0.342871 0.408526 0.737375
+567 2 0.444538 0.424347 0.738276
+569 2 0.456471 0.336111 0.781821
+571 2 0.347561 0.334097 0.783201
+573 2 0.400159 0.460142 0.781579
+575 1 0.454709 0.253632 0.759117
+577 3 0.36483 0.287235 0.739696
+579 3 0.346649 0.458262 0.734014
+581 1 0.291167 0.37328 0.759799
+583 3 0.446837 0.413806 0.716846
+585 3 0.491334 0.357502 0.780547
+587 3 0.352107 0.282544 0.781192
+591 2 0.512072 0.279863 0.733946
+593 2 0.504764 0.473482 0.782932
+595 2 0.568474 0.409174 0.73616
+597 2 0.287289 0.290348 0.736148
+599 2 0.610662 0.459198 0.782043
+601 2 0.571874 0.331439 0.783528
+603 3 0.515572 0.292984 0.712565
+605 1 0.561749 0.500888 0.758537
+609 3 0.533046 0.387663 0.736253
+611 3 0.297547 0.297083 0.715994
+613 3 0.317047 0.442331 0.79662
+617 1 0.473151 0.262201 0.662653
+619 2 0.478447 0.432751 0.682782
+621 2 0.538914 0.302362 0.681828
+623 2 0.426973 0.304739 0.685097
+625 2 0.428063 0.472346 0.638797
+627 2 0.534551 0.476393 0.634996
+629 2 0.46995 0.345402 0.639432
+631 1 0.420391 0.386772 0.66172
+633 3 0.517872 0.424619 0.684967
+635 3 0.548465 0.352115 0.684311
+637 1 0.590771 0.504634 0.656907
+639 3 0.417751 0.302272 0.706599
+641 3 0.430033 0.479802 0.617693
+643 3 0.524661 0.439628 0.620836
+645 3 0.485514 0.346993 0.619343
+647 2 0.365676 0.415909 0.681124
+649 2 0.367183 0.35009 0.634831
+651 2 0.308683 0.293172 0.681715
+653 2 0.590787 0.421017 0.682835
+655 2 0.59242 0.328326 0.635582
+657 2 0.309642 0.461729 0.63503
+659 3 0.360386 0.400803 0.701432
+661 1 0.31048 0.378043 0.653495
+663 3 0.383266 0.31098 0.623635
+665 3 0.344832 0.27419 0.68084
+667 3 0.584299 0.412997 0.704562
+669 3 0.554721 0.329177 0.630041
+671 3 0.344324 0.486046 0.635183
+673 1 0.396236 0.634222 0.757306
+675 2 0.393782 0.545141 0.736397
+677 2 0.336682 0.667935 0.740093
+679 2 0.442895 0.675911 0.732785
+681 2 0.449623 0.591517 0.778897
+683 2 0.343456 0.589488 0.784679
+685 2 0.401134 0.712071 0.781063
+687 1 0.452593 0.506058 0.757247
+689 3 0.352437 0.544455 0.733151
+691 3 0.325653 0.713396 0.731788
+693 1 0.285623 0.62185 0.763085
+695 3 0.451084 0.677341 0.711607
+697 3 0.484574 0.60965 0.773223
+699 3 0.360076 0.544988 0.78748
+703 2 0.508403 0.532896 0.73523
+705 2 0.50554 0.71975 0.780736
+707 2 0.565068 0.67075 0.739787
+709 2 0.290502 0.537697 0.738556
+711 2 0.620873 0.708659 0.783474
+713 2 0.567564 0.585575 0.782778
+715 3 0.521597 0.542304 0.715556
+717 1 0.563453 0.74225 0.761225
+721 3 0.533159 0.652656 0.73093
+723 3 0.279604 0.534338 0.717571
+725 3 0.31716 0.715901 0.790215
+729 1 0.478121 0.509962 0.661464
+731 2 0.481421 0.678975 0.680767
+733 2 0.539638 0.54404 0.680052
+735 2 0.430119 0.561963 0.682335
+737 2 0.422377 0.718727 0.638848
+739 2 0.540718 0.723955 0.634968
+741 2 0.479226 0.595082 0.637024
+743 1 0.426097 0.63523 0.660758
+745 3 0.520683 0.668625 0.679034
+747 3 0.556613 0.588702 0.682308
+749 1 0.595097 0.750407 0.658374
+751 3 0.421346 0.552461 0.702797
+753 3 0.39637 0.759763 0.638445
+755 3 0.55083 0.710192 0.614781
+757 3 0.517912 0.610774 0.63704
+759 2 0.364042 0.66116 0.68292
+761 2 0.376314 0.594625 0.634143
+763 2 0.312852 0.541199 0.680673
+765 2 0.586289 0.667149 0.684376
+767 2 0.599084 0.58502 0.640025
+769 2 0.31291 0.703197 0.633871
+771 3 0.364473 0.656285 0.703962
+773 1 0.317395 0.624428 0.659322
+775 3 0.3977 0.555994 0.626464
+777 3 0.33993 0.506838 0.687637
+779 3 0.586159 0.666514 0.706905
+781 3 0.598467 0.614823 0.622785
+783 3 0.343751 0.718854 0.622405
+785 1 0.391184 0.879593 0.759549
+787 2 0.39351 0.800223 0.737503
+789 2 0.335976 0.91637 0.73885
+791 2 0.443153 0.923143 0.737765
+793 2 0.449578 0.835708 0.782551
+795 2 0.337071 0.839359 0.783797
+797 2 0.394726 0.957379 0.784488
+799 1 0.45354 0.756839 0.757864
+801 3 0.356378 0.78707 0.733702
+803 3 0.317245 0.958043 0.734597
+805 1 0.279878 0.86819 0.763367
+807 3 0.452693 0.93099 0.717151
+809 3 0.484124 0.857716 0.779227
+811 3 0.355964 0.797497 0.790468
+815 2 0.5058 0.790109 0.736103
+817 2 0.503293 0.966323 0.783428
+819 2 0.562582 0.913179 0.740449
+821 2 0.287459 0.792458 0.737307
+823 2 0.614727 0.952474 0.78341
+825 2 0.567386 0.822782 0.781582
+827 3 0.509139 0.786963 0.714781
+829 1 0.559917 0.990522 0.762541
+833 3 0.528717 0.884696 0.738079
+835 3 0.288237 0.801513 0.715865
+837 3 0.317872 0.957822 0.789422
+841 1 0.478941 0.761801 0.660832
+843 2 0.476849 0.924502 0.682865
+845 2 0.535465 0.799677 0.68283
+847 2 0.424078 0.802587 0.683323
+849 2 0.429727 0.964466 0.63691
+851 2 0.534172 0.968387 0.638076
+853 2 0.474786 0.839931 0.638789
+855 1 0.424112 0.885294 0.660624
+857 3 0.513457 0.907502 0.686973
+859 3 0.561345 0.836135 0.687329
+861 1 0.5896 0.996132 0.659819
+863 3 0.415086 0.805442 0.704661
+865 3 0.443265 0.95974 0.616769
+867 3 0.51382 0.965584 0.619102
+869 3 0.474912 0.844497 0.617818
+871 2 0.370841 0.909053 0.683483
+873 2 0.373055 0.843257 0.636086
+875 2 0.317049 0.790059 0.681361
+877 2 0.592604 0.919464 0.683949
+879 2 0.594563 0.838932 0.638721
+881 2 0.316971 0.950253 0.636545
+883 3 0.360027 0.893364 0.702533
+885 1 0.316 0.875045 0.657628
+887 3 0.377949 0.83883 0.6147
+889 3 0.353633 0.772437 0.683348
+891 3 0.584985 0.915123 0.704678
+893 3 0.556852 0.852807 0.639717
+895 3 0.350679 0.967448 0.628641
+897 1 0.732514 0.127996 0.759939
+899 2 0.731281 0.055955 0.737891
+901 2 0.67149 0.172937 0.739532
+903 2 0.780552 0.17958 0.737578
+905 2 0.786853 0.0851815 0.781376
+907 2 0.675845 0.101754 0.784514
+909 2 0.733977 0.219265 0.783008
+911 1 0.784735 0.000706639 0.763598
+913 3 0.69784 0.050015 0.726594
+915 3 0.657395 0.22076 0.741042
+917 1 0.620637 0.117987 0.756914
+919 3 0.796236 0.180066 0.718072
+921 3 0.81898 0.110093 0.785454
+927 2 0.850365 0.0332628 0.738347
+929 2 0.844091 0.21274 0.782119
+931 2 0.8984 0.161274 0.73995
+933 2 0.626617 0.039037 0.737505
+935 2 0.953178 0.20653 0.781749
+937 2 0.912058 0.0711829 0.785346
+939 3 0.841428 0.0380979 0.717575
+941 1 0.897462 0.241278 0.758481
+945 3 0.866527 0.132993 0.734676
+947 3 0.623062 0.0325584 0.717072
+949 3 0.648579 0.199901 0.792939
+953 1 0.815867 0.0182043 0.663401
+955 2 0.813136 0.178509 0.682882
+957 2 0.873252 0.0517988 0.682837
+959 2 0.767032 0.0577768 0.684937
+961 2 0.761047 0.222988 0.640016
+963 2 0.867357 0.221263 0.638805
+965 2 0.813052 0.0905944 0.637998
+967 1 0.759848 0.14051 0.664588
+969 3 0.851365 0.168928 0.685153
+971 3 0.892899 0.095125 0.688315
+973 1 0.92866 0.254187 0.659463
+975 3 0.762843 0.0586847 0.706118
+977 3 0.733103 0.251586 0.633257
+979 3 0.856083 0.171194 0.641259
+981 3 0.828024 0.0770135 0.619476
+983 2 0.69452 0.172238 0.685106
+985 2 0.708501 0.100315 0.640771
+987 2 0.644548 0.0478094 0.684052
+989 2 0.927741 0.172868 0.683649
+991 2 0.930967 0.0899558 0.634437
+993 2 0.638128 0.204954 0.638494
+995 3 0.685554 0.16742 0.706691
+997 1 0.649097 0.129487 0.660542
+999 3 0.724393 0.0709764 0.6253
+1001 3 0.676177 0.0184034 0.68372
+1003 3 0.928606 0.172139 0.704124
+1005 3 0.930792 0.0909678 0.612257
+1007 3 0.650128 0.20808 0.617903
+1009 1 0.736693 0.382362 0.761436
+1011 2 0.734407 0.306072 0.737183
+1013 2 0.672956 0.42162 0.740343
+1015 2 0.787506 0.430775 0.739887
+1017 2 0.788669 0.336725 0.783209
+1019 2 0.681325 0.347038 0.782712
+1021 2 0.734647 0.468421 0.785557
+1023 1 0.789095 0.25218 0.761253
+1025 3 0.705975 0.284994 0.725986
+1027 3 0.666493 0.472523 0.740345
+1029 1 0.617854 0.373888 0.758797
+1031 3 0.797351 0.427526 0.719364
+1033 3 0.82606 0.35111 0.779242
+1035 3 0.688339 0.300086 0.789678
+1039 2 0.846872 0.287369 0.736546
+1041 2 0.847925 0.467336 0.785844
+1043 2 0.9 0.41159 0.739014
+1045 2 0.619412 0.289549 0.73875
+1047 2 0.954427 0.447644 0.784513
+1049 2 0.904512 0.32377 0.782019
+1051 3 0.847156 0.286436 0.715365
+1053 1 0.90311 0.489579 0.761715
+1057 3 0.864793 0.390449 0.73579
+1059 3 0.616063 0.290969 0.717105
+1061 3 0.637939 0.483704 0.794262
+1065 1 0.815637 0.266658 0.66055
+1067 2 0.808324 0.427438 0.686305
+1069 2 0.874474 0.294969 0.683977
+1071 2 0.768937 0.308783 0.682482
+1073 2 0.761358 0.461135 0.637619
+1075 2 0.866672 0.470359 0.637599
+1077 2 0.81702 0.341334 0.636553
+1079 1 0.75542 0.386589 0.660965
+1081 3 0.846733 0.41941 0.691312
+1083 3 0.891919 0.321149 0.699604
+1085 1 0.926566 0.50111 0.658235
+1087 3 0.758027 0.307987 0.703274
+1089 3 0.763523 0.478355 0.61775
+1091 3 0.854406 0.422861 0.633595
+1093 3 0.828523 0.334747 0.616259
+1095 2 0.701156 0.415777 0.683189
+1097 2 0.708228 0.348816 0.637805
+1099 2 0.642537 0.294408 0.681685
+1101 2 0.931391 0.426968 0.682992
+1103 2 0.931962 0.33036 0.639352
+1105 2 0.644201 0.453856 0.63793
+1107 3 0.695242 0.426439 0.703401
+1109 1 0.64451 0.372688 0.661849
+1111 3 0.698541 0.345912 0.616851
+1113 3 0.671269 0.261323 0.685244
+1115 3 0.931025 0.433297 0.704318
+1117 3 0.913001 0.341849 0.622305
+1119 3 0.681185 0.450684 0.632158
+1121 1 0.727412 0.635416 0.758083
+1123 2 0.736061 0.5482 0.739095
+1125 2 0.671469 0.662388 0.737297
+1127 2 0.778541 0.678432 0.738151
+1129 2 0.78787 0.597984 0.782468
+1131 2 0.674023 0.582887 0.782291
+1133 2 0.728184 0.71182 0.782301
+1135 1 0.791748 0.509193 0.761069
+1137 3 0.700483 0.541792 0.729839
+1139 3 0.658121 0.709002 0.734761
+1141 1 0.617961 0.619939 0.759363
+1143 3 0.791761 0.673847 0.718614
+1145 3 0.808926 0.643286 0.786372
+1147 3 0.696497 0.541155 0.783307
+1151 2 0.84636 0.535653 0.737631
+1153 2 0.839261 0.71773 0.783818
+1155 2 0.894781 0.664735 0.737015
+1157 2 0.614596 0.543081 0.737532
+1159 2 0.94526 0.696256 0.782023
+1161 2 0.909735 0.568823 0.781178
+1163 3 0.858726 0.53379 0.716817
+1165 1 0.89736 0.74421 0.7604
+1169 3 0.863149 0.636638 0.739378
+1171 3 0.618079 0.534138 0.716036
+1173 3 0.657567 0.716004 0.790545
+1177 1 0.810434 0.504315 0.661921
+1179 2 0.809364 0.682127 0.686329
+1181 2 0.872339 0.538028 0.683175
+1183 2 0.762173 0.550978 0.685001
+1185 2 0.760722 0.714354 0.641065
+1187 2 0.86572 0.720842 0.640688
+1189 2 0.814211 0.591196 0.640444
+1191 1 0.761228 0.63269 0.662731
+1193 3 0.847284 0.674092 0.690224
+1195 3 0.883344 0.587486 0.682623
+1197 1 0.922766 0.749457 0.663671
+1199 3 0.759356 0.531652 0.705628
+1201 3 0.770203 0.710076 0.620282
+1203 3 0.861584 0.676873 0.630574
+1205 3 0.84862 0.580514 0.631497
+1207 2 0.703339 0.671849 0.685816
+1209 2 0.710544 0.595999 0.642389
+1211 2 0.652905 0.547799 0.683041
+1213 2 0.924503 0.667104 0.683978
+1215 2 0.931164 0.585008 0.635237
+1217 2 0.643678 0.704061 0.641129
+1219 3 0.701186 0.66536 0.707105
+1221 1 0.655609 0.626214 0.664854
+1223 3 0.705097 0.577922 0.62213
+1225 3 0.686216 0.518939 0.680078
+1227 3 0.918745 0.666604 0.705948
+1229 3 0.92434 0.592781 0.615621
+1231 3 0.669193 0.726376 0.628585
+1233 1 0.729665 0.88637 0.760873
+1235 2 0.733662 0.804883 0.73996
+1237 2 0.671945 0.913878 0.74002
+1239 2 0.781322 0.931105 0.73957
+1241 2 0.785234 0.843971 0.784936
+1243 2 0.675061 0.834337 0.78371
+1245 2 0.72869 0.963873 0.783256
+1247 1 0.788676 0.75733 0.759039
+1249 3 0.694284 0.796796 0.740613
+1251 3 0.661226 0.962532 0.739701
+1253 1 0.617146 0.868099 0.761621
+1255 3 0.797011 0.936906 0.719547
+1257 3 0.819463 0.867083 0.781555
+1259 3 0.694323 0.789171 0.78695
+1263 2 0.846218 0.789664 0.738039
+1265 2 0.838203 0.965316 0.785237
+1267 2 0.900157 0.917412 0.739967
+1269 2 0.620064 0.789397 0.73615
+1271 2 0.950781 0.951784 0.786279
+1273 2 0.903547 0.824556 0.782548
+1275 3 0.847767 0.792591 0.7166
+1277 1 0.897523 0.995072 0.763364
+1281 3 0.86798 0.886116 0.738303
+1283 3 0.623459 0.787802 0.71493
+1285 3 0.648139 0.978697 0.783215
+1289 1 0.812184 0.757606 0.663491
+1291 2 0.820901 0.930997 0.687981
+1293 2 0.872167 0.795046 0.684013
+1295 2 0.767296 0.808526 0.688258
+1297 2 0.762438 0.962066 0.644795
+1299 2 0.870961 0.975269 0.637826
+1301 2 0.813773 0.841125 0.643583
+1303 1 0.767271 0.889216 0.667283
+1305 3 0.857918 0.929183 0.694953
+1307 3 0.876728 0.846483 0.682903
+1309 1 0.925007 0.00403311 0.658824
+1311 3 0.754263 0.792361 0.706565
+1313 3 0.755709 0.968826 0.623779
+1315 3 0.87034 0.947813 0.619597
+1317 3 0.847396 0.864771 0.636953
+1319 2 0.703801 0.918178 0.687132
+1321 2 0.704423 0.844561 0.641358
+1323 2 0.642874 0.787184 0.682407
+1325 2 0.927509 0.92522 0.682665
+1327 2 0.929239 0.829694 0.637999
+1329 2 0.645586 0.957253 0.641057
+1331 3 0.688732 0.921741 0.706447
+1333 1 0.652267 0.876079 0.664059
+1335 3 0.719584 0.79614 0.642076
+1337 3 0.670718 0.753256 0.687894
+1339 3 0.934112 0.923996 0.704398
+1341 3 0.909357 0.831912 0.620385
+1343 3 0.683586 0.97222 0.638388
+1359 5 0.119548 0.962195 0.603489
+1391 5 0.867222 0.228448 0.6017
+1425 5 0.355883 0.599809 0.60259
+1485 5 0.0207643 0.874676 0.602913
+1607 5 0.605652 0.0554047 0.602451
+1628 5 0.621828 0.840947 0.611142
+1632 5 0.751185 0.870358 0.607614
+1757 5 0.312027 0.936654 0.602578
+1782 5 0.427308 0.699101 0.607416
+1878 5 0.112662 0.470461 0.606912
+2022 5 0.20827 0.247517 0.604248
+2075 5 0.0240677 0.378291 0.608933
+2148 5 0.353324 0.36858 0.602825
+2175 5 0.765557 0.201723 0.606389
+2291 5 0.21234 0.98832 0.607392
+2307 5 0.308798 0.187844 0.60195
+2330 5 0.622856 0.337745 0.608866
+2606 5 0.864305 0.485473 0.600316
+2619 5 0.616492 0.480471 0.601079
+2 1 0.0149232 0.129134 0.958809
+4 2 0.0114934 0.0438796 0.938154
+6 2 0.953915 0.159954 0.939738
+8 2 0.0589939 0.173346 0.935437
+10 2 0.0681818 0.0790174 0.982121
+12 2 0.95785 0.0913826 0.987173
+14 2 0.015696 0.20301 0.983689
+16 1 0.0652422 0.999257 0.958369
+18 3 0.972874 0.0481925 0.931861
+20 3 0.938484 0.207967 0.94157
+22 1 0.231122 0.121963 0.959199
+24 3 0.0707829 0.172004 0.914858
+28 3 0.960091 0.0469425 0.995755
+29 3 0.0629553 0.21091 0.805351
+30 3 0.978074 0.213255 0.989022
+32 2 0.119507 0.0280781 0.93508
+34 2 0.116219 0.216858 0.983536
+36 2 0.174557 0.164141 0.939145
+38 2 0.22793 0.0494226 0.937412
+40 2 0.223788 0.19818 0.984443
+42 2 0.169645 0.0745448 0.97994
+44 3 0.118372 0.0427519 0.914415
+46 1 0.178612 0.243664 0.960307
+47 3 0.174777 0.213101 0.803946
+48 3 0.107259 0.172542 0.992473
+50 3 0.144813 0.130006 0.939344
+52 3 0.234974 0.049391 0.916145
+55 3 0.227142 0.0789452 0.803728
+56 3 0.132166 0.0844321 0.979921
+58 1 0.0969308 0.00593759 0.861127
+60 2 0.0957056 0.170267 0.882884
+62 2 0.155735 0.0390122 0.883281
+64 2 0.0385518 0.0454318 0.88257
+66 2 0.0420769 0.217315 0.836252
+68 2 0.148176 0.210754 0.839372
+70 2 0.0962234 0.0865765 0.839539
+72 1 0.0396357 0.132853 0.861563
+74 3 0.136504 0.164654 0.883622
+76 3 0.172207 0.0832906 0.887982
+78 1 0.202529 0.246454 0.859276
+80 3 0.0297118 0.0323461 0.90306
+82 3 0.00846969 0.242882 0.838525
+84 3 0.13474 0.164845 0.838605
+86 3 0.0988327 0.0963121 0.818022
+88 2 0.985408 0.166116 0.882525
+90 2 0.984897 0.0947937 0.836847
+92 2 0.256832 0.0406388 0.882212
+94 2 0.203803 0.157563 0.884032
+96 2 0.208001 0.0775979 0.838068
+98 2 0.252546 0.201487 0.838603
+100 3 0.974913 0.162627 0.903238
+102 1 0.263585 0.119107 0.86107
+104 3 0.998085 0.0956843 0.816933
+106 3 0.962511 0.0160305 0.883788
+108 3 0.199645 0.172766 0.903666
+110 3 0.171305 0.097036 0.841189
+112 3 0.253787 0.20099 0.817422
+114 1 0.00950755 0.377876 0.958336
+116 2 0.01436 0.301182 0.933546
+118 2 0.948968 0.411296 0.938172
+120 2 0.0518358 0.429198 0.935666
+122 2 0.0689362 0.339227 0.978298
+124 2 0.956899 0.334089 0.980224
+126 2 0.0118675 0.447529 0.984846
+128 1 0.0664542 0.256469 0.956969
+130 3 0.977035 0.30195 0.926959
+132 3 0.931291 0.456527 0.940486
+134 1 0.225405 0.371151 0.959039
+136 3 0.0561707 0.424021 0.914174
+138 3 0.0891313 0.380879 0.984513
+140 3 0.960431 0.297375 0.995377
+141 3 0.0600556 0.462943 0.805403
+144 2 0.123773 0.283431 0.937333
+146 2 0.118665 0.465928 0.982492
+148 2 0.17355 0.407038 0.935301
+150 2 0.228084 0.294368 0.933381
+152 2 0.22561 0.450508 0.979365
+154 2 0.18209 0.323923 0.983159
+156 3 0.128947 0.28079 0.917092
+158 1 0.179193 0.507439 0.959356
+159 3 0.163374 0.459096 0.804632
+162 3 0.144217 0.373708 0.934297
+164 3 0.230897 0.299351 0.911934
+166 3 0.247409 0.44105 0.996214
+167 3 0.221246 0.329882 0.801596
+168 3 0.154918 0.330729 0.998553
+170 1 0.0956176 0.265117 0.857908
+172 2 0.0840257 0.427513 0.883479
+174 2 0.15342 0.288996 0.881441
+176 2 0.0483238 0.302651 0.879239
+178 2 0.0352328 0.463901 0.838971
+180 2 0.147718 0.456134 0.838056
+182 2 0.0991406 0.342243 0.835255
+184 1 0.0361515 0.386836 0.861065
+186 3 0.116017 0.433131 0.895962
+188 3 0.159089 0.34078 0.883362
+190 1 0.205536 0.497799 0.858971
+192 3 0.0408731 0.298763 0.900041
+194 3 0.00252964 0.493642 0.842116
+196 3 0.130705 0.409723 0.837392
+198 3 0.0986945 0.337047 0.814074
+200 2 0.978972 0.40819 0.884949
+202 2 0.987563 0.3358 0.838345
+204 2 0.260193 0.285199 0.881512
+206 2 0.208589 0.416693 0.885473
+208 2 0.210386 0.326788 0.837222
+210 2 0.253881 0.45022 0.837788
+212 3 0.970436 0.407035 0.90581
+214 1 0.263505 0.371775 0.861402
+216 3 0.00216959 0.335213 0.817698
+218 3 0.953042 0.248312 0.880144
+220 3 0.197546 0.413671 0.906081
+222 3 0.17221 0.331474 0.832997
+224 3 0.252139 0.453124 0.817021
+226 1 0.0153142 0.627571 0.960431
+228 2 0.0145402 0.551992 0.938069
+230 2 0.955864 0.65928 0.935118
+232 2 0.0636128 0.679136 0.938168
+234 2 0.0681943 0.58796 0.98257
+236 2 0.959191 0.592278 0.982888
+238 2 0.0096969 0.708468 0.983098
+240 1 0.0723682 0.499122 0.958467
+242 3 0.976769 0.543108 0.930992
+244 3 0.943982 0.707093 0.932188
+246 1 0.234463 0.629875 0.958709
+248 3 0.0770851 0.689796 0.918216
+250 3 0.0754162 0.629667 0.993896
+253 3 0.0522293 0.70667 0.802979
+254 3 0.970731 0.715787 0.982797
+256 2 0.125765 0.531176 0.937324
+258 2 0.115109 0.718634 0.984187
+260 2 0.173898 0.667106 0.935863
+262 2 0.231757 0.544055 0.935965
+264 2 0.22332 0.705871 0.982865
+266 2 0.179183 0.582496 0.982468
+268 3 0.119855 0.53587 0.915981
+270 1 0.172163 0.741927 0.958283
+274 3 0.144959 0.633918 0.933043
+276 3 0.239762 0.537227 0.915208
+279 3 0.231342 0.573612 0.8074
+280 3 0.151772 0.619309 0.988333
+282 1 0.0917315 0.507069 0.859265
+284 2 0.0920492 0.682475 0.882071
+286 2 0.150056 0.534836 0.880424
+288 2 0.0485047 0.559394 0.882777
+290 2 0.0388964 0.710666 0.837458
+292 2 0.146808 0.713383 0.837087
+294 2 0.0876606 0.584451 0.836425
+296 1 0.0359104 0.632407 0.858129
+298 3 0.128955 0.665461 0.879757
+300 3 0.166938 0.581566 0.882075
+302 1 0.205112 0.741474 0.858275
+304 3 0.0384044 0.558563 0.902993
+306 3 0.00712012 0.741573 0.838605
+308 3 0.144362 0.713164 0.814747
+310 3 0.0994708 0.58986 0.816773
+312 2 0.98383 0.660035 0.882187
+314 2 0.982977 0.585882 0.838153
+316 2 0.261226 0.535222 0.881108
+318 2 0.204006 0.655141 0.882834
+320 2 0.210076 0.57638 0.837462
+322 2 0.254456 0.692265 0.838126
+324 3 0.975753 0.656034 0.903687
+326 1 0.259975 0.619296 0.860247
+328 3 0.990384 0.594404 0.817034
+330 3 0.963384 0.506358 0.886508
+332 3 0.185279 0.663142 0.90189
+334 3 0.179561 0.60747 0.834965
+336 3 0.260388 0.692509 0.816478
+338 1 0.00718715 0.881746 0.95682
+340 2 0.00546234 0.797549 0.938171
+342 2 0.950094 0.913028 0.93709
+344 2 0.0622241 0.916652 0.934563
+346 2 0.0615247 0.832855 0.982822
+348 2 0.947118 0.848441 0.982631
+350 2 0.014868 0.955785 0.981781
+352 1 0.0673561 0.757381 0.959389
+354 3 0.967019 0.785788 0.934916
+356 3 0.935049 0.959119 0.934205
+358 1 0.234515 0.872011 0.957812
+360 3 0.069536 0.910019 0.913784
+364 3 0.953472 0.807568 0.993713
+365 3 0.0656027 0.954406 0.806727
+368 2 0.122366 0.787174 0.936199
+370 2 0.119773 0.952445 0.981268
+372 2 0.177824 0.90994 0.935898
+374 2 0.236946 0.792386 0.934878
+376 2 0.228815 0.950887 0.982491
+378 2 0.179153 0.82968 0.980834
+380 3 0.134161 0.791786 0.9158
+382 1 0.178297 0.99308 0.95781
+383 3 0.167069 0.968639 0.803432
+384 3 0.0950182 0.914327 0.986281
+386 3 0.143215 0.888742 0.931867
+388 3 0.242886 0.798928 0.913838
+390 3 0.262794 0.94637 0.993511
+391 3 0.217754 0.815657 0.802232
+392 3 0.143839 0.848443 0.983223
+394 1 0.0975231 0.758333 0.860174
+396 2 0.0952538 0.925119 0.882458
+398 2 0.15613 0.78411 0.881738
+400 2 0.0497619 0.804216 0.882844
+402 2 0.0418703 0.963481 0.839951
+404 2 0.14747 0.959942 0.840241
+406 2 0.096197 0.835774 0.834167
+408 1 0.0403891 0.882422 0.863659
+410 3 0.13273 0.92448 0.889492
+412 3 0.163302 0.833068 0.876629
+414 1 0.204587 0.992733 0.859184
+416 3 0.0400171 0.793023 0.904319
+418 3 0.015048 0.999762 0.838972
+420 3 0.128883 0.916621 0.834793
+422 3 0.092112 0.830205 0.813032
+424 2 0.980509 0.90698 0.885777
+426 2 0.99037 0.84457 0.837267
+428 2 0.264415 0.786722 0.88194
+430 2 0.212091 0.912294 0.882334
+432 2 0.205325 0.823265 0.839114
+434 2 0.255325 0.94713 0.838784
+436 3 0.973849 0.901776 0.906714
+438 1 0.262895 0.871901 0.859648
+440 3 0.993599 0.848984 0.816321
+442 3 0.968063 0.759486 0.883774
+444 3 0.20818 0.912701 0.903998
+446 3 0.173199 0.840015 0.829469
+448 3 0.267417 0.959644 0.818424
+450 1 0.344908 0.129895 0.959
+452 2 0.339595 0.044633 0.936338
+454 2 0.286017 0.159747 0.938566
+456 2 0.389309 0.17805 0.935297
+458 2 0.390619 0.0778892 0.979302
+460 2 0.285614 0.0898587 0.983677
+462 2 0.349981 0.207958 0.981467
+464 1 0.389638 0.999775 0.959748
+466 3 0.306973 0.0497302 0.923489
+468 3 0.292323 0.209275 0.942645
+470 1 0.560673 0.11744 0.960477
+472 3 0.392183 0.18966 0.914941
+474 3 0.387465 0.0881998 0.999855
+476 3 0.287789 0.039224 0.98084
+477 3 0.396754 0.203686 0.803609
+478 3 0.318962 0.227367 0.991811
+480 2 0.454363 0.0276503 0.937226
+482 2 0.451926 0.218745 0.982621
+484 2 0.510664 0.163528 0.937573
+486 2 0.558731 0.0373477 0.938048
+488 2 0.558695 0.192214 0.98384
+490 2 0.511675 0.0740402 0.981855
+492 3 0.463649 0.0431429 0.917433
+494 1 0.509208 0.243058 0.958655
+495 3 0.503157 0.210662 0.802251
+496 3 0.424277 0.197617 0.994587
+498 3 0.473359 0.143484 0.937332
+500 3 0.571272 0.0356999 0.917279
+503 3 0.563307 0.0804989 0.800146
+504 3 0.479432 0.098803 0.987786
+506 1 0.424024 0.00883106 0.861129
+508 2 0.420119 0.174843 0.881341
+510 2 0.490191 0.0351683 0.880209
+512 2 0.37606 0.0547308 0.882495
+514 2 0.37114 0.210886 0.838643
+516 2 0.490369 0.207588 0.834393
+518 2 0.426627 0.086522 0.835979
+520 1 0.369021 0.129789 0.861218
+522 3 0.458921 0.16556 0.883046
+524 3 0.502617 0.0811709 0.886042
+526 1 0.544955 0.238042 0.860651
+528 3 0.371871 0.0577009 0.904224
+530 3 0.343362 0.239812 0.83017
+532 3 0.480311 0.160163 0.830814
+534 3 0.426164 0.0849893 0.81428
+536 2 0.310625 0.163201 0.884755
+538 2 0.315928 0.0923061 0.839217
+540 2 0.598662 0.0303236 0.88408
+542 2 0.536749 0.155778 0.8817
+544 2 0.544424 0.0646267 0.835023
+546 2 0.592354 0.189729 0.83719
+548 3 0.302213 0.165788 0.905611
+550 1 0.592205 0.113315 0.857267
+552 3 0.322869 0.0787046 0.819053
+554 3 0.282046 0.00491396 0.887417
+556 3 0.541078 0.156515 0.902984
+558 3 0.51138 0.0534512 0.825579
+560 3 0.593848 0.196641 0.815818
+562 1 0.339559 0.379423 0.957329
+564 2 0.335308 0.299317 0.933612
+566 2 0.282354 0.417726 0.934535
+568 2 0.392895 0.418806 0.934819
+570 2 0.398718 0.336227 0.975893
+572 2 0.285173 0.345156 0.979852
+574 2 0.34536 0.462825 0.979367
+576 1 0.394566 0.256848 0.956421
+578 3 0.296444 0.300606 0.930509
+580 3 0.268445 0.4663 0.937433
+582 1 0.569997 0.360797 0.958445
+584 3 0.408105 0.424508 0.915295
+586 3 0.419181 0.379809 0.972395
+588 3 0.2852 0.32574 0.99861
+589 3 0.402894 0.461467 0.803379
+592 2 0.452979 0.284794 0.93485
+594 2 0.449037 0.464165 0.98175
+596 2 0.513949 0.404584 0.940443
+598 2 0.563939 0.29181 0.934857
+600 2 0.553752 0.44198 0.98653
+602 2 0.517174 0.319503 0.980662
+604 3 0.447996 0.284211 0.913577
+606 1 0.510557 0.488427 0.959541
+607 3 0.496777 0.462483 0.803576
+610 3 0.490017 0.367904 0.933481
+612 3 0.575313 0.284884 0.914581
+615 3 0.567657 0.329243 0.8043
+616 3 0.503329 0.363716 0.987853
+618 1 0.429564 0.253353 0.857661
+620 2 0.428837 0.42099 0.885999
+622 2 0.484566 0.28226 0.879013
+624 2 0.384578 0.296875 0.884102
+626 2 0.373325 0.458583 0.840467
+628 2 0.479502 0.456409 0.839317
+630 2 0.429986 0.33389 0.83726
+632 1 0.376814 0.37409 0.864274
+634 3 0.467137 0.413846 0.889813
+636 3 0.500695 0.329722 0.878784
+638 1 0.53654 0.496762 0.858503
+640 3 0.368269 0.290651 0.902683
+642 3 0.337783 0.478218 0.845118
+644 3 0.466595 0.406563 0.836864
+646 3 0.435524 0.337364 0.816233
+648 2 0.318562 0.409994 0.881465
+650 2 0.321295 0.338082 0.839607
+652 2 0.594551 0.28865 0.881588
+654 2 0.538336 0.401203 0.882783
+656 2 0.54565 0.324503 0.837032
+658 2 0.585061 0.452452 0.835704
+660 3 0.311314 0.413378 0.903593
+662 1 0.592684 0.370853 0.857749
+664 3 0.329153 0.341952 0.819556
+666 3 0.288077 0.24931 0.88098
+668 3 0.537742 0.40136 0.903565
+670 3 0.512553 0.320498 0.826571
+672 3 0.596002 0.451521 0.814838
+674 1 0.346315 0.632995 0.957135
+676 2 0.344734 0.550578 0.931896
+678 2 0.281922 0.67322 0.936891
+680 2 0.394678 0.673066 0.934537
+682 2 0.395694 0.58281 0.977779
+684 2 0.288215 0.592104 0.978329
+686 2 0.347716 0.704741 0.981615
+688 1 0.399235 0.50183 0.955462
+690 3 0.306736 0.537343 0.928354
+692 3 0.270781 0.722129 0.933874
+694 1 0.566518 0.616543 0.961865
+696 3 0.406007 0.675716 0.91395
+698 3 0.430821 0.603474 0.977907
+700 3 0.289974 0.542172 0.974523
+701 3 0.390888 0.713701 0.801036
+704 2 0.458619 0.532558 0.934518
+706 2 0.453847 0.711675 0.98115
+708 2 0.514109 0.66154 0.938067
+710 2 0.566211 0.531949 0.939073
+712 2 0.560281 0.695858 0.984184
+714 2 0.511516 0.573234 0.98162
+716 3 0.46217 0.537887 0.912858
+718 1 0.517329 0.745291 0.959288
+719 3 0.499089 0.712796 0.801487
+722 3 0.481998 0.633223 0.936125
+724 3 0.576911 0.527787 0.918764
+726 3 0.580735 0.729784 0.996447
+727 3 0.554424 0.57467 0.802249
+730 1 0.427788 0.504956 0.857413
+732 2 0.425737 0.674664 0.880542
+734 2 0.483501 0.538855 0.880504
+736 2 0.381706 0.550841 0.880146
+738 2 0.36864 0.711963 0.83857
+740 2 0.477819 0.714258 0.835117
+742 2 0.428079 0.585379 0.83556
+744 1 0.369473 0.625578 0.861986
+746 3 0.463239 0.665232 0.887163
+748 3 0.500733 0.587536 0.880639
+750 1 0.536644 0.739211 0.85915
+752 3 0.375142 0.538335 0.900766
+754 3 0.333417 0.736698 0.836506
+756 3 0.459338 0.669205 0.836705
+758 3 0.428509 0.591443 0.813439
+760 2 0.315926 0.653609 0.884011
+762 2 0.319329 0.588118 0.838074
+764 2 0.587892 0.530371 0.881905
+766 2 0.539908 0.659571 0.883788
+768 2 0.538828 0.573728 0.837549
+770 2 0.585711 0.696073 0.835418
+772 3 0.310479 0.658954 0.904574
+774 1 0.592836 0.614844 0.857783
+776 3 0.323137 0.590078 0.815959
+778 3 0.290005 0.500042 0.880825
+780 3 0.539224 0.662985 0.905557
+782 3 0.501159 0.586354 0.831895
+784 3 0.596261 0.695794 0.814115
+786 1 0.349826 0.873733 0.95976
+788 2 0.345534 0.800208 0.936234
+790 2 0.287125 0.916763 0.93695
+792 2 0.389798 0.923801 0.935729
+794 2 0.39995 0.832472 0.979346
+796 2 0.288079 0.834745 0.980701
+798 2 0.339044 0.954617 0.982232
+800 1 0.404887 0.754403 0.956829
+802 3 0.306271 0.799446 0.929481
+804 3 0.299725 0.964329 0.939387
+806 1 0.565128 0.876702 0.963523
+808 3 0.398176 0.931881 0.915909
+810 3 0.41335 0.834896 0.999633
+812 3 0.286658 0.784299 0.978723
+813 3 0.388508 0.955946 0.805946
+816 2 0.461287 0.783747 0.935677
+818 2 0.443813 0.964131 0.982238
+820 2 0.508155 0.904942 0.939987
+822 2 0.570277 0.790858 0.937315
+824 2 0.550883 0.952808 0.983861
+826 2 0.52024 0.823624 0.98363
+828 3 0.461743 0.787914 0.914205
+830 1 0.504195 0.997912 0.959545
+831 3 0.494514 0.960047 0.804261
+832 3 0.451012 0.916057 0.977386
+834 3 0.482217 0.868651 0.935738
+836 3 0.575117 0.803201 0.917367
+839 3 0.55451 0.823314 0.801808
+842 1 0.424584 0.753744 0.858414
+844 2 0.425067 0.930784 0.882748
+846 2 0.486508 0.784671 0.879726
+848 2 0.381371 0.800645 0.882985
+850 2 0.368809 0.958789 0.836019
+852 2 0.475803 0.960994 0.8356
+854 2 0.425176 0.839192 0.837162
+856 1 0.371969 0.879939 0.861113
+858 3 0.459914 0.910539 0.886245
+860 3 0.508589 0.827433 0.88487
+862 1 0.53956 0.984717 0.862486
+864 3 0.363759 0.797129 0.902592
+866 3 0.332069 0.973313 0.840443
+868 3 0.464498 0.911829 0.836318
+870 3 0.435547 0.838925 0.816138
+872 2 0.318281 0.914559 0.882229
+874 2 0.318624 0.839065 0.835944
+876 2 0.590664 0.783368 0.88228
+878 2 0.537529 0.906193 0.884221
+880 2 0.542833 0.824176 0.837009
+882 2 0.589414 0.945095 0.839326
+884 3 0.311806 0.903784 0.902635
+886 1 0.592803 0.861906 0.859992
+888 3 0.324662 0.847406 0.814582
+890 3 0.294735 0.75441 0.884892
+892 3 0.534503 0.91127 0.905318
+894 3 0.505545 0.840577 0.836432
+896 3 0.591657 0.950557 0.818072
+898 1 0.669591 0.129981 0.95607
+900 2 0.684352 0.0517738 0.936372
+902 2 0.612372 0.169175 0.937004
+904 2 0.722031 0.176619 0.93571
+906 2 0.730509 0.0902723 0.980842
+908 2 0.621177 0.0835943 0.977197
+910 2 0.662017 0.212498 0.984629
+912 1 0.733747 0.0087725 0.96015
+914 3 0.660959 0.0116404 0.931036
+916 3 0.595818 0.215925 0.939392
+918 1 0.905834 0.116618 0.964601
+920 3 0.736744 0.168337 0.916336
+922 3 0.75806 0.127657 0.980437
+923 3 0.663576 0.10708 0.805103
+924 3 0.627987 0.0336145 0.980107
+925 3 0.731439 0.219867 0.804108
+926 3 0.625807 0.197073 0.988554
+928 2 0.7935 0.0407306 0.938507
+930 2 0.784298 0.210263 0.979996
+932 2 0.847043 0.157297 0.938435
+934 2 0.900317 0.039335 0.939771
+936 2 0.894372 0.203816 0.981617
+938 2 0.850912 0.0814805 0.985061
+940 3 0.801391 0.0364291 0.916869
+942 1 0.843245 0.24025 0.957276
+943 3 0.829264 0.212106 0.802249
+944 3 0.788906 0.185746 0.998844
+946 3 0.816965 0.124327 0.940775
+948 3 0.904355 0.042184 0.919027
+950 3 0.909836 0.237046 0.996455
+951 3 0.892617 0.0587358 0.802957
+954 1 0.760144 0.00922842 0.861
+956 2 0.756671 0.171434 0.883511
+958 2 0.822375 0.0334296 0.88557
+960 2 0.716176 0.0495697 0.884444
+962 2 0.699292 0.212841 0.843993
+964 2 0.808581 0.209274 0.835482
+966 2 0.760973 0.0894351 0.837003
+968 1 0.703529 0.132029 0.862222
+970 3 0.793619 0.1593 0.884187
+972 3 0.829491 0.0838695 0.890584
+974 1 0.865187 0.241344 0.855354
+976 3 0.703767 0.0574388 0.904084
+978 3 0.659772 0.220984 0.841774
+980 3 0.788663 0.165397 0.833209
+982 3 0.761786 0.081713 0.815098
+984 2 0.646769 0.15459 0.885213
+986 2 0.65631 0.0875456 0.838955
+988 2 0.928649 0.0424747 0.881605
+990 2 0.872502 0.164448 0.882582
+992 2 0.874437 0.0747292 0.83801
+994 2 0.919901 0.195637 0.836243
+996 3 0.640342 0.163887 0.905935
+998 1 0.924828 0.120741 0.856965
+1000 3 0.663 0.0382476 0.839077
+1002 3 0.63155 0.00170751 0.884302
+1004 3 0.867533 0.163467 0.904278
+1006 3 0.842494 0.0970889 0.829811
+1008 3 0.933001 0.203377 0.815555
+1010 1 0.677654 0.378908 0.958852
+1012 2 0.679736 0.298702 0.935055
+1014 2 0.622814 0.414706 0.93741
+1016 2 0.721146 0.430401 0.935444
+1018 2 0.735579 0.333515 0.976534
+1020 2 0.623017 0.336949 0.97969
+1022 2 0.681193 0.453942 0.986338
+1024 1 0.732995 0.257616 0.953928
+1026 3 0.648446 0.303268 0.922856
+1028 3 0.6063 0.456749 0.944779
+1030 1 0.898241 0.366275 0.96141
+1032 3 0.735611 0.433379 0.915399
+1034 3 0.760727 0.373448 0.978682
+1036 3 0.633775 0.286058 0.983427
+1037 3 0.721701 0.459596 0.806217
+1040 2 0.789944 0.282434 0.932912
+1042 2 0.786668 0.472544 0.983519
+1044 2 0.843941 0.418403 0.938707
+1046 2 0.896073 0.2887 0.937541
+1048 2 0.893407 0.452007 0.981673
+1050 2 0.84647 0.323155 0.983239
+1052 3 0.794825 0.291247 0.911931
+1054 1 0.84511 0.495 0.95891
+1055 3 0.835391 0.46747 0.806828
+1058 3 0.808771 0.393821 0.936753
+1060 3 0.896934 0.286309 0.915352
+1062 3 0.93144 0.455441 0.989324
+1063 3 0.899602 0.332418 0.802959
+1064 3 0.825693 0.346666 0.997766
+1066 1 0.75647 0.260676 0.858461
+1068 2 0.759842 0.428311 0.885028
+1070 2 0.819183 0.289755 0.878981
+1072 2 0.711009 0.305453 0.881887
+1074 2 0.707443 0.462596 0.840368
+1076 2 0.816474 0.462756 0.837451
+1078 2 0.759816 0.334281 0.836175
+1080 1 0.706126 0.386667 0.863605
+1082 3 0.798949 0.413637 0.885745
+1084 3 0.835372 0.336412 0.879059
+1086 1 0.877094 0.497521 0.859811
+1088 3 0.700897 0.299349 0.90306
+1090 3 0.67601 0.49321 0.837719
+1092 3 0.809437 0.414971 0.831033
+1094 3 0.773052 0.336932 0.815891
+1096 2 0.645047 0.40917 0.884877
+1098 2 0.647109 0.342671 0.836792
+1100 2 0.925517 0.286406 0.882235
+1102 2 0.869912 0.410424 0.883721
+1104 2 0.872697 0.324036 0.834182
+1106 2 0.923664 0.448449 0.838442
+1108 3 0.643866 0.420283 0.906516
+1110 1 0.931814 0.370887 0.858397
+1112 3 0.661291 0.34347 0.817518
+1114 3 0.629446 0.266652 0.885557
+1116 3 0.861955 0.408746 0.905238
+1118 3 0.84718 0.329234 0.817997
+1120 3 0.930486 0.449903 0.817184
+1122 1 0.673856 0.634185 0.958327
+1124 2 0.685127 0.550181 0.936633
+1126 2 0.615848 0.662854 0.938122
+1128 2 0.72424 0.676863 0.932388
+1130 2 0.739675 0.59464 0.977116
+1132 2 0.623628 0.584609 0.983383
+1134 2 0.678827 0.710833 0.977743
+1136 1 0.733697 0.50942 0.960477
+1138 3 0.661161 0.551047 0.918949
+1140 3 0.597098 0.7087 0.934941
+1142 1 0.906065 0.618887 0.960138
+1144 3 0.733723 0.678031 0.912184
+1146 3 0.76985 0.6237 0.969667
+1148 3 0.621817 0.535404 0.988252
+1149 3 0.732702 0.709632 0.803881
+1150 3 0.650418 0.724082 0.990457
+1152 2 0.79352 0.53574 0.935319
+1154 2 0.789759 0.711412 0.978589
+1156 2 0.846709 0.661175 0.93557
+1158 2 0.904335 0.53865 0.937795
+1160 2 0.900647 0.703075 0.97895
+1162 2 0.853819 0.577456 0.982324
+1164 3 0.802184 0.526531 0.914385
+1166 1 0.848259 0.743833 0.955933
+1167 3 0.842058 0.719828 0.804626
+1168 3 0.772853 0.696857 0.996981
+1170 3 0.820699 0.623556 0.936268
+1172 3 0.911019 0.543821 0.916615
+1174 3 0.891417 0.70238 0.999718
+1175 3 0.899063 0.576998 0.801523
+1178 1 0.76365 0.510017 0.860413
+1180 2 0.76261 0.672866 0.88136
+1182 2 0.820481 0.539813 0.880868
+1184 2 0.714079 0.550177 0.883868
+1186 2 0.711153 0.711228 0.838938
+1188 2 0.817817 0.71075 0.839019
+1190 2 0.758893 0.581995 0.835943
+1192 1 0.704428 0.628261 0.860671
+1194 3 0.794274 0.660061 0.893048
+1196 3 0.826692 0.583742 0.889758
+1198 1 0.87752 0.74138 0.858217
+1200 3 0.713412 0.548045 0.905175
+1202 3 0.680354 0.742206 0.839974
+1204 3 0.811408 0.662206 0.841262
+1206 3 0.759629 0.591371 0.814822
+1208 2 0.648086 0.659253 0.881353
+1210 2 0.652421 0.589027 0.838054
+1212 2 0.933688 0.540885 0.885461
+1214 2 0.877323 0.663672 0.883064
+1216 2 0.875661 0.568555 0.83476
+1218 2 0.924329 0.694356 0.835965
+1220 3 0.641511 0.669963 0.901827
+1222 1 0.93293 0.620073 0.861515
+1224 3 0.657198 0.583471 0.816148
+1226 3 0.615176 0.493703 0.884327
+1228 3 0.868697 0.672137 0.903519
+1230 3 0.84193 0.572703 0.824282
+1232 3 0.931766 0.68903 0.814704
+1234 1 0.678534 0.882932 0.960272
+1236 2 0.679351 0.805267 0.938087
+1238 2 0.619504 0.925717 0.939063
+1240 2 0.729609 0.930694 0.938725
+1242 2 0.733914 0.835001 0.981991
+1244 2 0.627979 0.852965 0.983838
+1246 2 0.68136 0.969858 0.983444
+1248 1 0.733839 0.759624 0.95594
+1250 3 0.643095 0.788911 0.933827
+1252 3 0.603365 0.97195 0.935907
+1254 1 0.894188 0.87679 0.963696
+1256 3 0.740285 0.936307 0.918169
+1261 3 0.716461 0.968302 0.803269
+1264 2 0.794958 0.788285 0.933786
+1266 2 0.787121 0.971522 0.983933
+1268 2 0.847483 0.9187 0.940648
+1270 2 0.902529 0.786126 0.936868
+1272 2 0.88904 0.95923 0.986648
+1274 2 0.841934 0.823171 0.983877
+1276 3 0.793296 0.789987 0.912982
+1278 1 0.842094 0.00340172 0.962252
+1279 3 0.831205 0.956936 0.806611
+1282 3 0.810463 0.900187 0.938582
+1284 3 0.907129 0.793778 0.915586
+1287 3 0.898108 0.825839 0.803389
+1288 3 0.804388 0.837772 0.983529
+1290 1 0.766889 0.754037 0.86098
+1292 2 0.759377 0.927676 0.882504
+1294 2 0.827558 0.790431 0.880078
+1296 2 0.718225 0.795603 0.887349
+1298 2 0.701458 0.95539 0.839455
+1300 2 0.814869 0.960529 0.838935
+1302 2 0.76164 0.836576 0.840702
+1304 1 0.708857 0.875553 0.866913
+1306 3 0.796923 0.919683 0.887497
+1308 3 0.844527 0.838658 0.880931
+1310 1 0.873786 0.992483 0.861738
+1312 3 0.706434 0.800542 0.908325
+1314 3 0.666003 0.942004 0.832722
+1316 3 0.79943 0.915059 0.83896
+1318 3 0.763024 0.841575 0.819556
+1320 2 0.644007 0.898862 0.885854
+1322 2 0.653234 0.837041 0.839125
+1324 2 0.934854 0.785233 0.878389
+1326 2 0.870754 0.908542 0.884215
+1328 2 0.877424 0.818029 0.835158
+1330 2 0.918889 0.942428 0.837689
+1332 3 0.632308 0.909693 0.90623
+1334 1 0.931415 0.866284 0.858676
+1336 3 0.666046 0.839281 0.819329
+1338 3 0.62467 0.757498 0.883611
+1340 3 0.876599 0.9153 0.905547
+1342 3 0.842145 0.831792 0.829474
+1344 3 0.926216 0.941066 0.816975
+ITEM: TIMESTEP
+1000
+ITEM: NUMBER OF ATOMS
+2898
+ITEM: BOX BOUNDS
+0 26.052
+0 20.312
+0 48.3627
+ITEM: ATOMS
+26 3 0.0668533 0.0778465 0.00310598
+54 3 0.237693 0.222509 0.00156725
+142 3 0.0140737 0.481763 0.000170875
+160 3 0.134015 0.459289 0.00206324
+252 3 0.966495 0.571223 0.00169068
+272 3 0.129098 0.730865 0.00343659
+278 3 0.220816 0.713949 0.00357569
+362 3 0.0488053 0.826149 0.00249795
+366 3 0.00662826 0.962164 0.00272553
+502 3 0.553523 0.204059 0.00447076
+590 3 0.342666 0.463793 0.000276831
+608 3 0.456725 0.460986 0.00260577
+614 3 0.574062 0.453423 0.00446896
+702 3 0.344832 0.710873 0.00288383
+720 3 0.449625 0.715553 0.00223446
+728 3 0.507126 0.585772 0.00173881
+814 3 0.339705 0.942305 0.00252622
+838 3 0.55975 0.980211 0.00181606
+840 3 0.497837 0.823965 0.000709095
+952 3 0.834595 0.107159 0.00139909
+1038 3 0.660432 0.457368 0.00421195
+1056 3 0.786539 0.477704 0.00480874
+1176 3 0.83487 0.5844 0.00120384
+1258 3 0.737605 0.848573 0.00227484
+1260 3 0.627259 0.821162 0.000751242
+1262 3 0.670398 0.958497 0.0036515
+1280 3 0.771506 0.945592 0.000333715
+1286 3 0.908647 0.962154 0.00444579
+1345 4 0.0524937 0.585472 0.178744
+1346 5 0.0174298 0.602415 0.169855
+1347 5 0.0797216 0.612001 0.168507
+1348 4 0.296345 0.986432 0.052681
+1349 5 0.308921 0.93992 0.0491862
+1350 5 0.307552 0.00187151 0.0720446
+1360 4 0.075195 0.756483 0.181966
+1361 5 0.0901689 0.713383 0.174436
+1362 5 0.0456745 0.749549 0.195798
+1369 4 0.643039 0.967006 0.153821
+1370 5 0.638383 0.947858 0.173185
+1371 5 0.673697 0.944268 0.145944
+1381 4 0.921328 0.626484 0.0886577
+1382 5 0.957967 0.612413 0.0825345
+1383 5 0.907948 0.66147 0.0749521
+1384 4 0.915021 0.0142121 0.0565412
+1385 5 0.951521 0.0100226 0.0500459
+1386 5 0.910453 0.96788 0.0628721
+1408 4 0.262928 0.536783 0.0820562
+1409 5 0.252243 0.489188 0.0850796
+1410 5 0.258433 0.549169 0.0618943
+1411 4 0.815307 0.590746 0.0456627
+1412 5 0.783626 0.619741 0.0483013
+1413 5 0.807602 0.550029 0.0557937
+1417 4 0.180961 0.98633 0.0379115
+1418 5 0.157239 0.0160673 0.0281569
+1419 5 0.211 0.990467 0.0240969
+1429 4 0.865238 0.455057 0.0373074
+1430 5 0.896826 0.479449 0.0435304
+1431 5 0.872382 0.457059 0.0170016
+1450 4 0.452532 0.807838 0.159345
+1451 5 0.438945 0.82774 0.142101
+1452 5 0.491401 0.80861 0.158834
+1453 4 0.470836 0.440377 0.167709
+1454 5 0.499826 0.408726 0.163164
+1455 5 0.481085 0.458852 0.186619
+1465 4 0.472931 0.45942 0.0375497
+1466 5 0.490951 0.452001 0.055873
+1467 5 0.475797 0.509993 0.0355158
+1468 4 0.0841691 0.0969575 0.0447517
+1469 5 0.116817 0.123358 0.0406543
+1470 5 0.0568861 0.131334 0.0503457
+1477 4 0.228719 0.100657 0.111274
+1478 5 0.20952 0.0568266 0.110468
+1479 5 0.264042 0.0891006 0.104238
+1480 4 0.916494 0.472422 0.113823
+1481 5 0.955328 0.473199 0.117607
+1482 5 0.915193 0.465746 0.0925794
+1492 4 0.395308 0.90737 0.183382
+1493 5 0.413622 0.867805 0.174483
+1494 5 0.420231 0.933893 0.194832
+1498 4 0.165244 0.750285 0.032774
+1499 5 0.18489 0.794023 0.0325442
+1500 5 0.154125 0.752707 0.0528502
+1519 4 0.080719 0.045343 0.146486
+1520 5 0.0492557 0.0392146 0.158111
+1521 5 0.110934 0.0310809 0.158138
+1522 4 0.793993 0.651225 0.185941
+1523 5 0.816772 0.613313 0.18968
+1524 5 0.759087 0.631003 0.191277
+1531 4 0.241155 0.805112 0.0798599
+1532 5 0.249451 0.826082 0.0619347
+1533 5 0.246541 0.755275 0.0777675
+1537 4 0.60581 0.69401 0.124051
+1538 5 0.582457 0.731912 0.127556
+1539 5 0.581009 0.65471 0.127999
+1549 4 0.681628 0.812308 0.122795
+1550 5 0.689292 0.841647 0.139951
+1551 5 0.670689 0.764949 0.127048
+1552 4 0.726435 0.894509 0.158309
+1553 5 0.736826 0.852354 0.168756
+1554 5 0.74043 0.932602 0.169688
+1558 4 0.577459 0.23005 0.124956
+1559 5 0.567289 0.18647 0.133681
+1560 5 0.601274 0.221156 0.108442
+1561 4 0.0409683 0.321314 0.036854
+1562 5 0.0425748 0.315504 0.0165019
+1563 5 0.0450428 0.27545 0.0449045
+1568 5 0.420643 0.776833 0.196781
+1573 4 0.304319 0.304451 0.108536
+1574 5 0.332742 0.334065 0.0992586
+1575 5 0.303847 0.263066 0.0977355
+1576 4 0.579074 0.924875 0.112484
+1577 5 0.598715 0.942634 0.129275
+1578 5 0.597579 0.94495 0.0955075
+1582 4 0.897188 0.884599 0.0802643
+1583 5 0.880746 0.85901 0.0638863
+1584 5 0.867543 0.884852 0.0938144
+1591 4 0.867055 0.802902 0.191144
+1592 5 0.886035 0.84132 0.181521
+1593 5 0.870573 0.766708 0.176729
+1597 4 0.341616 0.0180051 0.158167
+1598 5 0.375725 0.0436881 0.156843
+1599 5 0.35667 0.982457 0.171416
+1600 4 0.121987 0.215445 0.184714
+1601 5 0.155957 0.200018 0.175253
+1602 5 0.0967723 0.225142 0.169207
+1603 4 0.404949 0.120658 0.109218
+1604 5 0.422368 0.150851 0.122337
+1605 5 0.432532 0.0956701 0.0993583
+1615 4 0.557897 0.800382 0.14969
+1616 5 0.567627 0.810431 0.169817
+1617 5 0.56646 0.839732 0.138659
+1621 4 0.324913 0.0451387 0.10063
+1622 5 0.35174 0.0835772 0.102728
+1623 5 0.329178 0.0191391 0.11842
+1624 4 0.897741 0.688508 0.0412588
+1625 5 0.864977 0.662001 0.0412322
+1626 5 0.885148 0.73485 0.0451917
+1633 4 0.00637222 0.992133 0.0391539
+1634 5 0.0287726 0.951572 0.0427231
+1635 5 0.0269109 0.0334271 0.0440111
+1639 4 0.971574 0.412955 0.0656163
+1640 5 0.992011 0.380474 0.054792
+1641 5 0.974795 0.392885 0.0846514
+1648 4 0.976502 0.868367 0.114531
+1649 5 0.00362579 0.900863 0.107198
+1650 5 0.949603 0.862034 0.0992394
+1651 4 0.193541 0.975689 0.0973494
+1652 5 0.19341 0.975849 0.0764122
+1653 5 0.167497 0.942242 0.104581
+1663 4 0.350308 0.69895 0.0566269
+1664 5 0.320794 0.688351 0.070978
+1665 5 0.357787 0.652293 0.0505214
+1673 4 0.61423 0.476938 0.0385523
+1674 5 0.62112 0.455625 0.0574806
+1675 5 0.261665 0.740566 0.195702
+1676 5 0.628339 0.524638 0.04035
+1677 5 0.318672 0.760467 0.183614
+1678 4 0.41167 0.732596 0.0973015
+1679 5 0.446867 0.752484 0.093177
+1680 5 0.395075 0.718447 0.0793413
+1684 4 0.978138 0.769092 0.151479
+1685 5 0.984603 0.7921 0.133243
+1686 5 0.0120506 0.77303 0.162627
+1720 4 0.866437 0.54616 0.175689
+1721 5 0.843493 0.512622 0.185032
+1722 5 0.900994 0.544967 0.18536
+1729 4 0.632063 0.258822 0.0779094
+1730 5 0.657269 0.233408 0.0652225
+1731 5 0.62279 0.299072 0.0665885
+1735 4 0.942791 0.244639 0.0264391
+1736 5 0.970183 0.267072 0.0365628
+1737 5 0.938007 0.201277 0.0367946
+1741 4 0.365472 0.569195 0.0331163
+1742 5 0.373304 0.573364 0.0126892
+1743 5 0.333443 0.542408 0.0335615
+1744 4 0.712441 0.0791016 0.138304
+1745 5 0.734959 0.0377777 0.138517
+1746 5 0.68608 0.0757047 0.153024
+1765 4 0.151295 0.837274 0.119899
+1766 5 0.182279 0.833821 0.10751
+1767 5 0.12827 0.798108 0.119595
+1768 4 0.687506 0.303972 0.136318
+1769 5 0.708309 0.332355 0.12251
+1770 5 0.664431 0.271475 0.126348
+1771 4 0.647593 0.123214 0.0995523
+1772 5 0.67495 0.102541 0.112234
+1773 5 0.665631 0.152023 0.086342
+1810 4 0.279917 0.931886 0.133439
+1811 5 0.25485 0.960222 0.122788
+1812 5 0.297423 0.962457 0.14774
+1816 4 0.855918 0.072878 0.198554
+1817 5 0.843686 0.0992307 0.181833
+1822 4 0.540622 0.111222 0.149632
+1823 5 0.505662 0.1358 0.150644
+1824 5 0.536528 0.0771901 0.134181
+1831 4 0.0754043 0.721039 0.113966
+1832 5 0.0742284 0.757198 0.100686
+1833 5 0.0592106 0.681825 0.103747
+1837 4 0.944493 0.140227 0.0638789
+1838 5 0.9303 0.0969027 0.0576372
+1839 5 0.929273 0.144551 0.0835108
+1850 4 0.0633493 0.790842 0.0621227
+1851 5 0.0292335 0.785735 0.0526559
+1853 5 0.0747545 0.837616 0.0577879
+1855 4 0.379572 0.379565 0.0852414
+1856 5 0.396858 0.417331 0.0955043
+1857 5 0.391706 0.380198 0.0649062
+1867 4 0.390352 0.298698 0.172415
+1868 5 0.385844 0.347924 0.172244
+1869 5 0.39697 0.283447 0.192436
+1895 5 0.118211 0.310181 0.191563
+1897 4 0.818057 0.865032 0.117246
+1898 5 0.824083 0.816926 0.122304
+1899 5 0.783259 0.878392 0.124969
+1907 5 0.637268 0.695609 0.195945
+1909 4 0.471336 0.600863 0.0439979
+1910 5 0.474794 0.647481 0.0495398
+1911 5 0.434226 0.589031 0.044007
+1912 4 0.107756 0.465389 0.162878
+1913 5 0.0838399 0.503188 0.166608
+1914 5 0.112987 0.438548 0.181052
+1915 4 0.0873875 0.93795 0.111412
+1916 5 0.0873138 0.978557 0.124437
+1917 5 0.105004 0.898468 0.120963
+1918 4 0.279896 0.11532 0.0373749
+1919 5 0.281709 0.0667642 0.0441645
+1920 5 0.281721 0.116122 0.0157575
+1924 4 0.85865 0.382555 0.14844
+1925 5 0.886631 0.409687 0.13913
+1926 5 0.853051 0.350803 0.132592
+1933 4 0.548329 0.595859 0.130512
+1934 5 0.509866 0.609477 0.132839
+1935 5 0.548489 0.551651 0.140037
+1937 5 0.908019 0.939748 0.188109
+1945 4 0.600341 0.464182 0.147277
+1946 5 0.612087 0.458596 0.167435
+1947 5 0.579372 0.421083 0.145153
+1954 4 0.417446 0.484976 0.121477
+1955 5 0.435991 0.522222 0.112894
+1956 5 0.436485 0.469839 0.138669
+1969 4 0.678172 0.191116 0.0362167
+1970 5 0.679298 0.200037 0.0149229
+1971 5 0.691349 0.14339 0.0389835
+1972 4 0.76367 0.805383 0.19032
+1973 5 0.756179 0.759087 0.185579
+1974 5 0.802721 0.808005 0.191686
+1990 4 0.166678 0.201442 0.0877769
+1991 5 0.164011 0.192733 0.0667839
+1992 5 0.198168 0.172026 0.0909768
+1999 4 0.454934 0.178163 0.158811
+2000 5 0.439274 0.152141 0.174749
+2001 5 0.451118 0.224295 0.164128
+2002 4 0.428192 0.938765 0.0920246
+2003 5 0.399048 0.916346 0.10192
+2004 5 0.409408 0.94972 0.0745151
+2026 4 0.425063 0.21728 0.0553394
+2027 5 0.44497 0.234739 0.0723864
+2028 5 0.426373 0.25938 0.0438646
+2029 4 0.318272 0.516903 0.128458
+2030 5 0.302091 0.534074 0.110178
+2031 5 0.355606 0.505351 0.123617
+2032 4 0.67152 0.664513 0.167899
+2033 5 0.656211 0.679501 0.149471
+2034 5 0.660396 0.614822 0.167423
+2038 4 0.80971 0.733944 0.129114
+2039 5 0.788854 0.698445 0.120393
+2040 5 0.82549 0.703334 0.143293
+2041 4 0.0053316 0.0161863 0.185718
+2043 5 0.974942 0.984806 0.189186
+2044 4 0.905938 0.902861 0.158476
+2045 5 0.875715 0.905562 0.145208
+2046 5 0.938066 0.884863 0.148065
+2050 4 0.525032 0.245613 0.0331731
+2051 5 0.551938 0.282985 0.0321484
+2052 5 0.496047 0.254315 0.018814
+2062 4 0.628591 0.422436 0.0871246
+2063 5 0.661145 0.394735 0.086837
+2064 5 0.624426 0.43199 0.107376
+2065 4 0.667869 0.560771 0.122361
+2066 5 0.641269 0.592591 0.115944
+2067 5 0.647981 0.521579 0.128576
+2068 4 0.583238 0.68182 0.0674942
+2069 5 0.606605 0.651435 0.0562231
+2070 5 0.600218 0.688938 0.0861659
+2080 4 0.748627 0.896849 0.0346641
+2081 5 0.76762 0.928881 0.0469205
+2082 5 0.722305 0.8801 0.0479667
+2083 4 0.533454 0.134989 0.0622091
+2086 5 0.520378 0.140835 0.0814546
+2088 5 0.528379 0.177179 0.0517996
+2092 4 0.376082 0.429283 0.190839
+2093 5 0.409824 0.439124 0.180579
+2104 4 0.0189476 0.461277 0.124019
+2105 5 0.0565834 0.455431 0.129145
+2106 5 0.00069482 0.419549 0.131152
+2110 4 0.501252 0.0395843 0.104441
+2111 5 0.476379 0.99945 0.105505
+2112 5 0.517377 0.0406879 0.0855977
+2115 5 0.0100091 0.522739 0.193711
+2116 4 0.199218 0.751329 0.182399
+2117 5 0.186829 0.722023 0.166788
+2118 5 0.18509 0.796267 0.178854
+2134 4 0.734507 0.65037 0.0575402
+2135 5 0.741739 0.701735 0.0618956
+2136 5 0.734161 0.6349 0.0784138
+2140 4 0.160923 0.980505 0.173558
+2141 5 0.150129 0.937175 0.182703
+2142 5 0.188267 0.000634004 0.186514
+2143 4 0.966606 0.633298 0.155366
+2144 5 0.958663 0.624119 0.135256
+2145 5 0.960188 0.681964 0.157917
+2149 4 0.556593 0.343681 0.154721
+2150 5 0.556703 0.327434 0.174442
+2151 5 0.564014 0.300271 0.144284
+2162 5 0.856591 0.385284 0.181167
+2170 4 0.291334 0.268902 0.162799
+2171 5 0.329305 0.259284 0.166232
+2172 5 0.292306 0.288581 0.143046
+2177 5 0.24745 0.309838 0.189885
+2178 5 0.24211 0.38898 0.195387
+2182 4 0.440479 0.987398 0.0379959
+2183 5 0.446302 0.977783 0.0174487
+2184 5 0.4198 0.0294399 0.0387893
+2188 4 0.592495 0.337771 0.0301381
+2189 5 0.602999 0.344892 0.0103771
+2190 5 0.589036 0.384235 0.0384909
+2197 4 0.75621 0.765528 0.0720191
+2198 5 0.73001 0.801616 0.0764493
+2199 5 0.777833 0.764051 0.0897405
+2215 4 0.669194 0.279923 0.187673
+2216 5 0.674029 0.289177 0.166301
+2217 5 0.632108 0.26807 0.190464
+2224 4 0.984837 0.760242 0.0313586
+2225 5 0.962938 0.722169 0.0387387
+2226 5 0.997208 0.740504 0.013162
+2230 4 0.121109 0.661017 0.155194
+2231 5 0.104981 0.682928 0.137717
+2232 5 0.145633 0.630956 0.145407
+2239 4 0.761382 0.204479 0.181706
+2240 5 0.788795 0.229044 0.192433
+2241 5 0.727397 0.227614 0.182889
+2275 4 0.422269 0.343419 0.0323815
+2276 5 0.407894 0.335637 0.0130819
+2277 5 0.442598 0.387168 0.0333094
+2287 4 0.864692 0.2874 0.109002
+2288 5 0.885491 0.246801 0.109807
+2289 5 0.844198 0.280668 0.0913348
+2314 4 0.796411 0.459373 0.0770502
+2315 5 0.819369 0.458989 0.0938258
+2316 5 0.818731 0.449851 0.0603722
+2341 4 0.721512 0.369884 0.0884935
+2342 5 0.728904 0.337784 0.0725884
+2343 5 0.74864 0.407798 0.0850677
+2344 4 0.29269 0.438005 0.0304768
+2345 5 0.318966 0.406144 0.0347767
+2346 5 0.261278 0.42342 0.0412362
+2371 4 0.352685 0.86602 0.109888
+2372 5 0.324214 0.887575 0.120773
+2373 5 0.331832 0.851484 0.0936242
+2377 4 0.900874 0.144635 0.11729
+2378 5 0.923465 0.130286 0.132661
+2379 5 0.867343 0.126491 0.12481
+2380 4 0.0449879 0.597384 0.0922497
+2381 5 0.0370105 0.5597 0.104566
+2382 5 0.0773476 0.583229 0.0820879
+2389 4 0.494886 0.85061 0.102571
+2390 5 0.527911 0.874112 0.107925
+2391 5 0.466951 0.887244 0.0974287
+2395 4 0.622252 0.0877971 0.180101
+2396 5 0.589218 0.10616 0.169363
+2397 5 0.624215 0.0412168 0.171709
+2401 4 0.389914 0.0976287 0.0340583
+2402 5 0.353557 0.108199 0.0387372
+2403 5 0.407641 0.137244 0.0419653
+2410 4 0.811643 0.12398 0.148949
+2411 5 0.774091 0.115047 0.144104
+2412 5 0.805917 0.163586 0.161372
+2416 4 0.0794202 0.540432 0.034976
+2417 5 0.107717 0.569724 0.0444096
+2418 5 0.0820196 0.547706 0.01443
+2455 4 0.832838 0.57885 0.126583
+2456 5 0.851243 0.560725 0.143491
+2457 5 0.863533 0.583965 0.114059
+2467 4 0.636505 0.988282 0.0730655
+2468 5 0.647957 0.0305176 0.0810154
+2469 5 0.612267 0.999209 0.0573867
+2476 4 0.495575 0.757197 0.0631452
+2477 5 0.524843 0.725692 0.0621618
+2478 5 0.510474 0.792079 0.076637
+2488 4 0.515197 0.430724 0.0854685
+2489 5 0.553026 0.426368 0.0885017
+2490 5 0.500653 0.411832 0.102927
+2500 4 0.0734596 0.145106 0.114788
+2501 5 0.0849534 0.105308 0.125774
+2502 5 0.105001 0.146989 0.102058
+2506 4 0.631339 0.768405 0.0261811
+2507 5 0.616163 0.734634 0.0392027
+2508 5 0.6534 0.802671 0.0356825
+2530 4 0.203187 0.316723 0.10818
+2531 5 0.189427 0.270815 0.104641
+2532 5 0.242872 0.316708 0.110958
+2545 4 0.273568 0.27525 0.0289784
+2546 5 0.246897 0.303189 0.0383106
+2547 5 0.293799 0.245389 0.0419685
+2548 4 0.746141 0.637134 0.113021
+2549 5 0.716132 0.607782 0.120096
+2550 5 0.777692 0.607981 0.115227
+2557 4 0.340539 0.769853 0.151306
+2558 5 0.372087 0.761009 0.139796
+2559 5 0.332591 0.81068 0.141524
+2560 4 0.840372 0.809303 0.0413141
+2561 5 0.838962 0.814015 0.0203876
+2562 5 0.803308 0.794776 0.0468768
+2563 4 0.281641 0.663422 0.140323
+2564 5 0.285905 0.622247 0.152672
+2565 5 0.30167 0.698599 0.14983
+2575 4 0.710764 0.0659403 0.0320439
+2576 5 0.744041 0.0444072 0.0375861
+2577 5 0.714522 0.0680166 0.0107024
+2587 4 0.261062 0.672675 0.0851858
+2588 5 0.262948 0.677695 0.10635
+2589 5 0.255501 0.625965 0.0803223
+2593 4 0.0288244 0.226112 0.152271
+2594 5 0.0492329 0.204546 0.137021
+2595 5 0.00451837 0.191954 0.160281
+2611 4 0.957648 0.134204 0.165793
+2612 5 0.976245 0.0901021 0.166407
+2613 5 0.946341 0.14506 0.185503
+2614 4 0.81349 0.0234624 0.0426757
+2615 5 0.852215 0.0246707 0.047736
+2616 5 0.817094 0.00794392 0.0238806
+2629 4 0.180057 0.45226 0.116246
+2630 5 0.191568 0.405644 0.111636
+2631 5 0.152487 0.446687 0.130966
+2644 4 0.0294216 0.203614 0.0678205
+2645 5 0.0433187 0.181843 0.0854358
+2646 5 0.992978 0.183235 0.0659342
+2665 4 0.27588 0.463423 0.181245
+2666 5 0.31457 0.451851 0.185137
+2667 5 0.275013 0.47426 0.161314
+2668 4 0.155193 0.598111 0.0657867
+2669 5 0.184237 0.589519 0.0512838
+2670 5 0.170437 0.603037 0.0842638
+2671 4 0.47781 0.270805 0.100666
+2672 5 0.496227 0.260984 0.118496
+2673 5 0.506892 0.288574 0.0885847
+2683 4 0.119533 0.413233 0.0397431
+2684 5 0.0975477 0.373503 0.043462
+2685 5 0.101055 0.456714 0.0419905
+2692 4 0.835598 0.272407 0.0502443
+2693 5 0.801125 0.291478 0.0445735
+2694 5 0.864424 0.296939 0.0399851
+2695 4 0.974887 0.332812 0.131645
+2696 5 0.944829 0.305219 0.126226
+2697 5 0.99623 0.303026 0.144603
+2707 4 0.087664 0.915452 0.0526581
+2708 5 0.080485 0.921259 0.0733757
+2709 5 0.122293 0.93541 0.0485537
+2713 4 0.581736 0.0304371 0.0309754
+2714 5 0.609518 0.0599304 0.0233784
+2715 5 0.549928 0.0599679 0.0322312
+2719 4 0.319049 0.208069 0.0695848
+2720 5 0.304006 0.167641 0.0605917
+2721 5 0.358474 0.201786 0.0694938
+2731 4 0.450484 0.841533 0.0275503
+2732 5 0.462847 0.803849 0.040354
+2733 5 0.463336 0.885278 0.0360498
+2740 4 0.161402 0.167809 0.0334357
+2741 5 0.193774 0.152258 0.0242225
+2742 5 0.151089 0.195721 0.0172512
+2749 4 0.125297 0.872695 0.198028
+2750 5 0.104735 0.834255 0.190927
+2753 4 0.215271 0.377033 0.0566415
+2754 5 0.182207 0.395188 0.0476982
+2756 5 0.206343 0.352001 0.0743127
+2767 4 0.683731 0.855962 0.0716466
+2768 5 0.681221 0.843936 0.0921783
+2769 5 0.659621 0.895508 0.0723573
+2782 4 0.244804 0.594759 0.0323196
+2783 5 0.271727 0.629492 0.0261106
+2784 5 0.230375 0.575856 0.0140973
+2785 4 0.28702 0.120963 0.184141
+2786 5 0.295102 0.0853984 0.171
+2787 5 0.254873 0.144823 0.178341
+2806 4 0.222995 0.85315 0.0288836
+2807 5 0.205637 0.898415 0.0303995
+2808 5 0.216013 0.841089 0.00829954
+2812 4 0.735692 0.30524 0.0334564
+2813 5 0.738698 0.319151 0.0131017
+2814 5 0.718063 0.260517 0.0327782
+2824 4 0.207046 0.173556 0.153836
+2825 5 0.227935 0.214935 0.157646
+2826 5 0.218902 0.152191 0.135919
+2833 4 0.449964 0.6433 0.13271
+2834 5 0.44649 0.6686 0.150704
+2835 5 0.428691 0.666327 0.118368
+2842 4 0.809793 0.153913 0.0292312
+2843 5 0.789303 0.12071 0.0407435
+2844 5 0.819486 0.196456 0.0396903
+2848 4 0.763862 0.00123804 0.193451
+2849 5 0.797702 0.0271849 0.195485
+2854 4 0.345987 0.875362 0.0322408
+2855 5 0.326218 0.850524 0.0171722
+2856 5 0.382681 0.860731 0.0299198
+2875 4 0.644689 0.610345 0.033904
+2876 5 0.633854 0.59112 0.0150361
+2877 5 0.682953 0.621012 0.0306241
+2884 4 0.184918 0.588287 0.124691
+2885 5 0.178401 0.541442 0.116173
+2886 5 0.222406 0.584968 0.127378
+2890 4 0.978671 0.518992 0.0308279
+2891 5 0.0110612 0.539072 0.0370496
+2892 5 0.970689 0.476029 0.040831
+1363 4 0.634551 0.717588 0.291911
+1364 5 0.617103 0.684216 0.279116
+1365 5 0.672276 0.7058 0.287775
+1389 5 0.568427 0.481064 0.399044
+1396 4 0.657245 0.0250401 0.314457
+1397 5 0.67716 0.984937 0.309057
+1398 5 0.628826 0.0254967 0.299562
+1399 4 0.69455 0.382381 0.306458
+1400 4 0.605569 0.19935 0.381666
+1401 5 0.687655 0.370134 0.286916
+1402 5 0.575262 0.169245 0.377859
+1403 5 0.587298 0.241191 0.387578
+1404 5 0.676714 0.343718 0.315794
+1420 4 0.0281854 0.672293 0.361159
+1421 5 0.0499497 0.683039 0.344279
+1422 5 0.996196 0.70229 0.363601
+1426 4 0.998899 0.186856 0.348276
+1427 5 0.997024 0.200001 0.327609
+1428 5 0.011649 0.140745 0.348245
+1438 4 0.200221 0.663061 0.228984
+1439 5 0.21487 0.622735 0.219799
+1440 5 0.19339 0.701284 0.215684
+1444 4 0.346299 0.15097 0.22833
+1445 5 0.319691 0.147472 0.213061
+1446 5 0.353476 0.102573 0.233263
+1447 4 0.417774 0.551901 0.370985
+1448 5 0.44094 0.590453 0.365827
+1449 5 0.397234 0.562971 0.388618
+1459 4 0.632077 0.185975 0.260636
+1460 5 0.598498 0.161475 0.261379
+1461 5 0.653263 0.16674 0.244763
+1462 4 0.718887 0.958699 0.280689
+1463 5 0.72068 0.931535 0.263211
+1464 5 0.730512 0.00254704 0.273634
+1471 4 0.377477 0.443632 0.248156
+1472 5 0.349498 0.472551 0.2566
+1473 5 0.412746 0.452214 0.25712
+1474 4 0.188598 0.0348762 0.314852
+1475 5 0.223352 0.0474313 0.309029
+1476 5 0.173063 0.0792502 0.319516
+1513 4 0.15319 0.283235 0.388502
+1514 5 0.123163 0.306193 0.379457
+1515 5 0.13909 0.24121 0.394451
+1534 4 0.589145 0.630482 0.333748
+1535 5 0.602147 0.664179 0.319554
+1536 5 0.621281 0.605823 0.340835
+1546 4 0.326749 0.00518246 0.240639
+1547 5 0.309587 0.96696 0.232912
+1548 5 0.315403 0.997211 0.260258
+1555 4 0.51113 0.521452 0.20902
+1556 5 0.485082 0.556417 0.213264
+1557 5 0.538084 0.530474 0.222707
+1564 4 0.841605 0.783783 0.292561
+1565 5 0.820855 0.766939 0.309575
+1566 5 0.863386 0.819846 0.300945
+1567 4 0.400199 0.758324 0.212729
+1569 5 0.361962 0.767165 0.207368
+1585 4 0.927966 0.441934 0.349451
+1586 5 0.919999 0.486653 0.357812
+1587 5 0.925027 0.44795 0.328733
+1588 4 0.709006 0.229033 0.363945
+1589 5 0.732088 0.189325 0.367049
+1590 5 0.67754 0.21955 0.375459
+1609 4 0.217517 0.0423214 0.215819
+1610 5 0.243643 0.0787053 0.214795
+1611 5 0.186043 0.071235 0.221519
+1612 4 0.434747 0.0385086 0.261689
+1613 5 0.453439 0.995896 0.266468
+1614 5 0.395913 0.0284771 0.259847
+1618 4 0.139194 0.49536 0.298104
+1619 5 0.136784 0.545441 0.299929
+1620 5 0.158135 0.484323 0.316047
+1636 4 0.865159 0.756227 0.364764
+1637 5 0.857752 0.725001 0.380569
+1638 5 0.833662 0.750172 0.353213
+1645 4 0.559854 0.276562 0.208291
+1646 5 0.539635 0.311504 0.21895
+1647 5 0.560638 0.232949 0.219122
+1654 4 0.394042 0.150067 0.363286
+1655 5 0.408424 0.179134 0.377683
+1656 5 0.390095 0.102659 0.369499
+1657 4 0.511116 0.793949 0.35238
+1658 5 0.509213 0.838622 0.361062
+1659 5 0.543055 0.791833 0.340285
+1660 4 0.281855 0.804297 0.25247
+1661 5 0.284952 0.776372 0.234717
+1662 5 0.254198 0.836942 0.250051
+1666 4 0.187377 0.457789 0.345157
+1667 5 0.218143 0.486308 0.350497
+1668 5 0.17909 0.43594 0.363375
+1669 4 0.0349669 0.293439 0.373664
+1670 5 0.0340181 0.334918 0.360904
+1671 5 0.023375 0.255234 0.360973
+1672 4 0.297927 0.75117 0.201569
+1693 4 0.445228 0.268848 0.33272
+1694 5 0.481554 0.277432 0.327268
+1695 5 0.436614 0.30417 0.347081
+1699 4 0.66271 0.0597476 0.366611
+1700 5 0.656092 0.0432367 0.347209
+1701 5 0.632188 0.0813989 0.373811
+1705 4 0.318419 0.41848 0.309847
+1707 5 0.29905 0.389096 0.296197
+1709 5 0.315824 0.462006 0.299629
+1717 4 0.835803 0.957717 0.299578
+1718 5 0.811681 0.967271 0.283186
+1719 5 0.87109 0.949955 0.292042
+1723 4 0.221825 0.263213 0.277072
+1724 5 0.232582 0.308213 0.270799
+1725 5 0.211732 0.268714 0.297708
+1726 4 0.0729646 0.506985 0.365495
+1727 5 0.0537892 0.544089 0.374376
+1728 5 0.100549 0.530201 0.353556
+1732 4 0.712468 0.774658 0.39896
+1733 5 0.682874 0.759111 0.387486
+1734 5 0.734972 0.803265 0.386449
+1738 4 0.922535 0.566021 0.230576
+1739 5 0.931668 0.560021 0.25107
+1740 5 0.908677 0.613098 0.231988
+1747 4 0.207659 0.104068 0.386971
+1748 5 0.173321 0.122621 0.392424
+1750 4 0.16174 0.778346 0.35237
+1751 5 0.159567 0.74843 0.368717
+1752 5 0.200559 0.790501 0.351287
+1753 4 0.00196937 0.188863 0.292725
+1754 5 0.0357567 0.20775 0.285573
+1755 5 0.97888 0.20887 0.279072
+1762 4 0.966783 0.771742 0.377364
+1763 5 0.968692 0.792131 0.396396
+1764 5 0.929852 0.757297 0.37378
+1774 4 0.520134 0.0570568 0.322009
+1775 5 0.490346 0.0240109 0.324325
+1776 5 0.547342 0.0385708 0.308836
+1777 4 0.482806 0.66502 0.357928
+1778 5 0.509509 0.632547 0.350817
+1779 5 0.497561 0.711136 0.356733
+1786 4 0.752545 0.866047 0.364887
+1787 5 0.73759 0.855651 0.346528
+1788 5 0.7741 0.907573 0.36382
+1795 4 0.517459 0.457155 0.367701
+1796 5 0.491488 0.47808 0.354752
+1797 5 0.495897 0.429438 0.379891
+1798 4 0.543884 0.308224 0.314879
+1799 5 0.556709 0.355862 0.316068
+1800 5 0.576995 0.281231 0.311798
+1801 4 0.449471 0.156306 0.289006
+1802 5 0.481209 0.180212 0.295081
+1803 5 0.461148 0.116164 0.277136
+1804 4 0.580208 0.0228678 0.275891
+1805 5 0.579703 0.971615 0.275116
+1806 5 0.565323 0.0356382 0.257351
+1813 4 0.729821 0.654731 0.281729
+1814 5 0.751309 0.628303 0.294692
+1815 5 0.755956 0.678206 0.269501
+1818 5 0.869752 0.106043 0.212509
+1825 4 0.780042 0.731516 0.333841
+1826 5 0.759372 0.689552 0.338173
+1827 5 0.752907 0.764069 0.328734
+1846 4 0.327675 0.296236 0.337745
+1847 5 0.319006 0.344397 0.334465
+1848 5 0.314083 0.292671 0.356985
+1849 4 0.649573 0.260914 0.319502
+1852 5 0.668713 0.243415 0.336088
+1854 5 0.644373 0.220503 0.306195
+1861 4 0.778615 0.468091 0.20517
+1862 5 0.770603 0.423138 0.211534
+1863 5 0.748061 0.492123 0.212116
+1879 4 0.7208 0.598749 0.220178
+1880 5 0.731112 0.602259 0.240064
+1881 5 0.709121 0.644735 0.215639
+1882 4 0.376314 0.79525 0.26588
+1883 5 0.337626 0.800103 0.266697
+1884 5 0.384959 0.779251 0.245859
+1888 4 0.723156 0.831304 0.309188
+1889 5 0.748928 0.856028 0.298508
+1890 5 0.691807 0.857089 0.308687
+1894 4 0.12541 0.344782 0.205858
+1896 5 0.164096 0.345789 0.207082
+1900 4 0.858208 0.317188 0.285923
+1901 5 0.828578 0.348569 0.284816
+1902 5 0.840693 0.27462 0.293231
+1903 4 0.83027 0.35235 0.350318
+1904 5 0.819077 0.307025 0.344166
+1905 5 0.821973 0.382946 0.333605
+1906 4 0.616593 0.705997 0.213609
+1908 5 0.607216 0.754102 0.216391
+1930 4 0.787758 0.494613 0.362117
+1931 5 0.787025 0.510044 0.381519
+1932 5 0.820152 0.469473 0.360179
+1936 4 0.915512 0.959627 0.20785
+1938 5 0.888836 0.995493 0.204139
+1942 4 0.0333678 0.854128 0.353092
+1943 5 0.063158 0.869053 0.365815
+1944 5 0.0115497 0.822675 0.363684
+1948 4 0.173929 0.641872 0.396901
+1949 5 0.21343 0.647828 0.395836
+1951 4 0.529717 0.109475 0.373912
+1952 5 0.527364 0.0924497 0.353826
+1953 5 0.499933 0.0888732 0.383403
+1966 4 0.574027 0.514067 0.286345
+1967 5 0.594361 0.484956 0.299676
+1968 5 0.575895 0.558963 0.295244
+1975 4 0.434389 0.973466 0.335923
+1976 5 0.433322 0.975717 0.357417
+1977 5 0.419515 0.929858 0.330838
+1978 4 0.954935 0.527859 0.299025
+1979 5 0.981907 0.55066 0.287455
+1980 5 0.957102 0.478342 0.294348
+1981 4 0.557536 0.320763 0.388928
+1982 5 0.536726 0.335114 0.372186
+1987 4 0.67981 0.473218 0.363784
+1988 5 0.681569 0.424919 0.369039
+1989 5 0.714479 0.477038 0.354658
+1996 4 0.0611788 0.414856 0.239172
+1997 5 0.0817506 0.386782 0.225269
+1998 5 0.038312 0.447536 0.229134
+2011 4 0.5358 0.151868 0.236248
+2012 5 0.501797 0.172386 0.231046
+2013 5 0.539639 0.10861 0.225838
+2014 4 0.210304 0.913167 0.385031
+2016 5 0.237794 0.897994 0.37245
+2017 4 0.270888 0.151399 0.34078
+2018 5 0.258236 0.132144 0.359199
+2019 5 0.236666 0.162816 0.331692
+2035 4 0.756606 0.11658 0.374024
+2036 5 0.719945 0.0975805 0.370848
+2037 5 0.7661 0.0971664 0.392808
+2042 5 0.0306605 0.0021465 0.20183
+2053 4 0.486729 0.315083 0.265948
+2054 5 0.485465 0.364888 0.269696
+2055 5 0.521942 0.303616 0.273209
+2056 4 0.94384 0.395666 0.292931
+2057 5 0.912551 0.366634 0.296347
+2058 5 0.951067 0.384884 0.273183
+2059 4 0.662468 0.598174 0.370659
+2060 5 0.659941 0.54735 0.366366
+2061 5 0.670144 0.597912 0.391518
+2071 4 0.446676 0.0710447 0.203084
+2072 5 0.439199 0.0842774 0.222199
+2073 5 0.477325 0.0402943 0.205085
+2077 4 0.947091 0.0668501 0.289104
+2078 5 0.972256 0.105599 0.287792
+2079 5 0.9662 0.039548 0.303508
+2084 4 0.0678155 0.205196 0.231039
+2085 5 0.0859497 0.197248 0.212114
+2087 5 0.0422121 0.240095 0.224944
+2094 5 0.38284 0.435839 0.211712
+2095 4 0.481976 0.942551 0.216304
+2096 5 0.510092 0.910898 0.212766
+2097 5 0.463145 0.928013 0.233947
+2098 4 0.0992642 0.229601 0.281837
+2099 5 0.0978364 0.277659 0.28888
+2100 5 0.0984737 0.236583 0.260875
+2107 4 0.639565 0.344517 0.256916
+2108 5 0.669579 0.359778 0.244255
+2109 5 0.643138 0.295509 0.258176
+2113 4 0.00125248 0.484934 0.207194
+2114 5 0.978535 0.512609 0.218497
+2119 4 0.7877 0.0455701 0.255247
+2120 5 0.773993 0.0770793 0.241122
+2121 5 0.812592 0.0702881 0.267357
+2125 4 0.570348 0.891413 0.28979
+2126 5 0.589729 0.868815 0.305345
+2127 5 0.559605 0.857074 0.275789
+2128 4 0.36364 0.0620109 0.312534
+2129 5 0.340954 0.0246128 0.306549
+2130 5 0.393354 0.0389652 0.321482
+2131 4 0.00922761 0.702495 0.224009
+2132 5 0.0291601 0.675273 0.238165
+2133 5 0.973005 0.704341 0.232041
+2137 4 0.251889 0.381801 0.256438
+2138 5 0.253268 0.363539 0.23695
+2139 5 0.228345 0.421029 0.252019
+2153 5 0.28911 0.510913 0.389604
+2155 4 0.907992 0.706422 0.238415
+2156 5 0.884484 0.717006 0.254625
+2157 5 0.898602 0.739288 0.224222
+2160 5 0.0120681 0.630121 0.39088
+2161 4 0.859734 0.391078 0.201871
+2163 5 0.840566 0.433574 0.203759
+2164 4 0.901012 0.36032 0.390673
+2165 5 0.87059 0.349558 0.377875
+2166 5 0.914891 0.396413 0.377404
+2176 4 0.230544 0.342904 0.202911
+2179 4 0.103255 0.598489 0.23167
+2180 5 0.132112 0.631744 0.229169
+2181 5 0.0811685 0.603654 0.214859
+2185 4 0.176713 0.463698 0.248285
+2186 5 0.165014 0.469186 0.269053
+2187 5 0.144142 0.455922 0.237862
+2191 4 0.558219 0.652721 0.257217
+2192 5 0.528195 0.63373 0.245807
+2193 5 0.583587 0.66099 0.241787
+2200 4 0.0461907 0.0821188 0.245699
+2201 5 0.0586992 0.12958 0.239976
+2202 5 0.0684836 0.0721786 0.262461
+2206 4 0.797239 0.717482 0.248357
+2207 5 0.785356 0.746926 0.233224
+2208 5 0.815007 0.747116 0.262634
+2209 4 0.452856 0.902052 0.26909
+2210 5 0.477679 0.886977 0.283416
+2211 5 0.432279 0.86118 0.263283
+2221 4 0.717421 0.36098 0.225407
+2222 5 0.699167 0.349217 0.207338
+2223 5 0.731382 0.316053 0.230869
+2233 4 0.305775 0.522995 0.281769
+2234 5 0.276056 0.538719 0.269839
+2235 5 0.310143 0.559022 0.295909
+2242 4 0.0802416 0.702129 0.313482
+2243 5 0.0950463 0.748124 0.311895
+2244 5 0.042238 0.712328 0.310175
+2260 4 0.626559 0.723983 0.372767
+2261 5 0.637704 0.679981 0.365887
+2262 5 0.602577 0.716096 0.38854
+2269 4 0.0389318 0.555438 0.27037
+2270 5 0.0527232 0.51383 0.280073
+2271 5 0.0672907 0.574143 0.258081
+2284 4 0.42862 0.371825 0.374009
+2285 5 0.39292 0.389093 0.378431
+2286 5 0.446586 0.376423 0.392294
+2293 4 0.163361 0.17075 0.324438
+2294 5 0.166835 0.209911 0.337358
+2295 5 0.144402 0.188644 0.308419
+2320 4 0.932604 0.134723 0.224287
+2321 5 0.92738 0.174581 0.238001
+2322 5 0.959509 0.106056 0.232419
+2326 4 0.920397 0.225277 0.389595
+2327 5 0.924861 0.275652 0.393595
+2328 5 0.950876 0.218687 0.377258
+2332 4 0.107159 0.358763 0.298308
+2333 5 0.0817865 0.376229 0.313509
+2334 5 0.117489 0.398633 0.286968
+2335 4 0.912838 0.571934 0.378175
+2336 5 0.9405 0.569549 0.393023
+2337 5 0.885665 0.601984 0.388188
+2347 4 0.332164 0.384724 0.389436
+2348 5 0.313377 0.41964 0.399529
+2349 5 0.303558 0.352455 0.391431
+2350 4 0.895927 0.611981 0.325783
+2351 5 0.910237 0.574283 0.314785
+2352 5 0.902782 0.602173 0.3452
+2356 4 0.600219 0.439047 0.334522
+2357 5 0.570091 0.452895 0.346213
+2358 5 0.630595 0.432479 0.347567
+2365 4 0.709024 0.879261 0.235815
+2366 5 0.670722 0.877103 0.23361
+2367 5 0.721304 0.853601 0.219391
+2368 4 0.560377 0.0329243 0.222145
+2369 5 0.592492 0.0365439 0.209876
+2370 5 0.548985 0.984444 0.222729
+2374 4 0.946405 0.365678 0.234774
+2375 5 0.912849 0.383531 0.227605
+2376 5 0.972914 0.388184 0.222886
+2383 4 0.856802 0.118465 0.298453
+2384 5 0.854073 0.129098 0.319253
+2385 5 0.889059 0.088457 0.297116
+2398 4 0.35533 0.77467 0.362158
+2399 5 0.365773 0.741239 0.347518
+2400 5 0.371514 0.759977 0.38024
+2404 4 0.761001 0.244392 0.246208
+2405 5 0.765302 0.238646 0.266864
+2406 5 0.796397 0.247363 0.238409
+2413 4 0.537037 0.7909 0.254324
+2414 5 0.55315 0.746476 0.258465
+2415 5 0.555209 0.810801 0.236759
+2419 4 0.524169 0.925286 0.378996
+2420 5 0.517583 0.941787 0.360162
+2421 5 0.499665 0.951593 0.392212
+2422 4 0.261521 0.812622 0.344238
+2423 5 0.295757 0.792332 0.348908
+2424 5 0.273039 0.845815 0.330616
+2428 4 0.296305 0.169745 0.277319
+2429 5 0.26655 0.199844 0.274711
+2430 5 0.313468 0.172568 0.258542
+2431 4 0.602067 0.79794 0.329696
+2432 5 0.608427 0.778245 0.348873
+2433 5 0.617425 0.764657 0.315826
+2437 4 0.724159 0.358369 0.382876
+2438 5 0.7629 0.349605 0.38602
+2439 5 0.718375 0.317326 0.371865
+2443 4 0.289316 0.498746 0.354098
+2444 5 0.304815 0.46609 0.340529
+2445 5 0.296787 0.542567 0.343643
+2451 5 0.13309 0.700729 0.397832
+2452 4 0.211158 0.908281 0.231741
+2453 5 0.213258 0.956858 0.226816
+2454 5 0.184777 0.887701 0.217817
+2464 4 0.034214 0.40372 0.331787
+2465 5 0.0435092 0.447281 0.340814
+2466 5 0.997376 0.400967 0.32558
+2479 4 0.462796 0.632839 0.232586
+2480 5 0.453242 0.668097 0.219561
+2481 5 0.431037 0.619122 0.244889
+2509 4 0.815622 0.975944 0.352623
+2510 5 0.827038 0.959716 0.333348
+2511 5 0.805551 0.023039 0.348678
+2515 4 0.93146 0.96151 0.263233
+2516 5 0.922813 0.961273 0.242599
+2517 5 0.935638 0.0106549 0.268067
+2524 4 0.45723 0.773338 0.30475
+2525 5 0.480018 0.764045 0.288787
+2526 5 0.479655 0.767906 0.321462
+2533 4 0.61639 0.461535 0.218636
+2534 5 0.599206 0.425892 0.229705
+2535 5 0.654449 0.454616 0.22113
+2536 4 0.69639 0.131821 0.22205
+2537 5 0.72021 0.170939 0.220202
+2538 5 0.674135 0.124837 0.205658
+2542 4 0.0394573 0.0531887 0.334625
+2543 5 0.0545738 0.043647 0.315621
+2544 5 0.0649393 0.0332881 0.348078
+2566 4 0.089088 0.0121457 0.290705
+2567 5 0.0847903 0.961892 0.288788
+2568 5 0.117988 0.0225485 0.303078
+2581 4 0.922555 0.252732 0.251316
+2582 5 0.891928 0.26662 0.262915
+2583 5 0.937521 0.298069 0.246303
+2602 4 0.974608 0.724615 0.30348
+2603 5 0.948324 0.756512 0.297394
+2604 5 0.953071 0.687332 0.311785
+2620 4 0.301018 0.236664 0.390359
+2623 4 0.380597 0.61997 0.263167
+2624 5 0.381899 0.660175 0.275108
+2625 5 0.342973 0.610713 0.259286
+2626 4 0.101129 0.833501 0.311264
+2627 5 0.0675118 0.842837 0.32171
+2628 5 0.127821 0.825875 0.326384
+2632 4 0.318232 0.94737 0.293037
+2633 5 0.28448 0.92139 0.292148
+2634 5 0.343379 0.910408 0.297932
+2641 4 0.243401 0.548375 0.222441
+2642 5 0.217689 0.518654 0.23319
+2643 5 0.262151 0.518184 0.209205
+2647 4 0.9192 0.844788 0.316493
+2648 5 0.923634 0.889542 0.324098
+2649 5 0.938854 0.815931 0.330176
+2650 4 0.118591 0.0190183 0.369581
+2651 5 0.149857 0.0480309 0.370777
+2652 5 0.131592 0.973957 0.372863
+2659 4 0.859562 0.141443 0.356897
+2660 5 0.876995 0.173676 0.370192
+2661 5 0.822107 0.150744 0.360109
+2662 4 0.964559 0.95727 0.343613
+2663 5 0.992319 0.990055 0.34739
+2664 5 0.981798 0.914894 0.336813
+2675 5 0.360957 0.856022 0.396864
+2677 4 0.0184493 0.0209734 0.395669
+2678 5 0.0553105 0.0204795 0.389442
+2679 5 0.996508 0.049072 0.383441
+2698 4 0.388486 0.687675 0.32478
+2699 5 0.412684 0.714664 0.312197
+2700 5 0.412881 0.660607 0.336383
+2701 4 0.798635 0.41872 0.308934
+2702 5 0.794979 0.467992 0.308097
+2703 5 0.761242 0.402903 0.309938
+2704 4 0.0196932 0.904225 0.271347
+2705 5 0.0157564 0.857044 0.277367
+2706 5 0.980619 0.917046 0.27184
+2710 4 0.0596906 0.960336 0.226218
+2711 5 0.0627879 0.00765651 0.232567
+2712 5 0.0378539 0.93782 0.241671
+2716 4 0.305664 0.613926 0.323035
+2717 5 0.339137 0.636489 0.327168
+2718 5 0.287738 0.647139 0.309789
+2725 4 0.254359 0.685735 0.280337
+2726 5 0.260658 0.729923 0.271967
+2727 5 0.223485 0.671652 0.270438
+2734 4 0.191369 0.308645 0.323346
+2735 5 0.158419 0.329281 0.315642
+2736 5 0.212647 0.341381 0.334957
+2743 4 0.192372 0.18613 0.236446
+2744 5 0.201804 0.219125 0.251871
+2745 5 0.170778 0.208167 0.223258
+2746 4 0.413567 0.482332 0.322993
+2747 5 0.377882 0.464216 0.318863
+2748 5 0.41294 0.50997 0.339793
+2751 5 0.100324 0.899466 0.209658
+2770 4 0.84464 0.261356 0.207879
+2771 5 0.845614 0.309068 0.203519
+2772 5 0.880142 0.255818 0.216572
+2776 4 0.787888 0.58772 0.324669
+2777 5 0.787384 0.553712 0.339972
+2778 5 0.823534 0.607085 0.324514
+2779 4 0.384817 0.862829 0.320168
+2780 5 0.409021 0.836325 0.308468
+2781 5 0.374032 0.824091 0.331816
+2788 4 0.713841 0.14707 0.29863
+2789 5 0.695771 0.107022 0.306008
+2790 5 0.695309 0.165262 0.282137
+2803 4 0.794443 0.220038 0.301522
+2804 5 0.815368 0.178537 0.298543
+2805 5 0.760155 0.194812 0.302144
+2821 4 0.112624 0.882292 0.386288
+2822 5 0.110908 0.83209 0.388728
+2823 5 0.151332 0.889479 0.38198
+2827 4 0.131379 0.422912 0.396892
+2828 5 0.0984259 0.440354 0.38988
+2845 4 0.212707 0.909591 0.290216
+2846 5 0.196539 0.907743 0.27084
+2847 5 0.196266 0.942297 0.302442
+2850 5 0.754312 0.983376 0.211651
+2851 4 0.893592 0.98199 0.387264
+2852 5 0.859434 0.989378 0.37721
+2853 5 0.912187 0.967831 0.370324
+2857 4 0.13558 0.604375 0.332398
+2858 5 0.107899 0.637001 0.325405
+2859 5 0.158731 0.634177 0.343847
+2864 5 0.434572 0.702383 0.388984
+2866 4 0.380953 0.285395 0.276988
+2867 5 0.376087 0.324567 0.264674
+2868 5 0.419442 0.284588 0.280508
+2869 4 0.474202 0.441291 0.285627
+2870 5 0.505077 0.468671 0.280877
+2871 5 0.454189 0.45964 0.301915
+2878 4 0.446405 0.2427 0.221928
+2879 5 0.452908 0.276765 0.236912
+2880 5 0.41559 0.216403 0.228615
+2896 6 0.421147 0.00854629 0.398486
+2897 6 0.586867 0.866436 0.207261
+2898 7 0.365399 0.190125 0.31445
+1351 4 0.261209 0.845204 0.433803
+1352 5 0.24767 0.867486 0.450304
+1353 5 0.295152 0.867549 0.428122
+1354 4 0.729632 0.39451 0.444906
+1355 5 0.72689 0.366631 0.462242
+1356 5 0.750456 0.367628 0.431324
+1357 4 0.129208 0.949769 0.584325
+1358 5 0.161112 0.979724 0.581112
+1366 4 0.998739 0.63562 0.523628
+1367 5 0.961657 0.621203 0.527087
+1368 5 0.0177111 0.591696 0.52642
+1372 4 0.808178 0.533671 0.525197
+1373 5 0.794274 0.550867 0.507749
+1374 5 0.786321 0.495564 0.531946
+1375 4 0.526317 0.314333 0.544369
+1376 5 0.556647 0.327608 0.532282
+1377 5 0.509242 0.276423 0.534377
+1378 4 0.47904 0.790705 0.533281
+1379 5 0.505151 0.81009 0.546687
+1380 5 0.449559 0.82293 0.535209
+1387 4 0.584007 0.486876 0.418721
+1388 5 0.600923 0.44431 0.424143
+1390 4 0.871751 0.233086 0.581374
+1392 5 0.876418 0.283253 0.580329
+1393 4 0.13178 0.182237 0.507056
+1394 5 0.15333 0.159586 0.521791
+1395 5 0.146744 0.228495 0.504617
+1405 4 0.795875 0.704089 0.590721
+1406 5 0.833438 0.696297 0.589681
+1407 5 0.780293 0.715144 0.572452
+1414 4 0.556969 0.119474 0.508495
+1415 5 0.553115 0.0704582 0.51254
+1416 5 0.560651 0.124954 0.488089
+1423 4 0.351624 0.602089 0.581329
+1424 5 0.37318 0.641156 0.578261
+1432 4 0.778652 0.502066 0.418994
+1433 5 0.753281 0.464982 0.423005
+1434 5 0.815353 0.488817 0.425561
+1435 4 0.821149 0.576315 0.465345
+1436 5 0.858076 0.579784 0.45963
+1437 5 0.806862 0.568948 0.4467
+1441 4 0.506427 0.0940588 0.581736
+1442 5 0.540586 0.0705953 0.577471
+1443 5 0.517979 0.142528 0.580779
+1456 4 0.63167 0.36732 0.430526
+1457 5 0.632188 0.342711 0.412599
+1458 5 0.66825 0.384802 0.431302
+1483 4 0.00332395 0.880057 0.58461
+1484 5 0.0323723 0.901932 0.573496
+1486 4 0.448304 0.506192 0.443137
+1487 5 0.469022 0.543607 0.450587
+1488 5 0.427954 0.492137 0.460102
+1489 4 0.737862 0.440853 0.54651
+1490 5 0.738739 0.39749 0.555964
+1491 5 0.724408 0.472477 0.560164
+1495 4 0.92041 0.256418 0.450859
+1496 5 0.936808 0.239255 0.468359
+1497 5 0.94679 0.28685 0.442555
+1501 4 0.819173 0.912463 0.54901
+1502 5 0.799046 0.898968 0.532153
+1503 5 0.803006 0.879146 0.563026
+1504 4 0.919166 0.0958053 0.581915
+1505 5 0.935914 0.0738389 0.565785
+1506 5 0.907056 0.141361 0.576649
+1507 4 0.235415 0.649555 0.45966
+1508 5 0.198673 0.664968 0.45865
+1509 5 0.251014 0.667497 0.44192
+1510 4 0.477275 0.382193 0.422958
+1511 5 0.476271 0.426423 0.431927
+1512 5 0.475738 0.3541 0.440797
+1516 4 0.87611 0.35324 0.504609
+1517 5 0.84132 0.338507 0.512271
+1518 5 0.867499 0.369225 0.485789
+1525 4 0.482121 0.95578 0.587631
+1526 5 0.498898 0.916761 0.577973
+1527 5 0.488121 0.991421 0.573066
+1528 4 0.73405 0.325231 0.565907
+1529 5 0.696268 0.325078 0.572065
+1530 5 0.748732 0.280849 0.571033
+1540 4 0.491773 0.77027 0.425462
+1541 5 0.522823 0.73991 0.422141
+1542 5 0.490343 0.765725 0.446316
+1543 4 0.950996 0.174889 0.500963
+1544 5 0.948314 0.127875 0.494703
+1545 5 0.91822 0.184274 0.511817
+1570 4 0.900737 0.476974 0.510969
+1571 5 0.889105 0.429817 0.51191
+1572 5 0.870852 0.503377 0.517866
+1579 4 0.424535 0.48779 0.583192
+1580 5 0.395733 0.453581 0.583572
+1581 5 0.402611 0.523857 0.575048
+1594 4 0.885877 0.897888 0.59291
+1595 5 0.867631 0.925112 0.578174
+1596 5 0.924968 0.908161 0.593232
+1606 4 0.610648 0.060497 0.582115
+1608 5 0.629092 0.104038 0.580283
+1627 4 0.642533 0.836021 0.592784
+1629 5 0.678399 0.846761 0.59837
+1630 4 0.757371 0.852988 0.588205
+1631 5 0.768811 0.804327 0.590895
+1642 4 0.140604 0.342753 0.446698
+1643 5 0.145801 0.326273 0.426593
+1644 5 0.141754 0.393478 0.444178
+1681 4 0.22227 0.538742 0.487737
+1682 5 0.228163 0.583484 0.479548
+1683 5 0.205567 0.543223 0.50669
+1687 4 0.809891 0.924804 0.429988
+1688 5 0.837967 0.940504 0.416936
+1689 5 0.824201 0.933947 0.44894
+1690 4 0.155136 0.953082 0.473517
+1691 5 0.130947 0.932909 0.459407
+1692 5 0.179798 0.918133 0.480514
+1696 4 0.325372 0.364311 0.484825
+1697 5 0.355195 0.395937 0.485444
+1698 5 0.295789 0.393861 0.477763
+1702 4 0.28067 0.712951 0.418474
+1703 5 0.31909 0.70908 0.415431
+1704 5 0.27101 0.759569 0.424178
+1706 4 0.0581761 0.740204 0.532157
+1708 5 0.0406507 0.695894 0.527558
+1710 5 0.0528219 0.770332 0.51618
+1711 4 0.382296 0.108162 0.483135
+1712 5 0.360971 0.0986703 0.499939
+1713 5 0.414969 0.125931 0.490441
+1714 4 0.740004 0.188516 0.449665
+1715 5 0.77506 0.185294 0.459024
+1716 5 0.737492 0.149762 0.436815
+1749 5 0.21221 0.0670414 0.400776
+1756 4 0.303184 0.925649 0.582948
+1758 5 0.29236 0.878534 0.583186
+1759 4 0.0644229 0.920219 0.540954
+1760 5 0.0915006 0.917366 0.555073
+1761 5 0.0735971 0.960256 0.529102
+1780 4 0.434009 0.671955 0.590089
+1781 5 0.451252 0.632804 0.599115
+1783 4 0.394449 0.842897 0.46636
+1784 5 0.409151 0.888784 0.467415
+1785 5 0.382233 0.848707 0.446393
+1789 4 0.448748 0.958076 0.469798
+1790 5 0.428173 0.995098 0.462499
+1791 5 0.481103 0.955727 0.458087
+1792 4 0.0131756 0.251082 0.588219
+1793 5 0.0127605 0.213965 0.574036
+1794 5 0.992006 0.287476 0.579372
+1807 4 0.253343 0.436078 0.45431
+1808 5 0.2671 0.46189 0.43679
+1809 5 0.237288 0.473531 0.466339
+1819 4 0.441023 0.122855 0.536101
+1820 5 0.411225 0.105268 0.547741
+1821 5 0.473276 0.101232 0.542221
+1828 4 0.873552 0.454004 0.427354
+1829 5 0.909344 0.469342 0.434145
+1830 5 0.880753 0.40825 0.420291
+1834 4 0.782416 0.308064 0.519532
+1835 5 0.757282 0.292795 0.504762
+1836 5 0.758328 0.322705 0.535277
+1840 4 0.900127 0.358074 0.585343
+1841 5 0.882588 0.402722 0.58354
+1842 5 0.928451 0.361841 0.571142
+1843 4 0.28904 0.0805602 0.516086
+1844 5 0.26834 0.105553 0.529598
+1845 5 0.268599 0.0831827 0.498752
+1858 4 0.855262 0.656937 0.410247
+1859 5 0.879734 0.651005 0.426001
+1860 5 0.823456 0.677644 0.418386
+1864 4 0.130572 0.167292 0.419453
+1865 5 0.152284 0.164834 0.436623
+1866 5 0.09735 0.192218 0.423594
+1870 4 0.653518 0.947548 0.559507
+1871 5 0.638692 0.984257 0.571085
+1872 5 0.655559 0.904198 0.569827
+1873 4 0.991411 0.343683 0.438711
+1874 5 0.0153387 0.359121 0.452533
+1875 5 0.988145 0.380288 0.424274
+1876 4 0.129684 0.470741 0.587714
+1877 5 0.168943 0.468973 0.589612
+1885 4 0.370567 0.589772 0.420021
+1886 5 0.396807 0.570346 0.432797
+1887 5 0.380821 0.637274 0.417108
+1891 4 0.54168 0.566073 0.506594
+1892 5 0.575221 0.593291 0.506763
+1893 5 0.513071 0.587484 0.495159
+1921 4 0.532932 0.546334 0.568614
+1922 5 0.502983 0.544507 0.581308
+1923 5 0.523485 0.547017 0.547863
+1927 4 0.64112 0.566081 0.460156
+1928 5 0.651545 0.540566 0.477821
+1929 5 0.612637 0.542077 0.450252
+1939 4 0.767559 0.734016 0.536115
+1940 5 0.762701 0.779102 0.527022
+1941 5 0.802248 0.71922 0.528687
+1950 5 0.164694 0.600878 0.409064
+1957 4 0.388982 0.821953 0.5849
+1958 5 0.399388 0.85758 0.572267
+1959 5 0.367185 0.791953 0.574097
+1960 4 0.574303 0.991131 0.523126
+1961 5 0.60529 0.0149899 0.529974
+1962 5 0.587866 0.965539 0.507262
+1963 4 0.496458 0.441494 0.503376
+1964 5 0.522977 0.479956 0.504673
+1965 5 0.514826 0.398517 0.506133
+1983 5 0.541027 0.334719 0.406779
+1984 4 0.641841 0.190816 0.524873
+1985 5 0.667393 0.161536 0.514157
+1986 5 0.608109 0.17211 0.518113
+1993 4 0.133842 0.710721 0.466229
+1994 5 0.155526 0.746907 0.458106
+1995 5 0.101448 0.705961 0.454178
+2005 4 0.0348761 0.24035 0.523607
+2006 5 0.0676514 0.218379 0.518312
+2007 5 0.0112375 0.211386 0.512477
+2008 4 0.883413 0.085648 0.423974
+2009 5 0.889483 0.0532369 0.408411
+2010 5 0.906484 0.124172 0.419487
+2015 5 0.225602 0.937036 0.40131
+2020 4 0.209308 0.274464 0.58556
+2021 5 0.173235 0.291866 0.58334
+2023 4 0.978274 0.742047 0.578205
+2024 5 0.994394 0.786215 0.579908
+2025 5 0.987341 0.719904 0.56015
+2047 4 0.833224 0.184992 0.467124
+2048 5 0.846272 0.158187 0.483871
+2049 5 0.863456 0.203424 0.455658
+2074 4 0.0259822 0.395484 0.589602
+2076 5 0.0499966 0.362105 0.58041
+2089 4 0.0454634 0.389707 0.493632
+2090 5 0.0363841 0.347693 0.503014
+2091 5 0.0783075 0.402104 0.504157
+2101 4 0.0387362 0.23225 0.422803
+2102 5 0.0415198 0.248788 0.402208
+2103 5 0.015285 0.270496 0.42932
+2122 4 0.24022 0.33998 0.406199
+2123 5 0.235063 0.353462 0.425956
+2124 5 0.210087 0.313505 0.400285
+2146 4 0.348872 0.388047 0.583059
+2147 5 0.335033 0.353835 0.57014
+2152 4 0.288296 0.508851 0.411341
+2154 5 0.313423 0.544903 0.415816
+2158 4 0.000681733 0.599997 0.40746
+2159 5 0.0171071 0.618014 0.425091
+2167 4 0.929319 0.0564362 0.488132
+2168 5 0.891716 0.0466182 0.490189
+2169 5 0.937193 0.0359697 0.469625
+2173 4 0.766141 0.195824 0.585292
+2174 5 0.802643 0.20039 0.580687
+2194 4 0.961973 0.0349787 0.536082
+2195 5 0.983431 0.994475 0.533243
+2196 5 0.949533 0.0446909 0.516328
+2203 4 0.38026 0.588024 0.504634
+2204 5 0.345466 0.611766 0.506501
+2205 5 0.402007 0.613071 0.518719
+2212 4 0.397646 0.249207 0.584132
+2213 5 0.383947 0.26394 0.565333
+2214 5 0.433826 0.261675 0.588868
+2218 4 0.0968082 0.711632 0.583548
+2219 5 0.0812251 0.665214 0.58229
+2220 5 0.0796535 0.734319 0.567863
+2227 4 0.65547 0.182637 0.582194
+2228 5 0.650251 0.191163 0.562357
+2229 5 0.692787 0.170303 0.582874
+2236 4 0.243015 0.273212 0.533011
+2237 5 0.235901 0.282554 0.55361
+2238 5 0.219573 0.304921 0.522384
+2245 4 0.771518 0.721553 0.436318
+2246 5 0.749054 0.681092 0.440534
+2247 5 0.748199 0.744456 0.422092
+2248 4 0.0104247 0.757621 0.461555
+2249 5 0.980273 0.778118 0.452633
+2250 5 0.0262239 0.793868 0.473485
+2251 4 0.958954 0.314505 0.540792
+2252 5 0.930837 0.323784 0.525981
+2253 5 0.988734 0.292619 0.531296
+2254 4 0.541755 0.872404 0.566756
+2255 5 0.565225 0.899483 0.555019
+2256 5 0.566378 0.847498 0.578685
+2257 4 0.666909 0.719067 0.560655
+2258 5 0.656709 0.757193 0.572247
+2259 5 0.702694 0.733084 0.554067
+2263 4 0.601821 0.929477 0.477181
+2264 5 0.631964 0.899382 0.475212
+2265 5 0.578026 0.911337 0.462714
+2266 4 0.44343 0.661353 0.53333
+2267 5 0.440693 0.659488 0.554389
+2268 5 0.454866 0.708438 0.528432
+2272 4 0.773174 0.0709782 0.426248
+2273 5 0.810361 0.0695753 0.431613
+2274 5 0.752687 0.0325384 0.433998
+2278 4 0.86211 0.201753 0.527927
+2279 5 0.844481 0.240557 0.518286
+2280 5 0.858833 0.207362 0.548938
+2281 4 0.683495 0.111665 0.489248
+2282 5 0.667339 0.0795294 0.475689
+2283 5 0.698128 0.142167 0.475067
+2290 4 0.222268 0.00180689 0.587168
+2292 5 0.252222 0.972213 0.581805
+2296 4 0.0182124 0.010644 0.450978
+2297 5 0.0315413 0.0552173 0.45633
+2298 5 0.0192785 0.0187828 0.430183
+2299 4 0.198852 0.725259 0.576517
+2300 5 0.204811 0.721837 0.597264
+2301 5 0.160156 0.724507 0.577733
+2302 4 0.109183 0.304366 0.580902
+2303 5 0.0841477 0.264384 0.583121
+2304 5 0.112466 0.324852 0.599902
+2305 4 0.297143 0.166467 0.584054
+2306 5 0.285434 0.202723 0.571221
+2308 4 0.496764 0.310406 0.47168
+2309 5 0.53419 0.294874 0.471302
+2310 5 0.482292 0.281553 0.487757
+2311 4 0.875388 0.747564 0.509941
+2312 5 0.894541 0.786432 0.519697
+2313 5 0.866968 0.768835 0.491272
+2317 4 0.169397 0.529854 0.42792
+2318 5 0.14209 0.516157 0.441239
+2319 5 0.201336 0.528312 0.439752
+2323 4 0.0877024 0.903407 0.440301
+2324 5 0.0671014 0.94484 0.436102
+2325 5 0.0949847 0.893688 0.419537
+2329 4 0.644943 0.341736 0.591585
+2331 5 0.634818 0.386168 0.583388
+2338 4 0.658541 0.707394 0.464644
+2339 5 0.640701 0.68395 0.480738
+2340 5 0.674488 0.672647 0.453184
+2353 4 0.498847 0.393189 0.591094
+2354 5 0.480132 0.434573 0.587326
+2355 5 0.501218 0.375938 0.571087
+2359 4 0.548842 0.217419 0.585898
+2360 5 0.545098 0.247064 0.569336
+2361 5 0.58673 0.20971 0.585877
+2362 4 0.317202 0.823364 0.505712
+2363 5 0.350074 0.819818 0.492709
+2364 5 0.319905 0.867559 0.516399
+2386 4 0.893633 0.620765 0.525949
+2387 5 0.887228 0.670607 0.52153
+2388 5 0.858475 0.600868 0.526512
+2392 4 0.712366 0.958118 0.421818
+2393 5 0.750977 0.947169 0.424997
+2394 5 0.70267 0.934677 0.404259
+2407 4 0.159672 0.315064 0.500879
+2408 5 0.147429 0.35394 0.512745
+2409 5 0.147497 0.330648 0.482428
+2425 4 0.746329 0.000330429 0.586411
+2426 5 0.761964 0.0330558 0.573757
+2427 5 0.730567 0.964864 0.574724
+2434 4 0.674587 0.571884 0.543385
+2435 5 0.700333 0.595306 0.55555
+2436 5 0.655304 0.541631 0.55731
+2440 4 0.449938 0.242727 0.512087
+2441 5 0.41444 0.260355 0.510567
+2442 5 0.447644 0.194167 0.519831
+2446 4 0.315336 0.0367256 0.436923
+2447 5 0.348262 0.0156668 0.430747
+2448 5 0.325099 0.0831861 0.432088
+2449 4 0.106742 0.736768 0.401117
+2450 5 0.0745776 0.711981 0.404658
+2458 4 0.0279105 0.637554 0.461026
+2459 5 0.0557823 0.628209 0.475661
+2460 5 0.0276611 0.688479 0.462947
+2461 4 0.597022 0.371199 0.510037
+2462 5 0.612794 0.407326 0.497924
+2463 5 0.592667 0.334445 0.496013
+2470 4 0.91752 0.64308 0.458578
+2471 5 0.914256 0.638915 0.479106
+2472 5 0.956423 0.647842 0.456004
+2473 4 0.478246 0.773181 0.48099
+2474 5 0.445081 0.797583 0.476109
+2475 5 0.479048 0.787965 0.501313
+2482 4 0.981889 0.488365 0.560505
+2483 5 0.000135641 0.452278 0.573009
+2484 5 0.978195 0.466723 0.541726
+2485 4 0.169003 0.742795 0.52029
+2486 5 0.129813 0.738968 0.520295
+2487 5 0.180171 0.736048 0.540194
+2491 4 0.640245 0.0440039 0.445749
+2492 5 0.626047 0.00768819 0.458172
+2493 5 0.665871 0.019882 0.43291
+2494 4 0.956645 0.906575 0.47228
+2495 5 0.976826 0.870043 0.482072
+2496 5 0.982363 0.943572 0.468009
+2497 4 0.392902 0.458647 0.491277
+2498 5 0.384293 0.507357 0.493494
+2499 5 0.431544 0.446614 0.493573
+2503 4 0.342694 0.294001 0.533987
+2504 5 0.305506 0.274186 0.534835
+2505 5 0.335886 0.325727 0.517746
+2512 4 0.831666 0.00223706 0.49984
+2513 5 0.835344 0.978372 0.517787
+2514 5 0.792893 0.00425101 0.496324
+2518 4 0.774429 0.854515 0.506037
+2519 5 0.742542 0.859994 0.495232
+2520 5 0.7996 0.835808 0.491596
+2521 4 0.295027 0.77693 0.560541
+2522 5 0.264457 0.744547 0.560922
+2523 5 0.299479 0.790818 0.540417
+2527 4 0.0650682 0.571784 0.571476
+2528 5 0.0892882 0.534139 0.57573
+2529 5 0.0334353 0.54412 0.566506
+2539 4 0.839464 0.802228 0.464762
+2540 5 0.859095 0.81858 0.447807
+2541 5 0.816226 0.766299 0.456632
+2551 4 0.379235 0.0741508 0.571423
+2552 5 0.392976 0.08653 0.58982
+2553 5 0.342032 0.0880774 0.576389
+2554 4 0.356388 0.298329 0.439034
+2555 5 0.347652 0.320339 0.457054
+2556 5 0.37594 0.332603 0.427973
+2569 4 0.736335 0.0131316 0.515716
+2570 5 0.725547 0.0562624 0.507704
+2571 5 0.709963 0.988058 0.526907
+2572 4 0.681291 0.842914 0.470157
+2573 5 0.706488 0.855747 0.45474
+2574 5 0.67388 0.793591 0.467611
+2578 4 0.0929057 0.0189876 0.509088
+2579 5 0.114392 0.995933 0.494347
+2580 5 0.0753792 0.0576854 0.499946
+2584 4 0.218757 0.851302 0.48926
+2585 5 0.201793 0.815892 0.502011
+2586 5 0.257407 0.850838 0.491876
+2590 4 0.264844 0.597657 0.55701
+2591 5 0.300532 0.599398 0.566431
+2592 5 0.273536 0.622192 0.539029
+2596 4 0.105136 0.489674 0.468068
+2597 5 0.113857 0.535576 0.474805
+2598 5 0.0691816 0.479035 0.474642
+2599 4 0.922331 0.86598 0.422724
+2600 5 0.92664 0.882663 0.442252
+2601 5 0.921995 0.905931 0.410841
+2605 4 0.872495 0.485402 0.579417
+2607 5 0.908069 0.498538 0.573082
+2608 4 0.34873 0.165384 0.435647
+2609 5 0.34745 0.216433 0.437831
+2610 5 0.354565 0.144846 0.454671
+2617 4 0.623843 0.488629 0.580284
+2618 5 0.586486 0.496596 0.573666
+2621 5 0.279075 0.262757 0.403799
+2622 5 0.323866 0.209251 0.403408
+2635 4 0.579225 0.669209 0.588066
+2636 5 0.568128 0.625458 0.581479
+2637 5 0.610398 0.678096 0.57572
+2638 4 0.556669 0.876553 0.433433
+2639 5 0.566914 0.885405 0.41297
+2640 5 0.529338 0.840848 0.430799
+2653 4 0.114865 0.401011 0.537025
+2654 5 0.118655 0.442063 0.549478
+2655 5 0.115136 0.361437 0.550624
+2656 4 0.227687 0.233323 0.456958
+2657 5 0.248304 0.239202 0.474475
+2658 5 0.198191 0.263971 0.458023
+2674 4 0.356788 0.879556 0.414509
+2676 5 0.373181 0.923129 0.414606
+2680 4 0.591191 0.274046 0.468249
+2681 5 0.605833 0.307159 0.454221
+2682 5 0.584953 0.229168 0.459412
+2686 4 0.427193 0.909976 0.530644
+2687 5 0.390283 0.928651 0.528926
+2688 5 0.448654 0.92434 0.514509
+2689 4 0.790564 0.290776 0.415158
+2690 5 0.826562 0.272355 0.413313
+2691 5 0.766446 0.252371 0.418414
+2722 4 0.468129 0.615897 0.472694
+2723 5 0.43229 0.604096 0.47967
+2724 5 0.471786 0.66388 0.478632
+2728 4 0.115302 0.608781 0.495278
+2729 5 0.131394 0.598485 0.514317
+2730 5 0.13071 0.652364 0.486969
+2737 4 0.709307 0.592258 0.42198
+2738 5 0.683416 0.570216 0.435474
+2739 5 0.743913 0.566137 0.422934
+2752 4 0.576547 0.141422 0.450493
+2755 5 0.597754 0.101225 0.443764
+2757 5 0.541819 0.139652 0.442716
+2758 4 0.469061 0.142212 0.447897
+2759 5 0.441247 0.17251 0.453736
+2760 5 0.455383 0.111766 0.433927
+2761 4 0.165887 0.571593 0.541273
+2762 5 0.144799 0.571937 0.558758
+2763 5 0.201058 0.582529 0.547269
+2764 4 0.902548 0.640054 0.58517
+2765 5 0.908808 0.621887 0.566388
+2766 5 0.921166 0.684407 0.586912
+2773 4 0.617725 0.656438 0.514296
+2774 5 0.636837 0.624698 0.5271
+2775 5 0.622783 0.697517 0.524688
+2791 4 0.0430243 0.849305 0.495164
+2792 5 0.0681564 0.86619 0.480355
+2793 5 0.0535682 0.876969 0.51172
+2794 4 0.288598 0.671541 0.509072
+2795 5 0.268372 0.657712 0.492809
+2796 5 0.309488 0.713011 0.504411
+2797 4 0.919982 0.835243 0.53498
+2798 5 0.892905 0.868007 0.54268
+2799 5 0.953246 0.849542 0.543631
+2800 4 0.702473 0.295603 0.478571
+2801 5 0.666188 0.288321 0.485133
+2802 5 0.706768 0.256128 0.465434
+2809 4 0.000760795 0.509096 0.49929
+2810 5 0.961593 0.50265 0.501097
+2811 5 0.0155956 0.463303 0.501638
+2815 4 0.0348446 0.122791 0.558022
+2816 5 0.0662559 0.0936068 0.557588
+2817 5 0.00541231 0.0997815 0.548049
+2818 4 0.189925 0.122386 0.54818
+2819 5 0.189293 0.0792814 0.558139
+2820 5 0.209237 0.155256 0.560266
+2829 5 0.148524 0.459292 0.408028
+2830 4 0.971665 0.496962 0.439465
+2831 5 0.990393 0.533845 0.429411
+2832 5 0.990225 0.504864 0.458353
+2836 4 0.245292 0.470372 0.581584
+2837 5 0.254186 0.511466 0.570948
+2838 5 0.275951 0.440937 0.582539
+2839 4 0.577681 0.693247 0.423681
+2840 5 0.599573 0.712495 0.439175
+2841 5 0.584659 0.643907 0.423942
+2860 4 0.767752 0.551405 0.58709
+2861 5 0.793357 0.530511 0.574389
+2862 5 0.784751 0.592001 0.593794
+2863 4 0.40809 0.712781 0.403208
+2865 5 0.429434 0.735687 0.418463
+2872 4 0.330872 0.94675 0.532135
+2873 5 0.320921 0.935025 0.552318
+2874 5 0.315827 0.992062 0.52654
+2881 4 0.0621603 0.123645 0.468103
+2882 5 0.0964032 0.140311 0.475651
+2883 5 0.0469303 0.158514 0.455341
+2887 4 0.67037 0.466549 0.491001
+2888 5 0.676604 0.47993 0.510925
+2889 5 0.704262 0.455761 0.483585
+2893 4 0.215348 0.00432813 0.431297
+2894 5 0.199129 0.994298 0.450344
+2895 5 0.2525 0.0171136 0.4335
+1 1 0.0694596 0.138738 0.758948
+3 2 0.0655164 0.0493111 0.736633
+5 2 0.00412501 0.167279 0.739137
+7 2 0.113661 0.176076 0.736364
+9 2 0.118949 0.0924382 0.780085
+11 2 0.0144534 0.0918679 0.782924
+13 2 0.0653486 0.214626 0.783814
+15 1 0.120942 0.0128948 0.758199
+17 3 0.024293 0.0444104 0.736235
+19 3 0.988664 0.213548 0.73522
+21 1 0.954739 0.124426 0.764202
+23 3 0.125126 0.183122 0.716386
+25 3 0.152866 0.119691 0.780072
+27 3 0.0201824 0.0408959 0.783174
+31 2 0.174438 0.0356709 0.732318
+33 2 0.172096 0.221305 0.782509
+35 2 0.227186 0.164253 0.738277
+37 2 0.960534 0.04174 0.737557
+39 2 0.279278 0.197491 0.781588
+41 2 0.238255 0.0779757 0.782896
+43 3 0.180412 0.0314381 0.711613
+45 1 0.230849 0.244939 0.761341
+49 3 0.201563 0.126897 0.735566
+51 3 0.956938 0.0392014 0.716544
+53 3 0.989337 0.223061 0.785844
+57 1 0.149764 0.00488736 0.660096
+59 2 0.14059 0.181997 0.683623
+61 2 0.211935 0.0390524 0.681224
+63 2 0.102116 0.0572569 0.681869
+65 2 0.0988046 0.216801 0.637961
+67 2 0.204426 0.217055 0.635785
+69 2 0.146706 0.0825326 0.636128
+71 1 0.0929775 0.13243 0.661625
+73 3 0.174206 0.171439 0.693796
+75 3 0.221764 0.0870807 0.684118
+77 1 0.259661 0.244111 0.661262
+79 3 0.0874833 0.0523924 0.702218
+81 3 0.085713 0.221415 0.61872
+83 3 0.201436 0.168462 0.630086
+85 3 0.151866 0.0920711 0.615815
+87 2 0.0360862 0.160776 0.684511
+89 2 0.0425279 0.0954604 0.637314
+91 2 0.975837 0.0482034 0.680053
+93 2 0.258919 0.164098 0.682496
+95 2 0.267221 0.0788553 0.635448
+97 2 0.979688 0.212589 0.638674
+99 3 0.0277991 0.166201 0.705749
+101 1 0.979364 0.128328 0.660385
+103 3 0.0482462 0.10207 0.616644
+105 3 0.00508321 0.0135445 0.680709
+107 3 0.252364 0.172712 0.702745
+109 3 0.260425 0.0791567 0.614533
+111 3 0.990398 0.230003 0.618749
+113 1 0.0642569 0.38481 0.759006
+115 2 0.0699036 0.300049 0.738526
+117 2 0.00728638 0.414999 0.736564
+119 2 0.118108 0.424006 0.739652
+121 2 0.11883 0.343232 0.782167
+123 2 0.0140519 0.336074 0.781176
+125 2 0.0652956 0.462144 0.783804
+127 1 0.121546 0.263621 0.760855
+129 3 0.0405669 0.278119 0.728107
+131 3 0.994835 0.460645 0.73187
+133 1 0.951127 0.364416 0.760078
+135 3 0.123904 0.425305 0.718781
+137 3 0.149687 0.373206 0.777826
+139 3 0.0341337 0.292494 0.782095
+143 2 0.180259 0.282589 0.736022
+145 2 0.173682 0.467791 0.78396
+147 2 0.233753 0.416896 0.738399
+149 2 0.951251 0.288382 0.73609
+151 2 0.287749 0.447167 0.7836
+153 2 0.238797 0.328163 0.782587
+155 3 0.186756 0.2814 0.715137
+157 1 0.234262 0.495265 0.760011
+161 3 0.206486 0.381332 0.738422
+163 3 0.96363 0.300968 0.715935
+165 3 0.989132 0.454872 0.792668
+169 1 0.146906 0.264459 0.661929
+171 2 0.145624 0.428865 0.681181
+173 2 0.20742 0.28681 0.679643
+175 2 0.101696 0.311048 0.684333
+177 2 0.0927904 0.471591 0.636237
+179 2 0.203371 0.469105 0.632035
+181 2 0.144805 0.338574 0.637433
+183 1 0.0943274 0.384978 0.659698
+185 3 0.184497 0.433973 0.684415
+187 3 0.211079 0.336003 0.682713
+189 1 0.255066 0.502529 0.654546
+191 3 0.0907749 0.317345 0.704107
+193 3 0.0545045 0.480131 0.630645
+195 3 0.227124 0.469134 0.615156
+197 3 0.181869 0.35119 0.631153
+199 2 0.0387196 0.414488 0.682513
+201 2 0.0384927 0.346099 0.638038
+203 2 0.984464 0.298356 0.683878
+205 2 0.257376 0.421272 0.679469
+207 2 0.263947 0.325095 0.634135
+209 2 0.97261 0.456785 0.636339
+211 3 0.0355807 0.432179 0.702328
+213 1 0.982208 0.382057 0.660853
+215 3 0.0431127 0.296195 0.634017
+217 3 0.0196846 0.277354 0.680061
+219 3 0.260712 0.417196 0.700664
+221 3 0.246795 0.329803 0.615026
+223 3 0.977703 0.466995 0.615651
+225 1 0.0654078 0.630459 0.764075
+227 2 0.0672348 0.54353 0.739637
+229 2 0.000228653 0.661557 0.737272
+231 2 0.105878 0.672998 0.739007
+233 2 0.124976 0.587309 0.782416
+235 2 0.0129885 0.59082 0.785611
+237 2 0.0634961 0.715472 0.783508
+239 1 0.120887 0.504526 0.760874
+241 3 0.0314517 0.526805 0.733499
+243 3 0.997092 0.711292 0.739681
+245 1 0.950966 0.618013 0.757388
+247 3 0.122066 0.672246 0.719077
+249 3 0.159533 0.565487 0.789316
+251 3 0.0102421 0.540246 0.7884
+255 2 0.181317 0.531758 0.735581
+257 2 0.167722 0.711602 0.781892
+259 2 0.232652 0.656398 0.740575
+261 2 0.954716 0.534061 0.737555
+263 2 0.280585 0.703402 0.785448
+265 2 0.238812 0.573591 0.785605
+267 3 0.186358 0.529937 0.714178
+269 1 0.227504 0.740969 0.760204
+271 3 0.165722 0.660177 0.784444
+273 3 0.207876 0.617858 0.739869
+275 3 0.964749 0.541054 0.716544
+277 3 0.981953 0.718234 0.783122
+281 1 0.141581 0.515568 0.658375
+283 2 0.140969 0.690274 0.685825
+285 2 0.206687 0.540221 0.67918
+287 2 0.0960301 0.559509 0.681398
+289 2 0.098718 0.718544 0.63925
+291 2 0.203613 0.719885 0.63633
+293 2 0.14817 0.597567 0.639712
+295 1 0.0927398 0.643094 0.661051
+297 3 0.174917 0.670011 0.693072
+299 3 0.227121 0.582828 0.683759
+301 1 0.266985 0.746427 0.658315
+303 3 0.0870693 0.543496 0.701389
+305 3 0.0988605 0.710976 0.618423
+307 3 0.184162 0.675349 0.63563
+309 3 0.155828 0.585725 0.619599
+311 2 0.0361039 0.676744 0.684956
+313 2 0.0449196 0.610883 0.63469
+315 2 0.981742 0.545668 0.68006
+317 2 0.263382 0.667439 0.681025
+319 2 0.2676 0.585913 0.634233
+321 2 0.972329 0.711245 0.641625
+323 3 0.0272081 0.679591 0.705522
+325 1 0.981467 0.632567 0.660563
+327 3 0.026355 0.616194 0.615498
+329 3 0.0176243 0.531534 0.672788
+331 3 0.255841 0.672586 0.701742
+333 3 0.261422 0.616615 0.617423
+335 3 0.983181 0.73791 0.624139
+337 1 0.0662918 0.884342 0.759864
+339 2 0.0672698 0.798587 0.731329
+341 2 0.00112586 0.909621 0.73799
+343 2 0.109911 0.930716 0.73757
+345 2 0.115917 0.833423 0.77742
+347 2 0.0119962 0.830488 0.779272
+349 2 0.0609684 0.955453 0.784485
+351 1 0.114423 0.753704 0.756506
+353 3 0.0302073 0.810703 0.727221
+355 3 0.985369 0.953258 0.73299
+357 1 0.951047 0.866344 0.759164
+359 3 0.130646 0.942473 0.719211
+361 3 0.15295 0.853744 0.776539
+363 3 0.0311595 0.78794 0.784623
+367 2 0.176752 0.773071 0.733432
+369 2 0.173122 0.9768 0.782942
+371 2 0.227453 0.912666 0.740956
+373 2 0.949819 0.789865 0.735009
+375 2 0.280867 0.950017 0.784424
+377 2 0.229473 0.81672 0.781733
+379 3 0.184606 0.782544 0.712666
+381 1 0.229198 0.999498 0.760893
+385 3 0.193612 0.885431 0.741751
+387 3 0.961649 0.799297 0.714633
+389 3 0.986863 0.94371 0.793977
+393 1 0.15068 0.763554 0.663455
+395 2 0.152921 0.926463 0.681967
+397 2 0.206479 0.798155 0.681785
+399 2 0.102355 0.815279 0.683059
+401 2 0.0994712 0.966199 0.637673
+403 2 0.205641 0.960623 0.635746
+405 2 0.153984 0.841069 0.636264
+407 1 0.0957751 0.887268 0.659874
+409 3 0.18157 0.896318 0.687669
+411 3 0.228485 0.839705 0.67798
+413 1 0.262852 0.992582 0.657812
+415 3 0.0881684 0.798394 0.702423
+417 3 0.0718197 0.00294853 0.635989
+419 3 0.193102 0.91343 0.633139
+421 3 0.154724 0.847455 0.614515
+423 2 0.0335036 0.924256 0.681627
+425 2 0.0398226 0.848612 0.637438
+427 2 0.979314 0.795735 0.682548
+429 2 0.262281 0.913621 0.681668
+431 2 0.265669 0.827961 0.637909
+433 2 0.977017 0.959472 0.636671
+435 3 0.0310785 0.9249 0.702778
+437 1 0.980295 0.878913 0.657892
+439 3 0.044116 0.798275 0.635856
+441 3 0.00817247 0.763123 0.688271
+443 3 0.256627 0.9219 0.702585
+445 3 0.243857 0.830294 0.620587
+447 3 0.976318 0.977284 0.616724
+449 1 0.396283 0.129197 0.756477
+451 2 0.395989 0.0421824 0.738158
+453 2 0.340396 0.153551 0.736614
+455 2 0.445837 0.170091 0.736978
+457 2 0.44755 0.0840709 0.780303
+459 2 0.338921 0.0811656 0.782108
+461 2 0.398157 0.203096 0.782285
+463 1 0.449161 0.00238918 0.76061
+465 3 0.369303 0.0164373 0.726582
+467 3 0.329202 0.200462 0.730219
+469 1 0.285761 0.116743 0.76003
+471 3 0.453005 0.174989 0.715927
+473 3 0.482656 0.108328 0.77389
+475 3 0.362767 0.0405335 0.784892
+479 2 0.511161 0.030289 0.736629
+481 2 0.510914 0.221207 0.781134
+483 2 0.56754 0.164673 0.736488
+485 2 0.275708 0.0362447 0.737236
+487 2 0.614615 0.206605 0.783927
+489 2 0.569057 0.0730036 0.779231
+491 3 0.526195 0.0367711 0.716279
+493 1 0.564977 0.251354 0.759694
+497 3 0.537696 0.131914 0.734941
+499 3 0.28359 0.0431912 0.716117
+501 3 0.306472 0.204314 0.796073
+505 1 0.476867 0.00777034 0.660951
+507 2 0.477964 0.180702 0.684992
+509 2 0.537478 0.0416761 0.682549
+511 2 0.432857 0.052071 0.684209
+513 2 0.426982 0.210717 0.640976
+515 2 0.52747 0.226057 0.640018
+517 2 0.473721 0.0866167 0.637251
+519 1 0.42738 0.135113 0.663784
+521 3 0.515892 0.167678 0.68573
+523 3 0.564452 0.077431 0.685287
+525 1 0.587771 0.24875 0.659981
+527 3 0.426979 0.0536365 0.705133
+529 3 0.419667 0.207618 0.620041
+531 3 0.528828 0.205453 0.620509
+533 3 0.480329 0.0842975 0.616472
+535 2 0.369688 0.159291 0.684388
+537 2 0.372282 0.0897099 0.635644
+539 2 0.313366 0.0365257 0.679622
+541 2 0.591299 0.167233 0.684199
+543 2 0.592598 0.0806668 0.639216
+545 2 0.314442 0.200728 0.640991
+547 3 0.360644 0.156152 0.705222
+549 1 0.318218 0.119222 0.660131
+551 3 0.393605 0.0548125 0.62629
+553 3 0.351023 0.0218389 0.683408
+555 3 0.580476 0.170385 0.7048
+557 3 0.556752 0.093653 0.633844
+559 3 0.351811 0.214352 0.640714
+561 1 0.399215 0.381495 0.759654
+563 2 0.402148 0.300278 0.736288
+565 2 0.342868 0.408525 0.737375
+567 2 0.44455 0.424345 0.738263
+569 2 0.456456 0.336102 0.781818
+571 2 0.347563 0.334082 0.783195
+573 2 0.400157 0.460145 0.781591
+575 1 0.454713 0.25363 0.759116
+577 3 0.364758 0.287213 0.739667
+579 3 0.34664 0.458303 0.734017
+581 1 0.291161 0.373275 0.759801
+583 3 0.44689 0.413909 0.71693
+585 3 0.491483 0.357596 0.780555
+587 3 0.352099 0.282782 0.781234
+591 2 0.512072 0.279878 0.733942
+593 2 0.504766 0.473486 0.782931
+595 2 0.568469 0.409185 0.736159
+597 2 0.287293 0.290346 0.736157
+599 2 0.61067 0.459207 0.782046
+601 2 0.571873 0.331441 0.783519
+603 3 0.515574 0.292845 0.712673
+605 1 0.561748 0.500883 0.75854
+609 3 0.532966 0.387607 0.736248
+611 3 0.297524 0.297089 0.715903
+613 3 0.317224 0.442351 0.796709
+617 1 0.473157 0.2622 0.662652
+619 2 0.47845 0.432745 0.682783
+621 2 0.53891 0.302368 0.681831
+623 2 0.426968 0.304745 0.685099
+625 2 0.428058 0.472343 0.638796
+627 2 0.534551 0.476382 0.634994
+629 2 0.469954 0.345388 0.639429
+631 1 0.420398 0.386774 0.661718
+633 3 0.517765 0.424657 0.684968
+635 3 0.548466 0.351942 0.684289
+637 1 0.590772 0.504627 0.656907
+639 3 0.417784 0.302262 0.706543
+641 3 0.430048 0.479755 0.617681
+643 3 0.524683 0.439721 0.620871
+645 3 0.485446 0.347089 0.619396
+647 2 0.365671 0.415907 0.681127
+649 2 0.367192 0.350073 0.634828
+651 2 0.308688 0.293176 0.681714
+653 2 0.590784 0.421013 0.68284
+655 2 0.592427 0.328332 0.635586
+657 2 0.30964 0.461724 0.635031
+659 3 0.360359 0.400846 0.701434
+661 1 0.310476 0.378046 0.653497
+663 3 0.383215 0.311106 0.623678
+665 3 0.344916 0.274153 0.680853
+667 3 0.584355 0.413091 0.704471
+669 3 0.554659 0.329198 0.630028
+671 3 0.344323 0.486038 0.635178
+673 1 0.396238 0.634222 0.757307
+675 2 0.393765 0.545149 0.736396
+677 2 0.336681 0.667934 0.740091
+679 2 0.442895 0.675912 0.732786
+681 2 0.449617 0.591509 0.778894
+683 2 0.343454 0.589503 0.784675
+685 2 0.401131 0.712072 0.781056
+687 1 0.45259 0.506052 0.757248
+689 3 0.35274 0.544469 0.733188
+691 3 0.325659 0.71327 0.73182
+693 1 0.285627 0.621849 0.763086
+695 3 0.451118 0.677342 0.711636
+697 3 0.484668 0.609739 0.773243
+699 3 0.360115 0.544826 0.787491
+703 2 0.508407 0.532901 0.735232
+705 2 0.505538 0.719742 0.780735
+707 2 0.565082 0.670739 0.739783
+709 2 0.290493 0.537699 0.738552
+711 2 0.620868 0.708647 0.783471
+713 2 0.567566 0.585569 0.782774
+715 3 0.521561 0.542274 0.715514
+717 1 0.563455 0.742263 0.761227
+721 3 0.53298 0.652579 0.730902
+723 3 0.279695 0.534372 0.717639
+725 3 0.317234 0.715935 0.790228
+729 1 0.478123 0.509968 0.661463
+731 2 0.481421 0.678982 0.680766
+733 2 0.539632 0.544031 0.680056
+735 2 0.430125 0.561948 0.682338
+737 2 0.42237 0.718744 0.638852
+739 2 0.540713 0.723957 0.634969
+741 2 0.479237 0.595084 0.637024
+743 1 0.426097 0.635235 0.660756
+745 3 0.52064 0.668634 0.679058
+747 3 0.55667 0.588901 0.68231
+749 1 0.595088 0.750408 0.658374
+751 3 0.42132 0.552475 0.702811
+753 3 0.396547 0.759546 0.638456
+755 3 0.55081 0.710188 0.614819
+757 3 0.517735 0.610709 0.637027
+759 2 0.364055 0.661163 0.682917
+761 2 0.376311 0.594622 0.634145
+763 2 0.312852 0.541195 0.680673
+765 2 0.586291 0.667149 0.684389
+767 2 0.599089 0.585021 0.64002
+769 2 0.312911 0.703202 0.633874
+771 3 0.36445 0.656305 0.703995
+773 1 0.317393 0.624425 0.65932
+775 3 0.3977 0.556016 0.626494
+777 3 0.339863 0.506947 0.687589
+779 3 0.586142 0.66657 0.706714
+781 3 0.598451 0.614852 0.622796
+783 3 0.343714 0.718818 0.622407
+785 1 0.391188 0.879595 0.759548
+787 2 0.393519 0.800227 0.737505
+789 2 0.33598 0.916353 0.738851
+791 2 0.443153 0.923148 0.737767
+793 2 0.449568 0.835706 0.78255
+795 2 0.337079 0.839354 0.783796
+797 2 0.394727 0.957382 0.784485
+799 1 0.453536 0.756837 0.757864
+801 3 0.356297 0.787068 0.733703
+803 3 0.317134 0.958268 0.734577
+805 1 0.279877 0.868191 0.763365
+807 3 0.452701 0.9309 0.717153
+809 3 0.484208 0.85778 0.779226
+811 3 0.355959 0.797534 0.790456
+815 2 0.505801 0.790107 0.736102
+817 2 0.503292 0.966324 0.783429
+819 2 0.562579 0.91317 0.740446
+821 2 0.287455 0.792457 0.737304
+823 2 0.614724 0.95247 0.783411
+825 2 0.567387 0.822788 0.781582
+827 3 0.509172 0.787008 0.714771
+829 1 0.559915 0.990522 0.76254
+833 3 0.528847 0.884781 0.738087
+835 3 0.288243 0.801472 0.715921
+837 3 0.318037 0.957873 0.789436
+841 1 0.478942 0.761803 0.660833
+843 2 0.476849 0.92451 0.682865
+845 2 0.535465 0.799666 0.682828
+847 2 0.424085 0.802578 0.683327
+849 2 0.429723 0.964464 0.63691
+851 2 0.534163 0.968392 0.63807
+853 2 0.47479 0.839926 0.638789
+855 1 0.424116 0.885291 0.660624
+857 3 0.513406 0.907495 0.686966
+859 3 0.561336 0.836182 0.687332
+861 1 0.589601 0.996131 0.659818
+863 3 0.415131 0.805422 0.704597
+865 3 0.443253 0.95973 0.616766
+867 3 0.513965 0.965534 0.619172
+869 3 0.474925 0.844493 0.6178
+871 2 0.370832 0.909064 0.683478
+873 2 0.373052 0.843256 0.636089
+875 2 0.317039 0.790063 0.68136
+877 2 0.592608 0.919461 0.68395
+879 2 0.594569 0.838922 0.638724
+881 2 0.31696 0.95026 0.636544
+883 3 0.360012 0.893382 0.702609
+885 1 0.316002 0.875039 0.657631
+887 3 0.377965 0.838788 0.614695
+889 3 0.353728 0.772401 0.683352
+891 3 0.58497 0.915141 0.704727
+893 3 0.556817 0.852858 0.639708
+895 3 0.35077 0.967504 0.628655
+897 1 0.732512 0.128004 0.75994
+899 2 0.731284 0.0559484 0.737888
+901 2 0.671494 0.172928 0.73953
+903 2 0.780552 0.179576 0.737581
+905 2 0.786839 0.0851763 0.781376
+907 2 0.675846 0.101754 0.784515
+909 2 0.733983 0.219259 0.78301
+911 1 0.784736 0.000711954 0.763598
+913 3 0.697856 0.0499983 0.726613
+915 3 0.657391 0.220762 0.741043
+917 1 0.620635 0.11799 0.756915
+919 3 0.796221 0.18006 0.718031
+921 3 0.819184 0.110238 0.785456
+927 2 0.850357 0.0332689 0.738348
+929 2 0.84408 0.212745 0.782122
+931 2 0.898399 0.16127 0.739948
+933 2 0.626615 0.0390358 0.737513
+935 2 0.953168 0.206528 0.781753
+937 2 0.912048 0.0711882 0.78534
+939 3 0.841513 0.0380836 0.717592
+941 1 0.897464 0.241282 0.758482
+945 3 0.866606 0.132993 0.734702
+947 3 0.623069 0.0325687 0.716928
+949 3 0.648764 0.199898 0.792965
+953 1 0.815868 0.0181995 0.6634
+955 2 0.813135 0.178517 0.682885
+957 2 0.873255 0.0518046 0.682837
+959 2 0.767033 0.0577851 0.684939
+961 2 0.761062 0.222968 0.640017
+963 2 0.867355 0.221247 0.638806
+965 2 0.813048 0.0905977 0.637999
+967 1 0.759842 0.140508 0.664587
+969 3 0.851438 0.168915 0.685161
+971 3 0.89285 0.0949637 0.688291
+973 1 0.928658 0.254184 0.659465
+975 3 0.76278 0.0586594 0.706144
+977 3 0.732874 0.251821 0.63324
+979 3 0.856168 0.171399 0.641221
+981 3 0.82807 0.0770183 0.619453
+983 2 0.694529 0.172233 0.685114
+985 2 0.708501 0.10031 0.640768
+987 2 0.644544 0.0478091 0.68405
+989 2 0.927739 0.172869 0.683638
+991 2 0.930973 0.0899506 0.634436
+993 2 0.638128 0.204956 0.638489
+995 3 0.6856 0.16748 0.706588
+997 1 0.649094 0.129485 0.660543
+999 3 0.724341 0.0710681 0.625347
+1001 3 0.676272 0.0183457 0.683715
+1003 3 0.928604 0.172134 0.704292
+1005 3 0.930738 0.0909934 0.612362
+1007 3 0.650086 0.208053 0.617947
+1009 1 0.736689 0.382365 0.761435
+1011 2 0.734419 0.306076 0.737184
+1013 2 0.672958 0.421633 0.740339
+1015 2 0.787498 0.430765 0.739893
+1017 2 0.788675 0.336722 0.783207
+1019 2 0.681323 0.347033 0.782715
+1021 2 0.734647 0.468418 0.785562
+1023 1 0.789091 0.252183 0.76125
+1025 3 0.7059 0.284967 0.725982
+1027 3 0.666488 0.472309 0.740359
+1029 1 0.617861 0.373886 0.7588
+1031 3 0.797331 0.427519 0.719303
+1033 3 0.826054 0.351165 0.77924
+1035 3 0.688339 0.300072 0.789653
+1039 2 0.846865 0.287362 0.736552
+1041 2 0.847915 0.467333 0.785846
+1043 2 0.900008 0.411596 0.739015
+1045 2 0.61941 0.289554 0.738745
+1047 2 0.954413 0.447637 0.784508
+1049 2 0.904507 0.323771 0.78202
+1051 3 0.847144 0.286433 0.71532
+1053 1 0.903106 0.489582 0.761716
+1057 3 0.864737 0.390415 0.735792
+1059 3 0.616105 0.290962 0.717152
+1061 3 0.637842 0.48359 0.794186
+1065 1 0.815639 0.266658 0.660549
+1067 2 0.808334 0.427448 0.686301
+1069 2 0.874476 0.294964 0.683977
+1071 2 0.76893 0.30878 0.682487
+1073 2 0.761365 0.461139 0.637621
+1075 2 0.866668 0.470361 0.637598
+1077 2 0.817022 0.341339 0.636548
+1079 1 0.755424 0.386586 0.660968
+1081 3 0.846644 0.419402 0.691296
+1083 3 0.891923 0.32116 0.699579
+1085 1 0.926562 0.501112 0.658237
+1087 3 0.758049 0.308006 0.70325
+1089 3 0.763495 0.478397 0.617739
+1091 3 0.854416 0.42282 0.633614
+1093 3 0.828483 0.334763 0.616314
+1095 2 0.701152 0.415776 0.683185
+1097 2 0.708217 0.348808 0.637799
+1099 2 0.642533 0.294414 0.681685
+1101 2 0.931395 0.426964 0.682994
+1103 2 0.931974 0.330366 0.639359
+1105 2 0.644186 0.453859 0.637932
+1107 3 0.69522 0.426423 0.703484
+1109 1 0.64451 0.372693 0.661849
+1111 3 0.698547 0.345895 0.616908
+1113 3 0.671347 0.261199 0.685239
+1115 3 0.930971 0.433249 0.704298
+1117 3 0.912887 0.341922 0.622174
+1119 3 0.68135 0.450714 0.632136
+1121 1 0.727418 0.635412 0.758085
+1123 2 0.736054 0.548207 0.739095
+1125 2 0.671469 0.662377 0.737299
+1127 2 0.778537 0.678439 0.738157
+1129 2 0.787875 0.598001 0.78247
+1131 2 0.674025 0.582896 0.782289
+1133 2 0.728186 0.711823 0.782305
+1135 1 0.791748 0.509194 0.761069
+1137 3 0.70057 0.541809 0.729844
+1139 3 0.658065 0.709176 0.734755
+1141 1 0.61796 0.61994 0.759365
+1143 3 0.79182 0.673832 0.718489
+1145 3 0.808792 0.642895 0.786321
+1147 3 0.696531 0.541069 0.783308
+1151 2 0.846366 0.535654 0.737628
+1153 2 0.839256 0.71773 0.783808
+1155 2 0.894793 0.664741 0.737016
+1157 2 0.614595 0.543079 0.737525
+1159 2 0.945279 0.696271 0.782021
+1161 2 0.909736 0.568836 0.78118
+1163 3 0.858661 0.53381 0.71687
+1165 1 0.897357 0.744213 0.760399
+1169 3 0.862993 0.636486 0.739381
+1171 3 0.6181 0.534193 0.716105
+1173 3 0.657573 0.716 0.790544
+1177 1 0.810433 0.504319 0.661922
+1179 2 0.809366 0.68212 0.686327
+1181 2 0.872341 0.53804 0.683173
+1183 2 0.762181 0.550969 0.685008
+1185 2 0.760721 0.714363 0.641066
+1187 2 0.86572 0.720837 0.640688
+1189 2 0.814213 0.591192 0.640446
+1191 1 0.761231 0.632693 0.662733
+1193 3 0.847357 0.674062 0.690247
+1195 3 0.883325 0.587378 0.682643
+1197 1 0.922765 0.749463 0.66367
+1199 3 0.759368 0.531844 0.705512
+1201 3 0.770227 0.710056 0.62027
+1203 3 0.861584 0.676881 0.630576
+1205 3 0.848664 0.580538 0.631483
+1207 2 0.703337 0.671847 0.685818
+1209 2 0.710531 0.595993 0.642375
+1211 2 0.652907 0.547784 0.683044
+1213 2 0.9245 0.667101 0.683985
+1215 2 0.93117 0.584997 0.635252
+1217 2 0.643685 0.704053 0.641127
+1219 3 0.701172 0.665373 0.707102
+1221 1 0.655603 0.626217 0.664851
+1223 3 0.705147 0.577995 0.622242
+1225 3 0.68609 0.51904 0.68009
+1227 3 0.918756 0.666618 0.705856
+1229 3 0.924264 0.592912 0.615439
+1231 3 0.669278 0.726394 0.628547
+1233 1 0.729667 0.886368 0.760872
+1235 2 0.733661 0.804877 0.739963
+1237 2 0.671942 0.913874 0.740021
+1239 2 0.781321 0.931103 0.739566
+1241 2 0.785226 0.843963 0.784934
+1243 2 0.67507 0.834333 0.78371
+1245 2 0.728692 0.963871 0.783255
+1247 1 0.788675 0.75733 0.759039
+1249 3 0.694318 0.796788 0.740586
+1251 3 0.661199 0.96264 0.739696
+1253 1 0.617145 0.868097 0.761622
+1255 3 0.796951 0.936815 0.719589
+1257 3 0.819529 0.867144 0.781561
+1259 3 0.694235 0.789344 0.786927
+1263 2 0.846209 0.78966 0.738041
+1265 2 0.838207 0.965318 0.785241
+1267 2 0.900151 0.917401 0.739968
+1269 2 0.620066 0.7894 0.736154
+1271 2 0.950778 0.95177 0.786275
+1273 2 0.903555 0.824556 0.782541
+1275 3 0.847806 0.792598 0.71659
+1277 1 0.897526 0.995072 0.763363
+1281 3 0.868077 0.886217 0.738301
+1283 3 0.62345 0.787818 0.714895
+1285 3 0.648205 0.978748 0.78322
+1289 1 0.812183 0.757612 0.663491
+1291 2 0.820895 0.931003 0.68798
+1293 2 0.872169 0.795055 0.684015
+1295 2 0.7673 0.808527 0.688248
+1297 2 0.762441 0.962074 0.644788
+1299 2 0.870954 0.975267 0.637824
+1301 2 0.813777 0.841133 0.643578
+1303 1 0.767269 0.889213 0.667285
+1305 3 0.857987 0.929196 0.694954
+1307 3 0.876721 0.846297 0.68291
+1309 1 0.925008 0.00403501 0.658825
+1311 3 0.75418 0.792354 0.706681
+1313 3 0.755735 0.968839 0.623807
+1315 3 0.870348 0.947842 0.619628
+1317 3 0.847267 0.864667 0.636974
+1319 2 0.703799 0.918172 0.687126
+1321 2 0.704432 0.84454 0.641358
+1323 2 0.642876 0.787199 0.68241
+1325 2 0.927514 0.925219 0.682672
+1327 2 0.929248 0.829701 0.638004
+1329 2 0.645595 0.95726 0.641058
+1331 3 0.688738 0.921716 0.70654
+1333 1 0.652263 0.876081 0.664057
+1335 3 0.71952 0.796362 0.642075
+1337 3 0.670753 0.753231 0.687875
+1339 3 0.934028 0.923985 0.704282
+1341 3 0.909256 0.831928 0.620291
+1343 3 0.68348 0.972182 0.638392
+1359 5 0.119454 0.962178 0.603596
+1391 5 0.867254 0.228349 0.601809
+1425 5 0.355838 0.59977 0.602568
+1485 5 0.0207701 0.874628 0.603003
+1607 5 0.605651 0.0553943 0.602538
+1628 5 0.621844 0.840914 0.611131
+1632 5 0.751205 0.870324 0.607616
+1757 5 0.312044 0.936678 0.602654
+1782 5 0.427323 0.699172 0.607448
+1878 5 0.112734 0.470413 0.606946
+2022 5 0.208285 0.247665 0.604171
+2075 5 0.0240735 0.378203 0.609039
+2148 5 0.353298 0.368648 0.602761
+2175 5 0.765544 0.201692 0.606383
+2291 5 0.21242 0.988338 0.607357
+2307 5 0.308789 0.187832 0.601967
+2330 5 0.622788 0.337682 0.60891
+2606 5 0.864455 0.485539 0.600276
+2619 5 0.616598 0.480503 0.60101
+2 1 0.0149234 0.129132 0.95881
+4 2 0.0114852 0.043886 0.938153
+6 2 0.953914 0.159963 0.93974
+8 2 0.0589963 0.173352 0.935438
+10 2 0.0681784 0.0790176 0.982116
+12 2 0.957856 0.0913904 0.987168
+14 2 0.0156887 0.203018 0.983685
+16 1 0.0652432 0.999255 0.958369
+18 3 0.973025 0.0481424 0.93189
+20 3 0.938546 0.207793 0.941539
+22 1 0.231118 0.121966 0.959201
+24 3 0.0707845 0.171999 0.914853
+28 3 0.960103 0.0467451 0.995797
+29 3 0.0629035 0.21091 0.805353
+30 3 0.978148 0.213184 0.989039
+32 2 0.119508 0.0280819 0.935081
+34 2 0.116229 0.216854 0.983536
+36 2 0.174561 0.164143 0.939145
+38 2 0.227932 0.0494038 0.937408
+40 2 0.223791 0.198183 0.984441
+42 2 0.16967 0.0745392 0.979941
+44 3 0.118417 0.0426869 0.91445
+46 1 0.178606 0.243668 0.960306
+47 3 0.17472 0.213132 0.803878
+48 3 0.107201 0.172565 0.992451
+50 3 0.14483 0.130072 0.939331
+52 3 0.234935 0.0493839 0.916156
+55 3 0.227165 0.0789403 0.803704
+56 3 0.131893 0.0844671 0.979932
+58 1 0.0969258 0.00594142 0.861128
+60 2 0.0957151 0.170268 0.882884
+62 2 0.155723 0.0389987 0.883278
+64 2 0.0385612 0.0454335 0.882574
+66 2 0.0420876 0.217307 0.836255
+68 2 0.148179 0.210776 0.839369
+70 2 0.0962236 0.0865813 0.839532
+72 1 0.0396334 0.13285 0.861563
+74 3 0.136252 0.164674 0.883636
+76 3 0.172272 0.0834145 0.887996
+78 1 0.202539 0.246454 0.859277
+80 3 0.0297325 0.0324346 0.903009
+82 3 0.00839367 0.242942 0.838531
+84 3 0.134624 0.164569 0.838594
+86 3 0.0988108 0.0962025 0.818095
+88 2 0.985405 0.166117 0.882526
+90 2 0.984903 0.0947915 0.836852
+92 2 0.256833 0.0406391 0.882214
+94 2 0.2038 0.157568 0.884025
+96 2 0.207994 0.0775973 0.838067
+98 2 0.252543 0.201481 0.838603
+100 3 0.974924 0.162644 0.903221
+102 1 0.263578 0.119112 0.861071
+104 3 0.998071 0.0956715 0.81686
+106 3 0.962497 0.0160874 0.883774
+108 3 0.199629 0.172807 0.903789
+110 3 0.171413 0.0969458 0.841166
+112 3 0.253795 0.200984 0.817416
+114 1 0.00950646 0.377878 0.958337
+116 2 0.014365 0.301181 0.933551
+118 2 0.948968 0.411295 0.938172
+120 2 0.0518446 0.429196 0.935663
+122 2 0.0689303 0.339226 0.978299
+124 2 0.956902 0.334077 0.980229
+126 2 0.0118689 0.447537 0.984843
+128 1 0.0664534 0.256468 0.95697
+130 3 0.976976 0.301903 0.926932
+132 3 0.931312 0.456591 0.940464
+134 1 0.225406 0.371149 0.959037
+136 3 0.0561589 0.424044 0.914216
+138 3 0.0891084 0.380811 0.984501
+140 3 0.960399 0.297556 0.995328
+141 3 0.0600607 0.462937 0.805351
+144 2 0.123773 0.283432 0.93734
+146 2 0.118673 0.465923 0.982498
+148 2 0.173552 0.407047 0.935303
+150 2 0.228085 0.294364 0.933387
+152 2 0.225599 0.450526 0.979362
+154 2 0.182089 0.323921 0.98316
+156 3 0.129008 0.280769 0.916924
+158 1 0.179194 0.507432 0.959357
+159 3 0.163417 0.459094 0.804619
+162 3 0.144154 0.373628 0.934309
+164 3 0.230931 0.299305 0.911943
+166 3 0.247505 0.441036 0.996274
+167 3 0.221284 0.329911 0.801644
+168 3 0.154961 0.330706 0.998507
+170 1 0.0956176 0.265109 0.857907
+172 2 0.0840349 0.42752 0.883479
+174 2 0.153419 0.289017 0.881441
+176 2 0.0483247 0.302658 0.879243
+178 2 0.0352307 0.463904 0.838972
+180 2 0.147713 0.456143 0.838055
+182 2 0.0991407 0.342239 0.83526
+184 1 0.036149 0.386827 0.861066
+186 3 0.115999 0.433108 0.895956
+188 3 0.159093 0.340508 0.883368
+190 1 0.205537 0.49779 0.858971
+192 3 0.0408022 0.29874 0.900086
+194 3 0.00260965 0.493602 0.842082
+196 3 0.130715 0.409703 0.837384
+198 3 0.0987296 0.337084 0.814011
+200 2 0.978976 0.408193 0.884942
+202 2 0.987568 0.335814 0.838335
+204 2 0.260185 0.285207 0.881512
+206 2 0.208589 0.41669 0.885466
+208 2 0.210383 0.326785 0.837224
+210 2 0.253879 0.450218 0.837795
+212 3 0.970388 0.407033 0.905852
+214 1 0.263505 0.371773 0.861401
+216 3 0.00204278 0.335193 0.817789
+218 3 0.952912 0.248458 0.880173
+220 3 0.197553 0.413683 0.906109
+222 3 0.172155 0.331559 0.832974
+224 3 0.252186 0.453106 0.816929
+226 1 0.0153137 0.627572 0.96043
+228 2 0.0145374 0.551987 0.938067
+230 2 0.955864 0.659283 0.93512
+232 2 0.063611 0.679137 0.938166
+234 2 0.0681909 0.587956 0.982571
+236 2 0.959198 0.592281 0.982886
+238 2 0.00970021 0.70847 0.983097
+240 1 0.0723593 0.499124 0.958466
+242 3 0.97693 0.543137 0.931035
+244 3 0.943962 0.707082 0.932191
+246 1 0.234461 0.629875 0.958709
+248 3 0.0770258 0.689692 0.918231
+250 3 0.0754315 0.629713 0.993899
+253 3 0.0521883 0.706647 0.803146
+254 3 0.970641 0.715757 0.982782
+256 2 0.12576 0.531185 0.937316
+258 2 0.115126 0.718633 0.984184
+260 2 0.173907 0.667108 0.935867
+262 2 0.231757 0.544053 0.935969
+264 2 0.223317 0.705865 0.982859
+266 2 0.179178 0.582512 0.982468
+268 3 0.119909 0.535872 0.916017
+270 1 0.172164 0.741935 0.958283
+274 3 0.144866 0.633857 0.933045
+276 3 0.239753 0.53727 0.915165
+279 3 0.231395 0.573597 0.807316
+280 3 0.151949 0.619019 0.988292
+282 1 0.091731 0.507073 0.859265
+284 2 0.0920516 0.682467 0.882072
+286 2 0.150062 0.534846 0.880424
+288 2 0.0485053 0.55938 0.882775
+290 2 0.0388925 0.710673 0.837458
+292 2 0.14681 0.713382 0.837077
+294 2 0.0876645 0.584447 0.836428
+296 1 0.0359158 0.632406 0.858131
+298 3 0.12893 0.665437 0.879765
+300 3 0.166898 0.581473 0.882093
+302 1 0.205115 0.741474 0.858275
+304 3 0.0383444 0.558587 0.903078
+306 3 0.00714686 0.741548 0.8386
+308 3 0.144412 0.713177 0.814896
+310 3 0.099512 0.589898 0.816677
+312 2 0.983827 0.660042 0.882192
+314 2 0.982981 0.585884 0.83815
+316 2 0.26122 0.535224 0.881109
+318 2 0.203997 0.655146 0.882835
+320 2 0.210071 0.576372 0.837462
+322 2 0.254452 0.692281 0.838123
+324 3 0.975791 0.656053 0.903631
+326 1 0.259982 0.619291 0.860248
+328 3 0.990366 0.594351 0.817063
+330 3 0.963314 0.506442 0.886513
+332 3 0.185419 0.663142 0.901873
+334 3 0.17951 0.607526 0.834955
+336 3 0.260396 0.69255 0.816529
+338 1 0.00718641 0.881745 0.956821
+340 2 0.00546994 0.79755 0.938172
+342 2 0.950098 0.91303 0.937091
+344 2 0.0622156 0.916653 0.934568
+346 2 0.0615223 0.832858 0.982818
+348 2 0.947136 0.848438 0.982634
+350 2 0.0148707 0.955784 0.981783
+352 1 0.0673504 0.757381 0.95939
+354 3 0.967031 0.785836 0.934935
+356 3 0.93502 0.959197 0.934213
+358 1 0.234511 0.872009 0.957812
+360 3 0.0695573 0.910068 0.913772
+364 3 0.953465 0.807436 0.993774
+365 3 0.0655027 0.954457 0.806564
+368 2 0.122368 0.78717 0.936201
+370 2 0.119771 0.95245 0.981266
+372 2 0.177838 0.909952 0.935898
+374 2 0.236944 0.792389 0.934881
+376 2 0.228819 0.950891 0.982489
+378 2 0.179168 0.829667 0.98083
+380 3 0.134151 0.791762 0.915784
+382 1 0.178293 0.993081 0.957811
+383 3 0.167061 0.968646 0.803493
+384 3 0.0950591 0.914342 0.986284
+386 3 0.143116 0.888686 0.931882
+388 3 0.24285 0.798879 0.913803
+390 3 0.262734 0.946376 0.993492
+391 3 0.217804 0.815647 0.802232
+392 3 0.143678 0.848561 0.983238
+394 1 0.0975184 0.758331 0.860173
+396 2 0.0952537 0.925116 0.882461
+398 2 0.156128 0.784119 0.881739
+400 2 0.0497585 0.804209 0.882856
+402 2 0.0418788 0.963472 0.839951
+404 2 0.147472 0.959943 0.840235
+406 2 0.0961997 0.835775 0.834171
+408 1 0.0403848 0.882424 0.863658
+410 3 0.132703 0.924473 0.889501
+412 3 0.16333 0.833019 0.876658
+414 1 0.204592 0.992735 0.859184
+416 3 0.0400798 0.793142 0.90412
+418 3 0.0149266 0.999863 0.838967
+420 3 0.12889 0.916615 0.8348
+422 3 0.0921322 0.830206 0.813031
+424 2 0.980514 0.906979 0.88577
+426 2 0.990369 0.844571 0.837269
+428 2 0.264416 0.786723 0.881939
+430 2 0.212083 0.912295 0.882343
+432 2 0.205338 0.823267 0.839111
+434 2 0.255331 0.947146 0.838773
+436 3 0.973802 0.901811 0.906742
+438 1 0.262895 0.871895 0.859647
+440 3 0.993616 0.848948 0.81628
+442 3 0.967986 0.75951 0.883751
+444 3 0.208167 0.912698 0.903956
+446 3 0.173117 0.840034 0.829465
+448 3 0.267333 0.95954 0.818488
+450 1 0.344909 0.129891 0.959
+452 2 0.339585 0.0446356 0.936333
+454 2 0.286018 0.159761 0.938569
+456 2 0.389309 0.178046 0.935302
+458 2 0.390617 0.0779021 0.979299
+460 2 0.285614 0.0898523 0.983675
+462 2 0.349973 0.207961 0.981467
+464 1 0.389644 0.999775 0.959747
+466 3 0.30714 0.0497164 0.923553
+468 3 0.292282 0.209266 0.942604
+470 1 0.560674 0.11744 0.960477
+472 3 0.392233 0.189624 0.914836
+474 3 0.387511 0.0881776 0.999942
+476 3 0.287797 0.0392913 0.980864
+477 3 0.396742 0.203649 0.803622
+478 3 0.318993 0.227367 0.991822
+480 2 0.454356 0.0276638 0.937219
+482 2 0.451927 0.218739 0.982618
+484 2 0.510651 0.163525 0.937575
+486 2 0.558737 0.037342 0.938039
+488 2 0.558697 0.192218 0.983838
+490 2 0.511671 0.0740435 0.981856
+492 3 0.463623 0.0430725 0.917447
+494 1 0.509202 0.243061 0.958656
+495 3 0.503207 0.210738 0.802191
+496 3 0.424268 0.197595 0.994608
+498 3 0.473487 0.143559 0.93732
+500 3 0.571232 0.0357581 0.917328
+503 3 0.5633 0.0804826 0.800152
+504 3 0.479392 0.0988136 0.987812
+506 1 0.424026 0.00883249 0.861127
+508 2 0.420131 0.174837 0.881341
+510 2 0.490185 0.0351637 0.880212
+512 2 0.376065 0.0547264 0.882501
+514 2 0.371149 0.210885 0.838639
+516 2 0.490363 0.207598 0.834396
+518 2 0.426622 0.0865187 0.835979
+520 1 0.36902 0.129795 0.861217
+522 3 0.458917 0.165544 0.883068
+524 3 0.502632 0.0812572 0.886026
+526 1 0.544952 0.238045 0.860649
+528 3 0.371867 0.0576388 0.904145
+530 3 0.343287 0.239894 0.830205
+532 3 0.480267 0.159992 0.830813
+534 3 0.426203 0.0849917 0.814318
+536 2 0.310628 0.163197 0.884753
+538 2 0.315934 0.092303 0.839215
+540 2 0.598655 0.0303208 0.884077
+542 2 0.536756 0.15578 0.881698
+544 2 0.544441 0.0646341 0.835029
+546 2 0.592351 0.189739 0.837192
+548 3 0.302203 0.165786 0.905634
+550 1 0.592207 0.113312 0.857269
+552 3 0.322865 0.0787255 0.819019
+554 3 0.282175 0.00476661 0.887417
+556 3 0.541037 0.15654 0.902998
+558 3 0.511185 0.0534067 0.82553
+560 3 0.593853 0.196675 0.815807
+562 1 0.339558 0.379426 0.957327
+564 2 0.335318 0.299312 0.933619
+566 2 0.282354 0.417742 0.934538
+568 2 0.392886 0.41882 0.934826
+570 2 0.398705 0.336237 0.975896
+572 2 0.285181 0.345162 0.979842
+574 2 0.345359 0.462821 0.979361
+576 1 0.394572 0.256849 0.956421
+578 3 0.296351 0.300602 0.930473
+580 3 0.268503 0.466019 0.937407
+582 1 0.569989 0.360804 0.958446
+584 3 0.40815 0.424445 0.91522
+586 3 0.419214 0.379701 0.972406
+588 3 0.285187 0.325586 0.998741
+589 3 0.402842 0.461457 0.803296
+592 2 0.452981 0.284786 0.934848
+594 2 0.449038 0.464162 0.981745
+596 2 0.513951 0.404599 0.940438
+598 2 0.563944 0.291789 0.934858
+600 2 0.553764 0.441991 0.986531
+602 2 0.517178 0.319501 0.980663
+604 3 0.448046 0.284241 0.913575
+606 1 0.510554 0.488431 0.959542
+607 3 0.496813 0.462522 0.803544
+610 3 0.489947 0.367857 0.933488
+612 3 0.575273 0.284941 0.914535
+615 3 0.567656 0.329239 0.804399
+616 3 0.50331 0.363697 0.987872
+618 1 0.42956 0.253353 0.857662
+620 2 0.428833 0.420991 0.885994
+622 2 0.484581 0.282262 0.879013
+624 2 0.38458 0.29688 0.884094
+626 2 0.373333 0.458581 0.840465
+628 2 0.479497 0.456393 0.839313
+630 2 0.429984 0.333891 0.837261
+632 1 0.376812 0.374094 0.864273
+634 3 0.467173 0.413855 0.889812
+636 3 0.500648 0.329634 0.878801
+638 1 0.536539 0.496755 0.858503
+640 3 0.368139 0.290657 0.902791
+642 3 0.337777 0.478235 0.8451
+644 3 0.466677 0.406859 0.836888
+646 3 0.435516 0.337356 0.816187
+648 2 0.318553 0.41 0.881484
+650 2 0.321293 0.338076 0.839612
+652 2 0.59455 0.288633 0.88159
+654 2 0.538334 0.401213 0.882777
+656 2 0.545651 0.324494 0.837032
+658 2 0.585063 0.452449 0.835706
+660 3 0.311354 0.41335 0.903431
+662 1 0.592685 0.370854 0.857751
+664 3 0.329196 0.341967 0.819414
+666 3 0.28815 0.249282 0.880975
+668 3 0.537747 0.401373 0.903664
+670 3 0.512413 0.320484 0.826532
+672 3 0.59593 0.451494 0.814865
+674 1 0.346314 0.632992 0.957134
+676 2 0.344729 0.550572 0.931901
+678 2 0.281927 0.673221 0.93689
+680 2 0.394678 0.673078 0.934537
+682 2 0.395684 0.582805 0.977778
+684 2 0.288215 0.592098 0.978328
+686 2 0.347718 0.704752 0.98162
+688 1 0.399235 0.501831 0.955462
+690 3 0.30685 0.537409 0.928337
+692 3 0.27077 0.722058 0.933879
+694 1 0.566513 0.616542 0.961865
+696 3 0.405991 0.675669 0.913944
+698 3 0.431002 0.603561 0.977918
+700 3 0.290014 0.542147 0.974555
+701 3 0.390886 0.713669 0.801154
+704 2 0.458614 0.532551 0.934516
+706 2 0.453846 0.711688 0.981152
+708 2 0.514114 0.66155 0.938067
+710 2 0.566211 0.531948 0.939078
+712 2 0.560291 0.695875 0.984186
+714 2 0.511526 0.573226 0.981618
+716 3 0.462197 0.537866 0.91291
+718 1 0.517325 0.745288 0.959288
+719 3 0.499057 0.712801 0.801537
+722 3 0.481925 0.633137 0.936129
+724 3 0.576891 0.527817 0.918714
+726 3 0.580621 0.729589 0.996418
+727 3 0.554415 0.574696 0.802292
+730 1 0.427786 0.50496 0.857414
+732 2 0.425744 0.674662 0.880543
+734 2 0.483513 0.538877 0.880504
+736 2 0.381707 0.550821 0.880153
+738 2 0.368637 0.711969 0.838569
+740 2 0.477818 0.714251 0.83512
+742 2 0.428084 0.585384 0.835549
+744 1 0.369473 0.625584 0.861984
+746 3 0.463131 0.66525 0.887154
+748 3 0.500595 0.587142 0.880663
+750 1 0.536648 0.739208 0.859147
+752 3 0.375092 0.538425 0.900753
+754 3 0.33352 0.736623 0.836525
+756 3 0.459358 0.669178 0.836671
+758 3 0.428515 0.591392 0.813566
+760 2 0.315921 0.653618 0.884007
+762 2 0.319327 0.588121 0.838065
+764 2 0.587897 0.530374 0.881905
+766 2 0.539905 0.659573 0.883786
+768 2 0.538822 0.573736 0.837547
+770 2 0.585709 0.696069 0.835418
+772 3 0.310432 0.658953 0.90467
+774 1 0.592839 0.614848 0.857784
+776 3 0.323147 0.590046 0.816081
+778 3 0.290017 0.500066 0.880828
+780 3 0.539204 0.66295 0.905508
+782 3 0.501256 0.586324 0.831901
+784 3 0.596231 0.695845 0.814201
+786 1 0.349819 0.873735 0.959758
+788 2 0.34552 0.800205 0.93623
+790 2 0.287121 0.916755 0.93695
+792 2 0.389792 0.923799 0.93574
+794 2 0.39995 0.832469 0.979349
+796 2 0.288084 0.834749 0.9807
+798 2 0.339047 0.954617 0.982228
+800 1 0.404886 0.754394 0.956829
+802 3 0.306529 0.799417 0.929536
+804 3 0.299718 0.964358 0.939376
+806 1 0.565129 0.876703 0.963523
+808 3 0.398272 0.931911 0.915755
+810 3 0.413408 0.834902 0.999606
+812 3 0.286649 0.784251 0.978739
+813 3 0.388516 0.955947 0.805949
+816 2 0.461287 0.783748 0.935677
+818 2 0.443816 0.964125 0.982239
+820 2 0.508164 0.904953 0.939985
+822 2 0.570277 0.790852 0.937325
+824 2 0.550891 0.952817 0.983867
+826 2 0.520247 0.823612 0.983625
+828 3 0.461758 0.787867 0.914213
+830 1 0.504197 0.997905 0.959548
+831 3 0.494483 0.960064 0.804273
+832 3 0.451014 0.915963 0.977399
+834 3 0.482142 0.86856 0.935742
+836 3 0.575131 0.803206 0.917242
+839 3 0.554532 0.823295 0.801836
+842 1 0.424583 0.753747 0.858414
+844 2 0.425056 0.930783 0.882744
+846 2 0.486515 0.784689 0.87973
+848 2 0.381363 0.800649 0.882988
+850 2 0.368813 0.958791 0.836024
+852 2 0.475809 0.960986 0.835604
+854 2 0.425182 0.839193 0.837161
+856 1 0.371972 0.879936 0.861111
+858 3 0.460013 0.910487 0.886274
+860 3 0.508424 0.82721 0.884848
+862 1 0.53956 0.98472 0.862484
+864 3 0.363864 0.797131 0.902545
+866 3 0.332018 0.97336 0.840442
+868 3 0.46445 0.911937 0.836297
+870 3 0.435499 0.838894 0.816146
+872 2 0.318278 0.91455 0.882226
+874 2 0.318622 0.839071 0.835947
+876 2 0.590664 0.783368 0.882278
+878 2 0.53753 0.906195 0.884217
+880 2 0.542831 0.824178 0.83701
+882 2 0.589411 0.945093 0.839328
+884 3 0.311791 0.903846 0.902688
+886 1 0.592809 0.861906 0.859991
+888 3 0.324643 0.847348 0.81463
+890 3 0.294714 0.754426 0.884866
+892 3 0.534457 0.911262 0.905367
+894 3 0.50553 0.840526 0.836412
+896 3 0.59168 0.950539 0.818051
+898 1 0.669596 0.129983 0.95607
+900 2 0.684341 0.051757 0.936368
+902 2 0.612375 0.169178 0.937005
+904 2 0.722023 0.176621 0.935716
+906 2 0.730512 0.0902806 0.980841
+908 2 0.621177 0.0835918 0.977199
+910 2 0.662032 0.2125 0.984624
+912 1 0.733749 0.00877722 0.960151
+914 3 0.661061 0.0118147 0.931052
+916 3 0.595883 0.215828 0.939368
+918 1 0.905827 0.116622 0.9646
+920 3 0.736783 0.16834 0.916278
+922 3 0.758001 0.127593 0.980429
+923 3 0.663633 0.106981 0.805069
+924 3 0.628009 0.033676 0.980117
+925 3 0.731405 0.21987 0.804124
+926 3 0.625634 0.197041 0.988574
+928 2 0.793499 0.0407276 0.9385
+930 2 0.784295 0.210261 0.979995
+932 2 0.84704 0.157303 0.938433
+934 2 0.900319 0.039334 0.939776
+936 2 0.894379 0.203826 0.981619
+938 2 0.850908 0.0814799 0.985061
+940 3 0.801353 0.0364287 0.916962
+942 1 0.843244 0.240251 0.957277
+943 3 0.829337 0.212091 0.802235
+944 3 0.788946 0.18585 0.998824
+946 3 0.816974 0.124307 0.940768
+948 3 0.904351 0.0422226 0.918931
+950 3 0.909709 0.236801 0.996412
+951 3 0.892648 0.0587726 0.803028
+954 1 0.760148 0.00922352 0.860999
+956 2 0.756664 0.171441 0.88351
+958 2 0.822376 0.0334537 0.88557
+960 2 0.716173 0.0495725 0.884436
+962 2 0.699292 0.21284 0.843985
+964 2 0.808579 0.209275 0.835482
+966 2 0.760973 0.0894282 0.836997
+968 1 0.70353 0.132028 0.862224
+970 3 0.793836 0.159274 0.884208
+972 3 0.829495 0.0835302 0.890543
+974 1 0.865194 0.241347 0.855356
+976 3 0.703728 0.0574637 0.904182
+978 3 0.659848 0.221017 0.841777
+980 3 0.788663 0.165344 0.833218
+982 3 0.761787 0.0817539 0.815208
+984 2 0.646767 0.15459 0.88521
+986 2 0.656304 0.0875462 0.838956
+988 2 0.928647 0.0424662 0.881606
+990 2 0.872496 0.164448 0.882583
+992 2 0.87443 0.0747242 0.83801
+994 2 0.919897 0.195655 0.836235
+996 3 0.640313 0.163868 0.90595
+998 1 0.924833 0.120738 0.856967
+1000 3 0.663029 0.0380986 0.839059
+1002 3 0.631527 0.00175246 0.884296
+1004 3 0.867573 0.163495 0.904224
+1006 3 0.842503 0.0970499 0.829825
+1008 3 0.932933 0.203322 0.815653
+1010 1 0.677657 0.378913 0.958852
+1012 2 0.679738 0.298706 0.935054
+1014 2 0.622803 0.414698 0.937414
+1016 2 0.721158 0.430395 0.93545
+1018 2 0.735579 0.33353 0.976537
+1020 2 0.623033 0.336922 0.979692
+1022 2 0.681192 0.453944 0.986334
+1024 1 0.732999 0.257611 0.953929
+1026 3 0.648344 0.303284 0.922829
+1028 3 0.606291 0.456942 0.944755
+1030 1 0.898239 0.366273 0.961409
+1032 3 0.735604 0.433363 0.915386
+1034 3 0.760669 0.373326 0.978676
+1036 3 0.633736 0.286378 0.98342
+1037 3 0.721806 0.459643 0.80612
+1040 2 0.789946 0.282432 0.932914
+1042 2 0.786667 0.472539 0.98352
+1044 2 0.843931 0.418385 0.938704
+1046 2 0.896071 0.288698 0.937533
+1048 2 0.893424 0.451998 0.98168
+1050 2 0.846476 0.323159 0.983235
+1052 3 0.794858 0.291208 0.911926
+1054 1 0.845111 0.495009 0.958913
+1055 3 0.83545 0.467496 0.80675
+1058 3 0.808869 0.393867 0.936753
+1060 3 0.896976 0.286339 0.915461
+1062 3 0.931283 0.455474 0.989291
+1063 3 0.899631 0.332366 0.802968
+1064 3 0.825649 0.346683 0.997796
+1066 1 0.756469 0.260676 0.858462
+1068 2 0.759854 0.428303 0.885025
+1070 2 0.819178 0.289749 0.87898
+1072 2 0.711009 0.305452 0.881896
+1074 2 0.70744 0.462593 0.840368
+1076 2 0.816471 0.462747 0.837452
+1078 2 0.759815 0.334285 0.836174
+1080 1 0.706123 0.386666 0.863604
+1082 3 0.798766 0.413731 0.885742
+1084 3 0.835401 0.336415 0.879066
+1086 1 0.877089 0.497518 0.85981
+1088 3 0.700975 0.29939 0.902969
+1090 3 0.676031 0.493205 0.837735
+1092 3 0.809417 0.415035 0.831061
+1094 3 0.772985 0.336943 0.815877
+1096 2 0.64505 0.409181 0.884878
+1098 2 0.647115 0.342675 0.836798
+1100 2 0.925522 0.286399 0.88223
+1102 2 0.869909 0.410426 0.883724
+1104 2 0.872701 0.324033 0.834182
+1106 2 0.923665 0.448446 0.838443
+1108 3 0.643837 0.42017 0.906428
+1110 1 0.931809 0.37088 0.8584
+1112 3 0.661342 0.343497 0.817406
+1114 3 0.629456 0.266678 0.885525
+1116 3 0.862028 0.408787 0.905167
+1118 3 0.847189 0.329219 0.818038
+1120 3 0.930468 0.449919 0.81719
+1122 1 0.673863 0.63418 0.958325
+1124 2 0.68511 0.550192 0.936629
+1126 2 0.615844 0.662864 0.938121
+1128 2 0.724235 0.676873 0.932396
+1130 2 0.739671 0.594639 0.977117
+1132 2 0.623629 0.584608 0.983379
+1134 2 0.678836 0.710835 0.977743
+1136 1 0.733697 0.50942 0.960476
+1138 3 0.66127 0.55102 0.919051
+1140 3 0.597204 0.708488 0.934948
+1142 1 0.906061 0.618885 0.960138
+1144 3 0.733778 0.678012 0.912085
+1146 3 0.769773 0.623657 0.969704
+1148 3 0.621832 0.535389 0.988238
+1149 3 0.732668 0.709624 0.80385
+1150 3 0.650333 0.72416 0.990537
+1152 2 0.793526 0.535736 0.935316
+1154 2 0.789754 0.711415 0.97859
+1156 2 0.846715 0.66118 0.935569
+1158 2 0.904331 0.538649 0.937795
+1160 2 0.900643 0.703074 0.978953
+1162 2 0.853811 0.577462 0.982328
+1164 3 0.802134 0.526566 0.91444
+1166 1 0.848257 0.743833 0.955934
+1167 3 0.842043 0.719834 0.804731
+1168 3 0.772891 0.696856 0.996936
+1170 3 0.820633 0.623479 0.936273
+1172 3 0.911028 0.543811 0.916605
+1174 3 0.891443 0.702364 0.999709
+1175 3 0.899051 0.57696 0.801538
+1178 1 0.763649 0.510013 0.860412
+1180 2 0.762611 0.672861 0.881364
+1182 2 0.820484 0.5398 0.880868
+1184 2 0.71408 0.550184 0.883865
+1186 2 0.711155 0.711228 0.838938
+1188 2 0.81782 0.710759 0.839016
+1190 2 0.758892 0.582001 0.835945
+1192 1 0.70443 0.628262 0.860671
+1194 3 0.794228 0.660107 0.893031
+1196 3 0.826759 0.583928 0.889776
+1198 1 0.877521 0.74138 0.858217
+1200 3 0.713424 0.54804 0.905196
+1202 3 0.680268 0.742265 0.839965
+1204 3 0.811358 0.66197 0.841258
+1206 3 0.759669 0.591331 0.814822
+1208 2 0.648085 0.659256 0.881356
+1210 2 0.652421 0.589017 0.838044
+1212 2 0.933682 0.540877 0.885455
+1214 2 0.877325 0.663673 0.883058
+1216 2 0.87567 0.568564 0.834764
+1218 2 0.924328 0.694353 0.835964
+1220 3 0.641505 0.669919 0.901846
+1222 1 0.932925 0.620073 0.861515
+1224 3 0.657183 0.583554 0.816256
+1226 3 0.615195 0.493687 0.884322
+1228 3 0.868697 0.67209 0.903574
+1230 3 0.841865 0.572687 0.824274
+1232 3 0.931729 0.689079 0.814743
+1234 1 0.678538 0.882936 0.960272
+1236 2 0.679357 0.805272 0.938085
+1238 2 0.619503 0.925717 0.939061
+1240 2 0.729606 0.930691 0.938723
+1242 2 0.733913 0.835 0.981988
+1244 2 0.627972 0.85296 0.983839
+1246 2 0.681358 0.969848 0.983448
+1248 1 0.733841 0.759618 0.955941
+1250 3 0.643028 0.788885 0.933827
+1252 3 0.603334 0.971888 0.935938
+1254 1 0.894181 0.876793 0.963695
+1256 3 0.740282 0.936266 0.91817
+1261 3 0.71646 0.968292 0.803318
+1264 2 0.794951 0.78828 0.933796
+1266 2 0.787113 0.971521 0.983936
+1268 2 0.847475 0.918698 0.940647
+1270 2 0.902527 0.786131 0.936862
+1272 2 0.889041 0.959222 0.986643
+1274 2 0.841945 0.823177 0.983874
+1276 3 0.793343 0.790009 0.912883
+1278 1 0.842098 0.00340028 0.962254
+1279 3 0.831238 0.957004 0.80655
+1282 3 0.810507 0.900184 0.938578
+1284 3 0.907101 0.793766 0.915631
+1287 3 0.898058 0.825816 0.803478
+1288 3 0.804305 0.837782 0.983528
+1290 1 0.766888 0.754037 0.86098
+1292 2 0.759369 0.927674 0.882508
+1294 2 0.82756 0.790442 0.880082
+1296 2 0.718224 0.795612 0.887351
+1298 2 0.701465 0.955401 0.839457
+1300 2 0.814869 0.960547 0.838936
+1302 2 0.761638 0.836574 0.840703
+1304 1 0.708854 0.875551 0.866911
+1306 3 0.797028 0.919651 0.887512
+1308 3 0.844416 0.838441 0.880947
+1310 1 0.873787 0.992484 0.861737
+1312 3 0.70645 0.800499 0.90824
+1314 3 0.665901 0.941958 0.83271
+1316 3 0.799357 0.914835 0.838957
+1318 3 0.763042 0.841566 0.819504
+1320 2 0.64401 0.898869 0.885857
+1322 2 0.653234 0.837038 0.839132
+1324 2 0.934851 0.785233 0.878391
+1326 2 0.870759 0.908545 0.884216
+1328 2 0.877441 0.818034 0.83516
+1330 2 0.918885 0.94243 0.837699
+1332 3 0.632364 0.90963 0.906187
+1334 1 0.931415 0.866284 0.858676
+1336 3 0.666041 0.83926 0.819236
+1338 3 0.624671 0.757473 0.883602
+1340 3 0.876539 0.915258 0.9055
+1342 3 0.841966 0.831845 0.82944
+1344 3 0.926261 0.94114 0.816892
diff --git a/tools/lmp2cfg/examples/lmp2cfg_inp.txt b/tools/lmp2cfg/examples/lmp2cfg_inp.txt
new file mode 100755
index 0000000000..e9f44c9b3d
--- /dev/null
+++ b/tools/lmp2cfg/examples/lmp2cfg_inp.txt
@@ -0,0 +1,25 @@
+7
+'dump.atom'
+1
+3
+1
+26.98154
+'ao'
+2
+15.9994
+'oh'
+3
+1.00794
+'ho'
+4
+15.9994
+'o*'
+5
+1.00794
+'h*'
+6
+35.4527
+'Cl'
+7
+207.2
+'Pb'
diff --git a/tools/lmp2cfg/lmp2cfg.f b/tools/lmp2cfg/lmp2cfg.f
new file mode 100755
index 0000000000..9255e7d7bc
--- /dev/null
+++ b/tools/lmp2cfg/lmp2cfg.f
@@ -0,0 +1,185 @@
+*23456789|123456789|123456789|123456789|123456789|123456789|123456789|12
+c----------------------------------------------------------------------
+ program lammps to cfg
+c----------------------------------------------------------------------
+*Programming by Jeff Greathouse and Ara Kooser
+*Version 1.0 9/1/04
+*Sandia National Labs
+*Converts LAMMPS atom dump to .cfg files for AtomEye
+*This program is provided as is. Please see the README file.
+c----------------------------------------------------------------------
+ implicit real*8 (a-h,o-z)
+
+ character*12 inhist,snapshot
+ character*4 fftype(100),name,ciframe
+
+ integer natom,iatom,itype(50000),q
+ integer atype(99),itycon,ntype,mass(99)
+
+ dimension x(50000),y(50000),z(50000)
+ dimension amass(99)
+
+
+c-------Reads in the user input file-------------------------------
+
+ read(*,*) ntype
+ read(*,*) inhist
+ read(*,*) iframe1
+ read(*,*) iframe2
+c write(*,*) ntype
+c write(*,*) inhist
+ do 1, i=1, ntype
+
+ read(*,*) atype(i)
+ read(*,*) amass(i)
+ mass(i)=anint(amass(i))
+ read(*,*) fftype(i)
+
+
+c write(*,*) atype(i)
+c write(*,*) amass(i)
+c write(*,*) fftype(i)
+ 1 continue
+
+c-------Lammps output file is 9, reads in lmps header--------------
+
+ name=inhist(1:4)
+ open(9,file=inhist,status='old',form='formatted',err=999)
+c open(2,status='new',form='formatted')
+
+
+ iatom=0
+ iframe=0
+ jframe=0
+
+c---------------------------------------------------------------------
+c----------This begins the frame by frame reading section-------------
+
+ 9999 continue
+
+ read(9,*,end=999)
+ read(9,*,end=999)
+ read(9,*,end=999)
+ read(9,*,end=999) natom
+ read(9,*,end=999)
+ read(9,50,end=999) xcell
+ read(9,50,end=999) ycell
+ read(9,50,end=999) zcell
+ read(9,*,end=999)
+
+ 50 format(2x,f12.5)
+
+
+
+ 1000 format(1x,i5,1x,i2,3f9.5)
+
+
+
+
+
+
+
+ do 440 j=1,natom
+ 420 read(9,*,end=999)iatom,itype(iatom),x(iatom),y(iatom),z(iatom)
+
+
+*23456789|123456789|123456789|123456789|123456789|123456789|123456789|12
+
+
+
+
+ 440 continue
+
+ jframe=jframe+1
+ if(jframe.lt.iframe1)goto 9999
+ iframe=iframe+1
+
+ if(iframe.ge.iframe2) goto 999
+
+
+c--------------------------------------------------------------------
+c-------This section writes each ts to a seperate .cfg file----------
+
+c ciframe=char(iframe)
+c snapshot(iframe)=name//ciframe//'.cfg'
+c write(*,*)ciframe
+
+c write(snapshot,'("Cfgs/",i7.7,".cfg")') iframe
+ ciframe='.cfg'
+c write(*,*)ciframe
+ write(snapshot,'(i5.5,a4)')iframe,ciframe
+c write(*,*)snapshot
+ open(unit=iframe+20,file=snapshot,status='new',
+ * form='formatted',err=999)
+
+ write((iframe+20),'(a22,i7)')'Number of particles = ',natom
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),*)
+ write((iframe+20),'(a16)')'A = 1.5 Angstrom'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),*)
+ write((iframe+20),435)'H0(1,1) = ',xcell,' A'
+ write((iframe+20),'(a14)')'H0(1,2) = 0 A'
+ write((iframe+20),'(a14)')'H0(1,3) = 0 A'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),*)
+ write((iframe+20),'(a14)')'H0(2,1) = 0 A'
+ write((iframe+20),435)'H0(2,2) = ',ycell,' A'
+ write((iframe+20),'(a14)')'H0(2,3) = 0 A'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),*)
+ write((iframe+20),'(a14)')'H0(3,1) = 0 A'
+ write((iframe+20),'(a14)')'H0(3,2) = 0 A'
+ write((iframe+20),435)'H0(3,3) = ',zcell,' A'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),*)
+ write((iframe+20),'(a12)')'eta(1,1) = 0'
+ write((iframe+20),'(a12)')'eta(1,2) = 0'
+ write((iframe+20),'(a12)')'eta(1,3) = 0'
+ write((iframe+20),'(a12)')'eta(2,2) = 0'
+ write((iframe+20),'(a12)')'eta(2,3) = 0'
+ write((iframe+20),'(a12)')'eta(3,3) = 0'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),*)
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),*)
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),*)
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),'(a1)')'#'
+ write((iframe+20),'(a1)')'#'
+
+ 435 format(a11,f10.5,a2)
+
+ do 460, j=1,natom
+
+ do 450,i=1,ntype
+c write(*,*)i,amass(i),fftype(i)
+c write(*,*)ntype
+ if(itype(j).eq.atype(i))
+ * write((iframe+20),445)mass(i),fftype(i),x(j),
+ * y(j),z(j),' 0',' 0',' 0'
+
+c---445 is the format for writing atom data to .cfg file------------
+ 445 format(i3.3,1x,a2,1x,3f9.6,3a2)
+
+ 450 continue
+
+ 460 continue
+
+ go to 9999
+
+ 999 continue
+ close(9)
+
+
+
+ 200 continue
+
+ stop
+ end
diff --git a/tools/lmp2traj/README.txt b/tools/lmp2traj/README.txt
new file mode 100755
index 0000000000..56746ce157
--- /dev/null
+++ b/tools/lmp2traj/README.txt
@@ -0,0 +1,78 @@
+README.txt
+
+lmp2traj
+
+Version 1.0
+Ara Kooser
+8/1/04
+
+Contents
+I. Before you start
+II. Introduction
+III. Compiling the program
+IV. Running the program
+
+I. Before you start
+
+1) Read the READMEFIRST file
+2) You will need either f77 or g77 compiler
+3) A text editor (VI or emacs)
+4) LAMMPS
+5) A graphing program that can do contours
+6) A sense of adventure and humor
+
+II. Introduction
+
+This program will take a LAMMPS atom dump file and provide the following three
+files.
+1) data for making contour maps
+2) density profile
+3) dipole information
+
+III. Compiling the program
+
+To compile the program run either ./f77 lmp2traj.f or
+./g77 traj.f
+
+IV. Running the program
+
+First you need to create a user input file. There is an example of an input file
+in the examples folder.
+
+The input file reads like this:
+
+'atom' # dump file name, needs the ' '
+1 # first frame
+60 # last frame
+38.26119 # x dimension of the box
+44.26119 # y dimension of the box
+48.33150 # z dimension of the box
+90. # angles of the box, always 90
+90. # angles of the box, always 90
+90. # angles of the box, always 90
+82844.6 # volumne of the box in cubic Angstroms
+5 # water oxygen atom type from LAMMPS (#)
+6 # water hydrogen atom type from LAMMPS(#)
+0. # leave at 0
+5. # number of atom types
+0. # z shift leave at 0
+5. # number of density maps
+'Surface (1) ho' # Enter name/description of atom
+2 # atom type number from LAMMPS
+'ho' # Column name for data
+0 # Defines inner sphere, in A
+48.3 # Defines out sphere, in A
+
+
+Make sure you have the input file and the LAMMPS atom dump file in the same
+directory.
+
+To run the program type
+ lmp2traj < inp_file.txt > out
+
+This should give you three files like in the examples/output folder.
+
+
+
+
+
diff --git a/tools/lmp2traj/examples/dump.atom b/tools/lmp2traj/examples/dump.atom
new file mode 100644
index 0000000000..15eed7fe63
--- /dev/null
+++ b/tools/lmp2traj/examples/dump.atom
@@ -0,0 +1,15147 @@
+ITEM: TIMESTEP
+0
+ITEM: NUMBER OF ATOMS
+5040
+ITEM: BOX BOUNDS
+0 29
+0 38.2612
+0 44.7998
+ITEM: ATOMS
+6 2 0.0128126 0.285326 0.0269111
+7 1 0.254263 0.146748 0.0747134
+8 2 0.25307 0.161941 0.055462
+9 2 0.221114 0.136753 0.0766662
+10 1 0.336956 0.101456 0.0624377
+11 2 0.310347 0.117308 0.0686946
+12 2 0.344593 0.114757 0.0430855
+13 1 0.117106 0.285279 0.0375226
+14 2 0.0884653 0.286501 0.0250207
+15 2 0.10687 0.269002 0.0533503
+16 1 0.258596 0.0192883 0.0577893
+17 2 0.239526 0.039737 0.0492847
+18 2 0.256767 0.00348364 0.0397078
+19 1 0.00446372 0.0594207 0.0435464
+20 2 0.00562101 0.0554383 0.0661439
+22 1 0.178248 0.0606883 0.0501148
+23 2 0.152716 0.0703375 0.0372524
+24 2 0.172111 0.0652941 0.0721351
+25 1 0.159099 0.102456 0.101464
+26 2 0.124423 0.105185 0.106743
+27 2 0.176128 0.111794 0.119704
+28 1 0.0810408 0.10802 0.126875
+29 2 0.0836352 0.0857544 0.138923
+30 2 0.0803091 0.126766 0.142554
+31 1 0.238777 0.0341098 0.288853
+32 2 0.217602 0.0208522 0.274959
+33 2 0.268941 0.0367707 0.27773
+34 1 0.349427 0.0278385 0.0749485
+35 2 0.348042 0.054142 0.0686752
+36 2 0.316345 0.0185199 0.0710787
+43 1 0.0736948 0.0255111 0.141233
+44 2 0.0432075 0.0145513 0.146967
+45 2 0.0715025 0.0256487 0.118004
+50 2 0.104903 0.139094 0.321649
+51 2 0.0838344 0.099528 0.330082
+58 1 0.318181 0.128545 0.265373
+59 2 0.301586 0.14819 0.255956
+60 2 0.333474 0.113381 0.249486
+61 1 0.307846 0.104393 0.199069
+62 2 0.27506 0.100858 0.207625
+63 2 0.312159 0.0865584 0.182285
+64 1 0.0522759 0.000837569 0.206141
+91 1 0.101719 0.0497678 0.315694
+93 2 0.095018 0.025667 0.306886
+149 2 0.0444377 0.186321 0.0185291
+157 1 0.0109532 0.197156 0.0504076
+158 2 0.0174894 0.193809 0.0728169
+159 2 0.0234431 0.221202 0.0465252
+166 1 0.0814951 0.0922729 0.0273565
+167 2 0.056462 0.07682 0.0368138
+168 2 0.0765537 0.09396 0.00439793
+170 2 0.156371 0.158966 0.000385085
+172 1 0.086797 0.302467 0.124318
+173 2 0.0951575 0.326871 0.118794
+174 2 0.0514927 0.299412 0.120384
+175 1 0.12152 0.2501 0.243723
+176 2 0.153052 0.250084 0.252177
+177 2 0.10925 0.274517 0.249825
+178 1 0.191664 0.322174 0.160439
+179 2 0.169491 0.306192 0.171089
+180 2 0.196633 0.312249 0.139522
+181 1 0.125293 0.371593 0.122924
+182 2 0.132517 0.360563 0.102475
+183 2 0.152809 0.385501 0.129958
+185 2 0.134682 0.279433 0.00261861
+190 1 0.148635 0.266271 0.185077
+191 2 0.132758 0.25713 0.20253
+192 2 0.182042 0.25756 0.186425
+193 1 0.0616446 0.297016 0.189679
+194 2 0.0880518 0.296626 0.174913
+195 2 0.0461002 0.320162 0.186679
+198 2 0.0175545 0.269185 0.212689
+199 1 0.166574 0.223086 0.317332
+200 2 0.176127 0.242319 0.303275
+202 1 0.256318 0.318577 0.259257
+203 2 0.252822 0.329045 0.239263
+204 2 0.277273 0.334525 0.271854
+205 1 0.207895 0.256344 0.261281
+206 2 0.234059 0.238234 0.261695
+207 2 0.224519 0.279862 0.258659
+208 1 0.16522 0.179669 0.208076
+209 2 0.186921 0.198236 0.207736
+210 2 0.16023 0.173745 0.229662
+214 1 0.0905034 0.179187 0.167745
+215 2 0.122587 0.188451 0.171697
+216 2 0.079803 0.172528 0.189351
+220 1 0.106289 0.17328 0.294894
+221 2 0.127066 0.193567 0.298844
+222 2 0.0749318 0.180288 0.302763
+226 1 0.302802 0.281489 0.304149
+227 2 0.333664 0.27532 0.294222
+228 2 0.288341 0.296632 0.287624
+232 1 0.236905 0.0986151 0.23555
+233 2 0.253091 0.0932108 0.255349
+234 2 0.209005 0.113626 0.242124
+235 1 0.0859809 0.084229 0.220222
+236 2 0.0596187 0.0779757 0.20593
+237 2 0.0777144 0.104322 0.233471
+238 1 0.16776 0.12272 0.269853
+239 2 0.142754 0.141397 0.275807
+240 2 0.150304 0.100055 0.267066
+334 1 0.228146 0.181892 0.0258437
+335 2 0.234183 0.190484 0.00524278
+336 2 0.193253 0.18378 0.0291782
+337 1 0.0468099 0.331982 0.0183136
+338 2 0.020287 0.343797 0.00717544
+339 2 0.076694 0.340584 0.0093646
+340 1 0.0214596 0.388126 0.12812
+341 2 0.0554675 0.389708 0.130491
+342 2 0.0163078 0.378346 0.107448
+343 1 0.351973 0.490131 0.0909957
+344 2 0.319656 0.494365 0.0825247
+345 2 0.353024 0.464465 0.0974908
+346 1 0.107859 0.477464 0.00858363
+347 2 0.0747291 0.48056 0.0150853
+348 2 0.118813 0.45858 0.022544
+352 1 0.149412 0.33268 0.0771101
+353 2 0.174494 0.31731 0.0872548
+354 2 0.133595 0.31835 0.061299
+355 1 0.0304941 0.356975 0.0750648
+356 2 0.0403084 0.346719 0.0554377
+358 1 0.288339 0.411784 0.0813929
+359 2 0.273874 0.435614 0.0749654
+360 2 0.26101 0.39461 0.0794612
+361 1 0.0849219 0.464696 0.166553
+362 2 0.0539267 0.478111 0.16248
+363 2 0.103877 0.473324 0.149786
+364 1 0.0330724 0.499776 0.223886
+365 2 0.0380313 0.473858 0.227888
+367 1 0.0770036 0.313578 0.266084
+368 2 0.0818664 0.339923 0.263147
+369 2 0.0427086 0.309429 0.26598
+370 1 0.180584 0.403879 0.233424
+371 2 0.153216 0.391956 0.223054
+372 2 0.177521 0.429006 0.226629
+373 1 0.122802 0.482668 0.313548
+374 2 0.150956 0.481229 0.327694
+376 1 0.128999 0.379468 0.187257
+377 2 0.147174 0.397906 0.177641
+378 2 0.125019 0.362245 0.16983
+382 1 0.0627804 0.430156 0.219231
+383 2 0.0629246 0.442766 0.200077
+384 2 0.053607 0.405405 0.213027
+385 1 0.0827536 0.387706 0.266662
+386 2 0.0818792 0.406471 0.249901
+387 2 0.0587997 0.396031 0.281224
+390 2 0.214274 0.371984 0.316556
+394 1 0.155962 0.476275 0.208806
+396 2 0.134256 0.468766 0.192969
+400 1 0.148669 0.300037 0.308821
+401 2 0.124299 0.304464 0.293416
+402 2 0.177881 0.311281 0.301961
+406 1 0.171035 0.386853 0.296219
+407 2 0.171311 0.387483 0.273079
+408 2 0.137483 0.392333 0.300511
+487 1 0.19981 0.390785 0.0585284
+488 2 0.186883 0.368766 0.0686126
+489 2 0.212027 0.379457 0.0403389
+511 1 0.238415 0.475591 0.160838
+512 2 0.265181 0.460934 0.154763
+513 2 0.248179 0.485757 0.180654
+522 2 0.00910858 0.399312 0.037689
+526 1 0.137902 0.492536 0.124152
+527 2 0.150311 0.470523 0.113642
+595 1 0.0541076 0.440422 0.316159
+596 2 0.0286103 0.458625 0.316059
+597 2 0.0843475 0.454759 0.313707
+888 2 0.183213 0.00221606 0.232761
+899 2 0.267022 0.00216282 0.31163
+901 1 0.187523 0.0217895 0.198964
+902 2 0.205364 0.00887343 0.183484
+903 2 0.179913 0.0439955 0.189093
+1012 1 0.0121395 0.155777 0.0991498
+1013 2 0.0373037 0.138938 0.105937
+1015 1 0.360182 0.140227 0.0112098
+1016 2 0.381645 0.120543 0.00406857
+1017 2 0.377726 0.159344 0.0243547
+1021 1 0.416679 0.152394 0.110191
+1022 2 0.403359 0.164922 0.0913147
+1023 2 0.435484 0.170398 0.121596
+1024 1 0.414757 0.00914064 0.0365862
+1025 2 0.386776 0.0155009 0.0512399
+1026 2 0.401278 0.00212759 0.016136
+1027 1 0.150475 0.0045582 0.00643699
+1028 2 0.116885 0.00109236 0.0152527
+1029 2 0.165652 0.0217164 0.020624
+1033 1 0.275054 0.167361 0.171537
+1034 2 0.297906 0.148091 0.170823
+1035 2 0.263027 0.168048 0.193767
+1036 1 0.193273 0.149549 0.147819
+1037 2 0.172135 0.151492 0.165952
+1038 2 0.226251 0.151671 0.156353
+1042 1 0.320821 0.0134572 0.192606
+1044 2 0.320216 0.0284817 0.173572
+1045 1 0.360813 0.199594 0.199506
+1046 2 0.370077 0.212104 0.180563
+1047 2 0.391011 0.1951 0.209845
+1048 1 0.305477 0.0611371 0.150987
+1049 2 0.328275 0.0749863 0.137008
+1050 2 0.273128 0.0637987 0.141959
+1052 2 0.231663 0.00178126 0.0893307
+1062 2 0.203612 0.0329447 0.320139
+1071 2 0.483032 0.152125 0.326656
+1072 1 0.458568 0.111348 0.271
+1073 2 0.48682 0.0943931 0.269762
+1074 2 0.44198 0.107171 0.251124
+1177 1 0.405304 0.253103 0.038905
+1178 2 0.437072 0.261607 0.0441986
+1179 2 0.400144 0.260869 0.0175594
+1180 1 0.152594 0.190781 0.0992814
+1181 2 0.138035 0.174034 0.0843881
+1182 2 0.163703 0.176325 0.116319
+1183 1 0.328054 0.336895 0.0398941
+1184 2 0.324592 0.317193 0.0553879
+1185 2 0.35936 0.347615 0.0439623
+1186 1 0.264461 0.256099 0.0250015
+1187 2 0.254543 0.243737 0.0441834
+1188 2 0.243728 0.245865 0.00780788
+1189 1 0.301345 0.308037 0.126402
+1190 2 0.319722 0.300028 0.107951
+1191 2 0.310098 0.291888 0.143657
+1195 1 0.132734 0.145605 0.0558113
+1196 2 0.141033 0.123166 0.0671955
+1197 2 0.109346 0.135699 0.0406993
+1198 1 0.375518 0.185466 0.0606368
+1199 2 0.394037 0.206586 0.0528683
+1200 2 0.341579 0.193239 0.05979
+1201 1 0.236187 0.357826 0.208555
+1202 2 0.209548 0.371397 0.217641
+1203 2 0.224385 0.348104 0.188606
+1204 1 0.259656 0.43079 0.277864
+1205 2 0.226531 0.423149 0.276949
+1206 2 0.27871 0.408938 0.281806
+1207 1 0.376938 0.258782 0.280024
+1208 2 0.392835 0.234601 0.28031
+1209 2 0.392055 0.26991 0.262466
+1210 1 0.43275 0.328047 0.260038
+1211 2 0.442619 0.322185 0.238927
+1212 2 0.426356 0.354089 0.260782
+1213 1 0.314989 0.374182 0.28664
+1214 2 0.34871 0.372782 0.280213
+1215 2 0.316263 0.366175 0.309204
+1216 1 0.236874 0.231653 0.0801419
+1217 2 0.207235 0.217573 0.0841955
+1218 2 0.263654 0.221499 0.0926564
+1219 1 0.134592 0.0692561 0.16868
+1220 2 0.118691 0.0467957 0.160143
+1221 2 0.125794 0.07599 0.189768
+1222 1 0.385233 0.22333 0.138885
+1223 2 0.360555 0.211478 0.126594
+1224 2 0.403529 0.240131 0.125566
+1240 1 0.281412 0.182496 0.234257
+1241 2 0.282913 0.193573 0.256082
+1242 2 0.307719 0.191177 0.220759
+1243 1 0.235377 0.238283 0.188724
+1244 2 0.254627 0.217729 0.181997
+1245 2 0.256186 0.259966 0.187152
+1267 1 0.251055 0.125056 0.313894
+1268 2 0.221308 0.119948 0.303712
+1269 2 0.274766 0.124666 0.297055
+1327 1 0.346573 0.285892 0.00219433
+1328 2 0.314975 0.276373 0.00585382
+1329 2 0.349392 0.306375 0.0162327
+1346 2 0.33757 0.42967 0.011189
+1351 1 0.311617 0.436261 0.147565
+1352 2 0.344594 0.442368 0.149313
+1353 2 0.308325 0.410604 0.143379
+1354 1 0.389241 0.495046 0.0311966
+1355 2 0.379658 0.472798 0.0211653
+1356 2 0.383079 0.491035 0.0529927
+1357 1 0.401156 0.455595 0.171456
+1358 2 0.430766 0.444783 0.180126
+1359 2 0.379943 0.458438 0.189475
+1360 1 0.461625 0.315502 0.0018183
+1367 2 0.224532 0.457644 0.00125729
+1368 2 0.216864 0.422037 0.0199953
+1369 1 0.396059 0.360565 0.174966
+1370 2 0.423918 0.374345 0.182205
+1371 2 0.366032 0.369142 0.184219
+1372 1 0.250775 0.477849 0.227453
+1373 2 0.25556 0.459772 0.244368
+1374 2 0.217278 0.476684 0.22083
+1375 1 0.323929 0.388573 0.212216
+1376 2 0.32705 0.414072 0.219889
+1377 2 0.290333 0.378914 0.213888
+1378 1 0.33732 0.272995 0.169154
+1379 2 0.356794 0.252113 0.161338
+1380 2 0.339371 0.27092 0.191709
+1383 2 0.496261 0.496803 0.3213
+1387 1 0.219065 0.299068 0.100574
+1388 2 0.251409 0.303418 0.108313
+1389 2 0.221108 0.274621 0.0904812
+1390 1 0.200723 0.40654 0.151739
+1391 2 0.210475 0.431652 0.150978
+1392 2 0.229118 0.39097 0.149987
+1495 1 0.418419 0.415961 0.0399745
+1496 2 0.426918 0.390084 0.0460417
+1497 2 0.444011 0.421466 0.0248177
+1510 1 0.24147 0.352991 0.0156011
+1511 2 0.273294 0.346589 0.0243473
+1512 2 0.223761 0.330556 0.013003
+1528 1 0.252848 0.480289 0.0651639
+1529 2 0.232303 0.495766 0.0772462
+1530 2 0.244123 0.487828 0.045176
+1552 1 0.342325 0.457804 0.227998
+1553 2 0.31207 0.468796 0.219387
+1554 2 0.346337 0.473661 0.245702
+1555 1 0.282421 0.368883 0.150332
+1556 2 0.276567 0.366097 0.172866
+1557 2 0.290586 0.343749 0.142295
+1576 1 0.327163 0.449135 0.328119
+1577 2 0.305386 0.448984 0.310101
+1876 1 0.308744 0.0373589 0.251639
+1877 2 0.32281 0.0539335 0.237967
+1878 2 0.306374 0.0152348 0.239099
+1879 1 0.446045 0.0360182 0.328364
+1880 2 0.464508 0.0508001 0.314383
+1881 2 0.42344 0.0225605 0.315326
+1882 1 0.434668 0.0369932 0.226778
+1883 2 0.463837 0.0472483 0.217614
+1884 2 0.439307 0.012373 0.234187
+1885 1 0.392529 0.0997609 0.221133
+1886 2 0.360853 0.103442 0.210699
+1887 2 0.401808 0.0747036 0.217729
+1897 1 0.383761 0.125058 0.304139
+1898 2 0.358566 0.12536 0.288416
+1899 2 0.413868 0.122061 0.292513
+1915 1 0.385354 0.00583602 0.288521
+1916 2 0.383095 0.0187522 0.26766
+1994 2 0.0480664 7.44757e-05 0.00224917
+2022 2 0.404841 0.0537907 0.00300894
+2044 1 0.36368 0.0979485 0.118489
+2045 2 0.35316 0.0942767 0.097051
+2046 2 0.385517 0.118706 0.116457
+2056 1 0.484374 0.0472182 0.0824338
+2057 2 0.469526 0.0366411 0.0646587
+2060 2 0.379815 0.00139498 0.103914
+2062 1 0.492621 0.110699 0.108914
+2063 2 0.464448 0.127312 0.105265
+2064 2 0.481575 0.0872799 0.0996497
+2072 2 0.497826 0.142349 0.27815
+2084 2 0.49651 0.0945484 0.196217
+2185 1 0.497834 0.27536 0.0411093
+2186 2 0.486951 0.289827 0.0221346
+2188 1 0.427052 0.349056 0.0571247
+2189 2 0.44895 0.331813 0.0469158
+2190 2 0.434521 0.34689 0.0793977
+2191 1 0.493239 0.19258 0.140106
+2192 2 0.498361 0.218411 0.143693
+2197 1 0.423572 0.28588 0.116052
+2198 2 0.458789 0.283814 0.109203
+2199 2 0.414968 0.31247 0.117556
+2209 1 0.350709 0.284881 0.0786253
+2210 2 0.376665 0.281126 0.0935908
+2211 2 0.359219 0.26815 0.060683
+2212 1 0.42502 0.279578 0.332338
+2213 2 0.416825 0.273514 0.310742
+2218 1 0.46085 0.21088 0.201239
+2219 2 0.489317 0.216522 0.213019
+2220 2 0.468152 0.194545 0.184711
+2224 1 0.490652 0.13076 0.170097
+2225 2 0.494531 0.121949 0.148862
+2226 2 0.482481 0.155576 0.166591
+2227 1 0.302535 0.191797 0.112422
+2228 2 0.290274 0.169836 0.101455
+2229 2 0.294974 0.185923 0.133973
+2230 1 0.411707 0.192511 0.282717
+2231 2 0.443918 0.183825 0.281204
+2232 2 0.393428 0.175361 0.295702
+2233 1 0.470907 0.408727 0.297682
+2234 2 0.440852 0.400308 0.288647
+2235 2 0.463231 0.415659 0.319003
+2251 1 0.277497 0.208721 0.291756
+2252 2 0.292953 0.231269 0.296344
+2253 2 0.276774 0.195318 0.310873
+2353 1 0.461191 0.438246 0.09911
+2354 2 0.428071 0.430977 0.0997091
+2355 2 0.462851 0.463691 0.0925436
+2368 1 0.484404 0.477367 0.0118314
+2370 2 0.456744 0.488437 0.0209852
+2371 1 0.37383 0.415384 0.0928625
+2372 2 0.384033 0.421526 0.0718042
+2373 2 0.339231 0.408593 0.0909763
+2374 1 0.40898 0.353945 0.116929
+2375 2 0.409625 0.357526 0.140537
+2376 2 0.392605 0.375664 0.109112
+2393 2 0.48443 0.316931 0.179478
+2395 1 0.43946 0.285158 0.203398
+2396 2 0.449748 0.260675 0.205089
+2397 2 0.41943 0.286264 0.18522
+2416 1 0.481721 0.43021 0.202688
+2418 2 0.49294 0.422226 0.182733
+2419 1 0.395337 0.394638 0.259672
+2420 2 0.404308 0.418033 0.251121
+2421 2 0.370791 0.385384 0.244945
+2564 2 0.404065 0.499029 0.147941
+3047 2 0.469105 0.096829 0.0107577
+3260 2 0.493865 0.229547 0.325975
+3425 2 0.492701 0.329804 0.28278
+4045 1 0.0962956 0.243746 0.0830706
+4046 2 0.114357 0.226725 0.0963165
+4047 2 0.0920865 0.264706 0.0966342
+4074 2 0.00713171 0.00552302 0.256014
+4078 1 0.00783828 0.0711047 0.190908
+4079 2 0.001825 0.060447 0.170473
+4080 2 0.0132509 0.0506243 0.205064
+4096 1 0.0472343 0.129734 0.254449
+4097 2 0.0505023 0.144327 0.235024
+4098 2 0.0575094 0.146142 0.271126
+4231 1 0.0612137 0.196094 0.229248
+4232 2 0.0879898 0.211284 0.235601
+4233 2 0.0357232 0.213034 0.230546
+4234 1 0.0297457 0.23362 0.155652
+4235 2 0.0548482 0.215483 0.153191
+4236 2 0.0429061 0.252255 0.169336
+4264 1 0.0186399 0.181949 0.313811
+4265 2 0.000609891 0.201216 0.304151
+4378 1 0.112952 0.429688 0.0610653
+4379 2 0.145098 0.417999 0.0570693
+4380 2 0.0958783 0.412436 0.0748635
+4395 2 0.00140184 0.360233 0.149931
+4402 1 0.00843791 0.496256 0.151195
+4546 1 0.0212965 0.476255 0.0243736
+4547 2 0.00674432 0.45192 0.0261731
+4548 2 0.0283176 0.48613 0.0456533
+4549 1 0.0625948 0.491486 0.0758772
+4550 2 0.0795616 0.471226 0.0681282
+4551 2 0.0593022 0.489315 0.0983799
+4921 1 0.0284863 0.0529433 0.260267
+4922 2 0.0292149 0.0804352 0.261022
+4923 2 0.0550246 0.0493775 0.246096
+37 1 0.19647 0.172564 0.35403
+38 2 0.208602 0.153974 0.340157
+39 2 0.187825 0.193198 0.341454
+49 1 0.092952 0.123818 0.339431
+55 1 0.254055 0.112206 0.397023
+56 2 0.244818 0.102843 0.376234
+57 2 0.285272 0.100635 0.40081
+70 1 0.12139 0.0673315 0.396666
+71 2 0.15444 0.0653105 0.389717
+72 2 0.117311 0.0602929 0.418143
+73 1 0.027715 0.147366 0.500212
+74 2 0.0201763 0.123802 0.508631
+75 2 0.04719 0.142044 0.482433
+76 1 0.206375 0.164484 0.448687
+77 2 0.191452 0.18428 0.43749
+78 2 0.189079 0.143933 0.440912
+79 1 0.247791 0.0768943 0.51892
+80 2 0.260266 0.0947924 0.504631
+81 2 0.235624 0.0569245 0.506467
+82 1 0.0864546 0.045696 0.517278
+83 2 0.105657 0.0243164 0.516111
+84 2 0.0537715 0.0379654 0.521802
+85 1 0.0728693 0.125542 0.436351
+86 2 0.055084 0.148768 0.433113
+87 2 0.0936952 0.1275 0.418334
+92 2 0.0836648 0.052101 0.335783
+98 2 0.107601 0.113656 0.662581
+103 1 0.0476568 0.0202662 0.588282
+104 2 0.0750854 0.0328744 0.597378
+105 2 0.0190404 0.0237058 0.599731
+106 1 0.196101 0.137303 0.544424
+107 2 0.212492 0.115645 0.535804
+108 2 0.163353 0.130003 0.549184
+112 1 0.00303106 0.189302 0.555484
+139 1 0.00202599 0.0868961 0.588489
+141 2 0.00884032 0.072953 0.570477
+201 2 0.148414 0.234125 0.33409
+223 1 0.0100512 0.155128 0.373343
+225 2 0.0353936 0.140498 0.363076
+229 1 0.0666448 0.256055 0.422424
+230 2 0.0606506 0.275609 0.406676
+231 2 0.0635535 0.267569 0.442939
+242 2 0.00497567 0.246035 0.419936
+247 1 0.0178237 0.287736 0.527075
+248 2 0.0401195 0.284665 0.544233
+249 2 0.00625229 0.312533 0.529548
+250 1 0.0918045 0.288497 0.574563
+251 2 0.0979278 0.265376 0.58335
+252 2 0.117297 0.295755 0.560273
+253 1 0.145375 0.319854 0.531621
+254 2 0.164463 0.339904 0.538848
+255 2 0.146056 0.327198 0.510073
+256 1 0.129025 0.15019 0.389921
+257 2 0.154688 0.160119 0.376536
+258 2 0.113431 0.134576 0.374397
+262 1 0.034152 0.192691 0.444972
+263 2 0.0357664 0.197628 0.467203
+264 2 0.0458255 0.216648 0.437922
+268 1 0.00186731 0.35942 0.625749
+270 2 0.0224984 0.343777 0.640062
+271 1 0.0748081 0.158121 0.644057
+272 2 0.0946018 0.177198 0.634639
+273 2 0.0447054 0.155496 0.633466
+274 1 0.11678 0.21807 0.613307
+275 2 0.114036 0.202453 0.595542
+276 2 0.148068 0.228806 0.609993
+283 1 0.0421112 0.217104 0.500936
+284 2 0.0375687 0.230552 0.520089
+285 2 0.034462 0.192295 0.508808
+388 1 0.229712 0.358681 0.333336
+389 2 0.206282 0.358976 0.349689
+391 1 0.207575 0.417229 0.479737
+392 2 0.21854 0.392227 0.478074
+393 2 0.212019 0.426092 0.459447
+397 1 0.203826 0.473853 0.342669
+398 2 0.207961 0.452269 0.354919
+399 2 0.219658 0.492267 0.355478
+409 1 0.0770037 0.400143 0.493056
+410 2 0.104273 0.395735 0.47929
+411 2 0.0561526 0.378666 0.491711
+413 2 0.0494514 0.490911 0.507939
+415 1 0.269558 0.329202 0.526816
+416 2 0.293749 0.310374 0.530321
+417 2 0.241881 0.319594 0.515625
+418 1 0.180665 0.400492 0.536283
+419 2 0.181694 0.405958 0.514396
+420 2 0.147985 0.399544 0.543178
+421 1 0.141338 0.423025 0.420022
+422 2 0.117274 0.404225 0.416519
+423 2 0.122086 0.441946 0.430757
+424 1 0.0523496 0.293743 0.471972
+425 2 0.0438792 0.282241 0.491058
+426 2 0.0329852 0.316318 0.472022
+430 1 0.142942 0.344044 0.469121
+431 2 0.120636 0.322758 0.46952
+432 2 0.165358 0.340201 0.451851
+433 1 0.19821 0.445149 0.656808
+434 2 0.208976 0.453542 0.635892
+435 2 0.216231 0.422263 0.661842
+442 1 0.130134 0.371772 0.648641
+443 2 0.105304 0.388031 0.642466
+444 2 0.14095 0.35587 0.633274
+448 1 0.202115 0.299745 0.624903
+449 2 0.203668 0.287216 0.645398
+450 2 0.196327 0.281008 0.608665
+457 1 0.0976391 0.451772 0.653245
+459 2 0.133365 0.449744 0.652414
+557 2 0.0533626 0.494486 0.45259
+583 1 0.176945 0.488965 0.502343
+584 2 0.202236 0.470136 0.498993
+598 1 0.0878458 0.470069 0.480759
+599 2 0.119305 0.480784 0.487865
+600 2 0.0894013 0.444445 0.485203
+949 1 0.11368 0.0565145 0.613363
+950 2 0.114404 0.0670388 0.634329
+951 2 0.146545 0.0601618 0.605571
+1057 1 0.310461 0.179461 0.343142
+1058 2 0.306457 0.153515 0.337489
+1059 2 0.299291 0.180635 0.365224
+1060 1 0.187021 0.0338935 0.340239
+1061 2 0.156461 0.0467268 0.337423
+1063 1 0.440836 0.0404146 0.406821
+1064 2 0.456824 0.0625231 0.400577
+1065 2 0.438852 0.0407547 0.429556
+1066 1 0.494772 0.096978 0.386813
+1067 2 0.47537 0.113984 0.376938
+1069 1 0.466791 0.156869 0.345696
+1070 2 0.471804 0.183197 0.34713
+1078 1 0.390669 0.12644 0.362852
+1079 2 0.420109 0.140324 0.359232
+1080 2 0.382956 0.123827 0.340399
+1081 1 0.343697 0.0902377 0.40103
+1082 2 0.354329 0.0649818 0.397691
+1083 2 0.363554 0.103695 0.385974
+1084 1 0.267736 0.125692 0.484602
+1085 2 0.247492 0.138423 0.469575
+1086 2 0.299457 0.124935 0.474665
+1090 1 0.338049 0.0480013 0.483865
+1091 2 0.311701 0.0334335 0.476275
+1092 2 0.345591 0.0663612 0.468705
+1093 1 0.375201 0.0531337 0.538826
+1094 2 0.346344 0.0610144 0.551308
+1095 2 0.363753 0.0512994 0.517641
+1098 2 0.178409 0.00478242 0.515857
+1102 1 0.0787222 0.058912 0.45538
+1103 2 0.0769898 0.0582688 0.477759
+1104 2 0.0790783 0.0849658 0.449771
+1105 1 0.170349 0.202961 0.538143
+1106 2 0.187917 0.179559 0.539388
+1107 2 0.136809 0.195786 0.544527
+1108 1 0.19383 0.0887001 0.596186
+1109 2 0.199781 0.10361 0.578398
+1110 2 0.213454 0.099505 0.611155
+1111 1 0.310021 0.0222704 0.649666
+1112 2 0.338272 0.0322217 0.65923
+1113 2 0.288406 0.0429457 0.651487
+1114 1 0.373408 0.10473 0.605674
+1115 2 0.367333 0.10136 0.628537
+1116 2 0.345242 0.0945135 0.595536
+1120 1 0.274685 0.00804828 0.590435
+1121 2 0.291098 0.0120371 0.61077
+1123 1 0.223292 0.0011029 0.53524
+1125 2 0.251534 0.0141854 0.54404
+1126 1 0.29961 0.0721282 0.571318
+1127 2 0.280162 0.0750178 0.552282
+1128 2 0.28526 0.050165 0.579816
+1129 1 0.281762 0.0930413 0.653572
+1130 2 0.312739 0.103883 0.65899
+1131 2 0.260817 0.11467 0.651105
+1141 1 0.319784 0.179321 0.661881
+1142 2 0.331539 0.197351 0.646492
+1143 2 0.291837 0.167991 0.653
+1225 1 0.296232 0.422436 0.383663
+1226 2 0.309417 0.429957 0.363026
+1227 2 0.323007 0.411439 0.394392
+1228 1 0.139419 0.250282 0.368356
+1229 2 0.117446 0.2701 0.371308
+1230 2 0.156171 0.250613 0.387778
+1231 1 0.274347 0.182925 0.401951
+1232 2 0.267091 0.157864 0.406948
+1233 2 0.246079 0.19248 0.391549
+1234 1 0.433891 0.343845 0.356793
+1235 2 0.430227 0.31822 0.349006
+1236 2 0.448172 0.35744 0.340454
+1237 1 0.270675 0.299251 0.361666
+1238 2 0.25717 0.322793 0.356324
+1239 2 0.282178 0.28999 0.341565
+1246 1 0.334319 0.359996 0.344007
+1247 2 0.363676 0.353745 0.354552
+1248 2 0.314347 0.366606 0.361532
+1249 1 0.227179 0.254251 0.396813
+1250 2 0.252353 0.248521 0.41154
+1251 2 0.242224 0.270276 0.380938
+1252 1 0.222101 0.289635 0.484567
+1253 2 0.194427 0.273108 0.480559
+1254 2 0.249195 0.272755 0.48551
+1255 1 0.341905 0.161282 0.526453
+1256 2 0.323897 0.143522 0.514814
+1257 2 0.317607 0.178183 0.532612
+1258 1 0.327235 0.186927 0.453296
+1259 2 0.326746 0.213303 0.459741
+1260 2 0.302642 0.184913 0.437761
+1261 1 0.203445 0.249785 0.583554
+1262 2 0.1881 0.239879 0.565553
+1263 2 0.237663 0.247954 0.57942
+1264 1 0.142787 0.208356 0.422966
+1265 2 0.138065 0.186047 0.409939
+1266 2 0.113256 0.222436 0.419979
+1270 1 0.160655 0.240643 0.477149
+1271 2 0.145935 0.232452 0.457382
+1272 2 0.157603 0.220129 0.491028
+1273 1 0.294463 0.245255 0.561442
+1274 2 0.313316 0.265351 0.551599
+1275 2 0.285344 0.233069 0.541879
+1282 1 0.236271 0.150623 0.62827
+1283 2 0.236874 0.160718 0.607309
+1284 2 0.212655 0.165566 0.639594
+1285 1 0.396937 0.310794 0.631183
+1286 2 0.366826 0.303598 0.621337
+1287 2 0.392105 0.33565 0.637206
+1288 1 0.193279 0.192899 0.663328
+1291 1 0.0921783 0.175385 0.561386
+1292 2 0.1006 0.150863 0.55514
+1293 2 0.0581775 0.180908 0.557408
+1294 1 0.0783553 0.256313 0.66656
+1296 2 0.0905718 0.246939 0.64642
+1312 1 0.327509 0.228624 0.612165
+1313 2 0.323075 0.253415 0.61928
+1314 2 0.316485 0.227887 0.590247
+1382 2 0.478344 0.494451 0.355643
+1393 1 0.443817 0.430502 0.360335
+1394 2 0.430771 0.453729 0.368185
+1395 2 0.422757 0.412189 0.370429
+1399 1 0.497988 0.358616 0.452245
+1402 1 0.356694 0.498219 0.424662
+1404 2 0.377732 0.485234 0.41081
+1408 1 0.226875 0.44273 0.4231
+1409 2 0.195464 0.434362 0.416721
+1410 2 0.248685 0.435983 0.406447
+1411 1 0.13802 0.3342 0.361282
+1412 2 0.106296 0.329651 0.369772
+1413 2 0.138275 0.323604 0.34006
+1414 1 0.367367 0.400963 0.416821
+1415 2 0.34649 0.40027 0.435246
+1416 2 0.392227 0.382554 0.418341
+1417 1 0.427384 0.474483 0.486214
+1418 2 0.401318 0.460764 0.495824
+1419 2 0.412462 0.480611 0.466632
+1420 1 0.301629 0.490641 0.519609
+1421 2 0.313208 0.46662 0.521289
+1422 2 0.290211 0.489595 0.498439
+1423 1 0.263827 0.395243 0.561042
+1424 2 0.275618 0.379962 0.543191
+1425 2 0.230639 0.397981 0.554185
+1426 1 0.449839 0.384124 0.504201
+1427 2 0.468947 0.404527 0.512212
+1428 2 0.463469 0.374354 0.484903
+1429 1 0.362103 0.437807 0.522094
+1430 2 0.362999 0.412032 0.512798
+1431 2 0.386594 0.435193 0.5392
+1432 1 0.244266 0.352868 0.45848
+1433 2 0.240733 0.347724 0.436299
+1434 2 0.238622 0.329881 0.469451
+1435 1 0.197167 0.332043 0.408556
+1436 2 0.176217 0.339119 0.391958
+1437 2 0.199302 0.306383 0.409403
+1438 1 0.323942 0.379636 0.472094
+1439 2 0.293017 0.368181 0.467817
+1440 2 0.344072 0.359767 0.479813
+1441 1 0.248987 0.361153 0.608568
+1442 2 0.254666 0.374688 0.589386
+1443 2 0.234808 0.337454 0.604892
+1450 1 0.401896 0.380257 0.650878
+1451 2 0.432819 0.380072 0.660081
+1452 2 0.386789 0.395505 0.66644
+1456 1 0.336795 0.340181 0.586108
+1457 2 0.334817 0.329117 0.564692
+1458 2 0.308643 0.333729 0.597622
+1459 1 0.299337 0.29909 0.633735
+1460 2 0.266662 0.308255 0.63297
+1461 2 0.308495 0.302401 0.6556
+1480 1 0.250856 0.382563 0.66604
+1482 2 0.248472 0.375404 0.643998
+1578 2 0.324987 0.474502 0.334675
+1600 1 0.321636 0.426034 0.608321
+1601 2 0.347085 0.410659 0.617462
+1602 2 0.300674 0.411559 0.595166
+1603 1 0.280022 0.491038 0.458583
+1604 2 0.260683 0.47349 0.445807
+1605 2 0.311335 0.492815 0.447758
+1624 1 0.246326 0.470009 0.60523
+1625 2 0.277383 0.457023 0.604643
+1626 2 0.252614 0.495801 0.598541
+1627 1 0.147995 0.488825 0.59306
+1628 2 0.115402 0.478916 0.588594
+1629 2 0.169978 0.469448 0.588596
+1900 1 0.240588 0.0277976 0.459466
+1901 2 0.241466 0.00953236 0.443887
+1902 2 0.208398 0.024833 0.468153
+1909 1 0.446571 0.00647112 0.482927
+1910 2 0.471334 0.0144261 0.496805
+1911 2 0.41845 0.0193349 0.490124
+1918 1 0.356796 0.0346488 0.356771
+1919 2 0.337534 0.0531833 0.348838
+1920 2 0.389396 0.038593 0.348441
+1926 2 0.0820113 0.0053413 0.455654
+2065 1 0.354258 0.243706 0.356128
+2066 2 0.323557 0.254547 0.352388
+2067 2 0.351825 0.218196 0.35323
+2068 1 0.354237 0.112954 0.45637
+2069 2 0.356263 0.106436 0.434876
+2070 2 0.356757 0.139318 0.456416
+2089 1 0.488244 0.160425 0.434045
+2090 2 0.467133 0.14029 0.429146
+2091 2 0.46566 0.180998 0.437194
+2094 2 0.485153 0.113532 0.539253
+2113 1 0.435166 0.0174162 0.626125
+2114 2 0.420711 0.014356 0.606009
+2119 1 0.402911 0.000111911 0.572787
+2120 2 0.399254 0.0213049 0.559157
+2214 2 0.396976 0.271162 0.345095
+2236 1 0.320453 0.271113 0.411574
+2237 2 0.337381 0.255838 0.396346
+2238 2 0.306344 0.288455 0.396951
+2242 1 0.48677 0.253507 0.448782
+2244 2 0.461556 0.234337 0.44869
+2254 1 0.421314 0.20246 0.447097
+2255 2 0.411417 0.213221 0.46696
+2256 2 0.390328 0.193836 0.441191
+2257 1 0.384769 0.222524 0.504383
+2258 2 0.416804 0.226517 0.513399
+2259 2 0.372512 0.198967 0.512094
+2260 1 0.274058 0.20849 0.509218
+2261 2 0.288943 0.211469 0.488836
+2262 2 0.239811 0.205443 0.504891
+2264 2 0.482752 0.0366386 0.604406
+2265 2 0.486602 0.071943 0.584723
+2272 1 0.387381 0.170394 0.580919
+2273 2 0.383792 0.147372 0.593513
+2274 2 0.369218 0.165062 0.561494
+2275 1 0.465214 0.0999059 0.471127
+2276 2 0.486475 0.1085 0.487204
+2277 2 0.43636 0.112954 0.474816
+2278 1 0.30295 0.256973 0.466301
+2279 2 0.332145 0.266414 0.476063
+2280 2 0.305854 0.267185 0.445288
+2281 1 0.428322 0.276052 0.562386
+2282 2 0.422264 0.279321 0.58498
+2283 2 0.457904 0.289148 0.556698
+2290 1 0.490664 0.340126 0.546361
+2291 2 0.478155 0.344925 0.56696
+2292 2 0.467251 0.349739 0.531741
+2295 2 0.492563 0.416986 0.632072
+2299 1 0.444238 0.0977934 0.563709
+2300 2 0.423434 0.103794 0.581102
+2301 2 0.421809 0.0855577 0.550194
+2302 1 0.418628 0.203638 0.631698
+2303 2 0.390864 0.211437 0.620372
+2304 2 0.44195 0.192399 0.617661
+2405 2 0.49254 0.421289 0.396196
+2422 1 0.419275 0.341658 0.421902
+2423 2 0.428874 0.342175 0.399571
+2424 2 0.448502 0.33989 0.435085
+2440 1 0.448382 0.288935 0.49619
+2441 2 0.464735 0.282746 0.477015
+2442 2 0.466853 0.274825 0.510929
+2443 1 0.370555 0.311143 0.471861
+2444 2 0.401186 0.303453 0.48174
+2445 2 0.379586 0.32114 0.451963
+2446 1 0.350139 0.298311 0.536748
+2447 2 0.381439 0.28858 0.543404
+2448 2 0.355857 0.306195 0.516018
+2449 1 0.419331 0.432767 0.568164
+2450 2 0.425659 0.447369 0.586028
+2451 2 0.424806 0.406663 0.573752
+2452 1 0.443711 0.485569 0.6082
+2453 2 0.463561 0.476396 0.624595
+2454 2 0.415679 0.492927 0.620203
+2458 1 0.493696 0.441804 0.529343
+2459 2 0.494921 0.464991 0.518775
+2460 2 0.467249 0.44161 0.544282
+2461 1 0.482818 0.456211 0.658311
+2464 1 0.419549 0.367363 0.580642
+2465 2 0.385194 0.363728 0.580534
+2466 2 0.428003 0.361027 0.6013
+2590 1 0.427948 0.499409 0.373526
+2635 1 0.337693 0.463432 0.661387
+2636 2 0.324402 0.448943 0.644983
+2933 2 0.480315 0.0133254 0.348599
+3100 1 0.461465 0.193346 0.532687
+3101 2 0.440245 0.182368 0.548006
+3102 2 0.476104 0.21134 0.546332
+3165 2 0.478569 0.104152 0.666547
+3259 1 0.486143 0.228139 0.348563
+3261 2 0.463707 0.249004 0.352411
+3473 2 0.497516 0.346774 0.661867
+4085 2 0.0204471 0.0507487 0.453392
+4120 1 0.0448844 0.0638239 0.361176
+4121 2 0.0748096 0.0695945 0.373277
+4122 2 0.0206178 0.0738794 0.375382
+4138 1 0.105171 0.105993 0.555168
+4139 2 0.0908735 0.0977303 0.574473
+4140 2 0.0967499 0.0864823 0.541111
+4266 2 0.00233769 0.177979 0.333707
+4423 1 0.056258 0.299391 0.370815
+4424 2 0.0334545 0.28765 0.355954
+4425 2 0.0456976 0.324705 0.371862
+4426 1 0.02694 0.368958 0.360042
+4427 2 0.00611831 0.357092 0.344596
+4428 2 0.0321859 0.393516 0.35329
+4429 1 0.0493556 0.400967 0.416318
+4430 2 0.0308675 0.383205 0.405201
+4431 2 0.0490047 0.423128 0.403892
+4444 1 0.0501634 0.45606 0.376658
+4445 2 0.057435 0.482152 0.379528
+4446 2 0.0659734 0.451191 0.356413
+4447 1 0.0714725 0.466386 0.572458
+4448 2 0.0760672 0.441163 0.564216
+4449 2 0.0575864 0.481945 0.555796
+4450 1 0.0923304 0.398083 0.551828
+4451 2 0.0857589 0.401769 0.529336
+4452 2 0.0700161 0.379044 0.558328
+4465 1 0.0120669 0.461257 0.620884
+4466 2 0.0336833 0.454626 0.638443
+4467 2 0.0300674 0.456629 0.601358
+4471 1 0.0239419 0.344434 0.568193
+4472 2 0.0123363 0.353853 0.588676
+4473 2 0.0439257 0.32412 0.574923
+4626 2 0.0282944 0.430954 0.4661
+97 1 0.132816 0.0960951 0.667957
+99 2 0.153291 0.108413 0.68299
+109 1 0.150834 0.035558 0.699305
+110 2 0.159917 0.0509606 0.717422
+111 2 0.14403 0.0528373 0.681741
+124 1 0.00737967 0.105017 0.792274
+125 2 0.026923 0.115673 0.775783
+127 1 0.291854 0.0233063 0.871003
+128 2 0.274689 0.0130345 0.887805
+129 2 0.307767 0.0449911 0.878292
+130 1 0.158951 0.0543004 0.824462
+131 2 0.130462 0.0538915 0.812105
+132 2 0.180756 0.0386307 0.813834
+136 1 0.261126 0.029989 0.706338
+137 2 0.236104 0.0119798 0.709652
+138 2 0.253648 0.0449038 0.687977
+145 1 0.127623 0.0670449 0.881169
+146 2 0.133452 0.0698659 0.858738
+147 2 0.154241 0.0518306 0.888068
+148 1 0.0589066 0.18382 0.99814
+150 2 0.0349105 0.171594 0.986413
+160 1 0.0510031 0.0398628 0.920771
+161 2 0.0278787 0.0278962 0.906144
+162 2 0.0738535 0.0519928 0.906838
+169 1 0.14634 0.175937 0.98438
+171 2 0.115238 0.184487 0.992472
+184 1 0.161145 0.28033 0.986403
+186 2 0.173187 0.255721 0.983848
+187 1 0.136066 0.207028 0.868786
+188 2 0.138896 0.200702 0.890484
+189 2 0.119967 0.230252 0.870436
+265 1 0.0354195 0.234789 0.717534
+266 2 0.00852981 0.217693 0.715358
+267 2 0.0366939 0.24884 0.69737
+289 1 0.140915 0.186385 0.803419
+290 2 0.141759 0.189071 0.826795
+291 2 0.116348 0.204518 0.796257
+292 1 0.087895 0.325492 0.895443
+293 2 0.113659 0.313679 0.906621
+294 2 0.0844727 0.350903 0.901892
+295 1 0.207123 0.276643 0.824713
+296 2 0.197454 0.295562 0.839793
+297 2 0.240988 0.270185 0.828647
+298 1 0.299037 0.200933 0.783565
+299 2 0.303235 0.224798 0.774443
+300 2 0.293381 0.187059 0.763846
+301 1 0.0868275 0.271362 0.796248
+302 2 0.0844975 0.26447 0.818248
+303 2 0.0648664 0.251993 0.787286
+304 1 0.191458 0.191847 0.754386
+305 2 0.170282 0.189946 0.77248
+306 2 0.200656 0.217707 0.756188
+313 1 0.164145 0.305126 0.931061
+314 2 0.155231 0.294478 0.951069
+315 2 0.197563 0.296592 0.928332
+319 1 0.270179 0.280923 0.930076
+320 2 0.289421 0.273601 0.911439
+321 2 0.28574 0.303643 0.935646
+322 1 0.40516 0.307041 0.906792
+323 2 0.378911 0.294395 0.89658
+324 2 0.434904 0.300762 0.894205
+325 1 0.132779 0.348057 0.997856
+326 2 0.145787 0.364943 0.982799
+327 2 0.143234 0.324035 0.991331
+328 1 0.0638828 0.0974984 0.964127
+329 2 0.048173 0.12016 0.959014
+330 2 0.0572962 0.0806142 0.94764
+331 1 0.0539881 0.14946 0.829056
+332 2 0.060883 0.169913 0.815692
+333 2 0.0414818 0.131568 0.815228
+438 2 0.0146541 0.403976 0.678458
+439 1 0.0663162 0.491 0.703905
+454 1 0.0521597 0.419296 0.702071
+455 2 0.0475719 0.447343 0.700294
+456 2 0.0878266 0.414808 0.704985
+458 2 0.0929143 0.466653 0.672037
+463 1 0.13901 0.406852 0.813033
+464 2 0.125355 0.383562 0.820928
+465 2 0.115098 0.414694 0.79663
+466 1 0.218678 0.390294 0.784422
+467 2 0.189241 0.402887 0.790212
+468 2 0.236178 0.4106 0.774267
+472 1 0.13892 0.299967 0.71818
+473 2 0.138459 0.305148 0.739946
+474 2 0.140184 0.323815 0.707484
+475 1 0.0469012 0.325384 0.669659
+476 2 0.0570575 0.300044 0.667491
+477 2 0.0449342 0.330889 0.691542
+478 1 0.0992414 0.398251 0.925717
+479 2 0.105507 0.417422 0.940403
+480 2 0.064711 0.392403 0.928639
+481 1 0.0235594 0.430344 0.867163
+482 2 0.0140038 0.44733 0.883222
+483 2 0.0391738 0.410802 0.877463
+484 1 0.0117667 0.451575 0.925909
+490 1 0.0102212 0.377312 0.923334
+491 2 0.00177815 0.362928 0.905662
+493 1 0.184521 0.398111 0.904738
+494 2 0.212147 0.398392 0.918586
+495 2 0.157209 0.401926 0.916877
+496 1 0.241597 0.384146 0.952747
+497 2 0.238845 0.403244 0.967835
+498 2 0.259612 0.366283 0.964154
+502 1 0.00927805 0.267254 0.937732
+504 2 0.00483117 0.288804 0.925564
+523 1 0.0900284 0.470469 0.901367
+524 2 0.0613292 0.464364 0.914001
+525 2 0.106569 0.447278 0.903298
+616 1 0.250045 0.485966 0.712903
+617 2 0.218535 0.481033 0.703912
+618 2 0.244712 0.499454 0.732718
+645 2 0.0203348 0.406625 0.733927
+664 1 0.122724 0.470165 0.842486
+665 2 0.115763 0.445652 0.835389
+666 2 0.100995 0.472929 0.860267
+973 1 0.389527 0.0988781 0.85292
+974 2 0.376898 0.0959449 0.8731
+975 2 0.362576 0.0978966 0.838934
+988 1 0.00723881 0.00785817 0.972973
+990 2 0.0160793 0.0218485 0.953844
+1009 1 0.358065 0.00258022 0.989824
+1011 2 0.332314 0.0196797 0.990129
+1132 1 0.175058 0.12671 0.713381
+1133 2 0.159574 0.148475 0.721384
+1134 2 0.171916 0.110193 0.731608
+1135 1 0.214638 0.0165986 0.787508
+1136 2 0.212418 0.00651332 0.766212
+1137 2 0.236123 0.00152772 0.801366
+1138 1 0.26253 0.155008 0.734355
+1139 2 0.250795 0.137325 0.719136
+1140 2 0.232426 0.165435 0.743067
+1146 2 0.331436 0.0045558 0.738513
+1147 1 0.075948 0.0267221 0.729871
+1148 2 0.0722236 0.0011865 0.730224
+1149 2 0.103154 0.0300286 0.715573
+1150 1 0.255387 0.0763857 0.92751
+1151 2 0.237675 0.0990033 0.925229
+1152 2 0.235049 0.0592212 0.916921
+1153 1 0.17926 0.122035 0.844664
+1154 2 0.173028 0.0988385 0.834974
+1155 2 0.202049 0.133626 0.830033
+1156 1 0.228757 0.230116 0.96463
+1157 2 0.20535 0.219261 0.950313
+1158 2 0.251691 0.24237 0.951311
+1165 1 0.419027 0.274411 0.964276
+1166 2 0.408498 0.287494 0.946309
+1167 2 0.388916 0.27098 0.975686
+1172 2 0.0818914 4.78998e-05 0.906981
+1174 1 0.380224 0.0929687 0.942186
+1175 2 0.349699 0.104769 0.936752
+1176 2 0.402917 0.105612 0.927819
+1192 1 0.343734 0.186346 0.942211
+1193 2 0.317321 0.181755 0.956561
+1194 2 0.372452 0.173729 0.949818
+1276 1 0.211217 0.263992 0.674493
+1277 2 0.188838 0.27416 0.689923
+1278 2 0.244129 0.265072 0.682242
+1279 1 0.30345 0.259544 0.695398
+1280 2 0.333494 0.270624 0.689369
+1281 2 0.313927 0.236379 0.70489
+1289 2 0.207762 0.216323 0.667881
+1290 2 0.188596 0.181315 0.683673
+1295 2 0.105784 0.255232 0.680267
+1297 1 0.21785 0.260053 0.763611
+1298 2 0.216552 0.28654 0.758464
+1299 2 0.208986 0.261633 0.785753
+1300 1 0.231084 0.327049 0.742554
+1301 2 0.220714 0.340091 0.761323
+1302 2 0.205932 0.332916 0.726651
+1303 1 0.308971 0.270827 0.760713
+1304 2 0.31223 0.274281 0.738047
+1305 2 0.275049 0.267171 0.763075
+1306 1 0.314826 0.345655 0.707977
+1307 2 0.324203 0.370761 0.711637
+1308 2 0.286033 0.340906 0.720805
+1309 1 0.365382 0.382843 0.786213
+1310 2 0.361706 0.399401 0.804196
+1311 2 0.331776 0.374892 0.78394
+1315 1 0.178311 0.0818557 0.761054
+1316 2 0.151001 0.073625 0.771468
+1317 2 0.204279 0.0653592 0.766881
+1318 1 0.0948115 0.174067 0.707647
+1319 2 0.0892788 0.170467 0.685568
+1320 2 0.0792611 0.197748 0.711435
+1321 1 0.393071 0.212621 0.803789
+1322 2 0.408922 0.196819 0.78829
+1323 2 0.359141 0.208395 0.801023
+1324 1 0.198696 0.319868 0.870515
+1325 2 0.187352 0.32217 0.891455
+1326 2 0.206795 0.344462 0.863468
+1330 1 0.33077 0.203823 0.723799
+1331 2 0.364288 0.196256 0.722092
+1332 2 0.319231 0.189636 0.705781
+1333 1 0.474452 0.362974 0.95764
+1335 2 0.48324 0.384303 0.970772
+1336 1 0.240813 0.15366 0.803774
+1337 2 0.262597 0.174075 0.799242
+1338 2 0.210271 0.165511 0.80132
+1339 1 0.155784 0.183897 0.92409
+1340 2 0.169963 0.160829 0.915885
+1341 2 0.141894 0.182237 0.945118
+1342 1 0.231523 0.2 0.874586
+1343 2 0.239518 0.224987 0.880623
+1344 2 0.197793 0.202059 0.869318
+1345 1 0.338091 0.449889 0.995967
+1347 2 0.328772 0.437744 0.976221
+1361 2 0.44647 0.296656 0.988209
+1362 2 0.46401 0.335644 0.986254
+1363 1 0.325866 0.333922 0.954671
+1364 2 0.356633 0.325889 0.946126
+1365 2 0.321834 0.320919 0.974771
+1366 1 0.219268 0.432102 0.999812
+1447 1 0.279891 0.356441 0.812369
+1448 2 0.255031 0.363779 0.797238
+1449 2 0.265638 0.364041 0.831832
+1453 1 0.445932 0.497232 0.701997
+1454 2 0.434596 0.496186 0.72318
+1462 1 0.171201 0.367138 0.701155
+1463 2 0.152609 0.367016 0.681398
+1464 2 0.203624 0.374824 0.69597
+1465 1 0.314883 0.460442 0.878147
+1466 2 0.345123 0.472935 0.882962
+1467 2 0.326727 0.445366 0.861425
+1468 1 0.0676348 0.440099 0.77665
+1469 2 0.0343732 0.43378 0.771758
+1470 2 0.0702986 0.467013 0.773685
+1471 1 0.218344 0.382233 0.85199
+1472 2 0.203238 0.396065 0.835169
+1473 2 0.204835 0.394017 0.870584
+1474 1 0.469814 0.440394 0.845129
+1475 2 0.499299 0.436385 0.832939
+1476 2 0.470795 0.46353 0.857167
+1477 1 0.371613 0.434368 0.828282
+1478 2 0.405319 0.439679 0.831899
+1479 2 0.357116 0.454354 0.818635
+1481 2 0.284137 0.379269 0.671297
+1483 1 0.15868 0.324836 0.786502
+1484 2 0.17148 0.305909 0.800412
+1485 2 0.132414 0.338422 0.796098
+1486 1 0.228648 0.461208 0.821007
+1487 2 0.234427 0.47831 0.837787
+1488 2 0.19481 0.45862 0.823493
+1489 1 0.311864 0.434135 0.935931
+1490 2 0.291438 0.412968 0.935981
+1491 2 0.307765 0.44478 0.915109
+1498 1 0.421341 0.269579 0.837935
+1499 2 0.41151 0.245806 0.830064
+1500 2 0.396862 0.280688 0.850473
+1503 2 0.486723 0.482563 0.947966
+1504 1 0.449356 0.363625 0.845926
+1505 2 0.431167 0.359415 0.864701
+1506 2 0.460253 0.388225 0.849728
+1507 1 0.304468 0.289088 0.82784
+1508 2 0.321906 0.282046 0.809007
+1509 2 0.293943 0.314866 0.825767
+1531 1 0.148958 0.441934 0.960038
+1532 2 0.177457 0.436039 0.972254
+1533 2 0.127333 0.455188 0.973095
+1648 1 0.394292 0.493275 0.770016
+1649 2 0.404932 0.469722 0.761112
+1650 2 0.362354 0.485852 0.776982
+1651 1 0.282464 0.438269 0.749527
+1652 2 0.292377 0.454356 0.765384
+1653 2 0.268264 0.452592 0.732516
+1654 1 0.312003 0.483251 0.798013
+1656 2 0.281744 0.470284 0.805148
+1676 2 0.26285 0.494522 0.875365
+1972 1 0.340801 0.0546789 0.735356
+1973 2 0.309645 0.0512596 0.72533
+1974 2 0.347121 0.0813814 0.736711
+1979 2 0.317013 0.00858938 0.827081
+1981 1 0.193867 0.0156803 0.894646
+1982 2 0.182395 0.00323252 0.913665
+1983 2 0.171542 0.00648877 0.879072
+2018 2 0.485898 0.18561 0.891779
+2020 1 0.41119 0.0793653 0.998532
+2021 2 0.405478 0.0818031 0.976011
+2028 2 0.489833 0.179186 0.997387
+2039 2 0.450216 0.00205679 0.949501
+2116 1 0.374246 0.0992066 0.667483
+2117 2 0.373842 0.125848 0.671513
+2118 2 0.407829 0.0912791 0.672112
+2139 2 0.47639 0.169622 0.696557
+2140 1 0.41948 0.177785 0.752729
+2141 2 0.431787 0.183423 0.731826
+2142 2 0.442988 0.158705 0.759391
+2143 1 0.320902 0.0931941 0.891722
+2144 2 0.295962 0.0905123 0.906446
+2145 2 0.312105 0.114865 0.880505
+2158 1 0.415937 0.0321474 0.703157
+2159 2 0.394316 0.0425074 0.719404
+2160 2 0.432734 0.0528405 0.694639
+2161 1 0.417304 0.0297957 0.920781
+2162 2 0.427178 0.0377064 0.900504
+2163 2 0.401002 0.0512519 0.927874
+2164 1 0.209417 0.132412 0.903896
+2165 2 0.231153 0.151155 0.896479
+2166 2 0.195406 0.121666 0.884455
+2173 1 0.425275 0.136967 0.906813
+2174 2 0.423582 0.146797 0.885473
+2175 2 0.453444 0.150699 0.915478
+2176 1 0.313 0.105996 0.815765
+2177 2 0.287163 0.118233 0.804727
+2178 2 0.324659 0.0878023 0.800923
+2203 1 0.46669 0.197483 0.964416
+2204 2 0.479131 0.193638 0.943681
+2205 2 0.448719 0.219993 0.96406
+2284 1 0.403864 0.340534 0.721687
+2285 2 0.369362 0.335967 0.717198
+2286 2 0.409203 0.328479 0.740741
+2305 1 0.471878 0.266379 0.717128
+2306 2 0.496732 0.24993 0.723452
+2307 2 0.448877 0.267304 0.734098
+2308 1 0.412709 0.264853 0.760737
+2309 2 0.379194 0.268483 0.758886
+2310 2 0.419527 0.246242 0.777449
+2311 1 0.298408 0.153608 0.860956
+2312 2 0.268752 0.167566 0.858023
+2313 2 0.302953 0.138224 0.842661
+2317 1 0.498414 0.280555 0.792769
+2319 2 0.467389 0.290229 0.790034
+2320 1 0.482144 0.130565 0.765511
+2321 2 0.475923 0.121616 0.786896
+2323 1 0.385837 0.27862 0.687983
+2324 2 0.397733 0.289106 0.668375
+2325 2 0.413162 0.278166 0.701978
+2326 1 0.423178 0.197818 0.692094
+2327 2 0.421765 0.195089 0.6693
+2328 2 0.418792 0.224226 0.6895
+2329 1 0.362187 0.198043 0.881573
+2330 2 0.358913 0.194617 0.903928
+2331 2 0.336734 0.183513 0.872229
+2335 1 0.453655 0.184121 0.861929
+2336 2 0.467368 0.188583 0.841327
+2337 2 0.420897 0.19264 0.86044
+2344 1 0.482432 0.291488 0.876429
+2345 2 0.4649 0.278816 0.85955
+2347 1 0.35575 0.123659 0.738363
+2348 2 0.380033 0.140309 0.744371
+2349 2 0.325224 0.136784 0.738011
+2350 1 0.39447 0.392739 0.966216
+2351 2 0.427577 0.384957 0.962161
+2352 2 0.37381 0.372061 0.960774
+2462 2 0.470801 0.46978 0.676146
+2470 1 0.336502 0.411255 0.712288
+2471 2 0.366177 0.411946 0.724371
+2472 2 0.314562 0.42447 0.726451
+2490 2 0.494693 0.341192 0.757187
+2491 1 0.413026 0.430118 0.753185
+2492 2 0.445167 0.425552 0.759838
+2493 2 0.394632 0.413344 0.765073
+2494 1 0.451776 0.356539 0.782664
+2495 2 0.41812 0.361849 0.7792
+2496 2 0.454524 0.354617 0.805152
+2500 1 0.491502 0.412459 0.994171
+2502 2 0.486144 0.439156 0.993481
+2515 1 0.321588 0.267485 0.882147
+2516 2 0.312967 0.27866 0.861859
+2517 2 0.335975 0.243182 0.881241
+2539 1 0.440111 0.451419 0.938617
+2540 2 0.417111 0.466055 0.927806
+2541 2 0.421748 0.437028 0.952716
+2637 2 0.328326 0.450849 0.680103
+2982 2 0.46475 0.0119404 0.716932
+2989 1 0.467032 0.119302 0.824066
+2990 2 0.435709 0.111379 0.833286
+2991 2 0.492589 0.112443 0.838282
+3001 1 0.450626 0.04427 0.864864
+3002 2 0.428176 0.0647496 0.858872
+3003 2 0.482634 0.0460847 0.855519
+3163 1 0.460903 0.0839755 0.67571
+3164 2 0.480897 0.06166 0.670273
+3667 1 0.472346 0.366081 0.690501
+3668 2 0.445476 0.354596 0.703014
+3669 2 0.497638 0.368653 0.706106
+4135 1 0.0879736 0.0582153 0.783657
+4136 2 0.0601455 0.0506225 0.795648
+4137 2 0.0876445 0.0417037 0.765231
+4143 2 0.000802599 0.0898261 0.684357
+4159 1 0.0147703 0.0396265 0.819651
+4160 2 0.00134429 0.062781 0.816027
+4161 2 0.00094006 0.0278506 0.837531
+4201 1 0.0300319 0.200753 0.878961
+4202 2 0.0288041 0.197263 0.901008
+4203 2 0.0382624 0.177011 0.870848
+4207 1 0.0617742 0.257276 0.992246
+4208 2 0.0410234 0.262024 0.974074
+4209 2 0.0667288 0.231133 0.990934
+4327 1 0.0299256 0.214178 0.774438
+4328 2 0.013028 0.191912 0.772223
+4329 2 0.0352364 0.221733 0.753487
+4330 1 0.0441157 0.138851 0.744881
+4331 2 0.027383 0.124472 0.729341
+4332 2 0.0694057 0.151935 0.73336
+4333 1 0.0243007 0.317761 0.736244
+4334 2 0.0436649 0.295336 0.734568
+4335 2 0.02531 0.323052 0.75832
+4344 2 0.0141907 0.0268384 0.747291
+4351 1 0.0751026 0.268363 0.856463
+4352 2 0.0661148 0.288496 0.870176
+4353 2 0.0553462 0.247346 0.862705
+4354 1 0.080546 0.343241 0.824643
+4355 2 0.0729383 0.318954 0.816354
+4356 2 0.0864799 0.33819 0.846395
+4357 1 0.0641413 0.128769 0.885772
+4358 2 0.0933237 0.114291 0.889719
+4359 2 0.0672855 0.135676 0.863995
+4499 2 0.0162854 0.352293 0.805167
+46 1 0.132078 0.971295 0.182879
+47 2 0.15164 0.989664 0.193213
+48 2 0.136684 0.948059 0.193743
+65 2 0.0394581 0.982169 0.218803
+66 2 0.0792224 0.990711 0.195202
+67 1 0.0992294 0.988311 0.28357
+68 2 0.0648102 0.989376 0.279248
+69 2 0.103457 0.964716 0.292004
+135 2 0.22815 0.969954 0.00384684
+349 1 0.215961 0.533283 0.124004
+350 2 0.230636 0.516322 0.137768
+351 2 0.234381 0.555373 0.123656
+366 2 0.0225569 0.505196 0.202989
+375 2 0.130765 0.503434 0.299916
+395 2 0.151365 0.502474 0.209371
+508 1 0.0978054 0.608235 0.0869678
+509 2 0.067817 0.622491 0.0852379
+510 2 0.111061 0.612801 0.107136
+517 1 0.283349 0.591921 0.138654
+518 2 0.275619 0.612505 0.150702
+519 2 0.285181 0.571817 0.153042
+528 2 0.164824 0.510903 0.124196
+529 1 0.0701047 0.572773 0.165295
+530 2 0.0482228 0.590252 0.175561
+531 2 0.08906 0.587394 0.151298
+532 1 0.213407 0.719795 0.231876
+533 2 0.200385 0.743341 0.240066
+534 2 0.184728 0.704481 0.227881
+535 1 0.264196 0.596572 0.254607
+536 2 0.252635 0.62067 0.246992
+537 2 0.299203 0.5986 0.257688
+538 1 0.117389 0.628066 0.205378
+539 2 0.0830143 0.628783 0.205738
+540 2 0.125938 0.624919 0.182931
+541 1 0.257086 0.663823 0.246423
+542 2 0.290956 0.667768 0.249857
+543 2 0.245717 0.688288 0.239718
+544 1 0.136232 0.546611 0.207241
+545 2 0.139242 0.5728 0.211654
+546 2 0.112991 0.546952 0.189632
+547 1 0.134704 0.621275 0.145842
+548 2 0.163786 0.612305 0.137051
+549 2 0.142099 0.647928 0.146262
+550 1 0.0823664 0.55475 0.260554
+551 2 0.062805 0.535566 0.251973
+552 2 0.112692 0.554091 0.248936
+553 1 0.119218 0.694817 0.291653
+554 2 0.101853 0.675379 0.302359
+555 2 0.115159 0.691629 0.268691
+565 1 0.216161 0.690476 0.306602
+566 2 0.18235 0.695286 0.308009
+567 2 0.218914 0.670302 0.292286
+568 1 0.0237672 0.626484 0.194104
+569 2 0.00938551 0.641538 0.178177
+575 2 0.0735648 0.610104 0.332652
+594 2 0.0189839 0.525214 0.330574
+673 1 0.0756397 0.851146 0.0557866
+674 2 0.0602295 0.868368 0.0408088
+675 2 0.0494992 0.836689 0.0645118
+676 1 0.0711656 0.791334 0.135425
+677 2 0.0923812 0.810072 0.143341
+678 2 0.0448998 0.792009 0.149519
+679 1 0.166416 0.688002 0.143625
+680 2 0.151801 0.693886 0.122523
+681 2 0.198271 0.698022 0.14053
+682 1 0.145078 0.686503 0.0792951
+683 2 0.133632 0.711846 0.0812092
+684 2 0.127849 0.676049 0.0612578
+685 1 0.236536 0.717194 0.1093
+686 2 0.256455 0.701283 0.0963196
+687 2 0.218061 0.728443 0.0937367
+691 1 0.118368 0.675956 0.023164
+692 2 0.0889629 0.675462 0.0113008
+693 2 0.13968 0.691783 0.0120225
+694 1 0.187948 0.629695 0.00783143
+695 2 0.196918 0.604258 0.00599115
+696 2 0.155108 0.63191 0.0151743
+697 1 0.205231 0.792161 0.157164
+698 2 0.239101 0.783441 0.156547
+699 2 0.202731 0.80841 0.139659
+701 2 0.0048913 0.787874 0.186629
+703 1 0.053479 0.748572 0.283525
+704 2 0.0777781 0.729231 0.283792
+705 2 0.0229646 0.739316 0.277362
+706 1 0.301163 0.73479 0.216657
+707 2 0.267346 0.735896 0.218745
+708 2 0.3097 0.724755 0.236663
+709 1 0.0936102 0.721027 0.170036
+710 2 0.123529 0.71093 0.162339
+711 2 0.103166 0.744445 0.18046
+721 1 0.0992517 0.805693 0.25786
+722 2 0.0857726 0.788066 0.27267
+723 2 0.133783 0.806208 0.260458
+730 1 0.28446 0.730515 0.280979
+731 2 0.315281 0.727571 0.292827
+732 2 0.262638 0.711679 0.289002
+738 2 0.180468 0.601664 0.332445
+739 1 0.0573731 0.799611 0.205921
+740 2 0.0864735 0.797833 0.19311
+741 2 0.0681478 0.799109 0.227291
+762 2 0.0582373 0.769524 0.319802
+820 1 0.194046 0.834649 0.102637
+821 2 0.183526 0.854938 0.0894382
+822 2 0.193163 0.814045 0.0879572
+823 1 0.400107 0.783896 0.0458259
+824 2 0.407877 0.765801 0.0621291
+825 2 0.383718 0.768269 0.0310802
+829 1 0.22405 0.808699 0.0014961
+830 2 0.205142 0.822468 0.0170945
+840 2 0.104499 0.556676 0.0207676
+841 1 0.162838 0.852279 0.0316609
+842 2 0.169913 0.872766 0.0173993
+843 2 0.129793 0.856103 0.0404647
+847 1 0.292665 0.76897 0.1586
+848 2 0.292322 0.752273 0.175982
+849 2 0.307205 0.754178 0.14226
+850 1 0.293312 0.842697 0.173505
+851 2 0.309552 0.854742 0.156734
+852 2 0.287778 0.81932 0.166058
+853 1 0.138411 0.953503 0.123875
+854 2 0.133119 0.964439 0.144704
+855 2 0.163353 0.968555 0.115618
+860 2 0.0894482 0.818086 0.00411012
+862 1 0.197165 0.868036 0.224378
+863 2 0.202222 0.891371 0.213758
+864 2 0.163493 0.866176 0.220918
+865 1 0.0232383 0.699862 0.137753
+866 2 0.0480789 0.708821 0.153043
+867 2 0.00409604 0.722665 0.135078
+868 1 0.129222 0.835666 0.166683
+869 2 0.135924 0.860366 0.159986
+870 2 0.160793 0.823027 0.168225
+871 1 0.120781 0.921403 0.22997
+872 2 0.100422 0.904563 0.240356
+873 2 0.130934 0.940003 0.244203
+874 1 0.0341722 0.889889 0.15144
+875 2 0.0404532 0.898075 0.130587
+876 2 0.0625262 0.894026 0.164196
+877 1 0.176631 0.907169 0.160724
+878 2 0.209882 0.912338 0.164049
+879 2 0.165118 0.922386 0.144661
+880 1 0.143938 0.772744 0.200384
+881 2 0.170682 0.772929 0.185124
+882 2 0.161089 0.783328 0.219446
+886 1 0.180286 0.989384 0.252827
+887 2 0.148612 0.991688 0.263092
+889 1 0.0973379 0.918034 0.298812
+890 2 0.0789613 0.90079 0.285431
+891 2 0.0832127 0.915369 0.319412
+895 1 0.388516 0.864316 0.313104
+896 2 0.419556 0.858848 0.323028
+897 2 0.367995 0.877309 0.328406
+898 1 0.286023 0.980001 0.312982
+907 1 0.0686914 0.871368 0.253101
+908 2 0.0888776 0.849386 0.256454
+909 2 0.0376881 0.866233 0.243828
+911 2 0.180756 0.841827 0.322094
+991 1 0.112471 0.934259 0.035492
+992 2 0.0930643 0.954534 0.0309243
+993 2 0.144289 0.94249 0.0424712
+997 1 0.209034 0.948489 0.0413552
+998 2 0.23212 0.929562 0.0367936
+999 2 0.214767 0.9543 0.0625936
+1030 1 0.344225 0.931633 0.0838934
+1031 2 0.366361 0.948811 0.092575
+1032 2 0.339366 0.934899 0.0617131
+1043 2 0.348425 0.997606 0.190523
+1051 1 0.212108 0.9915 0.105596
+1053 2 0.231703 0.986735 0.123863
+1054 1 0.271183 0.965444 0.251013
+1055 2 0.237484 0.972229 0.250145
+1056 2 0.279107 0.963284 0.273018
+1075 1 0.263228 0.91261 0.178739
+1076 2 0.296193 0.922703 0.180761
+1077 2 0.262767 0.88577 0.177607
+1159 1 0.315875 0.941424 0.026318
+1160 2 0.345437 0.938749 0.0138461
+1161 2 0.2956 0.957544 0.0130217
+1348 1 0.319397 0.546625 0.0380678
+1349 2 0.312434 0.556433 0.0170282
+1350 2 0.34905 0.532904 0.0351862
+1492 1 0.232108 0.500012 0.0010913
+1493 2 0.214144 0.515982 0.0136646
+1513 1 0.408849 0.597901 0.0592755
+1514 2 0.386358 0.612738 0.0467696
+1515 2 0.391766 0.596643 0.0792122
+1516 1 0.255042 0.591388 0.0557622
+1517 2 0.272595 0.60316 0.0393048
+1518 2 0.282051 0.574386 0.0603466
+1519 1 0.318026 0.533666 0.174806
+1520 2 0.337546 0.528581 0.1935
+1521 2 0.342792 0.537 0.158704
+1522 1 0.446582 0.528971 0.0717796
+1523 2 0.431603 0.524191 0.0520621
+1524 2 0.438691 0.55484 0.0756025
+1525 1 0.364485 0.675191 0.103556
+1526 2 0.332349 0.668455 0.094867
+1527 2 0.355002 0.684968 0.123107
+1534 1 0.193899 0.547096 0.0351063
+1535 2 0.164548 0.547612 0.0477737
+1536 2 0.216715 0.561952 0.0470525
+1537 1 0.370463 0.583559 0.11153
+1538 2 0.384451 0.559428 0.11695
+1539 2 0.338144 0.586686 0.119301
+1540 1 0.34653 0.674632 0.248589
+1541 2 0.355557 0.649706 0.255493
+1542 2 0.372571 0.68977 0.256848
+1543 1 0.480094 0.514792 0.281815
+1545 2 0.460471 0.535541 0.273446
+1546 1 0.450342 0.632427 0.221065
+1547 2 0.424852 0.648523 0.213807
+1548 2 0.479003 0.647952 0.216416
+1549 1 0.383529 0.67435 0.192611
+1550 2 0.367556 0.680738 0.212365
+1551 2 0.398223 0.695891 0.183637
+1558 1 0.354859 0.607996 0.266907
+1559 2 0.34951 0.602806 0.288303
+1560 2 0.376514 0.589488 0.259221
+1561 1 0.208586 0.576934 0.303764
+1562 2 0.223536 0.586953 0.285485
+1563 2 0.231139 0.560998 0.313004
+1570 1 0.272862 0.518987 0.31323
+1571 2 0.290201 0.522339 0.292705
+1572 2 0.244793 0.502832 0.310014
+1579 1 0.302693 0.526182 0.254019
+1580 2 0.279916 0.510786 0.243493
+1581 2 0.288756 0.549889 0.249271
+1663 1 0.371016 0.651818 0.0318192
+1664 2 0.391771 0.669939 0.0413499
+1665 2 0.339879 0.661774 0.0330173
+1681 1 0.280815 0.665732 0.0812417
+1682 2 0.251044 0.653484 0.0885381
+1683 2 0.274096 0.663417 0.0587315
+1684 1 0.205338 0.629297 0.098614
+1685 2 0.175676 0.63519 0.0876408
+1686 2 0.222332 0.611748 0.0855757
+1687 1 0.45173 0.741731 0.133067
+1688 2 0.450285 0.767707 0.129572
+1689 2 0.478995 0.736775 0.146137
+1690 1 0.43102 0.727314 0.0783157
+1691 2 0.445709 0.733757 0.0986918
+1692 2 0.404441 0.711447 0.0833252
+1693 1 0.394643 0.846859 0.0719844
+1694 2 0.396009 0.821703 0.0672251
+1695 2 0.385552 0.848047 0.09346
+1696 1 0.268375 0.667985 0.0206309
+1698 2 0.235374 0.656147 0.0199365
+1702 1 0.171154 0.740791 0.00253842
+1703 2 0.198424 0.757623 0.00591992
+1705 1 0.413292 0.868471 0.234392
+1706 2 0.380774 0.858405 0.238257
+1707 2 0.418608 0.884762 0.25251
+1708 1 0.171104 0.872884 0.288161
+1709 2 0.146345 0.891103 0.287691
+1710 2 0.186915 0.874779 0.268022
+1711 1 0.41834 0.782866 0.307798
+1712 2 0.401645 0.801109 0.294944
+1713 2 0.418308 0.790323 0.329675
+1714 1 0.38777 0.751701 0.191768
+1715 2 0.35461 0.747556 0.185854
+1716 2 0.397161 0.772467 0.178253
+1717 1 0.436116 0.911536 0.279381
+1718 2 0.444874 0.927374 0.297452
+1719 2 0.418529 0.893103 0.291623
+1720 1 0.321779 0.696458 0.156345
+1721 2 0.348157 0.684135 0.167899
+1722 2 0.291733 0.684826 0.162402
+1723 1 0.248895 0.66023 0.179805
+1724 2 0.215416 0.668548 0.175388
+1725 2 0.258035 0.666924 0.200614
+1726 1 0.351703 0.809579 0.260595
+1727 2 0.332049 0.830267 0.263744
+1728 2 0.333611 0.790542 0.250634
+1731 2 0.475668 0.761827 0.304728
+1732 1 0.159039 0.767209 0.319948
+1733 2 0.131338 0.751002 0.318518
+1734 2 0.148725 0.788911 0.330853
+1740 2 0.418613 0.666915 0.313902
+1741 1 0.355449 0.731087 0.317346
+1743 2 0.379633 0.74983 0.315393
+1744 1 0.339623 0.614289 0.330856
+1746 2 0.36963 0.628324 0.332404
+1747 1 0.419401 0.729972 0.24778
+1748 2 0.40537 0.737142 0.227679
+1749 2 0.424958 0.751752 0.260328
+1831 1 0.357 0.735066 0.0104936
+1833 2 0.325568 0.741718 0.00349108
+1850 2 0.379353 0.811536 0.00118506
+1852 1 0.32989 0.890384 0.136372
+1853 2 0.327316 0.904793 0.117407
+1854 2 0.362286 0.89458 0.145365
+1855 1 0.464283 0.957534 0.232689
+1856 2 0.456659 0.948542 0.25399
+1857 2 0.471254 0.935062 0.220277
+1858 1 0.491389 0.971732 0.0403541
+1859 2 0.499108 0.951785 0.0266844
+1860 2 0.459215 0.980215 0.0351912
+1861 1 0.24314 0.984334 0.16385
+1862 2 0.26147 0.993251 0.181497
+1863 2 0.244937 0.957789 0.166946
+1867 1 0.318582 0.835749 0.0283095
+1868 2 0.287078 0.831446 0.0349143
+1869 2 0.337 0.843083 0.0468515
+1870 1 0.184281 0.770485 0.0783971
+1871 2 0.179756 0.768143 0.0557893
+1872 2 0.152873 0.763554 0.0876317
+1873 1 0.289592 0.867762 0.2364
+1874 2 0.254268 0.869594 0.237035
+1875 2 0.296878 0.852515 0.218563
+1888 1 0.195491 0.793413 0.243916
+1889 2 0.200454 0.818308 0.236
+1890 2 0.219811 0.791395 0.260598
+1891 1 0.333827 0.934221 0.212919
+1892 2 0.333447 0.910255 0.22208
+1893 2 0.315585 0.949007 0.227229
+1894 1 0.242588 0.792619 0.295172
+1895 2 0.213728 0.786879 0.307428
+1896 2 0.259736 0.768982 0.29288
+1912 1 0.456795 0.952914 0.324863
+1914 2 0.442707 0.973149 0.31351
+1917 2 0.358828 0.988065 0.286696
+1993 1 0.0581617 0.991115 0.0223858
+1995 2 0.0296567 0.99209 0.0354147
+2059 1 0.397434 0.979415 0.110491
+2061 2 0.401102 0.980345 0.133194
+2366 2 0.487769 0.599922 0.203
+2542 1 0.478804 0.553232 0.143633
+2543 2 0.446298 0.546268 0.13909
+2544 2 0.498008 0.544134 0.125858
+2545 1 0.455852 0.647054 0.11888
+2546 2 0.441755 0.623219 0.122695
+2547 2 0.426708 0.661964 0.116655
+2548 1 0.451976 0.675761 0.283023
+2549 2 0.441006 0.694792 0.269134
+2550 2 0.483651 0.682761 0.290262
+2551 1 0.446828 0.573069 0.256398
+2552 2 0.472775 0.581229 0.270425
+2553 2 0.449607 0.593188 0.240887
+2563 1 0.39648 0.521374 0.13738
+2565 2 0.387925 0.513097 0.116436
+2570 2 0.481208 0.597448 0.327395
+2668 1 0.486203 0.724179 0.0154626
+2669 2 0.476564 0.748543 0.0072192
+2670 2 0.472911 0.723442 0.0354673
+2690 2 0.473217 0.870979 0.00498532
+2692 1 0.437293 0.820111 0.185326
+2693 2 0.422801 0.834662 0.202082
+2694 2 0.466754 0.811856 0.196443
+2707 1 0.49366 0.635164 0.0627879
+2708 2 0.467163 0.61955 0.0577564
+2709 2 0.485398 0.640931 0.0840696
+2710 1 0.47694 0.798187 0.0073822
+2711 2 0.448092 0.798488 0.0193376
+2860 1 0.398816 0.958303 0.176483
+2861 2 0.426585 0.953613 0.189367
+2862 2 0.371367 0.948388 0.187127
+2863 1 0.420404 0.883882 0.153096
+2864 2 0.426268 0.85762 0.150627
+2865 2 0.43698 0.88904 0.17193
+2875 1 0.449417 0.887984 0.0338119
+2876 2 0.424214 0.875337 0.0457276
+2877 2 0.454589 0.908276 0.0478314
+2878 1 0.463099 0.914756 0.09489
+2879 2 0.443047 0.93606 0.0954393
+2880 2 0.445257 0.898593 0.106792
+2896 1 0.475712 0.900617 0.201958
+2897 2 0.452569 0.884037 0.2119
+2900 2 0.494348 0.92038 0.169042
+2901 2 0.494502 0.924056 0.133298
+3907 1 0.466965 0.813814 0.130795
+3908 2 0.499024 0.808453 0.124156
+3909 2 0.464356 0.813536 0.153629
+4403 2 0.00079326 0.518387 0.141236
+4543 1 0.113816 0.549672 0.0609708
+4544 2 0.104703 0.572129 0.0729729
+4545 2 0.0979427 0.529066 0.070714
+4570 1 0.11972 0.689683 0.230675
+4571 2 0.125508 0.666156 0.219308
+4572 2 0.0993514 0.704267 0.217559
+4708 1 0.0918115 0.769455 0.0234189
+4709 2 0.117876 0.756956 0.01187
+4710 2 0.0597606 0.758887 0.0178355
+4711 1 0.00601578 0.749883 0.0095203
+4712 2 0.00480494 0.723826 0.0131199
+4720 1 0.0287983 0.653921 0.0873659
+4721 2 0.00748365 0.659795 0.0705976
+4722 2 0.0286971 0.675671 0.100098
+4768 1 0.0712615 0.628624 0.297918
+4769 2 0.0416759 0.641439 0.291842
+4770 2 0.0792365 0.610453 0.282438
+4855 1 0.0987118 0.751938 0.0846574
+4856 2 0.0876047 0.762651 0.0646261
+4857 2 0.0794314 0.764178 0.10166
+4873 1 0.048565 0.896479 0.00570676
+4874 2 0.0163586 0.907279 0.0106582
+4875 2 0.0729877 0.907474 0.0178711
+4879 1 0.0708502 0.924911 0.0948732
+4880 2 0.0966659 0.938635 0.104812
+4881 2 0.0825823 0.924943 0.073885
+4904 2 0.018538 0.836778 0.208734
+88 1 0.19398 0.954718 0.344822
+89 2 0.166622 0.943356 0.335203
+90 2 0.188977 0.981547 0.343779
+117 2 0.0179841 0.952383 0.415151
+412 1 0.0432808 0.506859 0.526147
+414 2 0.0584137 0.530776 0.521855
+556 1 0.0326069 0.511021 0.44068
+558 2 0.0518939 0.523849 0.425463
+559 1 0.258105 0.588738 0.386731
+560 2 0.292469 0.588042 0.393024
+561 2 0.244756 0.567348 0.395872
+562 1 0.148196 0.671487 0.377962
+563 2 0.148716 0.65074 0.363468
+564 2 0.173574 0.665955 0.392596
+574 1 0.0796113 0.599168 0.353108
+576 2 0.113433 0.600123 0.356673
+577 1 0.0940396 0.519096 0.389839
+578 2 0.116927 0.511243 0.374762
+579 2 0.0670949 0.528476 0.378117
+580 1 0.129734 0.568577 0.426003
+581 2 0.162705 0.56269 0.431267
+582 2 0.115702 0.55031 0.412293
+585 2 0.190363 0.50289 0.519934
+586 1 0.221041 0.553759 0.445169
+587 2 0.222571 0.566644 0.465135
+588 2 0.233132 0.529517 0.450238
+589 1 0.144851 0.638908 0.586938
+590 2 0.122195 0.624571 0.574834
+591 2 0.131396 0.663528 0.588796
+592 1 0.0308173 0.535786 0.350203
+593 2 0.0480613 0.558417 0.346039
+604 1 0.0898787 0.570436 0.606318
+605 2 0.0617659 0.554635 0.610038
+606 2 0.105553 0.577437 0.625222
+607 1 0.262399 0.572572 0.65322
+608 2 0.248217 0.597154 0.654938
+610 1 0.176394 0.521544 0.640711
+611 2 0.16088 0.509519 0.622804
+612 2 0.205733 0.508298 0.645131
+613 1 0.225465 0.709554 0.624305
+614 2 0.240919 0.714892 0.643772
+615 2 0.247975 0.692797 0.615036
+619 1 0.0128711 0.621976 0.506159
+620 2 0.0327688 0.639708 0.494983
+621 2 0.0329305 0.600351 0.504518
+622 1 0.125695 0.569324 0.665124
+623 2 0.0975865 0.554159 0.665781
+624 2 0.1498 0.552679 0.655662
+724 1 0.0777032 0.846817 0.343294
+725 2 0.0518539 0.856668 0.35716
+726 2 0.07244 0.820292 0.342903
+727 1 0.219673 0.719422 0.488044
+728 2 0.205933 0.72777 0.46851
+729 2 0.239817 0.738776 0.496398
+733 1 0.292348 0.755576 0.411365
+734 2 0.272397 0.748234 0.393682
+735 2 0.321559 0.740125 0.411521
+736 1 0.172056 0.605413 0.353789
+737 2 0.197189 0.593028 0.363205
+744 2 0.0138814 0.957621 0.334391
+745 1 0.111149 0.790369 0.460104
+746 2 0.140021 0.778999 0.452563
+747 2 0.10779 0.774753 0.478525
+748 1 0.10776 0.71016 0.599085
+749 2 0.11701 0.721366 0.618623
+750 2 0.0749613 0.701211 0.602872
+751 1 0.235813 0.801895 0.557892
+752 2 0.250924 0.796395 0.538047
+753 2 0.214057 0.78219 0.563936
+754 1 0.0983788 0.738882 0.500711
+755 2 0.122757 0.721505 0.505547
+756 2 0.0762099 0.719376 0.494077
+757 1 0.183478 0.753694 0.437912
+758 2 0.208705 0.767902 0.427566
+759 2 0.166318 0.74142 0.420526
+760 1 0.0656683 0.77607 0.341621
+761 2 0.0482775 0.757418 0.35463
+763 1 0.13851 0.743407 0.385366
+764 2 0.1264 0.761338 0.370852
+765 2 0.144824 0.720875 0.375022
+766 1 0.000521223 0.730472 0.451528
+767 2 0.015008 0.7536 0.459693
+768 2 0.0221283 0.71083 0.459071
+769 1 0.150519 0.749453 0.65002
+770 2 0.178206 0.735532 0.641736
+778 1 0.179342 0.629579 0.645842
+779 2 0.158214 0.612668 0.657547
+780 2 0.164539 0.636438 0.626281
+781 1 0.182218 0.745919 0.571821
+782 2 0.19911 0.736884 0.589672
+783 2 0.149754 0.738316 0.576406
+892 1 0.218034 0.899151 0.4241
+893 2 0.228706 0.888914 0.404198
+894 2 0.244243 0.896663 0.438533
+900 2 0.297524 0.978902 0.334163
+904 1 0.214351 0.801682 0.392197
+905 2 0.187915 0.813954 0.403192
+906 2 0.20087 0.801673 0.371191
+910 1 0.170905 0.834016 0.342373
+912 2 0.137128 0.842667 0.341727
+915 2 0.0283923 0.933343 0.478755
+919 1 0.120095 0.930378 0.586241
+920 2 0.126385 0.908176 0.574419
+921 2 0.0920626 0.941691 0.578114
+922 1 0.233243 0.881355 0.36355
+923 2 0.213349 0.862846 0.353796
+924 2 0.219569 0.905073 0.356591
+925 1 0.243452 0.901648 0.508699
+926 2 0.264376 0.896817 0.489988
+927 2 0.26374 0.918128 0.520756
+928 1 0.0950002 0.931268 0.416616
+929 2 0.0968441 0.909949 0.429804
+930 2 0.0984048 0.950755 0.432413
+931 1 0.0906215 0.873021 0.449517
+932 2 0.0600092 0.86031 0.450268
+933 2 0.108639 0.851556 0.44243
+934 1 0.155304 0.929607 0.52691
+935 2 0.141755 0.90508 0.524132
+936 2 0.186795 0.924707 0.520051
+937 1 0.0360399 0.955088 0.568454
+938 2 0.00698262 0.961971 0.557339
+939 2 0.0418818 0.978111 0.578748
+943 1 0.026193 0.990726 0.658853
+944 2 0.00561539 0.99436 0.640743
+946 1 0.119898 0.86733 0.562471
+947 2 0.126946 0.864657 0.540141
+948 2 0.118818 0.842754 0.572952
+953 2 0.140262 0.818833 0.658337
+954 2 0.156553 0.858785 0.656968
+955 1 0.0267563 0.894283 0.588207
+956 2 0.0499583 0.88119 0.575757
+957 2 0.0310018 0.91968 0.58195
+958 1 0.0232134 0.777412 0.631342
+960 2 0.0135948 0.801235 0.640004
+976 1 0.114405 0.810223 0.607686
+977 2 0.125736 0.78716 0.615504
+978 2 0.0804813 0.808234 0.609735
+1087 1 0.309579 0.930228 0.539476
+1088 2 0.324862 0.933135 0.560042
+1089 2 0.324884 0.949787 0.527505
+1096 1 0.149097 0.995431 0.506762
+1097 2 0.147854 0.971796 0.517761
+1099 1 0.234046 0.970145 0.400257
+1100 2 0.219646 0.964783 0.380402
+1101 2 0.219852 0.952717 0.415502
+1122 2 0.245701 0.99255 0.594183
+1124 2 0.213239 0.983159 0.551274
+1396 1 0.264219 0.514979 0.376766
+1397 2 0.270301 0.531604 0.359756
+1398 2 0.295384 0.511143 0.387682
+1403 2 0.360986 0.523936 0.420275
+1405 1 0.38748 0.561875 0.459246
+1406 2 0.421386 0.566665 0.462856
+1407 2 0.376738 0.582456 0.446999
+1444 1 0.39042 0.519275 0.65117
+1446 2 0.364793 0.501451 0.650741
+1564 1 0.221565 0.654903 0.42344
+1565 2 0.245381 0.65733 0.439031
+1566 2 0.213014 0.629952 0.42297
+1567 1 0.338926 0.585119 0.405364
+1568 2 0.360189 0.574313 0.389303
+1569 2 0.353346 0.60715 0.413875
+1573 1 0.402738 0.629923 0.436885
+1574 2 0.4288 0.640369 0.424421
+1575 2 0.410423 0.638464 0.458195
+1582 1 0.284191 0.656633 0.361412
+1583 2 0.265913 0.639967 0.375058
+1584 2 0.270468 0.681857 0.358668
+1585 1 0.278264 0.64657 0.470263
+1586 2 0.303158 0.629776 0.4771
+1587 2 0.258964 0.651623 0.489251
+1588 1 0.152961 0.680004 0.506243
+1589 2 0.166193 0.66128 0.51992
+1590 2 0.179288 0.695774 0.498578
+1591 1 0.355251 0.527124 0.5593
+1592 2 0.344674 0.531696 0.537973
+1593 2 0.359555 0.501606 0.560922
+1594 1 0.233207 0.574303 0.499483
+1595 2 0.268915 0.573659 0.49977
+1596 2 0.220024 0.556593 0.513765
+1597 1 0.221037 0.636175 0.530848
+1598 2 0.223241 0.626486 0.552293
+1599 2 0.223973 0.614537 0.518755
+1606 1 0.222066 0.516521 0.548367
+1607 2 0.23036 0.52472 0.569901
+1608 2 0.251171 0.506573 0.539223
+1609 1 0.392418 0.5679 0.606877
+1610 2 0.3922 0.552201 0.624819
+1611 2 0.380978 0.551229 0.591626
+1613 2 0.260042 0.673644 0.666348
+1620 2 0.425337 0.609721 0.654076
+1630 1 0.269704 0.542566 0.599812
+1631 2 0.304615 0.545545 0.595013
+1632 2 0.267114 0.550081 0.62299
+1735 1 0.40689 0.744226 0.407499
+1736 2 0.394261 0.723765 0.393749
+1737 2 0.407807 0.732261 0.428374
+1738 1 0.409943 0.657098 0.335509
+1739 2 0.433059 0.636397 0.337949
+1742 2 0.358983 0.71769 0.336591
+1745 2 0.314564 0.627264 0.34083
+1750 1 0.268464 0.734312 0.354505
+1751 2 0.291909 0.740965 0.3388
+1752 2 0.241253 0.724446 0.343989
+1753 1 0.306719 0.825338 0.416908
+1754 2 0.281621 0.826168 0.401453
+1755 2 0.310242 0.798877 0.419431
+1756 1 0.298572 0.753306 0.581108
+1757 2 0.289346 0.733314 0.569453
+1758 2 0.275895 0.77292 0.575961
+1759 1 0.396785 0.729902 0.588585
+1760 2 0.361552 0.73361 0.586165
+1761 2 0.398651 0.721321 0.610108
+1762 1 0.367774 0.710052 0.469942
+1763 2 0.342355 0.694664 0.464348
+1764 2 0.355387 0.727791 0.484915
+1765 1 0.343882 0.864561 0.53928
+1766 2 0.323767 0.854292 0.556546
+1767 2 0.330114 0.889149 0.537028
+1768 1 0.489146 0.654799 0.412127
+1770 2 0.492282 0.664766 0.391423
+1771 1 0.0724661 0.568392 0.504926
+1772 2 0.094776 0.564763 0.522417
+1773 2 0.0829905 0.55526 0.486293
+1774 1 0.246164 0.699866 0.551229
+1775 2 0.222044 0.680218 0.547102
+1776 2 0.234811 0.72365 0.54523
+1777 1 0.291557 0.667331 0.594759
+1778 2 0.277471 0.68107 0.576791
+1779 2 0.271484 0.645532 0.595002
+1786 1 0.321643 0.772431 0.640159
+1787 2 0.316096 0.764396 0.619234
+1788 2 0.334317 0.797416 0.638417
+1789 1 0.490661 0.827056 0.627867
+1790 2 0.494515 0.814139 0.608543
+1791 2 0.485752 0.80686 0.642633
+1792 1 0.235787 0.610943 0.585939
+1793 2 0.204147 0.613987 0.594584
+1794 2 0.244061 0.58459 0.587503
+1795 1 0.134148 0.556427 0.551041
+1796 2 0.11718 0.560337 0.571073
+1797 2 0.158676 0.537308 0.555048
+1800 2 0.293062 0.747582 0.665909
+1814 2 0.289465 0.891505 0.649568
+1816 1 0.394721 0.716336 0.648744
+1817 2 0.371724 0.703109 0.661142
+1818 2 0.426242 0.705266 0.651783
+1903 1 0.396394 0.84168 0.409432
+1904 2 0.39792 0.866787 0.417185
+1905 2 0.362842 0.834625 0.410991
+1906 1 0.435612 0.972813 0.395849
+1907 2 0.437525 0.998782 0.391773
+1908 2 0.439038 0.963119 0.374661
+1913 2 0.485544 0.964747 0.334321
+1921 1 0.31422 0.968535 0.369873
+1922 2 0.282971 0.969031 0.380319
+1923 2 0.327655 0.99302 0.368895
+1924 1 0.0972624 0.982463 0.459266
+1925 2 0.114922 0.981531 0.478645
+1927 1 0.426992 0.89206 0.558035
+1928 2 0.400816 0.874175 0.554706
+1929 2 0.431163 0.890279 0.580752
+1930 1 0.366614 0.921445 0.409766
+1931 2 0.359591 0.910029 0.390424
+1932 2 0.353616 0.944764 0.403731
+1933 1 0.401148 0.868071 0.488084
+1934 2 0.394372 0.894188 0.482825
+1935 2 0.387281 0.865518 0.508986
+1936 1 0.283757 0.784329 0.50478
+1937 2 0.287908 0.797609 0.486282
+1938 2 0.317922 0.782339 0.510721
+1939 1 0.152744 0.842617 0.414621
+1940 2 0.162016 0.86766 0.412598
+1941 2 0.122069 0.839604 0.402967
+1942 1 0.299833 0.887532 0.455385
+1943 2 0.304925 0.863627 0.445533
+1944 2 0.32329 0.904869 0.447608
+1945 1 0.243829 0.870641 0.569579
+1946 2 0.228788 0.846901 0.566709
+1947 2 0.242413 0.880221 0.548551
+1948 1 0.14523 0.909891 0.640253
+1949 2 0.131343 0.913925 0.620608
+1950 2 0.136786 0.932704 0.650429
+1957 1 0.445822 0.881683 0.612827
+1958 2 0.460542 0.857863 0.617157
+1959 2 0.454944 0.895797 0.63151
+1960 1 0.256543 0.908281 0.62017
+1961 2 0.256663 0.892277 0.602333
+1962 2 0.224018 0.907832 0.628158
+1963 1 0.138939 0.866016 0.503248
+1964 2 0.115704 0.86744 0.486406
+1965 2 0.166891 0.860861 0.492617
+1966 1 0.204575 0.960076 0.588842
+1967 2 0.224967 0.939257 0.59164
+1968 2 0.171993 0.951273 0.590468
+2115 2 0.425375 0.996582 0.639017
+2121 2 0.409802 0.981641 0.557127
+2131 1 0.408526 0.949516 0.529746
+2132 2 0.415744 0.926266 0.54055
+2133 2 0.411965 0.945701 0.506918
+2154 2 0.485483 0.968714 0.660016
+2155 1 0.350959 0.941725 0.590747
+2156 2 0.334692 0.942919 0.61079
+2157 2 0.370716 0.963644 0.589081
+2427 2 0.479867 0.5014 0.479219
+2428 1 0.331459 0.55482 0.507645
+2429 2 0.320411 0.529566 0.507135
+2430 2 0.348053 0.560589 0.48766
+2569 1 0.463766 0.599314 0.347474
+2571 2 0.483872 0.612141 0.362265
+2581 1 0.475394 0.552857 0.404164
+2582 2 0.468414 0.566078 0.423318
+2587 1 0.387065 0.559362 0.35573
+2588 2 0.420269 0.568382 0.354242
+2589 2 0.367135 0.575512 0.342457
+2591 2 0.445293 0.514462 0.389617
+2592 2 0.412119 0.517531 0.360029
+2593 1 0.457037 0.54886 0.529821
+2594 2 0.422984 0.544467 0.532835
+2595 2 0.460522 0.571887 0.539444
+2596 1 0.424035 0.640831 0.497331
+2597 2 0.390632 0.643613 0.503643
+2598 2 0.439753 0.635863 0.517162
+2608 1 0.477987 0.574015 0.46911
+2609 2 0.476763 0.56858 0.49114
+2610 2 0.483766 0.600335 0.467117
+2611 1 0.331428 0.620751 0.529887
+2612 2 0.335714 0.595071 0.526593
+2613 2 0.342071 0.62772 0.549989
+2617 1 0.464037 0.615459 0.620596
+2618 2 0.439846 0.602603 0.609342
+2619 2 0.493541 0.611776 0.607646
+2622 2 0.4909 0.739118 0.587303
+2638 1 0.484732 0.68634 0.64239
+2639 2 0.477154 0.664164 0.630962
+2740 1 0.47429 0.86893 0.341919
+2741 2 0.465632 0.894144 0.343164
+2742 2 0.490954 0.859208 0.360458
+2744 2 0.475406 0.782733 0.361992
+2758 1 0.364415 0.688683 0.378754
+2759 2 0.38085 0.674846 0.363821
+2760 2 0.332786 0.678035 0.380034
+2761 1 0.424499 0.795074 0.366405
+2762 2 0.420558 0.776681 0.382689
+2763 2 0.416533 0.818928 0.374285
+2764 1 0.451924 0.706904 0.484734
+2765 2 0.454339 0.681306 0.485752
+2766 2 0.417304 0.708469 0.478749
+2774 2 0.483975 0.776205 0.466511
+2775 2 0.48926 0.73453 0.472423
+2779 1 0.432111 0.808296 0.466057
+2780 2 0.42293 0.833394 0.472148
+2781 2 0.420367 0.80832 0.444867
+2782 1 0.372089 0.775834 0.511181
+2783 2 0.3875 0.782264 0.530841
+2784 2 0.391264 0.785084 0.493758
+2785 1 0.466638 0.713293 0.547961
+2786 2 0.440235 0.718557 0.562148
+2787 2 0.462559 0.722391 0.526176
+2788 1 0.367139 0.835608 0.629579
+2789 2 0.389708 0.853668 0.621995
+2790 2 0.349977 0.850206 0.643951
+2800 1 0.442472 0.614821 0.554365
+2801 2 0.419959 0.627818 0.567304
+2802 2 0.474101 0.619173 0.562304
+2803 1 0.371682 0.63366 0.586338
+2804 2 0.377415 0.615979 0.603224
+2805 2 0.34745 0.651198 0.591692
+2806 1 0.47753 0.771479 0.657057
+2807 2 0.48334 0.753705 0.640729
+2908 1 0.412474 0.93367 0.465762
+2909 2 0.402256 0.930326 0.443947
+2910 2 0.431166 0.956282 0.467431
+2913 2 0.476652 0.953625 0.423636
+2931 2 0.47037 0.914529 0.480749
+2943 2 0.488041 0.894043 0.551977
+2945 2 0.481037 0.824712 0.489657
+2947 1 0.328998 0.89681 0.355734
+2948 2 0.319521 0.922527 0.357958
+2949 2 0.298955 0.882526 0.355301
+2950 1 0.407589 0.803475 0.570498
+2951 2 0.41139 0.779458 0.578236
+2952 2 0.398331 0.818988 0.587183
+3643 1 0.499461 0.522096 0.578629
+3644 2 0.482738 0.533428 0.560754
+3645 2 0.47555 0.503371 0.587635
+4591 1 0.0179391 0.608479 0.399696
+4592 2 0.0433265 0.601656 0.384307
+4593 2 0.0406509 0.614185 0.416388
+4594 1 0.0984466 0.639673 0.42987
+4595 2 0.113868 0.616427 0.433869
+4596 2 0.116424 0.650171 0.412649
+4642 1 0.00788255 0.530786 0.614566
+4643 2 0.0107603 0.503871 0.619183
+4649 2 0.0188227 0.543196 0.653131
+4759 1 0.00722352 0.875475 0.386031
+4761 2 0.016835 0.861167 0.404172
+4765 1 0.0696737 0.815061 0.404635
+4766 2 0.0822668 0.802206 0.423586
+4767 2 0.0414861 0.802006 0.399124
+4783 1 0.0697919 0.674606 0.480298
+4784 2 0.102745 0.679652 0.486249
+4785 2 0.0776036 0.655583 0.465354
+4798 1 0.0340341 0.716842 0.36881
+4799 2 0.0117764 0.697286 0.366706
+4800 2 0.061892 0.704738 0.378393
+4808 2 0.0288754 0.748512 0.660906
+4810 1 0.0148426 0.685685 0.623865
+4811 2 0.015901 0.695907 0.64422
+4813 1 0.00754705 0.899002 0.650112
+4814 2 0.0213698 0.898586 0.62892
+4815 2 0.035196 0.895557 0.66423
+4927 1 0.055727 0.93061 0.35868
+4928 2 0.0332981 0.912124 0.367366
+4929 2 0.0787499 0.936177 0.374773
+4960 1 0.0212944 0.733379 0.549726
+4961 2 0.0512408 0.732122 0.538638
+4962 2 0.0032123 0.712074 0.546733
+4985 2 0.00582623 0.777782 0.542753
+118 1 0.106126 0.968649 0.677035
+119 2 0.0731271 0.974297 0.672006
+120 2 0.121579 0.991169 0.676947
+121 1 0.183839 0.983721 0.733293
+122 2 0.171267 0.961113 0.740091
+123 2 0.157793 0.997295 0.724673
+133 1 0.258072 0.979 0.996008
+134 2 0.25689 0.977474 0.973758
+142 1 0.0543623 0.959263 0.752445
+143 2 0.0449229 0.933821 0.751173
+144 2 0.0575372 0.962449 0.775031
+154 1 0.170982 0.985826 0.947478
+155 2 0.162172 0.994837 0.968183
+156 2 0.14152 0.974992 0.939494
+163 1 0.237904 0.97115 0.852008
+164 2 0.250858 0.995942 0.851843
+165 2 0.263133 0.953678 0.857758
+440 2 0.082435 0.504169 0.720551
+441 2 0.0452509 0.507253 0.693522
+445 1 0.102983 0.560178 0.737361
+446 2 0.110918 0.581313 0.751021
+447 2 0.0935265 0.542232 0.752755
+469 1 0.152077 0.524731 0.812134
+470 2 0.145279 0.547457 0.8243
+471 2 0.142744 0.504586 0.826999
+505 1 0.0084882 0.535355 0.983131
+506 2 0.00247404 0.513395 0.996102
+507 2 0.0434444 0.538221 0.986226
+514 1 0.329929 0.520065 0.964327
+515 2 0.33703 0.500912 0.951214
+516 2 0.312634 0.504798 0.978542
+609 2 0.258489 0.560967 0.672145
+625 1 0.149684 0.618322 0.714673
+626 2 0.133278 0.595329 0.71402
+627 2 0.180152 0.612903 0.724904
+628 1 0.131705 0.603807 0.848935
+629 2 0.158228 0.604752 0.864673
+630 2 0.1069 0.617222 0.860107
+631 1 0.192962 0.613063 0.887571
+632 2 0.214874 0.598579 0.899427
+633 2 0.196943 0.634964 0.898837
+634 1 0.290468 0.548947 0.824879
+635 2 0.271584 0.570865 0.821344
+636 2 0.323804 0.556122 0.824238
+637 1 0.282496 0.670918 0.82675
+638 2 0.287152 0.678981 0.847824
+639 2 0.275936 0.693839 0.816466
+640 1 0.22291 0.521084 0.760273
+641 2 0.224708 0.547936 0.761585
+642 2 0.211143 0.515755 0.780809
+646 1 0.0799589 0.508026 0.77541
+647 2 0.0541696 0.520663 0.787292
+648 2 0.107406 0.513334 0.788228
+649 1 0.0956403 0.58633 0.918384
+650 2 0.0704428 0.57568 0.903841
+651 2 0.12488 0.571932 0.912786
+652 1 0.093488 0.613672 0.974676
+653 2 0.0915602 0.605139 0.953264
+654 2 0.0976963 0.588713 0.983203
+655 1 0.150058 0.524766 0.895172
+656 2 0.175312 0.51377 0.883255
+657 2 0.1284 0.504626 0.899067
+658 1 0.274119 0.579327 0.905032
+659 2 0.283861 0.603693 0.901706
+660 2 0.303216 0.566796 0.898524
+661 1 0.278891 0.644375 0.961261
+662 2 0.281183 0.621181 0.971062
+663 2 0.287237 0.642707 0.939057
+672 2 0.034928 0.620367 0.987623
+688 1 0.220016 0.528591 0.942425
+689 2 0.19389 0.527732 0.928128
+690 2 0.245011 0.538719 0.929214
+771 2 0.159393 0.753649 0.671689
+772 1 0.187615 0.681508 0.726927
+773 2 0.17068 0.659325 0.724755
+774 2 0.21237 0.678624 0.711717
+775 1 0.252952 0.729308 0.751627
+776 2 0.246911 0.730756 0.773802
+777 2 0.229801 0.711526 0.745584
+784 1 0.050774 0.650588 0.701877
+785 2 0.0195579 0.638586 0.703803
+786 2 0.0755992 0.632752 0.701296
+790 1 0.0939519 0.716276 0.716128
+791 2 0.0814288 0.691132 0.715361
+792 2 0.129515 0.712675 0.715982
+793 1 0.0101359 0.727836 0.768775
+794 2 0.0288871 0.706242 0.762412
+796 1 0.12379 0.766358 0.832311
+797 2 0.0933924 0.77726 0.824941
+798 2 0.139418 0.760176 0.812243
+799 1 0.13162 0.929844 0.797703
+800 2 0.103608 0.945992 0.799506
+801 2 0.142956 0.919109 0.816877
+802 1 0.331158 0.599924 0.762056
+803 2 0.360562 0.604796 0.749368
+804 2 0.306235 0.588391 0.749472
+805 1 0.0690872 0.833281 0.767291
+806 2 0.0612838 0.810259 0.757123
+807 2 0.0909183 0.827599 0.784306
+808 1 0.139247 0.616663 0.787279
+809 2 0.127087 0.641564 0.787945
+810 2 0.138563 0.609575 0.809315
+811 1 0.0304105 0.655187 0.766093
+812 2 0.024744 0.652566 0.743353
+813 2 0.0139967 0.634817 0.776233
+814 1 0.185445 0.767458 0.703652
+815 2 0.188227 0.76873 0.725804
+816 2 0.217025 0.765419 0.694295
+817 1 0.190851 0.682883 0.96806
+818 2 0.168629 0.677932 0.950214
+819 2 0.187393 0.660521 0.980464
+826 1 0.14659 0.741501 0.77137
+827 2 0.116185 0.745314 0.760962
+828 2 0.145058 0.715372 0.774557
+831 2 0.206638 0.812799 0.98232
+832 1 0.129178 0.66786 0.92188
+833 2 0.112124 0.684135 0.908464
+834 2 0.113266 0.645395 0.918857
+835 1 0.105849 0.683816 0.797629
+836 2 0.074374 0.680078 0.788905
+837 2 0.106119 0.694886 0.817764
+838 1 0.0951735 0.548955 0.999446
+839 2 0.105973 0.523295 0.998569
+856 1 0.165488 0.815824 0.957911
+857 2 0.146934 0.81906 0.938969
+858 2 0.140925 0.82266 0.972865
+859 1 0.0914654 0.837033 0.987755
+861 2 0.0739175 0.857992 0.995513
+940 1 0.076403 0.889919 0.686158
+941 2 0.101206 0.873878 0.67791
+942 2 0.0882236 0.914014 0.68945
+945 2 0.00544096 0.99783 0.675749
+952 1 0.145165 0.840239 0.670862
+961 1 0.0311027 0.890012 0.742246
+962 2 0.0414201 0.871374 0.756668
+963 2 0.0468042 0.886378 0.722137
+964 1 0.155763 0.941863 0.8566
+965 2 0.137341 0.953639 0.872892
+966 2 0.186643 0.954591 0.856172
+967 1 0.336345 0.942255 0.859437
+968 2 0.33085 0.941502 0.88081
+969 2 0.359777 0.922555 0.856945
+970 1 0.152385 0.918216 0.74173
+971 2 0.138028 0.922227 0.762124
+972 2 0.157812 0.89193 0.740465
+979 1 0.0473894 0.775841 0.735509
+980 2 0.0252899 0.762205 0.748272
+981 2 0.069065 0.756819 0.728215
+982 1 0.0546881 0.968274 0.811136
+983 2 0.0496949 0.991324 0.821813
+984 2 0.0261113 0.954732 0.816718
+985 1 0.11967 0.819153 0.906281
+986 2 0.106324 0.795979 0.899176
+987 2 0.133596 0.830688 0.888007
+989 2 0.00373825 0.983044 0.965132
+994 1 0.163893 0.902994 0.986951
+995 2 0.150748 0.924514 0.996847
+996 2 0.144035 0.901262 0.968918
+1000 1 0.155219 0.848668 0.848894
+1001 2 0.182351 0.861786 0.854881
+1002 2 0.162837 0.840963 0.827856
+1003 1 0.00671104 0.728367 0.887562
+1006 1 0.174037 0.74873 0.924547
+1007 2 0.141364 0.740006 0.922483
+1008 2 0.170901 0.770979 0.935933
+1010 2 0.35444 0.985442 0.973299
+1018 1 0.358567 0.972133 0.930346
+1019 2 0.376212 0.994771 0.925093
+1020 2 0.328594 0.973519 0.917799
+1117 1 0.416228 0.972891 0.667924
+1118 2 0.391611 0.955979 0.675649
+1119 2 0.412273 0.995859 0.679759
+1144 1 0.327606 0.980397 0.746776
+1145 2 0.315088 0.986266 0.7674
+1162 1 0.268682 0.944135 0.912604
+1163 2 0.237403 0.955401 0.909972
+1164 2 0.263264 0.919807 0.922069
+1168 1 0.0237572 0.942728 0.950028
+1169 2 0.0404647 0.92917 0.966902
+1170 2 0.000487804 0.925725 0.940558
+1171 1 0.104108 0.980113 0.903571
+1173 2 0.0878406 0.958149 0.911267
+1445 2 0.408354 0.512372 0.670193
+1455 2 0.471432 0.514649 0.701525
+1494 2 0.228104 0.510701 0.981898
+1612 1 0.243796 0.658218 0.680943
+1614 2 0.218647 0.64568 0.668687
+1615 1 0.429414 0.560952 0.760456
+1616 2 0.411642 0.537669 0.762835
+1617 2 0.454348 0.55979 0.776285
+1618 1 0.405184 0.599869 0.671066
+1619 2 0.395233 0.574237 0.666982
+1621 1 0.46843 0.677794 0.70153
+1622 2 0.459548 0.651949 0.699618
+1623 2 0.48211 0.684767 0.681072
+1633 1 0.339621 0.679523 0.695175
+1634 2 0.356845 0.681041 0.714827
+1635 2 0.32096 0.656684 0.696147
+1636 1 0.402413 0.688274 0.741373
+1637 2 0.406351 0.676792 0.761698
+1638 2 0.433167 0.685201 0.729842
+1639 1 0.388149 0.529402 0.826188
+1640 2 0.41789 0.543842 0.826435
+1641 2 0.387004 0.519207 0.805308
+1645 1 0.448305 0.668996 0.789135
+1646 2 0.428663 0.677747 0.806362
+1647 2 0.481526 0.67382 0.791818
+1655 2 0.308991 0.508366 0.80563
+1657 1 0.271161 0.706994 0.87984
+1658 2 0.245902 0.722946 0.871706
+1659 2 0.272277 0.705196 0.902378
+1660 1 0.281891 0.576487 0.983251
+1661 2 0.300435 0.55702 0.97432
+1662 2 0.249639 0.566801 0.983914
+1666 1 0.322377 0.64009 0.907296
+1667 2 0.346142 0.621177 0.906121
+1668 2 0.340065 0.660558 0.898263
+1669 1 0.389741 0.723285 0.893113
+1670 2 0.412374 0.729734 0.910249
+1671 2 0.357336 0.733425 0.899541
+1672 1 0.489494 0.546268 0.995866
+1673 2 0.458459 0.54509 0.985176
+1674 2 0.496071 0.571396 0.998714
+1675 1 0.239431 0.509715 0.864989
+1677 2 0.255236 0.527927 0.850756
+1678 1 0.386792 0.590164 0.890509
+1679 2 0.379156 0.592589 0.868284
+1680 2 0.417778 0.603112 0.890409
+1697 2 0.276886 0.674057 0.99982
+1699 1 0.260998 0.719292 0.939988
+1700 2 0.245877 0.696386 0.947739
+1701 2 0.231634 0.734637 0.936717
+1704 2 0.182719 0.720191 0.988912
+1780 1 0.309957 0.826672 0.709097
+1781 2 0.28344 0.82577 0.722083
+1782 2 0.301718 0.845677 0.694175
+1798 1 0.27076 0.731652 0.677568
+1799 2 0.288094 0.718767 0.693942
+1801 1 0.162061 0.828207 0.789238
+1802 2 0.152447 0.834629 0.767649
+1803 2 0.194605 0.820133 0.79021
+1804 1 0.26803 0.857266 0.819964
+1805 2 0.254545 0.870144 0.802057
+1806 2 0.260272 0.874166 0.837206
+1807 1 0.388672 0.834314 0.740389
+1808 2 0.391635 0.808264 0.74088
+1809 2 0.358434 0.835852 0.729468
+1810 1 0.448455 0.8329 0.686876
+1811 2 0.44005 0.809456 0.678819
+1812 2 0.426969 0.83466 0.705539
+1813 1 0.307569 0.881444 0.666693
+1815 2 0.322659 0.903109 0.674932
+1819 1 0.222383 0.591671 0.760607
+1820 2 0.194323 0.602537 0.769532
+1821 2 0.2474 0.599534 0.775514
+1822 1 0.41246 0.756757 0.741086
+1823 2 0.405688 0.7641 0.719568
+1824 2 0.410665 0.731156 0.737716
+1825 1 0.466447 0.762003 0.789437
+1826 2 0.44225 0.760864 0.774151
+1827 2 0.447356 0.765994 0.808346
+1828 1 0.294122 0.817387 0.960015
+1829 2 0.300735 0.844504 0.96242
+1830 2 0.275537 0.812634 0.978886
+1832 2 0.368946 0.719613 0.993896
+1834 1 0.378997 0.607265 0.829127
+1835 2 0.385193 0.632712 0.832251
+1836 2 0.368222 0.607462 0.808162
+1837 1 0.493714 0.802363 0.937771
+1838 2 0.473176 0.781164 0.942646
+1840 1 0.35433 0.730763 0.792963
+1841 2 0.319389 0.726466 0.790809
+1842 2 0.363252 0.744255 0.773643
+1843 1 0.243602 0.607326 0.828763
+1844 2 0.221204 0.612471 0.846128
+1845 2 0.260822 0.631006 0.827451
+1846 1 0.366017 0.693246 0.960539
+1847 2 0.334012 0.689859 0.951784
+1848 2 0.375475 0.669441 0.967479
+1849 1 0.380579 0.804725 0.979855
+1851 2 0.348175 0.808383 0.973084
+1864 1 0.424344 0.750682 0.948847
+1865 2 0.412361 0.770068 0.96261
+1866 2 0.403422 0.729239 0.952378
+1951 1 0.43826 0.894242 0.750869
+1952 2 0.460975 0.882917 0.764856
+1953 2 0.415198 0.874839 0.746261
+1954 1 0.330169 0.95067 0.690514
+1955 2 0.317168 0.972996 0.680539
+1956 2 0.329033 0.955981 0.713176
+1969 1 0.242667 0.918419 0.718856
+1970 2 0.209694 0.919151 0.713855
+1971 2 0.259131 0.920533 0.698345
+1975 1 0.336431 0.851205 0.887116
+1976 2 0.354013 0.857013 0.868615
+1977 2 0.336262 0.825333 0.887304
+1978 1 0.3122 0.992096 0.809488
+1980 2 0.310691 0.970139 0.822209
+1984 1 0.245436 0.800603 0.748831
+1985 2 0.269053 0.806061 0.764792
+1986 2 0.254379 0.776211 0.743021
+1987 1 0.170963 0.844336 0.72858
+1988 2 0.162195 0.838415 0.706734
+1989 2 0.195569 0.82666 0.735534
+1990 1 0.244294 0.903493 0.778036
+1991 2 0.249113 0.905346 0.755333
+1992 2 0.214831 0.91577 0.782581
+1996 1 0.112623 0.886896 0.935526
+1997 2 0.101243 0.861975 0.937051
+1998 2 0.111608 0.893443 0.913779
+1999 1 0.323852 0.768787 0.918467
+2000 2 0.301372 0.748841 0.923208
+2001 2 0.309789 0.787953 0.93131
+2002 1 0.230945 0.880701 0.934372
+2003 2 0.19931 0.878728 0.94308
+2004 2 0.251395 0.87763 0.952823
+2005 1 0.297719 0.884395 0.979324
+2006 2 0.306493 0.873092 0.998794
+2007 2 0.322009 0.90401 0.978836
+2008 1 0.25123 0.734532 0.81281
+2009 2 0.271375 0.75598 0.813294
+2010 2 0.225721 0.739217 0.827269
+2011 1 0.19757 0.744205 0.862887
+2012 2 0.1716 0.757741 0.851898
+2013 2 0.190043 0.746455 0.88499
+2014 1 0.239552 0.879176 0.876632
+2015 2 0.223593 0.874405 0.89677
+2016 2 0.273011 0.872186 0.880382
+2038 1 0.471036 0.997279 0.966568
+2040 2 0.479345 0.971061 0.965309
+2179 1 0.444467 0.965754 0.857085
+2180 2 0.413439 0.96178 0.847627
+2181 2 0.441602 0.990864 0.864622
+2644 1 0.488021 0.579744 0.818763
+2645 2 0.465327 0.59971 0.823141
+2647 1 0.471186 0.508881 0.859629
+2648 2 0.475598 0.532498 0.850324
+2659 1 0.453287 0.608802 0.719018
+2660 2 0.442421 0.59547 0.736972
+2661 2 0.427176 0.607743 0.702933
+2665 1 0.461034 0.623515 0.868818
+2666 2 0.458576 0.6443 0.854732
+2667 2 0.486925 0.628427 0.882558
+2677 1 0.385856 0.628658 0.97048
+2678 2 0.39663 0.604486 0.964674
+2679 2 0.382416 0.629298 0.993311
+2680 1 0.408839 0.555318 0.957327
+2681 2 0.415338 0.539976 0.938903
+2682 2 0.376583 0.546143 0.962941
+2683 1 0.382889 0.517123 0.891088
+2684 2 0.386254 0.543942 0.888925
+2685 2 0.405152 0.506684 0.875827
+2689 1 0.491241 0.861007 0.987318
+2691 2 0.495832 0.880563 0.971433
+2712 2 0.480909 0.823715 0.999541
+2808 2 0.491111 0.759559 0.675304
+2812 1 0.432044 0.760074 0.847386
+2813 2 0.404373 0.750307 0.859366
+2814 2 0.458516 0.761571 0.861608
+2831 2 0.496707 0.781338 0.900343
+2851 1 0.389686 0.690739 0.834633
+2852 2 0.377738 0.708622 0.819082
+2853 2 0.387351 0.700551 0.855803
+2854 1 0.481951 0.668419 0.970024
+2855 2 0.450271 0.663128 0.962278
+2856 2 0.48045 0.69073 0.983122
+2956 1 0.420959 0.958606 0.777871
+2957 2 0.424556 0.934304 0.769057
+2958 2 0.391181 0.968222 0.769573
+2974 1 0.475732 0.906834 0.69226
+2975 2 0.464448 0.882247 0.685699
+2976 2 0.461132 0.90865 0.713207
+2980 1 0.48954 0.999682 0.728214
+2981 2 0.468949 0.987685 0.743217
+2983 1 0.389305 0.883558 0.843356
+2984 2 0.376454 0.88835 0.822749
+2985 2 0.421179 0.873284 0.840846
+2995 1 0.389844 0.771291 0.688231
+2996 2 0.394588 0.753887 0.671619
+2997 2 0.359823 0.781179 0.681656
+2998 1 0.348763 0.900247 0.788337
+2999 2 0.316577 0.909547 0.789067
+3000 2 0.364502 0.910269 0.770595
+3004 1 0.392424 0.919336 0.975415
+3005 2 0.387831 0.897272 0.961681
+3006 2 0.381014 0.939577 0.962297
+3007 1 0.467714 0.868948 0.91954
+3008 2 0.436513 0.870876 0.929548
+3009 2 0.479113 0.845225 0.927249
+3011 2 0.489405 0.932009 0.875443
+3012 2 0.49719 0.899219 0.895518
+3016 1 0.48653 0.861554 0.840145
+3019 1 0.303549 0.795884 0.796528
+3020 2 0.292429 0.819014 0.806087
+3021 2 0.335224 0.789765 0.802712
+3022 1 0.378455 0.865374 0.942106
+3023 2 0.355464 0.865463 0.924938
+3024 2 0.37949 0.839044 0.946489
+3883 1 0.497464 0.92689 0.969164
+3885 2 0.463162 0.925614 0.975094
+4003 1 0.49807 0.851319 0.779622
+4004 2 0.497847 0.861038 0.800997
+4005 2 0.492754 0.825615 0.780975
+4006 1 0.498867 0.980704 0.806953
+4007 2 0.486644 0.976359 0.828017
+4008 2 0.470191 0.976824 0.794936
+4163 2 0.00117927 0.973099 0.879678
+4522 1 0.0400621 0.565801 0.870896
+4523 2 0.0310945 0.541233 0.876224
+4524 2 0.0342979 0.566853 0.848857
+4639 1 0.0052289 0.535694 0.737796
+4640 2 0.0270117 0.546896 0.72173
+4641 2 0.0183232 0.511206 0.742332
+4648 1 0.0212252 0.543171 0.675439
+4663 1 0.00501784 0.529365 0.811175
+4666 1 0.0565456 0.646209 0.872008
+4667 2 0.0476336 0.626685 0.885521
+4668 2 0.0280535 0.658457 0.865883
+4716 2 0.0163662 0.820093 0.968435
+4807 1 0.0251025 0.729585 0.676433
+4809 2 0.0551535 0.725323 0.6869
+4858 1 0.0375879 0.785906 0.816952
+4859 2 0.0237898 0.765347 0.807033
+4860 2 0.0147812 0.789877 0.833209
+4861 1 0.0898934 0.894695 0.871973
+4862 2 0.109153 0.913177 0.86192
+4863 2 0.100846 0.870155 0.865004
+4870 1 0.00190498 0.710517 0.949415
+5005 1 0.00968913 0.931747 0.87202
+5007 2 0.0389362 0.916408 0.873869
+5016 2 6.51131e-06 0.798684 0.720163
+5026 1 0.0908072 0.754324 0.890354
+5027 2 0.0572902 0.746402 0.890758
+5028 2 0.0965025 0.752922 0.868079
+5033 2 0.00887785 0.840492 0.81026
+4 1 0.991209 0.280845 0.0439586
+5 2 0.992424 0.302906 0.056416
+21 2 0.989019 0.0372505 0.037223
+151 1 0.999476 0.01791 0.093111
+153 2 0.988587 0.0159481 0.114622
+196 1 0.991259 0.252641 0.218644
+197 2 0.962763 0.263159 0.209847
+211 1 0.943985 0.215017 0.11955
+212 2 0.95958 0.217612 0.139324
+213 2 0.946542 0.190832 0.111304
+217 1 0.971813 0.329647 0.326193
+218 2 0.938158 0.334783 0.323697
+219 2 0.982783 0.321506 0.306346
+357 2 0.997154 0.352474 0.0756722
+379 1 0.885023 0.398479 0.102788
+380 2 0.866545 0.385304 0.118816
+381 2 0.863427 0.417373 0.0954003
+403 1 0.977378 0.331884 0.265279
+404 2 0.972909 0.356758 0.27105
+405 2 0.963957 0.328153 0.244515
+520 1 0.991373 0.41026 0.0209601
+521 2 0.975573 0.389168 0.0118334
+844 1 0.97192 0.0150179 0.153308
+845 2 0.937469 0.016017 0.155171
+1014 2 0.982177 0.142773 0.0960887
+1039 1 0.594886 0.125959 0.317266
+1040 2 0.624493 0.111068 0.318056
+1384 1 0.533712 0.389807 0.0944911
+1385 2 0.54143 0.382543 0.0731387
+1386 2 0.509274 0.409087 0.0946002
+2023 1 0.706367 0.0977156 0.104396
+2024 2 0.690873 0.114407 0.11927
+2025 2 0.733504 0.110973 0.0967768
+2026 1 0.515327 0.173227 0.0121614
+2027 2 0.514983 0.147184 0.0068231
+2029 1 0.651495 0.0360827 0.106897
+2030 2 0.681796 0.0484779 0.102254
+2031 2 0.631121 0.0556491 0.114439
+2032 1 0.521909 0.0345844 0.0105888
+2034 2 0.51755 0.0112253 0.0214315
+2041 1 0.600514 0.180723 0.219602
+2042 2 0.630844 0.171489 0.211208
+2043 2 0.586989 0.160311 0.232287
+2047 1 0.523693 0.00932925 0.14862
+2048 2 0.506876 0.0216786 0.131691
+2050 1 0.594411 0.118559 0.175269
+2051 2 0.598057 0.09321 0.185159
+2052 2 0.559599 0.126398 0.1761
+2053 1 0.688217 0.133155 0.227451
+2054 2 0.713509 0.122259 0.214981
+2055 2 0.668241 0.113513 0.236729
+2058 2 0.515279 0.0354544 0.0835811
+2071 1 0.513536 0.164467 0.285566
+2073 2 0.547913 0.159594 0.28851
+2074 1 0.669285 0.0798649 0.305713
+2075 2 0.662516 0.0711652 0.326454
+2076 2 0.702321 0.0875836 0.304233
+2080 1 0.517548 0.0566472 0.271556
+2081 2 0.529264 0.0631112 0.250742
+2082 2 0.517666 0.0296541 0.273036
+2083 1 0.512259 0.0787531 0.211473
+2085 2 0.538243 0.0653101 0.199129
+2187 2 0.520462 0.258025 0.0307232
+2193 2 0.522382 0.184416 0.129909
+2194 1 0.580943 0.0857559 0.123357
+2195 2 0.550822 0.0957276 0.11765
+2196 2 0.58933 0.0943123 0.143607
+2200 1 0.562087 0.233365 0.0183495
+2202 2 0.544395 0.209903 0.01958
+2206 1 0.511544 0.285309 0.101149
+2207 2 0.515902 0.282708 0.0785178
+2208 2 0.541096 0.276663 0.111235
+2215 1 0.595067 0.294707 0.247385
+2216 2 0.590437 0.311345 0.230062
+2217 2 0.575175 0.305453 0.263673
+2221 1 0.54483 0.392676 0.238682
+2222 2 0.554577 0.408322 0.255921
+2223 2 0.520369 0.40765 0.229758
+2248 1 0.517023 0.231473 0.290942
+2249 2 0.51796 0.238206 0.268606
+2250 2 0.511892 0.204976 0.289427
+2356 1 0.581535 0.453736 0.155771
+2357 2 0.556038 0.435759 0.155395
+2358 2 0.588315 0.455991 0.132911
+2359 1 0.704073 0.490012 0.133799
+2361 2 0.674489 0.484363 0.122868
+2362 1 0.609318 0.469699 0.0970829
+2363 2 0.583466 0.487633 0.0920855
+2364 2 0.620359 0.457554 0.078183
+2369 2 0.513382 0.484438 0.0236025
+2377 1 0.649312 0.406433 0.167022
+2378 2 0.64699 0.395237 0.147006
+2379 2 0.627129 0.42587 0.166285
+2384 2 0.600119 0.495311 0.164381
+2386 1 0.707654 0.492059 0.221713
+2387 2 0.704909 0.478779 0.241135
+2388 2 0.70991 0.474416 0.205843
+2392 1 0.50823 0.328054 0.166441
+2394 2 0.505387 0.315581 0.14681
+2398 1 0.521469 0.400386 0.151968
+2399 2 0.535292 0.40455 0.131263
+2400 2 0.520972 0.373484 0.155728
+2401 1 0.560793 0.435057 0.287159
+2402 2 0.526047 0.42979 0.293024
+2403 2 0.580597 0.417671 0.299007
+2410 1 0.579045 0.38219 0.325247
+2411 2 0.559507 0.363413 0.315644
+2417 2 0.500791 0.453404 0.207349
+2501 2 0.516908 0.406469 0.0100746
+2503 1 0.551821 0.375025 0.0311594
+2504 2 0.528195 0.355692 0.0293125
+2505 2 0.581962 0.365604 0.0213863
+2509 1 0.651309 0.432589 0.0534136
+2510 2 0.635584 0.439286 0.034384
+2511 2 0.684806 0.431632 0.0476405
+2560 1 0.599465 0.490252 0.263293
+2562 2 0.583301 0.473714 0.277647
+2566 1 0.532487 0.485479 0.222327
+2567 2 0.55753 0.482542 0.238453
+2869 1 0.563629 0.0141712 0.0866161
+2871 2 0.590197 0.023783 0.0985953
+2884 1 0.63398 0.0067124 0.225238
+2890 1 0.628796 0.00691938 0.297609
+2891 2 0.627586 0.0315891 0.289222
+2892 2 0.623701 0.0090158 0.32053
+2893 1 0.565516 0.123956 0.24763
+2894 2 0.588403 0.105398 0.252794
+2895 2 0.543615 0.111694 0.231564
+2902 1 0.532735 0.00313072 0.215436
+2903 2 0.530121 0.00300241 0.192493
+2914 1 0.74498 0.0247457 0.268482
+2915 2 0.74332 0.0372038 0.288714
+3025 1 0.596941 0.0939679 0.0578639
+3026 2 0.605312 0.0971158 0.079765
+3027 2 0.561581 0.0961952 0.057952
+3028 1 0.584035 0.190591 0.114387
+3029 2 0.607102 0.177728 0.126316
+3030 2 0.597644 0.197046 0.094623
+3031 1 0.750141 0.0143897 0.0552285
+3032 2 0.718644 0.0223633 0.0488778
+3033 2 0.767783 0.0146947 0.035641
+3034 1 0.645674 0.121341 0.0184989
+3035 2 0.620874 0.107415 0.0290036
+3036 2 0.663077 0.132936 0.0357062
+3037 1 0.572229 0.254209 0.144703
+3038 2 0.600255 0.2689 0.151205
+3039 2 0.582931 0.229011 0.139958
+3040 1 0.878936 0.0828662 0.0561991
+3041 2 0.855572 0.0698777 0.0682927
+3042 2 0.882111 0.0680156 0.0376721
+3046 1 0.503079 0.10416 0.00907106
+3048 2 0.521165 0.0819183 0.0139599
+3049 1 0.791026 0.0409813 0.14728
+3050 2 0.762831 0.0370836 0.159801
+3051 2 0.814726 0.0262489 0.157439
+3052 1 0.720831 0.207118 0.23104
+3053 2 0.703267 0.228701 0.237069
+3054 2 0.70069 0.18641 0.230212
+3055 1 0.843319 0.0749243 0.268554
+3056 2 0.811075 0.0848597 0.268696
+3057 2 0.85818 0.0782293 0.288954
+3058 1 0.837416 0.108498 0.201638
+3059 2 0.870668 0.11113 0.196479
+3060 2 0.836173 0.124044 0.219905
+3061 1 0.833007 0.151666 0.253761
+3062 2 0.866827 0.146807 0.257636
+3063 2 0.824296 0.174142 0.263162
+3067 1 0.590719 0.0528256 0.182723
+3068 2 0.582274 0.0347629 0.167556
+3069 2 0.612986 0.0413567 0.196985
+3070 1 0.637706 0.077154 0.249628
+3071 2 0.654068 0.0807518 0.269179
+3072 2 0.640544 0.0513242 0.244792
+3073 1 0.764016 0.116006 0.285654
+3074 2 0.779132 0.139727 0.287796
+3075 2 0.744035 0.122326 0.268522
+3088 1 0.768006 0.0599317 0.321353
+3089 2 0.771479 0.084286 0.31332
+3094 1 0.553721 0.0620986 0.32931
+3095 2 0.537718 0.0601463 0.309021
+3096 2 0.562939 0.0880171 0.330414
+3193 1 0.678362 0.166279 0.0569381
+3194 2 0.704751 0.16767 0.072517
+3195 2 0.66582 0.191691 0.0545466
+3196 1 0.595317 0.341781 0.197215
+3197 2 0.561033 0.341331 0.19472
+3198 2 0.606083 0.367405 0.197528
+3199 1 0.748759 0.298963 0.165495
+3200 2 0.750696 0.272242 0.168561
+3201 2 0.741528 0.308988 0.186107
+3202 1 0.838666 0.305794 0.107164
+3203 2 0.844082 0.326272 0.120743
+3204 2 0.808187 0.311067 0.0967727
+3205 1 0.672711 0.29472 0.099043
+3206 2 0.651861 0.300873 0.116586
+3207 2 0.699536 0.283247 0.10977
+3208 1 0.793489 0.198267 0.00432753
+3209 2 0.799506 0.175774 0.0167604
+3213 2 0.684171 0.207514 0.0119272
+3214 1 0.643832 0.29224 0.160277
+3215 2 0.67764 0.293855 0.164259
+3216 2 0.6299 0.312008 0.171852
+3217 1 0.807323 0.225774 0.265977
+3218 2 0.795368 0.239292 0.28454
+3219 2 0.778961 0.217237 0.255708
+3220 1 0.672546 0.442809 0.258159
+3221 2 0.641793 0.454244 0.255426
+3222 2 0.677958 0.448839 0.280633
+3223 1 0.750548 0.233017 0.176263
+3224 2 0.767331 0.213134 0.165116
+3225 2 0.745549 0.226492 0.19853
+3226 1 0.886275 0.21361 0.294435
+3227 2 0.887804 0.189862 0.30493
+3228 2 0.85375 0.21533 0.286104
+3229 1 0.827336 0.342289 0.214908
+3230 2 0.832778 0.315751 0.216166
+3231 2 0.811147 0.348333 0.23384
+3232 1 0.673254 0.139221 0.148786
+3233 2 0.696976 0.131342 0.163867
+3234 2 0.642083 0.132438 0.157984
+3235 1 0.536046 0.229683 0.230549
+3236 2 0.554863 0.251772 0.231271
+3237 2 0.558832 0.210307 0.225898
+3238 1 0.644648 0.17724 0.278498
+3239 2 0.628469 0.157696 0.288989
+3240 2 0.624431 0.183283 0.260943
+3241 1 0.685108 0.267435 0.253113
+3242 2 0.701768 0.289814 0.257533
+3243 2 0.653514 0.27732 0.249471
+3262 1 0.605152 0.24398 0.316974
+3263 2 0.573031 0.237253 0.309775
+3264 2 0.620187 0.247285 0.297928
+3340 1 0.624956 0.341347 0.00992901
+3341 2 0.652655 0.354639 0.00204455
+3342 2 0.63291 0.315253 0.00667185
+3361 1 0.83615 0.446412 0.052474
+3362 2 0.801176 0.448873 0.0512142
+3363 2 0.847919 0.468042 0.0637228
+3367 1 0.746137 0.356106 0.128007
+3368 2 0.746223 0.332167 0.138531
+3369 2 0.714264 0.360951 0.118463
+3370 1 0.775266 0.415478 0.100993
+3371 2 0.766359 0.390961 0.110532
+3372 2 0.754874 0.422273 0.0840312
+3373 1 0.79862 0.47343 0.12326
+3374 2 0.79203 0.450381 0.113013
+3375 2 0.767642 0.485053 0.12592
+3379 1 0.642402 0.230302 0.0520032
+3380 2 0.611952 0.237486 0.0424488
+3381 2 0.658484 0.252086 0.0589023
+3382 1 0.705299 0.314792 0.0489847
+3383 2 0.6892 0.307367 0.0303151
+3384 2 0.684826 0.306993 0.067096
+3385 1 0.727527 0.446582 0.176436
+3386 2 0.720507 0.464283 0.15976
+3387 2 0.702032 0.428938 0.171094
+3391 1 0.799168 0.366001 0.266855
+3392 2 0.81395 0.354614 0.284759
+3393 2 0.77776 0.383297 0.275444
+3394 1 0.831354 0.363984 0.154853
+3395 2 0.799878 0.359142 0.146265
+3396 2 0.829387 0.352776 0.175845
+3397 1 0.671462 0.461409 0.319011
+3398 2 0.642661 0.470425 0.328994
+3399 2 0.696338 0.47854 0.321172
+3400 1 0.868529 0.241239 0.085352
+3401 2 0.855536 0.264981 0.0925182
+3402 2 0.897712 0.23526 0.0963561
+3403 1 0.639608 0.391166 0.104526
+3404 2 0.605981 0.382658 0.0997044
+3405 2 0.647144 0.407802 0.0863157
+3406 1 0.707907 0.332806 0.21273
+3407 2 0.733522 0.344708 0.223424
+3408 2 0.677448 0.344209 0.217625
+3418 1 0.84223 0.440145 0.320283
+3419 2 0.813211 0.425818 0.317185
+3420 2 0.842191 0.458957 0.303839
+3424 1 0.520839 0.343564 0.290316
+3426 2 0.506984 0.367893 0.293404
+3427 1 0.642219 0.37328 0.252623
+3428 2 0.655493 0.398503 0.248965
+3429 2 0.606828 0.372975 0.250725
+3508 1 0.745216 0.448623 0.0425657
+3509 2 0.743519 0.432472 0.0247033
+3510 2 0.745094 0.473197 0.0336319
+3535 1 0.816686 0.436032 0.180906
+3536 2 0.812072 0.41171 0.172651
+3537 2 0.785108 0.446901 0.176212
+3548 2 0.614722 0.494295 0.00826366
+3564 2 0.826325 0.490201 0.187089
+3865 1 0.652288 0.0191503 0.0416414
+3866 2 0.633679 0.040697 0.0374676
+3867 2 0.646069 0.0162968 0.0636396
+3869 2 0.644365 0.00693703 0.134262
+3892 1 0.708196 0.0378263 0.181547
+3893 2 0.678077 0.0256779 0.17538
+3894 2 0.72355 0.0217864 0.196355
+3901 1 0.897393 0.0335754 0.232668
+3902 2 0.898653 0.0150595 0.248456
+3903 2 0.874022 0.0507196 0.24322
+4033 1 0.83545 0.256464 0.0262818
+4034 2 0.820563 0.232395 0.0209437
+4035 2 0.841445 0.254442 0.0486299
+4036 1 0.80787 0.058808 0.0920201
+4037 2 0.798243 0.0500417 0.112028
+4038 2 0.786751 0.0468989 0.077321
+4039 1 0.915955 0.135655 0.0933784
+4040 2 0.88783 0.148064 0.100743
+4041 2 0.908699 0.113282 0.0836631
+4042 1 0.950813 0.0087766 0.0216085
+4043 2 0.967048 0.0094556 0.00161237
+4044 2 0.915875 0.0114627 0.0187615
+4048 1 0.82005 0.141181 0.0330695
+4049 2 0.802281 0.138531 0.0522506
+4050 2 0.846566 0.124998 0.0366366
+4057 1 0.874507 0.00036742 0.117003
+4058 2 0.874768 0.0169926 0.133992
+4059 2 0.84404 0.00385413 0.106166
+4060 1 0.836134 0.181072 0.106582
+4061 2 0.850835 0.203703 0.0987498
+4062 2 0.834187 0.184141 0.129112
+4063 1 0.93053 0.118034 0.202205
+4064 2 0.954824 0.0993217 0.20209
+4065 2 0.94687 0.140569 0.194349
+4066 1 0.878159 0.0384642 0.172274
+4067 2 0.875231 0.031641 0.193793
+4068 2 0.872 0.0640658 0.173391
+4069 1 0.837732 0.187702 0.169538
+4070 2 0.857936 0.200627 0.184646
+4071 2 0.823736 0.168252 0.1809
+4075 1 0.788228 0.0230903 0.218702
+4076 2 0.801767 0.0473768 0.221801
+4077 2 0.76846 0.0213104 0.237281
+4081 1 0.924965 0.147615 0.255102
+4082 2 0.931807 0.135587 0.23557
+4083 2 0.949092 0.139766 0.269969
+4090 1 0.877717 0.0752651 0.324863
+4099 1 0.844985 0.00171877 0.293439
+4100 2 0.840529 0.0281901 0.293933
+4194 2 0.818325 0.102123 0.0101015
+4204 1 0.881797 0.327153 0.0245252
+4205 2 0.850332 0.333862 0.0324987
+4206 2 0.881702 0.301258 0.0210548
+4213 1 0.923651 0.181131 0.033959
+4214 2 0.955215 0.182079 0.0439821
+4215 2 0.903891 0.195561 0.0476532
+4216 1 0.944531 0.0990028 0.00602579
+4217 2 0.969252 0.0910451 0.0208806
+4218 2 0.928407 0.117637 0.0170901
+4222 1 0.783463 0.126742 0.0869395
+4223 2 0.799068 0.104757 0.0929295
+4224 2 0.798905 0.146635 0.0976656
+4225 1 0.888214 0.211632 0.211161
+4226 2 0.881769 0.198479 0.230399
+4227 2 0.885195 0.236919 0.216402
+4228 1 0.879146 0.280087 0.229468
+4229 2 0.882432 0.271001 0.251475
+4230 2 0.901076 0.300201 0.225627
+4237 1 0.97197 0.237138 0.283314
+4238 2 0.936961 0.229134 0.285191
+4239 2 0.974375 0.24308 0.261048
+4240 1 0.969103 0.178901 0.188335
+4241 2 0.993053 0.198236 0.183588
+4242 2 0.94328 0.194294 0.195318
+4243 1 0.744478 0.101686 0.187806
+4244 2 0.737342 0.0759136 0.184133
+4245 2 0.779484 0.103545 0.18892
+4249 1 0.71151 0.205951 0.318387
+4250 2 0.721941 0.226854 0.305449
+4251 2 0.691599 0.191963 0.303909
+4252 1 0.81276 0.339834 0.323353
+4253 2 0.800054 0.363088 0.330499
+4257 2 0.981627 0.254418 0.31858
+4258 1 0.788814 0.265213 0.311746
+4259 2 0.799439 0.289858 0.3109
+4260 2 0.808761 0.251556 0.326629
+4267 1 0.796096 0.171268 0.318588
+4268 2 0.769065 0.185452 0.326227
+4348 1 0.93302 0.24789 0.000439137
+4349 2 0.935248 0.221498 0.00220634
+4350 2 0.951041 0.259232 0.0176227
+4375 1 0.82779 0.393758 0.0123096
+4376 2 0.804829 0.375635 0.0196372
+4377 2 0.836479 0.410122 0.0293758
+4385 2 0.934774 0.330168 0.00373635
+4387 1 0.781361 0.341749 0.0319948
+4388 2 0.783413 0.325618 0.0140125
+4389 2 0.750828 0.333156 0.0393465
+4390 1 0.941237 0.348382 0.0733013
+4391 2 0.921031 0.365753 0.0837734
+4392 2 0.917513 0.341371 0.0573434
+4393 1 0.990776 0.336802 0.15801
+4394 2 0.992168 0.320478 0.140034
+4396 1 0.91046 0.420501 0.189454
+4397 2 0.935138 0.420119 0.173765
+4398 2 0.878837 0.425267 0.179467
+4399 1 0.968656 0.405188 0.268498
+4400 2 0.94266 0.416051 0.256874
+4401 2 0.961692 0.409345 0.290646
+4404 2 0.977115 0.485265 0.156722
+4408 1 0.939604 0.331016 0.2071
+4409 2 0.962351 0.334529 0.190824
+4410 2 0.916116 0.347797 0.198745
+4411 1 0.994861 0.285872 0.118161
+4412 2 0.999355 0.260807 0.123697
+4413 2 0.979771 0.283807 0.0981418
+4414 1 0.874824 0.423347 0.244985
+4415 2 0.883501 0.424143 0.223116
+4416 2 0.849971 0.404303 0.24423
+4417 1 0.761555 0.40632 0.318339
+4419 2 0.730021 0.398291 0.313981
+4435 1 0.686445 0.35933 0.300159
+4436 2 0.674927 0.361516 0.278854
+4437 2 0.655755 0.358371 0.311399
+4576 1 0.924694 0.454438 0.132402
+4577 2 0.921019 0.4311 0.12148
+4578 2 0.914191 0.473436 0.11843
+4580 2 0.837117 0.495641 0.104794
+4584 2 0.9282 0.482312 0.218676
+4600 1 0.986948 0.490051 0.305223
+4601 2 0.975526 0.475421 0.289307
+4602 2 0.959657 0.495325 0.316871
+4603 1 0.835801 0.482844 0.267624
+4604 2 0.852188 0.46466 0.255043
+4605 2 0.801242 0.482768 0.262804
+4606 1 0.925819 0.421487 0.320765
+4607 2 0.890587 0.42622 0.32038
+4931 2 0.984652 0.0484722 0.332604
+52 1 0.913679 0.198473 0.388358
+53 2 0.914875 0.178109 0.403516
+54 2 0.93715 0.215325 0.397687
+94 1 0.989924 0.0705692 0.518099
+95 2 0.964964 0.0547057 0.527624
+96 2 0.984062 0.0682797 0.495325
+113 2 0.996606 0.209904 0.570011
+114 2 0.971915 0.178964 0.550219
+140 2 0.967445 0.0892492 0.587498
+224 2 0.996398 0.138949 0.388888
+241 1 0.970324 0.246476 0.422416
+243 2 0.96507 0.250423 0.444878
+244 1 0.908569 0.26612 0.545192
+245 2 0.874561 0.262641 0.537919
+246 2 0.919893 0.242895 0.553987
+259 1 0.9092 0.20048 0.481779
+260 2 0.886505 0.187 0.494121
+261 2 0.938791 0.202535 0.493136
+269 2 0.993819 0.378784 0.640497
+277 1 0.95244 0.291862 0.621643
+278 2 0.968858 0.315226 0.619322
+279 2 0.945316 0.285591 0.643684
+280 1 0.988087 0.146674 0.621214
+281 2 0.9983 0.122935 0.613828
+282 2 0.986866 0.159893 0.602006
+286 1 0.968295 0.232561 0.599493
+287 2 0.965123 0.224046 0.620567
+288 2 0.964353 0.259197 0.604294
+307 1 0.948731 0.195803 0.65836
+308 2 0.963731 0.174601 0.647293
+427 1 0.99957 0.348873 0.483014
+428 2 0.973651 0.341835 0.497651
+429 2 0.982815 0.366192 0.468956
+436 1 0.986836 0.403449 0.664607
+451 1 0.928545 0.330355 0.536454
+452 2 0.920768 0.304905 0.541897
+453 2 0.917386 0.346454 0.553432
+1041 2 0.592673 0.137391 0.33762
+1068 2 0.526783 0.109086 0.386548
+1381 1 0.507675 0.498551 0.342909
+1400 2 0.526787 0.353117 0.464069
+1401 2 0.506863 0.378217 0.437584
+2077 1 0.625347 0.0893135 0.443613
+2078 2 0.599234 0.0757816 0.452835
+2079 2 0.619824 0.115004 0.449251
+2086 1 0.578698 0.154137 0.450112
+2087 2 0.543412 0.152973 0.446926
+2088 2 0.587459 0.180375 0.44993
+2092 1 0.507172 0.120734 0.52251
+2093 2 0.505813 0.147537 0.524546
+2095 1 0.590084 0.0433792 0.617269
+2096 2 0.582339 0.0463151 0.63951
+2097 2 0.560773 0.0522133 0.606722
+2098 1 0.695426 0.197037 0.499203
+2099 2 0.726695 0.196801 0.487723
+2100 2 0.701537 0.179478 0.517245
+2101 1 0.665212 0.11205 0.504967
+2102 2 0.680594 0.124064 0.522989
+2103 2 0.635709 0.101476 0.513541
+2107 1 0.527499 0.0673228 0.435265
+2108 2 0.51738 0.0772242 0.41455
+2109 2 0.505498 0.0780058 0.45
+2122 1 0.651326 0.0701999 0.575227
+2123 2 0.627378 0.082856 0.562233
+2124 2 0.63504 0.058145 0.592492
+2125 1 0.549743 0.21829 0.661407
+2127 2 0.541386 0.192723 0.664955
+2130 2 0.597098 0.00277193 0.600074
+2134 1 0.516417 0.0301078 0.529966
+2135 2 0.508645 0.0385649 0.551069
+2136 2 0.527177 0.00554696 0.531997
+2239 1 0.531782 0.240053 0.528045
+2240 2 0.545237 0.216727 0.521752
+2241 2 0.544085 0.255651 0.51227
+2243 2 0.503638 0.251362 0.428854
+2245 1 0.582005 0.364434 0.384053
+2246 2 0.579807 0.339944 0.392248
+2247 2 0.553304 0.378051 0.391065
+2263 1 0.506069 0.0534933 0.595351
+2266 1 0.582355 0.259597 0.572454
+2267 2 0.561015 0.253077 0.555117
+2268 2 0.560669 0.268805 0.588656
+2269 1 0.562666 0.334427 0.509221
+2270 2 0.535601 0.335418 0.523525
+2271 2 0.583996 0.354014 0.515105
+2287 1 0.514963 0.26898 0.621747
+2288 2 0.503137 0.29326 0.626654
+2289 2 0.515667 0.251658 0.639496
+2293 1 0.503936 0.399607 0.615671
+2294 2 0.535129 0.407 0.607818
+2296 1 0.631935 0.260679 0.647656
+2297 2 0.655043 0.256334 0.630474
+2298 2 0.605035 0.249997 0.638476
+2404 1 0.51584 0.406792 0.406218
+2406 2 0.535952 0.425608 0.415756
+2407 1 0.633282 0.288879 0.361228
+2408 2 0.622291 0.274493 0.342319
+2409 2 0.626161 0.272513 0.379299
+2412 2 0.587656 0.373011 0.346027
+2413 1 0.599234 0.487508 0.355166
+2414 2 0.608205 0.465423 0.366506
+2415 2 0.563275 0.489694 0.35353
+2431 1 0.562337 0.41385 0.496941
+2432 2 0.540545 0.427295 0.510185
+2433 2 0.587073 0.40498 0.510577
+2434 1 0.565762 0.455944 0.441671
+2435 2 0.553649 0.479352 0.450879
+2436 2 0.564924 0.440589 0.460473
+2455 1 0.67193 0.424283 0.636687
+2456 2 0.67203 0.450819 0.634744
+2457 2 0.645779 0.417051 0.622886
+2463 2 0.517955 0.461429 0.659078
+2467 1 0.505423 0.19493 0.599824
+2468 2 0.538068 0.186492 0.605268
+2469 2 0.504506 0.220415 0.607046
+2656 1 0.553473 0.496419 0.656356
+2905 1 0.603755 0.0107481 0.359521
+2907 2 0.57492 0.022627 0.351501
+2917 1 0.564008 0.00458258 0.428116
+2918 2 0.545742 0.0271717 0.429329
+2934 2 0.507395 0.011879 0.378528
+2967 2 0.527061 0.00364648 0.663947
+3076 1 0.561587 0.210759 0.382508
+3077 2 0.566387 0.220978 0.403306
+3078 2 0.534029 0.218995 0.370372
+3079 1 0.674011 0.0599158 0.362098
+3080 2 0.704352 0.0475188 0.368727
+3081 2 0.649178 0.0443307 0.370007
+3082 1 0.82028 0.226356 0.417424
+3083 2 0.806182 0.249442 0.410177
+3084 2 0.846696 0.219975 0.402461
+3085 1 0.735674 0.115332 0.469453
+3086 2 0.74089 0.0898553 0.469312
+3087 2 0.703482 0.117899 0.478579
+3090 2 0.791744 0.0571478 0.338502
+3097 1 0.833327 0.0621043 0.537273
+3098 2 0.801563 0.0680509 0.529599
+3099 2 0.843582 0.0371977 0.534218
+3103 1 0.708409 0.155443 0.544378
+3104 2 0.684443 0.169605 0.555302
+3105 2 0.72669 0.147456 0.561848
+3106 1 0.886791 0.120269 0.473442
+3107 2 0.854509 0.128742 0.479183
+3108 2 0.902337 0.116268 0.493779
+3109 1 0.909805 0.106468 0.593677
+3110 2 0.909053 0.120309 0.6132
+3111 2 0.881553 0.0888656 0.595797
+3112 1 0.745113 0.00280621 0.38452
+3119 2 0.679153 0.0121073 0.514604
+3121 1 0.634957 0.188811 0.561809
+3122 2 0.615114 0.186572 0.5428
+3123 2 0.614218 0.201777 0.576533
+3124 1 0.585665 0.157187 0.608135
+3125 2 0.618132 0.15538 0.599104
+3126 2 0.589874 0.152424 0.630553
+3133 1 0.850503 0.0480829 0.602802
+3134 2 0.847911 0.0489694 0.625544
+3135 2 0.818573 0.0484948 0.593207
+3142 1 0.747996 0.133976 0.601093
+3143 2 0.773717 0.141196 0.615373
+3144 2 0.718363 0.138768 0.613091
+3244 1 0.598275 0.224577 0.442654
+3245 2 0.627222 0.233545 0.433264
+3246 2 0.586251 0.243603 0.456334
+3247 1 0.722653 0.308253 0.357326
+3248 2 0.690211 0.29735 0.355795
+3249 2 0.730754 0.313702 0.33571
+3250 1 0.75893 0.198925 0.373118
+3251 2 0.748719 0.192083 0.394523
+3252 2 0.72934 0.205718 0.362263
+3253 1 0.794706 0.430958 0.450975
+3254 2 0.780407 0.454447 0.447821
+3255 2 0.82451 0.434897 0.462248
+3256 1 0.65445 0.18006 0.367236
+3257 2 0.626674 0.196568 0.367066
+3258 2 0.671287 0.185189 0.347739
+3265 1 0.765725 0.365039 0.442916
+3266 2 0.734444 0.365744 0.432974
+3267 2 0.773991 0.391074 0.447652
+3268 1 0.664029 0.287494 0.554639
+3269 2 0.667176 0.275506 0.533724
+3270 2 0.629348 0.28282 0.559919
+3271 1 0.674186 0.261706 0.499885
+3272 2 0.694983 0.264473 0.482123
+3273 2 0.675657 0.235535 0.501685
+3274 1 0.770251 0.244309 0.538544
+3275 2 0.743122 0.256225 0.529509
+3276 2 0.798556 0.248722 0.526463
+3277 1 0.77927 0.291477 0.403359
+3278 2 0.759309 0.295201 0.384776
+3279 2 0.791537 0.314796 0.411669
+3280 1 0.670237 0.24972 0.409907
+3281 2 0.691397 0.260133 0.426089
+3282 2 0.685779 0.230654 0.398132
+3283 1 0.572638 0.129568 0.38955
+3284 2 0.601685 0.123543 0.401549
+3285 2 0.568045 0.155022 0.39747
+3286 1 0.591182 0.187083 0.507233
+3287 2 0.624846 0.19084 0.502663
+3288 2 0.584983 0.163695 0.498889
+3289 1 0.703426 0.26317 0.607648
+3290 2 0.696234 0.265848 0.585975
+3291 2 0.733145 0.249132 0.6079
+3298 1 0.771432 0.294061 0.646699
+3299 2 0.800182 0.295353 0.633769
+3300 2 0.744128 0.2975 0.631975
+3304 1 0.681346 0.143645 0.639146
+3305 2 0.651035 0.139463 0.649937
+3306 2 0.702183 0.154944 0.65559
+3307 1 0.583787 0.0862335 0.533677
+3308 2 0.554723 0.100405 0.53105
+3309 2 0.57432 0.0613486 0.531572
+3409 1 0.829073 0.476323 0.37036
+3410 2 0.833984 0.464072 0.350797
+3411 2 0.799368 0.467194 0.377551
+3414 2 0.665725 0.479625 0.401808
+3415 1 0.750537 0.490845 0.431468
+3417 2 0.728569 0.496232 0.414573
+3423 2 0.93109 0.479998 0.360087
+3430 1 0.690771 0.370625 0.402265
+3431 2 0.663779 0.36901 0.416414
+3432 2 0.68625 0.35103 0.387938
+3433 1 0.629498 0.397118 0.532604
+3434 2 0.655347 0.414483 0.529285
+3435 2 0.642938 0.382913 0.549363
+3436 1 0.644028 0.47821 0.536065
+3437 2 0.663769 0.467044 0.520517
+3438 2 0.620301 0.489766 0.524209
+3439 1 0.648623 0.359806 0.605345
+3440 2 0.639969 0.344935 0.623718
+3441 2 0.679667 0.348748 0.598743
+3442 1 0.679597 0.337034 0.479119
+3443 2 0.702656 0.3467 0.491805
+3444 2 0.682189 0.312763 0.483452
+3445 1 0.910976 0.487289 0.582227
+3446 2 0.882336 0.489909 0.569777
+3448 1 0.617282 0.379288 0.451039
+3449 2 0.593262 0.391095 0.463426
+3450 2 0.633402 0.361592 0.464063
+3451 1 0.58229 0.275517 0.482645
+3452 2 0.616357 0.275283 0.484284
+3453 2 0.570548 0.298703 0.491455
+3454 1 0.646628 0.439179 0.405003
+3455 2 0.656869 0.414514 0.400695
+3456 2 0.618882 0.437238 0.419034
+3457 1 0.601151 0.330382 0.656843
+3458 2 0.609099 0.305345 0.650934
+3459 2 0.566071 0.334317 0.652262
+3463 1 0.73149 0.368029 0.652712
+3465 2 0.714993 0.390949 0.646849
+3467 2 0.749032 0.490263 0.538542
+3472 1 0.511519 0.335663 0.643286
+3474 2 0.508412 0.354252 0.627612
+3475 1 0.593484 0.412733 0.596863
+3476 2 0.617605 0.392095 0.597127
+3477 2 0.591446 0.420576 0.575444
+3619 1 0.699321 0.441417 0.498137
+3620 2 0.732399 0.437666 0.506431
+3621 2 0.703822 0.444684 0.475941
+3640 1 0.658386 0.486143 0.59888
+3641 2 0.650425 0.480266 0.577123
+3642 2 0.627557 0.497108 0.606516
+3925 1 0.749278 0.136682 0.409281
+3926 2 0.717917 0.131694 0.400655
+3927 2 0.743284 0.1272 0.430008
+3940 1 0.705636 0.0196912 0.641554
+3941 2 0.720852 0.0346151 0.625556
+3949 1 0.653017 0.0290982 0.418633
+3950 2 0.622885 0.0161524 0.421384
+3951 2 0.645419 0.05426 0.423762
+3964 1 0.508112 0.11637 0.6282
+3965 2 0.532125 0.129315 0.615846
+3966 2 0.508766 0.0919725 0.619846
+4084 1 0.987326 0.0548184 0.460126
+4086 2 0.967886 0.0333876 0.455469
+4087 1 0.873546 0.0948948 0.415753
+4088 2 0.905271 0.104948 0.411809
+4089 2 0.870484 0.100397 0.437545
+4091 2 0.88564 0.097977 0.334267
+4092 2 0.85929 0.0616108 0.339814
+4093 1 0.955256 0.160443 0.434712
+4094 2 0.935547 0.167078 0.452585
+4095 2 0.984861 0.175486 0.437208
+4102 1 0.825667 0.137709 0.376075
+4103 2 0.793856 0.141906 0.38552
+4104 2 0.840294 0.120623 0.390795
+4105 1 0.855967 0.21642 0.660523
+4106 2 0.890034 0.209369 0.66015
+4107 2 0.851135 0.238304 0.649011
+4108 1 0.817925 0.157693 0.6383
+4109 2 0.841011 0.141371 0.646469
+4110 2 0.832083 0.180603 0.644769
+4111 1 0.912242 0.163693 0.551994
+4112 2 0.907661 0.139299 0.56071
+4113 2 0.898175 0.179403 0.567949
+4114 1 0.977912 0.0954601 0.398638
+4115 2 0.967565 0.0697349 0.39831
+4116 2 0.98389 0.100351 0.420218
+4117 1 0.921069 0.0337352 0.563263
+4118 2 0.901559 0.0351387 0.544905
+4119 2 0.8938 0.0383487 0.578055
+4126 1 0.864386 0.210434 0.587407
+4127 2 0.880319 0.229078 0.599734
+4128 2 0.831051 0.21732 0.590618
+4129 1 0.850554 0.0527034 0.662539
+4131 2 0.865249 0.077204 0.665669
+4144 1 0.809492 0.142484 0.500165
+4145 2 0.799835 0.13373 0.52141
+4146 2 0.783626 0.132634 0.48714
+4147 1 0.741637 0.0757484 0.527958
+4148 2 0.737543 0.0755277 0.550862
+4149 2 0.708856 0.0693447 0.518787
+4150 1 0.95143 0.00396656 0.614912
+4151 2 0.945619 0.0157274 0.594296
+4246 1 0.899301 0.154229 0.338567
+4247 2 0.920549 0.164928 0.353948
+4248 2 0.87127 0.147574 0.350837
+4254 2 0.833906 0.32997 0.339675
+4255 1 0.986227 0.256996 0.340629
+4256 2 0.979731 0.233258 0.348631
+4261 1 0.92093 0.324119 0.439804
+4262 2 0.932424 0.306398 0.45451
+4263 2 0.933223 0.314521 0.420279
+4269 2 0.80745 0.159611 0.337462
+4270 1 0.871373 0.303501 0.3585
+4271 2 0.898672 0.303294 0.372452
+4272 2 0.856962 0.280282 0.360683
+4273 1 0.841551 0.229367 0.356315
+4274 2 0.812829 0.216304 0.363468
+4275 2 0.867207 0.212547 0.36242
+4276 1 0.737539 0.331632 0.565857
+4277 2 0.746621 0.343212 0.546135
+4278 2 0.707092 0.318442 0.561691
+4279 1 0.948278 0.269269 0.476557
+4280 2 0.968963 0.272021 0.494319
+4281 2 0.927783 0.24891 0.48134
+4282 1 0.735542 0.265843 0.454205
+4283 2 0.761231 0.252558 0.465304
+4284 2 0.754428 0.276946 0.437537
+4285 1 0.778127 0.346649 0.515384
+4286 2 0.800755 0.36485 0.522972
+4287 2 0.795358 0.334384 0.498595
+4288 1 0.791049 0.206839 0.474515
+4289 2 0.809068 0.206383 0.454539
+4290 2 0.802032 0.185468 0.486231
+4291 1 0.81852 0.0387813 0.363961
+4292 2 0.795976 0.01763 0.364116
+4293 2 0.826134 0.0424318 0.385448
+4294 1 0.842417 0.262587 0.50052
+4295 2 0.832274 0.240678 0.488714
+4296 2 0.837521 0.286183 0.489752
+4297 1 0.839084 0.415798 0.654632
+4298 2 0.858715 0.435853 0.646744
+4299 2 0.819858 0.410135 0.636235
+4305 2 0.860411 0.32588 0.665929
+4306 1 0.801683 0.351529 0.612319
+4307 2 0.784389 0.361613 0.629794
+4308 2 0.777234 0.342948 0.59727
+4309 1 0.872949 0.368414 0.581107
+4310 2 0.899645 0.379212 0.592998
+4311 2 0.843821 0.37054 0.59416
+4312 1 0.854499 0.286725 0.616401
+4313 2 0.888595 0.293586 0.619866
+4314 2 0.839915 0.30496 0.602843
+4315 1 0.775278 0.22203 0.595065
+4316 2 0.772065 0.230717 0.5732
+4317 2 0.774456 0.195844 0.593803
+4319 2 0.771347 0.162576 0.660186
+4337 2 0.927896 0.122026 0.665105
+4418 2 0.759526 0.41295 0.340576
+4432 1 0.951389 0.302025 0.389051
+4433 2 0.964408 0.302027 0.367973
+4434 2 0.95956 0.278406 0.39661
+4438 1 0.849797 0.37882 0.390153
+4439 2 0.861449 0.399985 0.400092
+4440 2 0.876585 0.36663 0.382033
+4441 1 0.958097 0.436863 0.379119
+4442 2 0.991785 0.441773 0.381215
+4443 2 0.945414 0.446677 0.398585
+4453 1 0.921579 0.434344 0.510254
+4454 2 0.936662 0.423468 0.528589
+4455 2 0.910589 0.412766 0.498691
+4456 1 0.817346 0.320398 0.467986
+4457 2 0.794973 0.337863 0.45803
+4458 2 0.844922 0.317011 0.453558
+4459 1 0.776891 0.415007 0.378121
+4460 2 0.753723 0.415547 0.394808
+4461 2 0.79825 0.394358 0.383304
+4462 1 0.781761 0.45392 0.528598
+4463 2 0.801791 0.473377 0.522813
+4464 2 0.791437 0.444072 0.54778
+4468 1 0.8679 0.480518 0.638098
+4469 2 0.88397 0.486784 0.619003
+4470 2 0.842095 0.497641 0.641548
+4474 1 0.978181 0.403161 0.554058
+4475 2 0.993526 0.379337 0.553405
+4476 2 0.9644 0.405231 0.57459
+4480 1 0.900745 0.369321 0.490328
+4481 2 0.904106 0.352709 0.472883
+4482 2 0.910035 0.355153 0.50885
+4483 1 0.768063 0.437836 0.592502
+4484 2 0.739869 0.437351 0.605686
+4485 2 0.780532 0.461316 0.59408
+4486 1 0.929099 0.423161 0.604556
+4487 2 0.959113 0.426648 0.616197
+4488 2 0.919763 0.447797 0.59725
+4608 2 0.934667 0.421108 0.342865
+4615 1 0.942265 0.481736 0.433096
+4616 2 0.959339 0.462846 0.445576
+4624 1 0.993149 0.431257 0.466312
+4625 2 0.984245 0.43417 0.487851
+4630 1 0.889709 0.493157 0.483262
+4631 2 0.902474 0.476057 0.499283
+4632 2 0.910674 0.48794 0.465415
+4930 1 0.955402 0.0336521 0.337143
+4932 2 0.926593 0.0485929 0.334843
+4933 1 0.958252 0.0242575 0.398122
+4934 2 0.958432 0.0134011 0.3763
+4935 2 0.971351 0.00308885 0.410056
+4948 1 0.738089 0.034652 0.453803
+4949 2 0.73728 0.00779486 0.452835
+4950 2 0.707159 0.0406555 0.444778
+4957 1 0.872584 0.0260247 0.427104
+4958 2 0.864837 0.0512835 0.424653
+4959 2 0.903838 0.0239941 0.417003
+4969 1 0.923847 0.00111915 0.477117
+4971 2 0.90091 0.00901072 0.461531
+4972 1 0.740587 0.0612505 0.595385
+4973 2 0.704949 0.0610901 0.59236
+4974 2 0.751719 0.0879088 0.59724
+4999 1 0.973261 0.0670574 0.646643
+5000 2 0.991199 0.074745 0.628125
+5001 2 0.959724 0.0427092 0.643811
+100 1 0.922868 0.0659605 0.727043
+101 2 0.919523 0.0823943 0.744891
+102 2 0.926172 0.0429184 0.737334
+126 2 0.974189 0.106565 0.785565
+309 2 0.956152 0.19018 0.680097
+310 1 0.962271 0.242703 0.859009
+311 2 0.931845 0.23107 0.863923
+312 2 0.986784 0.226852 0.868018
+316 1 0.940232 0.219783 0.924115
+317 2 0.905335 0.224235 0.928889
+318 2 0.939413 0.200261 0.90955
+437 2 0.961657 0.395358 0.678017
+460 1 0.948089 0.465611 0.836518
+461 2 0.937898 0.485608 0.85092
+462 2 0.981278 0.45991 0.84227
+485 2 0.993804 0.428678 0.92928
+486 2 0.990472 0.472086 0.931498
+492 2 0.983648 0.376507 0.937864
+499 1 0.988021 0.312211 0.886496
+500 2 0.993053 0.288693 0.876815
+501 2 0.952516 0.313915 0.885516
+503 2 0.983654 0.251003 0.931335
+643 1 0.994144 0.408254 0.749638
+644 2 0.971047 0.419881 0.737307
+667 1 0.93591 0.389528 0.870151
+668 2 0.918638 0.410625 0.877822
+669 2 0.958454 0.400843 0.856325
+1334 2 0.502768 0.350462 0.949416
+1501 1 0.518386 0.492124 0.949668
+1502 2 0.522406 0.496068 0.971337
+2017 1 0.502484 0.178443 0.91134
+2019 2 0.533234 0.19105 0.912567
+2033 2 0.502097 0.0321848 0.991689
+2036 2 0.558731 0.00523121 0.887664
+2126 2 0.560547 0.225528 0.682146
+2137 1 0.511119 0.162244 0.69792
+2138 2 0.521406 0.174773 0.717527
+2146 1 0.53982 0.0886814 0.736887
+2147 2 0.549675 0.0634564 0.738452
+2148 2 0.5517 0.0969638 0.717032
+2149 1 0.583081 0.15486 0.875203
+2150 2 0.571908 0.140811 0.892827
+2151 2 0.569394 0.140242 0.858467
+2167 1 0.557807 0.10429 0.919677
+2168 2 0.557951 0.0788157 0.924896
+2169 2 0.525511 0.110093 0.924899
+2170 1 0.799729 0.0926045 0.88709
+2171 2 0.785685 0.0870447 0.866528
+2172 2 0.782109 0.113002 0.895335
+2182 1 0.589068 0.0263687 0.860796
+2183 2 0.58514 0.0281603 0.838464
+2184 2 0.621956 0.0324131 0.865173
+2201 2 0.575769 0.23311 0.997636
+2314 1 0.524753 0.219288 0.744213
+2315 2 0.556663 0.230352 0.744402
+2316 2 0.521366 0.210932 0.765466
+2318 2 0.520923 0.299453 0.787797
+2322 2 0.50387 0.113977 0.754997
+2332 1 0.552368 0.282051 0.920292
+2333 2 0.556778 0.255472 0.917739
+2334 2 0.527017 0.287188 0.905671
+2338 1 0.846251 0.235498 0.921541
+2339 2 0.829266 0.212445 0.918039
+2340 2 0.825136 0.256553 0.917038
+2341 1 0.679233 0.286094 0.992101
+2342 2 0.713967 0.287858 0.984298
+2343 2 0.663912 0.277756 0.972604
+2346 2 0.501789 0.30876 0.864857
+2473 1 0.557718 0.476044 0.766525
+2474 2 0.554933 0.495188 0.78297
+2475 2 0.587042 0.482951 0.756194
+2476 1 0.611345 0.446599 0.869026
+2477 2 0.591059 0.429326 0.880204
+2478 2 0.614998 0.46792 0.880974
+2479 1 0.686354 0.419966 0.829832
+2480 2 0.678404 0.442641 0.840237
+2481 2 0.691933 0.426747 0.807948
+2482 1 0.644404 0.303523 0.773978
+2483 2 0.62754 0.323804 0.763467
+2484 2 0.678097 0.308384 0.769843
+2485 1 0.55138 0.428924 0.817338
+2486 2 0.577864 0.437629 0.830215
+2487 2 0.553086 0.441888 0.797699
+2488 1 0.520168 0.330185 0.745421
+2489 2 0.5066 0.311622 0.732094
+2497 1 0.550317 0.417296 0.907368
+2498 2 0.522925 0.426807 0.917107
+2499 2 0.553634 0.391278 0.915348
+2512 1 0.600238 0.331617 0.868981
+2513 2 0.592501 0.338342 0.84707
+2514 2 0.62736 0.348564 0.872241
+2518 1 0.635546 0.433184 0.930718
+2519 2 0.617673 0.448912 0.944629
+2520 2 0.611497 0.41452 0.925351
+2624 2 0.653201 0.481681 0.733547
+2657 2 0.583407 0.499356 0.668221
+2663 2 0.726204 0.497975 0.783309
+2688 2 0.547159 0.499064 0.912651
+2965 1 0.528683 0.0286169 0.672063
+2966 2 0.542407 0.0270468 0.693103
+3043 1 0.556836 0.0369173 0.944515
+3044 2 0.548548 0.015804 0.932323
+3045 2 0.555192 0.0256895 0.964666
+3127 1 0.762195 0.0365143 0.690556
+3128 2 0.743061 0.0269832 0.673442
+3129 2 0.796632 0.0348022 0.684881
+3145 1 0.833254 0.0203439 0.771634
+3146 2 0.800117 0.0128047 0.77626
+3147 2 0.851614 0.000936018 0.781782
+3148 1 0.67754 0.137092 0.863388
+3149 2 0.645021 0.137295 0.871641
+3150 2 0.686135 0.161419 0.856123
+3157 1 0.908408 0.0994648 0.78081
+3158 2 0.876187 0.109514 0.781483
+3159 2 0.912462 0.0890286 0.801381
+3160 1 0.577014 0.0147256 0.740841
+3161 2 0.544171 0.00757956 0.737136
+3166 1 0.674001 0.0637372 0.85355
+3167 2 0.709143 0.0620463 0.853116
+3168 2 0.670105 0.0897672 0.851465
+3169 1 0.77435 0.0663202 0.834843
+3170 2 0.799243 0.0600403 0.819782
+3171 2 0.767079 0.0434072 0.846108
+3172 1 0.622262 0.139244 0.9634
+3173 2 0.604114 0.121799 0.950886
+3174 2 0.621516 0.131028 0.985177
+3175 1 0.731005 0.13188 0.970747
+3176 2 0.743467 0.106866 0.967616
+3177 2 0.699945 0.127082 0.979961
+3181 1 0.777944 0.162374 0.921761
+3182 2 0.757994 0.180615 0.912543
+3183 2 0.760983 0.154517 0.940592
+3184 1 0.868658 0.047843 0.892809
+3185 2 0.83932 0.0618903 0.888492
+3186 2 0.884215 0.0629337 0.908117
+3187 1 0.559651 0.0983659 0.837531
+3188 2 0.576745 0.0775332 0.845912
+3189 2 0.564513 0.095436 0.814986
+3190 1 0.752596 0.0685092 0.958897
+3191 2 0.743306 0.0623696 0.937377
+3192 2 0.749008 0.0464347 0.971675
+3210 2 0.763693 0.193733 0.992829
+3211 1 0.683894 0.19643 0.991987
+3212 2 0.674415 0.171614 0.998108
+3292 1 0.676084 0.270844 0.705904
+3293 2 0.659033 0.267264 0.685826
+3294 2 0.705959 0.258401 0.699269
+3295 1 0.647291 0.0984433 0.729459
+3296 2 0.63186 0.114739 0.744712
+3297 2 0.63085 0.075132 0.729896
+3301 1 0.818995 0.315642 0.739003
+3302 2 0.846118 0.313123 0.751853
+3303 2 0.833256 0.319355 0.718872
+3310 1 0.598776 0.145684 0.66851
+3311 2 0.565266 0.143267 0.677489
+3312 2 0.61457 0.163562 0.682428
+3313 1 0.758538 0.242221 0.692681
+3314 2 0.760276 0.26 0.675673
+3315 2 0.752268 0.217813 0.684508
+3316 1 0.606561 0.269859 0.831356
+3317 2 0.600929 0.285741 0.848201
+3318 2 0.603769 0.284677 0.812264
+3319 1 0.888314 0.155095 0.727139
+3320 2 0.872862 0.174961 0.736778
+3321 2 0.866973 0.135782 0.734852
+3322 1 0.512478 0.21622 0.812123
+3323 2 0.501803 0.240318 0.804649
+3324 2 0.535204 0.221064 0.828341
+3325 1 0.798092 0.325714 0.862935
+3326 2 0.766422 0.325669 0.853402
+3327 2 0.817209 0.311331 0.847545
+3328 1 0.71455 0.124155 0.808763
+3329 2 0.736386 0.103765 0.807491
+3330 2 0.711027 0.128606 0.830638
+3331 1 0.634745 0.184436 0.714626
+3332 2 0.658409 0.172775 0.72949
+3333 2 0.627072 0.2077 0.725056
+3334 1 0.577539 0.215737 0.913106
+3335 2 0.583289 0.201658 0.894272
+3336 2 0.608667 0.210826 0.924009
+3337 1 0.671832 0.371392 0.879159
+3338 2 0.674003 0.395191 0.869031
+3339 2 0.688644 0.355784 0.864436
+3343 1 0.882488 0.298111 0.953574
+3344 2 0.90421 0.281627 0.965546
+3345 2 0.877978 0.287902 0.932517
+3346 1 0.848835 0.198607 0.77173
+3347 2 0.83976 0.199207 0.793528
+3348 2 0.865506 0.221069 0.770981
+3349 1 0.640521 0.288004 0.935937
+3350 2 0.60626 0.287749 0.930823
+3351 2 0.660985 0.273266 0.922181
+3352 1 0.656319 0.216441 0.853902
+3353 2 0.637486 0.238371 0.84715
+3354 2 0.631902 0.19698 0.856045
+3355 1 0.659382 0.196848 0.938044
+3356 2 0.643038 0.17391 0.943656
+3357 2 0.675185 0.199855 0.957833
+3358 1 0.696307 0.249769 0.903337
+3359 2 0.686635 0.244044 0.881133
+3360 2 0.68421 0.227479 0.914559
+3376 1 0.771341 0.284869 0.98299
+3377 2 0.800443 0.274668 0.992977
+3378 2 0.775933 0.283894 0.959852
+3464 2 0.740843 0.368662 0.674584
+3478 1 0.631335 0.392123 0.686645
+3479 2 0.621834 0.36799 0.679043
+3480 2 0.641476 0.403228 0.667474
+3481 1 0.608996 0.358974 0.744202
+3482 2 0.614552 0.37452 0.725948
+3483 2 0.578799 0.346 0.739319
+3484 1 0.717044 0.448537 0.778932
+3485 2 0.74888 0.43808 0.777112
+3486 2 0.702239 0.439208 0.76085
+3487 1 0.713971 0.343495 0.830881
+3488 2 0.705532 0.358595 0.81303
+3489 2 0.713735 0.318242 0.822607
+3490 1 0.802071 0.427269 0.779679
+3491 2 0.799256 0.413904 0.799495
+3492 2 0.822034 0.411008 0.76753
+3493 1 0.680325 0.445791 0.7221
+3494 2 0.669746 0.424475 0.710112
+3495 2 0.704773 0.457926 0.708851
+3496 1 0.731449 0.290459 0.755339
+3497 2 0.723885 0.269736 0.742406
+3498 2 0.757616 0.303057 0.744899
+3499 1 0.61385 0.243399 0.748029
+3500 2 0.638093 0.252668 0.7345
+3501 2 0.617314 0.261655 0.765026
+3502 1 0.741776 0.278315 0.814068
+3503 2 0.751745 0.28479 0.792951
+3504 2 0.724106 0.255772 0.812991
+3505 1 0.712759 0.496344 0.849605
+3506 2 0.742748 0.485686 0.845435
+3511 1 0.68413 0.362646 0.940229
+3512 2 0.677854 0.337019 0.937044
+3513 2 0.683549 0.373869 0.919278
+3514 1 0.684678 0.405909 0.989533
+3515 2 0.668845 0.428647 0.983882
+3516 2 0.685207 0.390005 0.971358
+3520 1 0.570229 0.358438 0.931792
+3521 2 0.598596 0.355076 0.945087
+3522 2 0.575567 0.341783 0.913623
+3523 1 0.594258 0.349613 0.812909
+3524 2 0.62159 0.362897 0.802464
+3525 2 0.566665 0.365376 0.809444
+3528 2 0.69156 0.479271 0.942025
+3547 1 0.636548 0.477262 0.998786
+3549 2 0.656353 0.489751 0.982833
+3658 1 0.929476 0.481085 0.757697
+3659 2 0.94962 0.477198 0.739617
+3660 2 0.92256 0.458063 0.767743
+3693 2 0.874014 0.497105 0.736631
+3973 1 0.743653 0.105506 0.704743
+3974 2 0.745994 0.0801102 0.698417
+3975 2 0.710633 0.108538 0.712221
+3988 1 0.747323 0.00566623 0.862359
+3990 2 0.720381 0.00983046 0.876851
+3991 1 0.561881 0.0284785 0.79995
+3992 2 0.577853 0.02472 0.780223
+3993 2 0.536058 0.0103922 0.801071
+3997 1 0.699617 0.0165049 0.733865
+3998 2 0.720195 0.0239369 0.75027
+3999 2 0.719373 0.0225788 0.715965
+4012 1 0.640992 0.0429524 0.966627
+4013 2 0.607831 0.0405476 0.957985
+4014 2 0.640639 0.0391099 0.988787
+4015 1 0.695465 0.0224512 0.917047
+4017 2 0.674859 0.0362605 0.93061
+4051 1 0.774065 0.00528023 0.990421
+4052 2 0.804497 0.00464086 0.979453
+4130 2 0.863594 0.035938 0.67794
+4132 1 0.856516 0.00654883 0.709354
+4134 2 0.846145 0.0120022 0.730046
+4141 1 0.988731 0.107604 0.699476
+4142 2 0.96125 0.0947146 0.70955
+4156 1 0.908828 0.0767977 0.838476
+4157 2 0.894714 0.0577574 0.85049
+4158 2 0.929539 0.0888485 0.852878
+4177 1 0.902887 0.180926 0.868905
+4178 2 0.88362 0.17059 0.885223
+4179 2 0.922532 0.160678 0.861631
+4180 1 0.865317 0.155244 0.917779
+4181 2 0.830044 0.153521 0.917257
+4182 2 0.873919 0.16169 0.93969
+4183 1 0.909068 0.0951457 0.930756
+4184 2 0.89741 0.0792535 0.946984
+4185 2 0.885549 0.113587 0.926983
+4186 1 0.896324 0.0503989 0.976309
+4187 2 0.92009 0.0656135 0.987643
+4188 2 0.866049 0.0622943 0.9833
+4189 1 0.962898 0.11497 0.878876
+4190 2 0.9481 0.11571 0.899525
+4191 2 0.996655 0.118865 0.882836
+4192 1 0.822957 0.0792523 0.99892
+4193 2 0.796446 0.075878 0.9841
+4196 2 0.875153 0.015512 0.960534
+4210 1 0.987643 0.15308 0.968451
+4211 2 0.977852 0.128763 0.976034
+4212 2 0.958504 0.164926 0.961378
+4219 1 0.888866 0.176378 0.975994
+4220 2 0.896554 0.172436 0.99734
+4221 2 0.869343 0.198156 0.976299
+4300 1 0.854957 0.248929 0.7203
+4301 2 0.850427 0.228801 0.706145
+4302 2 0.822985 0.259209 0.721348
+4303 1 0.836705 0.326782 0.681878
+4304 2 0.810301 0.312506 0.675086
+4318 1 0.744318 0.168865 0.67398
+4320 2 0.751252 0.153109 0.692104
+4321 1 0.696922 0.170838 0.761226
+4322 2 0.729186 0.179533 0.755084
+4323 2 0.704851 0.155437 0.779616
+4324 1 0.924451 0.314161 0.751948
+4325 2 0.954071 0.326854 0.755004
+4326 2 0.927069 0.291469 0.762247
+4336 1 0.892751 0.123828 0.668213
+4338 2 0.885654 0.134163 0.688763
+4339 1 0.827806 0.10394 0.733395
+4340 2 0.836469 0.0790782 0.731165
+4341 2 0.795908 0.107647 0.726285
+4342 1 0.984313 0.0200057 0.756491
+4343 2 0.992463 0.0196665 0.778623
+4345 1 0.85071 0.291662 0.824749
+4346 2 0.881275 0.280477 0.820562
+4347 2 0.827035 0.274855 0.81632
+4360 1 0.970684 0.180258 0.71627
+4361 2 0.93765 0.173364 0.72182
+4362 2 0.987149 0.156968 0.718935
+4363 1 0.926609 0.278913 0.695765
+4364 2 0.894242 0.271574 0.704719
+4365 2 0.944313 0.289208 0.713951
+4366 1 0.824803 0.205303 0.831386
+4367 2 0.847804 0.192743 0.844832
+4368 2 0.796484 0.210374 0.84387
+4371 2 0.923446 0.492335 0.955468
+4372 1 0.800432 0.478038 0.92486
+4373 2 0.767821 0.468879 0.920408
+4374 2 0.816127 0.454919 0.92147
+4381 1 0.887348 0.459707 0.970843
+4382 2 0.886494 0.451627 0.993271
+4383 2 0.852726 0.46587 0.966511
+4384 1 0.961975 0.343224 0.994348
+4386 2 0.946851 0.355081 0.976218
+4477 1 0.811909 0.430223 0.707096
+4478 2 0.837826 0.42873 0.721646
+4479 2 0.828142 0.424454 0.686588
+4489 1 0.761691 0.368981 0.717306
+4490 2 0.778845 0.391103 0.711687
+4491 2 0.78858 0.357698 0.727648
+4492 1 0.906561 0.426686 0.797323
+4493 2 0.919157 0.443165 0.812762
+4494 2 0.902486 0.403954 0.808557
+4495 1 0.879086 0.353884 0.806965
+4496 2 0.91196 0.34447 0.802588
+4497 2 0.865797 0.331268 0.816011
+4498 1 0.989883 0.347205 0.790803
+4500 2 0.986672 0.368056 0.776491
+4501 1 0.9466 0.255417 0.795248
+4502 2 0.955246 0.253075 0.817481
+4503 2 0.973509 0.246549 0.78331
+4504 1 0.908946 0.387595 0.69572
+4505 2 0.885007 0.384013 0.67932
+4506 2 0.893673 0.377531 0.714247
+4507 1 0.689325 0.376735 0.766693
+4508 2 0.658073 0.369215 0.758029
+4509 2 0.710779 0.374731 0.749014
+4510 1 0.810003 0.401822 0.911654
+4511 2 0.824544 0.389865 0.929417
+4512 2 0.832826 0.399258 0.894903
+4513 1 0.723799 0.437307 0.913907
+4514 2 0.741874 0.414924 0.912708
+4515 2 0.691137 0.430266 0.919932
+4516 1 0.854693 0.372642 0.957708
+4517 2 0.851135 0.376573 0.979988
+4518 2 0.8596 0.346117 0.956519
+4519 1 0.937558 0.405227 0.955649
+4520 2 0.906026 0.395782 0.953343
+4521 2 0.930017 0.429946 0.962911
+4525 1 0.897134 0.443417 0.900854
+4526 2 0.898756 0.428298 0.919043
+4527 2 0.893469 0.467296 0.908214
+4528 1 0.778644 0.282958 0.915839
+4529 2 0.77927 0.305344 0.902791
+4530 2 0.745401 0.271738 0.911467
+4531 1 0.8699 0.382858 0.753969
+4532 2 0.869221 0.367561 0.772496
+4533 2 0.891137 0.402113 0.760484
+4534 1 0.902164 0.322239 0.880563
+4535 2 0.914372 0.3459 0.87585
+4536 2 0.868994 0.321933 0.873742
+4675 1 0.748392 0.480857 0.690429
+4676 2 0.758672 0.491087 0.670381
+4677 2 0.771245 0.462877 0.698175
+4678 1 0.963686 0.466025 0.699192
+4679 2 0.947458 0.485609 0.689166
+4680 2 0.960741 0.446173 0.684516
+4696 1 0.797242 0.474886 0.828877
+4697 2 0.801079 0.451962 0.839373
+4698 2 0.793678 0.470754 0.806894
+4699 1 0.785635 0.395714 0.831566
+4700 2 0.793209 0.369541 0.834176
+4701 2 0.749807 0.398678 0.835742
+5031 2 0.887697 0.00216063 0.8944
+1 1 0.96737 0.92778 0.0153003
+2 2 0.959622 0.9539 0.0191373
+3 2 0.946346 0.913792 0.0290438
+40 1 0.951934 0.97916 0.206729
+41 2 0.927293 0.997969 0.208161
+42 2 0.969409 0.976384 0.226282
+152 2 0.98302 0.998581 0.0813189
+570 2 0.995522 0.612648 0.203149
+571 1 0.883382 0.534173 0.30005
+572 2 0.865728 0.515178 0.288325
+573 2 0.908861 0.545368 0.286796
+700 1 0.974637 0.787591 0.175984
+702 2 0.969132 0.810227 0.165623
+712 1 0.935755 0.728396 0.0718086
+713 2 0.944178 0.740273 0.0909593
+714 2 0.927705 0.703634 0.078038
+715 1 0.815069 0.722346 0.111312
+716 2 0.831896 0.740572 0.124281
+717 2 0.807855 0.703549 0.126822
+718 1 0.87532 0.655266 0.142563
+719 2 0.86286 0.631144 0.146069
+720 2 0.910261 0.651214 0.144326
+742 1 0.993293 0.968203 0.31833
+743 2 0.980684 0.988968 0.328582
+846 2 0.977746 0.997269 0.169612
+883 1 0.959303 0.75778 0.123842
+884 2 0.928626 0.755506 0.135346
+885 2 0.973146 0.775687 0.137601
+1544 2 0.503783 0.508286 0.26677
+1729 1 0.50513 0.750581 0.29696
+1730 2 0.526468 0.75101 0.315124
+2049 2 0.521643 0.983365 0.145225
+2360 2 0.701079 0.515225 0.141705
+2365 1 0.514297 0.58492 0.195339
+2367 2 0.501015 0.57016 0.177277
+2383 1 0.613997 0.519979 0.167493
+2385 2 0.613359 0.524813 0.189927
+2389 1 0.580419 0.595011 0.240643
+2390 2 0.603499 0.578599 0.230735
+2391 2 0.555011 0.598052 0.226064
+2521 1 0.576843 0.60248 0.0629174
+2522 2 0.548012 0.617391 0.0653846
+2523 2 0.605788 0.616176 0.0674585
+2524 1 0.545497 0.664332 0.122934
+2525 2 0.55036 0.681776 0.106424
+2526 2 0.510885 0.662306 0.125392
+2527 1 0.582683 0.617513 0.162775
+2528 2 0.555573 0.604598 0.17298
+2529 2 0.567034 0.637403 0.150792
+2533 1 0.650443 0.649342 0.0678112
+2534 2 0.633646 0.671808 0.0732328
+2535 2 0.65587 0.650851 0.0452222
+2536 1 0.554269 0.518033 0.0389943
+2537 2 0.556943 0.52809 0.0593291
+2538 2 0.531364 0.531353 0.0271581
+2554 1 0.720448 0.661646 0.20201
+2555 2 0.698544 0.678051 0.213297
+2556 2 0.713885 0.637108 0.206862
+2557 1 0.515022 0.606294 0.283506
+2558 2 0.544548 0.602836 0.271139
+2559 2 0.509892 0.632636 0.283093
+2561 2 0.612181 0.509263 0.277409
+2568 2 0.526851 0.511171 0.218303
+2578 1 0.61402 0.548008 0.295861
+2579 2 0.611432 0.569239 0.281378
+2580 2 0.610883 0.559257 0.31654
+2671 1 0.559027 0.546313 0.0949496
+2672 2 0.562726 0.566725 0.0803022
+2673 2 0.584801 0.553834 0.108356
+2695 1 0.601213 0.709094 0.0706571
+2696 2 0.58923 0.707917 0.0491226
+2697 2 0.614521 0.733517 0.0700367
+2698 1 0.599384 0.86312 0.141046
+2699 2 0.593415 0.879086 0.123724
+2700 2 0.594375 0.838654 0.133421
+2701 1 0.523247 0.795982 0.199008
+2702 2 0.540492 0.819128 0.201158
+2703 2 0.546942 0.777783 0.192206
+2704 1 0.520462 0.618469 0.00260227
+2706 2 0.518367 0.628431 0.0230569
+2713 1 0.6254 0.855308 0.222923
+2714 2 0.649777 0.868311 0.209857
+2715 2 0.624658 0.864168 0.2443
+2716 1 0.529488 0.984207 0.284705
+2717 2 0.560348 0.981037 0.295017
+2718 2 0.54136 0.973336 0.264601
+2719 1 0.635079 0.794808 0.188459
+2720 2 0.631822 0.818862 0.197173
+2721 2 0.65089 0.782657 0.205284
+2722 1 0.555412 0.793127 0.116639
+2723 2 0.560266 0.775454 0.133599
+2724 2 0.581378 0.789213 0.102464
+2725 1 0.544964 0.862876 0.193178
+2726 2 0.561286 0.867353 0.173397
+2727 2 0.574632 0.859653 0.204978
+2728 1 0.528531 0.671513 0.204332
+2729 2 0.56257 0.667952 0.199087
+2730 2 0.531961 0.691384 0.220481
+2731 1 0.554682 0.736955 0.157022
+2732 2 0.547248 0.711264 0.152728
+2733 2 0.58869 0.735522 0.162135
+2734 1 0.531196 0.726713 0.24002
+2735 2 0.537279 0.752085 0.236001
+2736 2 0.512891 0.726709 0.258509
+2737 1 0.614264 0.72568 0.290564
+2738 2 0.646198 0.733419 0.294891
+2739 2 0.59943 0.74839 0.285607
+2746 1 0.728205 0.818706 0.273238
+2747 2 0.721361 0.829981 0.252743
+2748 2 0.755196 0.831124 0.282151
+2752 1 0.6331 0.642011 0.321808
+2753 2 0.646715 0.636778 0.30115
+2754 2 0.601498 0.630668 0.324271
+2755 1 0.535307 0.680518 0.301052
+2756 2 0.5644 0.692093 0.292267
+2757 2 0.544756 0.665262 0.318684
+2845 1 0.574852 0.704883 0.00762792
+2847 2 0.539198 0.708037 0.00928093
+2857 1 0.543556 0.88576 0.0907277
+2858 2 0.536705 0.861222 0.0844488
+2859 2 0.511182 0.897233 0.0923665
+2866 1 0.587715 0.94974 0.0699211
+2867 2 0.574256 0.92998 0.0828328
+2868 2 0.622937 0.944572 0.0720284
+2870 2 0.57492 0.990869 0.0782436
+2872 1 0.566896 0.853226 0.0305695
+2873 2 0.560006 0.874155 0.0449468
+2874 2 0.541641 0.856275 0.0151203
+2881 1 0.58405 0.941791 0.187533
+2882 2 0.558473 0.934829 0.172515
+2883 2 0.603512 0.95881 0.175596
+2885 2 0.651339 0.98413 0.231275
+2886 2 0.600005 0.999912 0.224228
+2887 1 0.660796 0.954372 0.261868
+2888 2 0.693478 0.949997 0.269054
+2889 2 0.645226 0.971756 0.276911
+2898 2 0.50265 0.883617 0.19782
+2899 1 0.509272 0.933321 0.15205
+2904 2 0.511662 0.982561 0.219998
+2916 2 0.742952 0.998871 0.271749
+2920 1 0.580185 0.794841 0.276384
+2921 2 0.588932 0.819674 0.27039
+2922 2 0.548084 0.795924 0.284819
+2923 1 0.574191 0.938572 0.248543
+2924 2 0.576162 0.937328 0.225301
+2925 2 0.608293 0.937287 0.253061
+2926 1 0.544935 0.906869 0.303072
+2927 2 0.54967 0.919132 0.283272
+2928 2 0.512054 0.899458 0.303084
+3013 1 0.556423 0.930193 0.0187955
+3014 2 0.559973 0.941272 0.0395707
+3015 2 0.586635 0.937831 0.00867058
+3064 1 0.770254 0.965826 0.101438
+3065 2 0.76158 0.982246 0.0849636
+3066 2 0.766364 0.941609 0.0938784
+3091 1 0.832951 0.966556 0.237178
+3092 2 0.842875 0.981109 0.255559
+3093 2 0.820079 0.98618 0.223868
+3364 1 0.692026 0.562193 0.0166394
+3365 2 0.685733 0.572801 0.037235
+3366 2 0.659208 0.565027 0.00849439
+3388 1 0.706085 0.592622 0.218216
+3389 2 0.683683 0.57346 0.213656
+3390 2 0.737008 0.582015 0.222647
+3529 1 0.819961 0.695263 0.0534099
+3530 2 0.828688 0.719063 0.0437583
+3531 2 0.817769 0.699666 0.0754549
+3532 1 0.64665 0.654722 0.134425
+3533 2 0.623955 0.638277 0.14516
+3534 2 0.638622 0.655237 0.112454
+3541 1 0.773449 0.553453 0.0743855
+3542 2 0.766002 0.534315 0.0590182
+3543 2 0.743832 0.567373 0.0796865
+3544 1 0.7623 0.511153 0.01705
+3545 2 0.790836 0.513998 0.0042068
+3546 2 0.739642 0.530403 0.0108325
+3550 1 0.687223 0.585122 0.0759311
+3551 2 0.68734 0.611619 0.0746436
+3552 2 0.665984 0.576727 0.0925005
+3553 1 0.741467 0.532213 0.178148
+3554 2 0.723309 0.522667 0.195752
+3555 2 0.776121 0.526339 0.181998
+3556 1 0.831414 0.655094 0.295999
+3557 2 0.805244 0.644173 0.308615
+3558 2 0.814723 0.677522 0.290672
+3559 1 0.744484 0.643925 0.312298
+3560 2 0.724289 0.638531 0.293721
+3561 2 0.726048 0.663256 0.321562
+3562 1 0.825123 0.514936 0.193123
+3563 2 0.853713 0.515799 0.205955
+3565 1 0.646821 0.68788 0.236136
+3566 2 0.648464 0.714584 0.234494
+3567 2 0.622426 0.685841 0.252619
+3568 1 0.724433 0.520724 0.280384
+3569 2 0.743506 0.535676 0.265939
+3570 2 0.724664 0.535255 0.299553
+3571 1 0.632964 0.568973 0.126639
+3572 2 0.617393 0.588486 0.138451
+3573 2 0.628413 0.54632 0.139049
+3574 1 0.786874 0.558252 0.246842
+3575 2 0.802696 0.554318 0.226537
+3576 2 0.812434 0.571812 0.258574
+3595 1 0.635356 0.536418 0.22853
+3596 2 0.616699 0.522704 0.244454
+3597 2 0.66435 0.52167 0.225917
+3685 1 0.65341 0.657845 0.00968837
+3686 2 0.687063 0.659754 0.00209011
+3687 2 0.639939 0.68203 0.00481473
+3697 1 0.579963 0.778772 0.0249781
+3698 2 0.547218 0.771133 0.0252585
+3699 2 0.578876 0.804788 0.0259915
+3700 1 0.72021 0.82787 0.0930231
+3701 2 0.69743 0.811981 0.104554
+3702 2 0.752424 0.817344 0.094635
+3703 1 0.853567 0.847855 0.0332319
+3704 2 0.874118 0.838692 0.0171066
+3705 2 0.870205 0.868973 0.041401
+3706 1 0.893549 0.651012 0.0864672
+3707 2 0.865874 0.661382 0.0755898
+3708 2 0.885838 0.652303 0.109435
+3709 1 0.703539 0.801005 0.0334718
+3710 2 0.712626 0.810684 0.0536171
+3711 2 0.673197 0.812029 0.0274104
+3712 1 0.819117 0.81443 0.0893096
+3713 2 0.833916 0.822295 0.0702369
+3714 2 0.817806 0.788453 0.088843
+3715 1 0.7058 0.725617 0.0431346
+3716 2 0.713802 0.70957 0.0263684
+3717 2 0.690697 0.745837 0.0317266
+3718 1 0.72908 0.747156 0.0993972
+3719 2 0.713892 0.733712 0.0825519
+3720 2 0.762091 0.738611 0.102035
+3721 1 0.865239 0.853177 0.13141
+3722 2 0.851517 0.846697 0.15172
+3723 2 0.851547 0.836827 0.115749
+3724 1 0.662083 0.781901 0.130167
+3725 2 0.652196 0.781367 0.152249
+3726 2 0.681043 0.75948 0.126613
+3727 1 0.829566 0.835835 0.264469
+3728 2 0.831345 0.854879 0.249337
+3729 2 0.818572 0.813131 0.25506
+3730 1 0.806005 0.625362 0.202013
+3731 2 0.779199 0.643738 0.200953
+3732 2 0.808105 0.618526 0.179777
+3733 1 0.824726 0.774278 0.235144
+3734 2 0.814442 0.749093 0.237259
+3735 2 0.859738 0.774083 0.231732
+3736 1 0.864857 0.618408 0.245137
+3737 2 0.855809 0.634498 0.262381
+3738 2 0.842053 0.62501 0.229227
+3739 1 0.64463 0.715174 0.174813
+3740 2 0.646656 0.698606 0.156798
+3741 2 0.670433 0.705091 0.186908
+3742 1 0.722149 0.610561 0.139373
+3743 2 0.70818 0.589133 0.149277
+3744 2 0.698294 0.629809 0.136986
+3745 1 0.660848 0.761508 0.240649
+3746 2 0.692028 0.757178 0.24981
+3747 2 0.639172 0.766695 0.257493
+3754 1 0.800141 0.724898 0.304918
+3755 2 0.816672 0.713494 0.321793
+3756 2 0.801922 0.750074 0.309177
+3760 1 0.705469 0.751633 0.293596
+3761 2 0.732228 0.739657 0.304183
+3762 2 0.713057 0.777096 0.290023
+3763 1 0.68347 0.632825 0.268915
+3764 2 0.669304 0.653851 0.260489
+3765 2 0.691052 0.61911 0.250291
+3847 1 0.834221 0.753137 0.0222104
+3848 2 0.835209 0.733606 0.00597686
+3849 2 0.806064 0.768548 0.0173131
+3864 2 0.731202 0.778788 0.00987161
+3868 1 0.634873 0.992717 0.152558
+3870 2 0.659154 0.973854 0.154165
+3871 1 0.680699 0.875633 0.174376
+3872 2 0.654067 0.870134 0.160826
+3873 2 0.710184 0.877983 0.162113
+3874 1 0.684177 0.90509 0.0299212
+3875 2 0.669225 0.926202 0.0198501
+3876 2 0.671098 0.883603 0.0196707
+3877 1 0.674046 0.940645 0.0916863
+3878 2 0.693462 0.922966 0.0813059
+3879 2 0.692993 0.945242 0.109761
+3882 2 0.622319 0.854328 0.0095895
+3889 1 0.750625 0.942584 0.204193
+3890 2 0.775428 0.948374 0.189105
+3891 2 0.76466 0.949767 0.223224
+3895 1 0.758197 0.890388 0.31778
+3896 2 0.784578 0.89051 0.333171
+3897 2 0.734433 0.872005 0.323851
+3898 1 0.846506 0.893101 0.22344
+3899 2 0.835472 0.917323 0.230782
+3900 2 0.879449 0.897833 0.21826
+3904 1 0.697054 0.944328 0.155544
+3905 2 0.717535 0.951711 0.172188
+3906 2 0.679973 0.923784 0.164334
+3910 1 0.629959 0.864893 0.285495
+3911 2 0.612679 0.879022 0.301624
+3912 2 0.658703 0.856273 0.295342
+3931 1 0.734632 0.952209 0.300393
+3932 2 0.745003 0.927379 0.30829
+3933 2 0.718365 0.963552 0.318601
+3936 2 0.592137 0.907236 0.331
+4011 2 0.649002 0.978023 0.0023906
+4054 1 0.933173 0.953489 0.0892853
+4055 2 0.937506 0.935978 0.105653
+4056 2 0.914156 0.971728 0.0998189
+4072 1 0.996626 0.980506 0.259484
+4073 2 0.997072 0.977473 0.282387
+4101 2 0.819401 0.990278 0.306098
+4198 1 0.767586 0.930898 0.00790014
+4199 2 0.74024 0.918601 0.0174031
+4200 2 0.791076 0.926567 0.0246254
+4405 1 0.949161 0.554127 0.258424
+4406 2 0.950177 0.577427 0.245616
+4407 2 0.980349 0.552598 0.270149
+4420 1 0.741096 0.569216 0.325111
+4421 2 0.744003 0.592631 0.314066
+4422 2 0.774489 0.562111 0.330862
+4537 1 0.883118 0.646395 0.0226408
+4538 2 0.856721 0.664249 0.0263093
+4539 2 0.870545 0.623132 0.0307829
+4540 1 0.854173 0.588785 0.0559424
+4541 2 0.867456 0.605092 0.0711207
+4542 2 0.823514 0.578607 0.0646688
+4556 2 0.76361 0.680545 0.00191767
+4558 1 0.89142 0.527869 0.0195544
+4559 2 0.87246 0.548841 0.0245757
+4560 2 0.90731 0.520094 0.0383149
+4561 1 0.912056 0.556144 0.17408
+4562 2 0.91267 0.53392 0.186163
+4563 2 0.887734 0.553561 0.157927
+4564 1 0.9425 0.604957 0.214325
+4565 2 0.915228 0.608288 0.228839
+4566 2 0.929157 0.591117 0.196602
+4569 2 0.854622 0.556039 0.328124
+4573 1 0.955879 0.679849 0.215375
+4574 2 0.938907 0.656636 0.217931
+4575 2 0.989595 0.673974 0.216582
+4579 1 0.864242 0.505118 0.0917948
+4581 2 0.84894 0.526937 0.0844205
+4582 1 0.909827 0.504114 0.216508
+4583 2 0.925705 0.516962 0.232757
+4585 1 0.929474 0.642328 0.330963
+4587 2 0.896028 0.649271 0.325871
+4693 1 0.982829 0.657587 0.0350965
+4694 2 0.947627 0.657736 0.0344474
+4695 2 0.992594 0.64335 0.0164523
+4706 2 0.807 0.849019 0.0120598
+4707 2 0.762103 0.822699 0.00925307
+4713 2 0.97992 0.7631 0.0201866
+4729 1 0.923172 0.773989 0.0335059
+4730 2 0.929278 0.753425 0.0494066
+4731 2 0.890996 0.768247 0.0249688
+4732 1 0.903573 0.712548 0.172449
+4733 2 0.885742 0.691939 0.164133
+4734 2 0.923422 0.701476 0.188943
+4735 1 0.958292 0.730967 0.271177
+4736 2 0.943592 0.747177 0.286659
+4737 2 0.942523 0.735191 0.25109
+4738 1 0.91225 0.914948 0.135829
+4739 2 0.92234 0.914065 0.157457
+4740 2 0.893572 0.893465 0.133319
+4741 1 0.861238 0.839797 0.330252
+4743 2 0.871014 0.854347 0.312531
+4744 1 0.80822 0.593801 0.146484
+4745 2 0.775117 0.603615 0.144053
+4746 2 0.802105 0.567746 0.146247
+4747 1 0.859848 0.767556 0.146099
+4748 2 0.877062 0.750496 0.160428
+4749 2 0.858133 0.789987 0.15699
+4750 1 0.96283 0.64458 0.143389
+4751 2 0.982898 0.667084 0.141969
+4752 2 0.966339 0.627591 0.126306
+4753 1 0.795843 0.784027 0.330621
+4754 2 0.814456 0.805063 0.325703
+4762 1 0.964563 0.83762 0.314757
+4763 2 0.994412 0.848084 0.3206
+4771 1 0.90774 0.777229 0.303843
+4772 2 0.922188 0.798285 0.313078
+4773 2 0.87933 0.785597 0.292491
+4774 1 0.991555 0.665827 0.292081
+4775 2 0.973019 0.653224 0.308102
+4776 2 0.972568 0.686639 0.284628
+4876 1 0.973273 0.829888 0.0676024
+4877 2 0.976787 0.826817 0.0896956
+4878 2 0.948919 0.813073 0.0604765
+4882 1 0.830677 0.922963 0.0525979
+4883 2 0.807572 0.91187 0.0670488
+4884 2 0.860933 0.911312 0.0591715
+4885 1 0.806898 0.964603 0.15879
+4886 2 0.839753 0.962881 0.15222
+4887 2 0.789822 0.965783 0.139038
+4894 1 0.769475 0.880875 0.149782
+4895 2 0.788433 0.862886 0.160711
+4896 2 0.78044 0.904961 0.157138
+4897 1 0.823153 0.839173 0.183913
+4898 2 0.83 0.858023 0.19894
+4899 2 0.81377 0.816777 0.195495
+4900 1 0.902937 0.907351 0.298909
+4901 2 0.933522 0.914446 0.306028
+4902 2 0.877593 0.924469 0.304433
+4903 1 0.995848 0.854988 0.217113
+4905 2 0.96961 0.840634 0.226253
+4906 1 0.966666 0.840881 0.13549
+4907 2 0.992369 0.857294 0.143846
+4908 2 0.936 0.852083 0.131056
+4909 1 0.925354 0.902646 0.196795
+4910 2 0.952455 0.886031 0.203553
+4911 2 0.939027 0.926618 0.198895
+4912 1 0.917948 0.891367 0.060821
+4913 2 0.939147 0.870313 0.0590333
+4914 2 0.930951 0.910522 0.0738894
+4915 1 0.757318 0.895744 0.0837438
+4916 2 0.765683 0.891118 0.105419
+4917 2 0.737595 0.873503 0.0824676
+4918 1 0.916247 0.774928 0.225509
+4919 2 0.919808 0.79751 0.238017
+4920 2 0.935612 0.776449 0.207103
+4936 1 0.919045 0.834931 0.255179
+4937 2 0.886294 0.844017 0.259418
+4938 2 0.936454 0.836174 0.275432
+4939 1 0.735345 0.854503 0.22067
+4940 2 0.752091 0.877224 0.220157
+4941 2 0.714634 0.855149 0.202539
+5020 1 0.85741 0.993133 0.0450975
+5021 2 0.866456 0.987398 0.0667981
+5022 2 0.838898 0.971534 0.039417
+115 1 0.991761 0.966227 0.421601
+116 2 0.966291 0.949442 0.427882
+601 1 0.970498 0.536035 0.555821
+602 2 0.957257 0.555948 0.544386
+603 2 0.999166 0.52817 0.543342
+787 1 0.937786 0.579379 0.51209
+788 2 0.927092 0.5705 0.491421
+789 2 0.967295 0.595328 0.507546
+913 1 0.998707 0.940525 0.48748
+914 2 0.98316 0.956938 0.473339
+916 1 0.995386 0.848659 0.444643
+917 2 0.995444 0.851802 0.467185
+918 2 0.963212 0.856094 0.438744
+959 2 0.99743 0.771799 0.616638
+1769 2 0.515242 0.667568 0.423083
+2104 1 0.60665 0.936852 0.496936
+2105 2 0.580421 0.946126 0.510407
+2106 2 0.631767 0.955171 0.499571
+2110 1 0.547588 0.969281 0.538324
+2111 2 0.5348 0.945117 0.542118
+2112 2 0.56874 0.973781 0.556225
+2128 1 0.598396 0.97906 0.589524
+2129 2 0.629055 0.970212 0.595697
+2152 1 0.514735 0.954916 0.659282
+2380 1 0.56934 0.542293 0.411771
+2381 2 0.589638 0.522264 0.405969
+2382 2 0.583529 0.552361 0.430498
+2425 1 0.512562 0.506555 0.472636
+2426 2 0.507364 0.532502 0.467514
+2437 1 0.640836 0.541768 0.453866
+2438 2 0.665878 0.557775 0.444952
+2439 2 0.648614 0.516894 0.447733
+2572 1 0.548006 0.635679 0.350571
+2573 2 0.5661 0.647223 0.367572
+2574 2 0.557241 0.60966 0.352045
+2575 1 0.628538 0.617723 0.48992
+2576 2 0.638719 0.642925 0.484684
+2577 2 0.645368 0.603783 0.473966
+2583 2 0.511036 0.550859 0.40344
+2584 1 0.562816 0.569201 0.353496
+2585 2 0.546408 0.547346 0.344467
+2586 2 0.57612 0.560784 0.373124
+2599 1 0.656598 0.573084 0.596498
+2600 2 0.636723 0.569122 0.577242
+2601 2 0.637508 0.560062 0.612442
+2602 1 0.762981 0.623148 0.449049
+2603 2 0.769002 0.631753 0.42782
+2604 2 0.775341 0.644218 0.460102
+2605 1 0.603216 0.570353 0.546761
+2606 2 0.620637 0.587262 0.533329
+2607 2 0.600333 0.548582 0.534006
+2614 1 0.592952 0.520306 0.500844
+2615 2 0.564949 0.50942 0.489516
+2616 2 0.612173 0.533166 0.48434
+2620 1 0.508744 0.736672 0.60687
+2621 2 0.539492 0.749611 0.603763
+2626 1 0.58087 0.5282 0.606521
+2627 2 0.565567 0.51674 0.623247
+2628 2 0.55542 0.526997 0.590914
+2634 2 0.506564 0.56486 0.656716
+2640 2 0.50107 0.703823 0.628478
+2641 1 0.592906 0.674998 0.664029
+2642 2 0.592555 0.701644 0.659711
+2658 2 0.531868 0.517105 0.66115
+2743 1 0.507704 0.77188 0.362548
+2745 2 0.507527 0.753718 0.379474
+2749 1 0.561517 0.843968 0.418921
+2750 2 0.580673 0.841711 0.438624
+2751 2 0.575196 0.825454 0.404583
+2767 1 0.556153 0.688308 0.549164
+2768 2 0.567108 0.71273 0.542068
+2769 2 0.522183 0.693358 0.550247
+2770 1 0.529669 0.655734 0.498943
+2771 2 0.555798 0.639569 0.494931
+2772 2 0.539047 0.668902 0.517502
+2773 1 0.507437 0.757249 0.466919
+2776 1 0.567395 0.679129 0.445573
+2777 2 0.53961 0.674812 0.459529
+2778 2 0.591797 0.688227 0.46044
+2791 1 0.584303 0.746256 0.661596
+2793 2 0.588867 0.760538 0.642459
+2794 1 0.668913 0.739092 0.590604
+2795 2 0.669508 0.731457 0.612205
+2796 2 0.661918 0.718505 0.57695
+2797 1 0.589716 0.787618 0.611873
+2798 2 0.623961 0.786182 0.604617
+2799 2 0.582488 0.814279 0.611872
+2906 2 0.591422 0.996114 0.376929
+2911 1 0.505939 0.946703 0.434578
+2912 2 0.522237 0.933028 0.418414
+2919 2 0.546334 0.98382 0.436823
+2929 1 0.503704 0.911942 0.485255
+2930 2 0.518782 0.926899 0.469545
+2932 1 0.501673 0.997015 0.361039
+2935 1 0.61368 0.815001 0.537171
+2936 2 0.625476 0.834211 0.548955
+2937 2 0.579901 0.811898 0.544922
+2938 1 0.613348 0.89699 0.54497
+2939 2 0.580755 0.896079 0.551883
+2940 2 0.612083 0.905017 0.523209
+2941 1 0.520107 0.899313 0.54604
+2942 2 0.51593 0.901592 0.523417
+2944 1 0.511638 0.825245 0.500885
+2946 2 0.533163 0.839929 0.488226
+2953 1 0.57115 0.858677 0.620708
+2954 2 0.541732 0.849095 0.630766
+2955 2 0.56434 0.885382 0.617233
+2962 1 0.713264 0.866931 0.639162
+2963 2 0.747467 0.864732 0.638716
+2964 2 0.711096 0.891272 0.647467
+2971 1 0.520801 0.820786 0.562729
+2972 2 0.51154 0.823739 0.540531
+2973 2 0.526276 0.845179 0.570661
+2977 1 0.553258 0.927918 0.610634
+2978 2 0.571093 0.948561 0.600516
+2979 2 0.536876 0.937945 0.629358
+3113 2 0.746656 0.992358 0.404619
+3114 2 0.719483 0.989233 0.372829
+3115 1 0.676403 0.972394 0.346694
+3116 2 0.657936 0.950145 0.344077
+3117 2 0.653314 0.989475 0.355169
+3118 1 0.663324 0.988867 0.516222
+3120 2 0.675614 0.974982 0.533556
+3130 1 0.822801 0.933399 0.606885
+3131 2 0.847345 0.924037 0.592304
+3132 2 0.841075 0.950121 0.619966
+3136 1 0.787603 0.97977 0.55573
+3137 2 0.797937 0.959872 0.5694
+3138 2 0.76343 0.992469 0.566146
+3139 1 0.686965 0.95542 0.607817
+3140 2 0.691377 0.943895 0.587829
+3141 2 0.693299 0.939477 0.624887
+3412 1 0.675976 0.504061 0.395086
+3413 2 0.669982 0.507727 0.373047
+3416 2 0.779546 0.506148 0.430768
+3421 1 0.93204 0.506232 0.354084
+3422 2 0.899456 0.510899 0.34715
+3447 2 0.936732 0.502893 0.573033
+3462 2 0.646606 0.530522 0.664353
+3466 1 0.728703 0.511192 0.546804
+3468 2 0.694849 0.50111 0.547222
+3469 1 0.692018 0.526338 0.642205
+3470 2 0.692092 0.510869 0.623747
+3471 2 0.704482 0.550196 0.635992
+3577 1 0.674982 0.694042 0.355336
+3578 2 0.656971 0.67323 0.346925
+3579 2 0.652193 0.711297 0.364063
+3580 1 0.60649 0.645504 0.402379
+3581 2 0.631092 0.629619 0.410416
+3582 2 0.591808 0.659617 0.419522
+3583 1 0.840317 0.586315 0.397826
+3584 2 0.837264 0.560192 0.404107
+3585 2 0.845568 0.598842 0.416832
+3586 1 0.842759 0.700433 0.358117
+3587 2 0.870097 0.687918 0.366546
+3588 2 0.849625 0.725753 0.364378
+3589 1 0.755316 0.67585 0.383388
+3590 2 0.783918 0.68634 0.373859
+3591 2 0.72736 0.676179 0.369861
+3592 1 0.744408 0.590093 0.382453
+3593 2 0.778847 0.586072 0.381419
+3594 2 0.731452 0.582436 0.362697
+3598 1 0.677519 0.599306 0.428895
+3599 2 0.703031 0.612407 0.439653
+3600 2 0.693705 0.591786 0.409728
+3601 1 0.906081 0.562819 0.448173
+3602 2 0.876836 0.548571 0.444407
+3603 2 0.926407 0.558527 0.428969
+3604 1 0.801406 0.526372 0.64393
+3605 2 0.776399 0.541474 0.634773
+3606 2 0.823165 0.542547 0.655373
+3607 1 0.802743 0.604844 0.57954
+3608 2 0.777828 0.622263 0.575776
+3609 2 0.814846 0.597313 0.559604
+3610 1 0.807488 0.517617 0.496399
+3611 2 0.813809 0.537164 0.511526
+3612 2 0.83964 0.506246 0.490593
+3613 1 0.639924 0.690278 0.481205
+3614 2 0.645569 0.697403 0.50226
+3615 2 0.663439 0.701847 0.468034
+3616 1 0.740659 0.56074 0.476183
+3617 2 0.757904 0.576792 0.462206
+3618 2 0.763441 0.540804 0.480523
+3622 1 0.744094 0.579092 0.619927
+3623 2 0.714151 0.582319 0.608696
+3624 2 0.767942 0.590442 0.606395
+3625 1 0.694542 0.627453 0.565259
+3626 2 0.702904 0.609256 0.549068
+3627 2 0.678661 0.61289 0.581885
+3628 1 0.762286 0.684633 0.609683
+3629 2 0.732224 0.672885 0.614663
+3630 2 0.756314 0.707107 0.597449
+3634 1 0.889677 0.628028 0.579515
+3635 2 0.860825 0.613329 0.580719
+3636 2 0.877866 0.652925 0.578146
+3637 1 0.820877 0.677636 0.664074
+3638 2 0.804285 0.685085 0.644834
+3647 2 0.755034 0.603696 0.651844
+3748 1 0.742522 0.769837 0.420872
+3749 2 0.741761 0.777478 0.442675
+3750 2 0.726787 0.746619 0.423214
+3751 1 0.826492 0.766595 0.386448
+3752 2 0.792427 0.765892 0.392928
+3753 2 0.841353 0.770773 0.406357
+3757 1 0.863218 0.801472 0.436976
+3758 2 0.885964 0.807303 0.45259
+3759 2 0.848474 0.778823 0.44614
+3766 1 0.585411 0.803317 0.370526
+3767 2 0.556038 0.788963 0.369491
+3768 2 0.592653 0.812344 0.351298
+3769 1 0.592831 0.76424 0.444997
+3770 2 0.600982 0.787894 0.452326
+3771 2 0.560013 0.759681 0.452334
+3772 1 0.561939 0.753671 0.51983
+3773 2 0.580956 0.774727 0.52429
+3774 2 0.542593 0.758786 0.501523
+3775 1 0.731624 0.717904 0.522934
+3776 2 0.751092 0.731214 0.538259
+3777 2 0.710983 0.702414 0.534498
+3778 1 0.768059 0.686453 0.47314
+3779 2 0.760631 0.702059 0.490447
+3780 2 0.74049 0.690947 0.45938
+3781 1 0.830966 0.807842 0.506227
+3782 2 0.843925 0.798431 0.526112
+3783 2 0.857267 0.818213 0.493572
+3784 1 0.705101 0.575732 0.529734
+3785 2 0.710148 0.568922 0.508422
+3786 2 0.713177 0.552679 0.540241
+3787 1 0.617352 0.736559 0.394589
+3788 2 0.602602 0.744298 0.414772
+3789 2 0.627172 0.757753 0.38333
+3790 1 0.654292 0.687941 0.548445
+3791 2 0.621956 0.680144 0.553815
+3792 2 0.670951 0.664369 0.55263
+3793 1 0.749217 0.849845 0.567245
+3794 2 0.766619 0.832335 0.579883
+3795 2 0.718671 0.853802 0.578787
+3802 1 0.844651 0.687138 0.573721
+3803 2 0.818284 0.685074 0.588027
+3804 2 0.865036 0.704999 0.584837
+3805 1 0.67313 0.732507 0.657044
+3806 2 0.638559 0.738123 0.659315
+3809 2 0.691191 0.837219 0.665593
+3811 1 0.532303 0.613737 0.573142
+3812 2 0.556622 0.59438 0.56919
+3813 2 0.543819 0.637318 0.563039
+3835 1 0.672563 0.653551 0.635537
+3836 2 0.686475 0.648656 0.655552
+3837 2 0.640996 0.661963 0.642123
+3913 1 0.730364 0.889896 0.395601
+3914 2 0.70087 0.899759 0.387074
+3915 2 0.728019 0.864517 0.38863
+3916 1 0.623313 0.945379 0.434834
+3917 2 0.60893 0.934422 0.453554
+3918 2 0.614323 0.970624 0.438146
+3919 1 0.817913 0.890455 0.364488
+3920 2 0.792304 0.887284 0.37952
+3921 2 0.83154 0.91355 0.371495
+3922 1 0.721335 0.961169 0.451682
+3923 2 0.687981 0.95907 0.446228
+3924 2 0.724781 0.943217 0.469431
+3928 1 0.721959 0.820704 0.373591
+3929 2 0.720313 0.80904 0.394123
+3930 2 0.740078 0.803977 0.36086
+3934 1 0.622815 0.90554 0.342477
+3935 2 0.607657 0.904992 0.363371
+3937 1 0.575575 0.905403 0.395543
+3938 2 0.566419 0.882115 0.406192
+3939 2 0.594642 0.919993 0.410328
+3942 2 0.698732 0.995287 0.634278
+3943 1 0.849875 0.995495 0.517984
+3944 2 0.82364 0.987619 0.533929
+3945 2 0.833826 0.99289 0.497303
+3946 1 0.732147 0.91648 0.498052
+3947 2 0.713692 0.899618 0.485065
+3948 2 0.757308 0.900934 0.508211
+3952 1 0.678785 0.779793 0.508421
+3953 2 0.653573 0.783157 0.523576
+3954 2 0.695409 0.756932 0.515003
+3955 1 0.615105 0.829776 0.467194
+3956 2 0.648822 0.834689 0.463177
+3957 2 0.613436 0.822201 0.488797
+3958 1 0.691446 0.930336 0.553374
+3959 2 0.710277 0.922732 0.53582
+3960 2 0.666523 0.9109 0.552871
+3961 1 0.80795 0.873461 0.63601
+3962 2 0.834918 0.875595 0.650036
+3963 2 0.809366 0.896676 0.625592
+3970 1 0.930105 0.901586 0.587175
+3971 2 0.929614 0.9179 0.569793
+3972 2 0.963907 0.895618 0.589
+3976 1 0.756477 0.750895 0.57675
+3977 2 0.773575 0.76546 0.59252
+3978 2 0.722572 0.752823 0.582254
+3979 1 0.658004 0.845671 0.593578
+3980 2 0.627926 0.854206 0.601843
+3981 2 0.676884 0.85272 0.612373
+3982 1 0.982234 0.832042 0.652553
+3983 2 0.987464 0.858721 0.650263
+4123 1 0.817263 0.975242 0.466598
+4124 2 0.784313 0.967924 0.461163
+4125 2 0.825816 0.995965 0.453812
+4152 2 0.918468 0.99701 0.622126
+4567 1 0.827201 0.561988 0.34189
+4568 2 0.838392 0.576905 0.359048
+4586 2 0.932933 0.64074 0.354865
+4588 1 0.954223 0.646831 0.387105
+4589 2 0.960198 0.669794 0.397051
+4590 2 0.981952 0.631473 0.392501
+4597 1 0.927409 0.807016 0.364791
+4598 2 0.894715 0.810851 0.356936
+4599 2 0.92385 0.783444 0.376213
+4609 1 0.952503 0.551253 0.398289
+4610 2 0.954418 0.537946 0.377545
+4611 2 0.974586 0.571501 0.394522
+4612 1 0.847918 0.732343 0.451583
+4613 2 0.820818 0.717267 0.458306
+4614 2 0.873913 0.71826 0.461931
+4617 2 0.966841 0.500394 0.429419
+4618 1 0.918054 0.628478 0.440255
+4619 2 0.932125 0.625805 0.41963
+4620 2 0.91338 0.602555 0.447218
+4621 1 0.914048 0.685154 0.469618
+4622 2 0.942896 0.696867 0.463753
+4623 2 0.916583 0.660475 0.461481
+4627 1 0.838296 0.521309 0.414656
+4628 2 0.86843 0.509651 0.421832
+4629 2 0.837942 0.509831 0.392947
+4633 1 0.845999 0.570193 0.530916
+4634 2 0.841153 0.592598 0.520054
+4635 2 0.881318 0.564337 0.528487
+4644 2 0.985763 0.531075 0.597055
+4651 1 0.816181 0.512823 0.570866
+4652 2 0.785514 0.515889 0.560981
+4653 2 0.833122 0.535909 0.569002
+4673 2 0.906761 0.506528 0.663458
+4742 2 0.84921 0.856755 0.345807
+4755 2 0.808437 0.775516 0.349721
+4756 1 0.913192 0.866014 0.399495
+4757 2 0.879346 0.865353 0.406547
+4758 2 0.918182 0.843416 0.389779
+4760 2 0.972777 0.879024 0.38656
+4764 2 0.95204 0.827334 0.334238
+4777 1 0.749529 0.805625 0.474352
+4778 2 0.724534 0.801622 0.4904
+4779 2 0.780283 0.805471 0.485106
+4780 1 0.93233 0.679108 0.533638
+4781 2 0.917195 0.656816 0.540612
+4782 2 0.925793 0.680056 0.511218
+4786 1 0.914702 0.755234 0.512129
+4787 2 0.894294 0.765295 0.528705
+4788 2 0.924849 0.731845 0.519182
+4789 1 0.986741 0.854018 0.502548
+4790 2 0.996295 0.836849 0.518392
+4791 2 0.98283 0.876852 0.512757
+4792 1 0.936754 0.723384 0.409504
+4793 2 0.961883 0.729826 0.425668
+4794 2 0.90619 0.72003 0.419454
+4795 1 0.692562 0.708206 0.426613
+4796 2 0.661285 0.710553 0.415778
+4797 2 0.711632 0.692804 0.412849
+4801 1 0.873265 0.782949 0.557646
+4802 2 0.900632 0.780956 0.572582
+4803 2 0.845493 0.785834 0.572058
+4805 2 0.878893 0.659448 0.660423
+4806 2 0.922431 0.637065 0.648588
+4812 2 0.99999 0.661405 0.626393
+4816 1 0.965487 0.623866 0.613727
+4817 2 0.987251 0.607802 0.602241
+4818 2 0.935372 0.624332 0.60224
+4819 1 0.809192 0.630699 0.516004
+4820 2 0.819528 0.654821 0.522383
+4821 2 0.774948 0.634975 0.508397
+4822 1 0.938118 0.709372 0.592606
+4823 2 0.965037 0.699078 0.605117
+4824 2 0.939165 0.696225 0.572681
+4924 1 0.865274 0.951599 0.3769
+4925 2 0.879631 0.950173 0.397511
+4926 2 0.85435 0.976942 0.373983
+4942 1 0.91655 0.814571 0.480509
+4943 2 0.924474 0.790192 0.488689
+4944 2 0.945785 0.828688 0.484832
+4945 1 0.905249 0.93305 0.429638
+4946 2 0.886306 0.929714 0.45005
+4947 2 0.904681 0.90889 0.418762
+4951 1 0.945053 0.940072 0.538608
+4952 2 0.915864 0.949881 0.527881
+4953 2 0.967842 0.938592 0.520984
+4954 1 0.851221 0.911739 0.482787
+4955 2 0.829697 0.903399 0.498513
+4956 2 0.833535 0.933416 0.476003
+4963 1 0.707454 0.864984 0.451805
+4964 2 0.719492 0.878239 0.432914
+4965 2 0.730309 0.84487 0.456828
+4966 1 0.834604 0.869106 0.431882
+4967 2 0.844253 0.877379 0.452934
+4968 2 0.835746 0.842133 0.433587
+4970 2 0.904416 0.995577 0.495146
+4978 1 0.939636 0.778152 0.597579
+4979 2 0.931991 0.784035 0.618543
+4980 2 0.941626 0.751282 0.596846
+4981 1 0.880588 0.974586 0.640829
+4982 2 0.898175 0.951447 0.644159
+4983 2 0.851758 0.973182 0.65396
+4984 1 0.995737 0.803657 0.54316
+4986 2 0.971045 0.804634 0.558846
+4987 1 0.794867 0.876073 0.521414
+4988 2 0.811902 0.85333 0.516258
+4989 2 0.773316 0.869523 0.53873
+4990 1 0.814044 0.804495 0.606968
+4991 2 0.817451 0.829155 0.615711
+4992 2 0.837322 0.790593 0.618185
+5002 1 0.908452 0.909355 0.648269
+5003 2 0.913901 0.904492 0.625762
+5004 2 0.941889 0.906062 0.656028
+5011 1 0.88429 0.776703 0.651017
+5013 2 0.908878 0.790124 0.661228
+670 1 0.999464 0.617844 0.986174
+671 2 0.997167 0.591057 0.983827
+795 2 0.98465 0.71792 0.782635
+1004 2 0.99315 0.705811 0.877985
+1005 2 0.999485 0.722876 0.909853
+1642 1 0.611921 0.519159 0.845368
+1643 2 0.594289 0.512841 0.864637
+1644 2 0.639607 0.503386 0.844798
+1783 1 0.53781 0.697309 0.739955
+1784 2 0.560621 0.67919 0.747957
+1785 2 0.514319 0.683532 0.727123
+1839 2 0.506088 0.811963 0.957261
+2035 1 0.537243 0.99205 0.901815
+2037 2 0.536308 0.967211 0.895593
+2153 2 0.508777 0.933681 0.673091
+2506 1 0.64141 0.609268 0.838482
+2507 2 0.675116 0.606317 0.839591
+2508 2 0.632506 0.594178 0.820762
+2530 1 0.606226 0.587545 0.988007
+2531 2 0.629604 0.605735 0.991971
+2532 2 0.578415 0.598747 0.998226
+2623 1 0.637113 0.503008 0.742896
+2625 2 0.621553 0.514883 0.725899
+2629 1 0.602361 0.601476 0.670108
+2630 2 0.575503 0.599744 0.684749
+2631 2 0.611227 0.627449 0.670499
+2632 1 0.510447 0.54974 0.67472
+2633 2 0.517738 0.567044 0.69151
+2643 2 0.560696 0.669002 0.673037
+2646 2 0.513102 0.580168 0.834864
+2649 2 0.501386 0.506215 0.870622
+2650 1 0.632043 0.575974 0.785167
+2651 2 0.607659 0.556422 0.784807
+2652 2 0.662586 0.564737 0.778882
+2653 1 0.555787 0.580923 0.867386
+2654 2 0.557687 0.596582 0.885597
+2655 2 0.587861 0.582613 0.858787
+2662 1 0.707316 0.51964 0.785183
+2664 2 0.68246 0.514373 0.770183
+2674 1 0.743536 0.644073 0.80733
+2675 2 0.741204 0.643659 0.830139
+2676 2 0.741049 0.6172 0.803257
+2686 1 0.564729 0.51023 0.89588
+2687 2 0.570504 0.534908 0.902029
+2705 2 0.504164 0.637365 0.990375
+2792 2 0.566523 0.759697 0.677427
+2809 1 0.5737 0.629773 0.762016
+2810 2 0.603003 0.617085 0.767268
+2811 2 0.554827 0.633137 0.780778
+2815 1 0.532229 0.679515 0.813106
+2816 2 0.530065 0.705787 0.81131
+2817 2 0.564341 0.675937 0.823286
+2818 1 0.680872 0.706774 0.752457
+2819 2 0.707208 0.723995 0.74936
+2820 2 0.664024 0.713947 0.771803
+2821 1 0.529615 0.799368 0.831612
+2822 2 0.562078 0.808579 0.838117
+2823 2 0.537192 0.780983 0.815444
+2824 1 0.541258 0.599578 0.714265
+2825 2 0.554207 0.612254 0.73313
+2826 2 0.50647 0.600775 0.719272
+2827 1 0.559392 0.530512 0.798952
+2828 2 0.57689 0.520929 0.817672
+2829 2 0.539631 0.550522 0.806709
+2830 1 0.512109 0.766009 0.883547
+2832 2 0.520297 0.781982 0.866535
+2833 1 0.67055 0.743774 0.857491
+2834 2 0.701025 0.730152 0.855449
+2835 2 0.656959 0.742153 0.836682
+2836 1 0.637828 0.777589 0.976578
+2837 2 0.614999 0.774854 0.993274
+2838 2 0.625796 0.796321 0.963491
+2839 1 0.588839 0.738673 0.914783
+2840 2 0.563771 0.748851 0.901307
+2841 2 0.617828 0.750921 0.90721
+2842 1 0.670973 0.714926 0.961325
+2843 2 0.651387 0.735607 0.966771
+2844 2 0.696423 0.725817 0.949721
+2846 2 0.578772 0.68833 0.99083
+2848 1 0.553592 0.625327 0.915519
+2849 2 0.573538 0.642512 0.927522
+2850 2 0.550109 0.606553 0.93129
+2959 1 0.705237 0.925871 0.669751
+2960 2 0.701088 0.909484 0.687455
+2961 2 0.687624 0.948749 0.674345
+2968 1 0.5987 0.896825 0.707642
+2969 2 0.581328 0.884996 0.690729
+2970 2 0.609245 0.876634 0.720648
+2986 1 0.562684 0.939602 0.829508
+2987 2 0.541001 0.926937 0.844405
+2988 2 0.544614 0.957201 0.818624
+2992 1 0.522656 0.758306 0.710634
+2993 2 0.53111 0.735346 0.722247
+2994 2 0.511529 0.774076 0.727876
+3010 1 0.512283 0.913458 0.879596
+3017 2 0.502151 0.874652 0.857387
+3018 2 0.502243 0.838108 0.836323
+3151 1 0.677341 0.957644 0.935331
+3152 2 0.653744 0.944833 0.922425
+3153 2 0.709069 0.944341 0.936384
+3154 1 0.768571 0.983052 0.802733
+3155 2 0.747845 0.962683 0.796915
+3156 2 0.755893 0.992039 0.823169
+3162 2 0.59422 0.993033 0.74699
+3178 1 0.925249 0.983518 0.842956
+3179 2 0.908718 0.969995 0.859378
+3180 2 0.903354 0.980675 0.825295
+3460 1 0.622063 0.530246 0.680968
+3461 2 0.612125 0.555257 0.678421
+3507 2 0.705816 0.51101 0.83185
+3517 1 0.659766 0.562746 0.921704
+3518 2 0.630126 0.554627 0.931173
+3519 2 0.654301 0.588914 0.922428
+3526 1 0.676717 0.500353 0.950345
+3527 2 0.67319 0.51919 0.934633
+3538 1 0.759652 0.581214 0.976608
+3539 2 0.740505 0.582839 0.995741
+3540 2 0.769684 0.605615 0.97161
+3631 1 0.797107 0.567874 0.721272
+3632 2 0.815142 0.549225 0.732139
+3633 2 0.765104 0.557091 0.718149
+3639 2 0.800554 0.657125 0.670643
+3646 1 0.75598 0.620092 0.670293
+3648 2 0.764873 0.606715 0.689332
+3649 1 0.704992 0.615802 0.721601
+3650 2 0.672994 0.623533 0.717157
+3651 2 0.709211 0.589358 0.719443
+3652 1 0.611003 0.683046 0.845012
+3653 2 0.623096 0.660206 0.85037
+3654 2 0.619605 0.698482 0.862507
+3655 1 0.890956 0.703294 0.87807
+3656 2 0.87775 0.727885 0.876684
+3657 2 0.86646 0.686698 0.88566
+3661 1 0.778915 0.650999 0.747761
+3662 2 0.764782 0.62993 0.737285
+3663 2 0.769585 0.646826 0.769071
+3664 1 0.711029 0.544073 0.71163
+3665 2 0.677825 0.542611 0.703945
+3666 2 0.723702 0.520589 0.706425
+3670 1 0.741586 0.576909 0.809095
+3671 2 0.770028 0.569504 0.820795
+3672 2 0.727409 0.554906 0.799148
+3673 1 0.730198 0.621227 0.866073
+3674 2 0.707548 0.634742 0.879192
+3675 2 0.731897 0.596747 0.87465
+3676 1 0.664676 0.634087 0.922143
+3677 2 0.637102 0.643389 0.933001
+3678 2 0.694437 0.647868 0.925616
+3679 1 0.754226 0.657158 0.934477
+3680 2 0.778686 0.676073 0.928159
+3681 2 0.76282 0.634265 0.924638
+3682 1 0.796735 0.59409 0.917563
+3683 2 0.814331 0.577889 0.931047
+3684 2 0.77783 0.575674 0.906482
+3688 1 0.73736 0.552904 0.88955
+3689 2 0.708362 0.55347 0.902284
+3690 2 0.732762 0.531148 0.877539
+3691 1 0.856671 0.519379 0.73617
+3692 2 0.877628 0.535887 0.747213
+3694 1 0.562454 0.563612 0.941734
+3695 2 0.547202 0.540276 0.946202
+3696 2 0.580058 0.56834 0.961012
+3796 1 0.538286 0.839093 0.724092
+3797 2 0.516519 0.838538 0.706417
+3798 2 0.520526 0.850623 0.741434
+3799 1 0.630021 0.837807 0.735632
+3800 2 0.595442 0.832978 0.733258
+3801 2 0.648522 0.817499 0.727833
+3807 2 0.67915 0.713324 0.672744
+3808 1 0.694388 0.820726 0.683071
+3810 2 0.686297 0.796492 0.675375
+3814 1 0.711343 0.879546 0.720914
+3815 2 0.700654 0.856393 0.713162
+3816 2 0.691515 0.885933 0.738115
+3817 1 0.63766 0.732629 0.804076
+3818 2 0.629418 0.708684 0.811429
+3819 2 0.609217 0.745225 0.796111
+3820 1 0.808554 0.716304 0.926223
+3821 2 0.776444 0.728398 0.926442
+3822 2 0.831099 0.733341 0.914938
+3823 1 0.750923 0.705217 0.838296
+3824 2 0.784036 0.710534 0.836119
+3825 2 0.745171 0.687683 0.821907
+3826 1 0.703897 0.841293 0.808919
+3827 2 0.737652 0.832527 0.805866
+3828 2 0.687843 0.841096 0.789403
+3829 1 0.668594 0.879528 0.855525
+3830 2 0.674934 0.904932 0.847884
+3831 2 0.688361 0.863821 0.841432
+3832 1 0.698136 0.683699 0.695813
+3833 2 0.718359 0.661564 0.697171
+3834 2 0.69041 0.69129 0.716897
+3838 1 0.549024 0.741155 0.784813
+3839 2 0.546798 0.72569 0.765739
+3840 2 0.515925 0.752497 0.783396
+3841 1 0.760869 0.764334 0.800607
+3842 2 0.793935 0.756352 0.793494
+3843 2 0.740286 0.744562 0.795031
+3844 1 0.731351 0.755925 0.922866
+3845 2 0.755953 0.774808 0.923248
+3846 2 0.724816 0.753876 0.900665
+3850 1 0.931044 0.666734 0.975167
+3851 2 0.907819 0.657297 0.991375
+3852 2 0.955135 0.646386 0.974341
+3853 1 0.912825 0.847094 0.896032
+3854 2 0.881686 0.858658 0.895145
+3855 2 0.929856 0.861747 0.879895
+3856 1 0.844227 0.705286 0.980476
+3857 2 0.828335 0.710798 0.961014
+3858 2 0.874206 0.69377 0.97351
+3859 1 0.594362 0.680264 0.943316
+3860 2 0.624709 0.687067 0.95327
+3861 2 0.588108 0.702964 0.93203
+3862 1 0.752577 0.77272 0.992819
+3863 2 0.728625 0.773309 0.976653
+3880 1 0.645274 0.851996 0.992916
+3881 2 0.626028 0.857177 0.973423
+3884 2 0.520946 0.927963 0.986632
+3886 1 0.758682 0.922729 0.94389
+3887 2 0.744574 0.898745 0.940751
+3888 2 0.764557 0.923275 0.966873
+3967 1 0.797897 0.857149 0.732071
+3968 2 0.823035 0.866546 0.71853
+3969 2 0.766225 0.86464 0.724011
+3984 2 0.982552 0.82953 0.675657
+3985 1 0.650945 0.977429 0.688565
+3986 2 0.661481 0.989385 0.707083
+3987 2 0.642293 0.996206 0.674013
+3989 2 0.769961 0.994963 0.878286
+3994 1 0.706738 0.93478 0.767888
+3995 2 0.680958 0.943421 0.754324
+3996 2 0.688029 0.929518 0.786933
+4000 1 0.608076 0.947064 0.753685
+4001 2 0.597458 0.933688 0.735472
+4002 2 0.586085 0.939899 0.770345
+4009 1 0.644438 0.954241 0.992285
+4010 2 0.650357 0.957953 0.969688
+4016 2 0.687565 0.997324 0.922322
+4018 1 0.731058 0.836805 0.891127
+4019 2 0.707659 0.856925 0.887907
+4020 2 0.753187 0.843783 0.907679
+4021 1 0.718943 0.857455 0.953205
+4022 2 0.742729 0.857193 0.970805
+4023 2 0.689427 0.858445 0.965627
+4024 1 0.648866 0.79383 0.893505
+4025 2 0.678356 0.801282 0.903566
+4026 2 0.656115 0.775125 0.877018
+4027 1 0.602022 0.831877 0.854041
+4028 2 0.626241 0.851522 0.853055
+4029 2 0.615572 0.812342 0.867015
+4030 1 0.613456 0.914718 0.899384
+4031 2 0.586692 0.922668 0.886346
+4032 2 0.629242 0.896652 0.885635
+4053 2 0.770533 0.980314 0.997467
+4133 2 0.887911 0.995252 0.711357
+4153 1 0.858784 0.961158 0.804398
+4154 2 0.823892 0.964213 0.803396
+4155 2 0.864436 0.934864 0.803872
+4162 1 0.996824 0.999052 0.884581
+4164 2 0.964277 0.998899 0.893297
+4165 1 0.860056 0.888948 0.821525
+4166 2 0.83469 0.89531 0.806351
+4167 2 0.856865 0.862282 0.824349
+4168 1 0.943277 0.984031 0.712358
+4169 2 0.958783 0.997668 0.728877
+4170 2 0.943842 0.95956 0.721577
+4171 1 0.807893 0.949214 0.671715
+4172 2 0.817978 0.9452 0.692791
+4173 2 0.77362 0.94186 0.671895
+4174 1 0.859978 0.893397 0.69728
+4175 2 0.88786 0.88508 0.709328
+4176 2 0.871408 0.905303 0.678907
+4195 1 0.854635 0.994975 0.957735
+4197 2 0.873449 0.9731 0.95883
+4369 1 0.952168 0.500926 0.944411
+4370 2 0.970835 0.518025 0.956611
+4552 1 0.946009 0.61475 0.89311
+4553 2 0.913618 0.624695 0.892999
+4554 2 0.948186 0.606966 0.914236
+4555 1 0.736352 0.667887 0.992397
+4557 2 0.742608 0.668083 0.969686
+4636 1 0.940615 0.713726 0.702092
+4637 2 0.932567 0.692333 0.689679
+4638 2 0.971179 0.723611 0.693783
+4645 1 0.968624 0.628157 0.716312
+4646 2 0.953722 0.608454 0.728876
+4647 2 0.947438 0.632343 0.698254
+4650 2 0.986908 0.537931 0.681124
+4654 1 0.857962 0.567658 0.674523
+4655 2 0.870252 0.591875 0.674664
+4656 2 0.837206 0.564746 0.691692
+4657 1 0.920307 0.576381 0.82334
+4658 2 0.906916 0.600456 0.824415
+4659 2 0.896581 0.557701 0.826683
+4660 1 0.848314 0.53396 0.830085
+4661 2 0.833148 0.532673 0.850945
+4662 2 0.839808 0.511529 0.819269
+4664 2 0.9946 0.503822 0.807851
+4665 2 0.976492 0.54442 0.810709
+4669 1 0.862581 0.638724 0.827856
+4670 2 0.869308 0.663646 0.834069
+4671 2 0.862601 0.641657 0.805388
+4672 1 0.928575 0.524533 0.671864
+4674 2 0.905491 0.543824 0.677308
+4681 1 0.858162 0.635517 0.891525
+4682 2 0.850833 0.627809 0.871094
+4683 2 0.836404 0.622187 0.904524
+4684 1 0.974173 0.79178 0.865002
+4685 2 0.944717 0.799058 0.874861
+4686 2 0.976551 0.765584 0.870597
+4687 1 0.896781 0.564482 0.960329
+4688 2 0.866869 0.54957 0.961052
+4689 2 0.914534 0.556342 0.978676
+4690 1 0.958489 0.523378 0.88029
+4691 2 0.94968 0.52115 0.901884
+4692 2 0.958421 0.549103 0.873245
+4702 1 0.815098 0.531193 0.965031
+4703 2 0.78596 0.546276 0.966018
+4704 2 0.811786 0.514783 0.948371
+4705 1 0.778704 0.843349 0.998891
+4714 1 0.984717 0.812426 0.976439
+4715 2 0.990654 0.791199 0.989199
+4717 1 0.886728 0.805281 0.944968
+4718 2 0.902358 0.823226 0.931827
+4719 2 0.910042 0.802876 0.961035
+4723 1 0.795401 0.813188 0.937493
+4724 2 0.779169 0.816615 0.956841
+4725 2 0.829876 0.815408 0.942187
+4726 1 0.932134 0.869568 0.988128
+4727 2 0.95413 0.88905 0.988673
+4728 2 0.951034 0.847427 0.982684
+4804 1 0.906623 0.645445 0.667164
+4825 1 0.842942 0.732564 0.802825
+4826 2 0.850954 0.713634 0.787764
+4827 2 0.872474 0.744997 0.806853
+4828 1 0.8389 0.821355 0.829511
+4829 2 0.810445 0.807983 0.834019
+4830 2 0.862126 0.805136 0.819929
+4831 1 0.953427 0.698489 0.805652
+4832 2 0.927317 0.682636 0.799221
+4833 2 0.965718 0.691284 0.8263
+4834 1 0.927105 0.573472 0.748246
+4835 2 0.955668 0.556518 0.744545
+4836 2 0.918518 0.574181 0.770259
+4837 1 0.934743 0.895795 0.855105
+4838 2 0.90105 0.895885 0.848943
+4839 2 0.948723 0.886771 0.835776
+4840 1 0.856873 0.692615 0.717398
+4841 2 0.836696 0.688145 0.699056
+4842 2 0.885629 0.70422 0.710343
+4843 1 0.841645 0.775744 0.712105
+4844 2 0.817552 0.757866 0.718528
+4845 2 0.829723 0.800143 0.717768
+4846 1 0.763767 0.72676 0.727976
+4847 2 0.746332 0.72842 0.709054
+4848 2 0.767523 0.701232 0.733201
+4849 1 0.76929 0.781292 0.863026
+4850 2 0.757536 0.769546 0.844877
+4851 2 0.748353 0.801931 0.870142
+4852 1 0.859565 0.771877 0.892658
+4853 2 0.83524 0.785902 0.881704
+4854 2 0.86882 0.787925 0.909323
+4864 1 0.970256 0.672657 0.863377
+4865 2 0.94153 0.683047 0.871396
+4866 2 0.966508 0.647619 0.870119
+4867 1 0.861571 0.667183 0.774064
+4868 2 0.828773 0.658982 0.767722
+4869 2 0.873291 0.675342 0.753025
+4871 2 0.993481 0.732128 0.960212
+4872 2 0.978218 0.692258 0.954354
+4888 1 0.86623 0.913921 0.964528
+4889 2 0.837507 0.903879 0.973947
+4890 2 0.89594 0.901313 0.97391
+4891 1 0.599939 0.860014 0.938915
+4892 2 0.59134 0.841522 0.922882
+4893 2 0.603568 0.882424 0.926362
+4975 1 0.910544 0.785889 0.802277
+4976 2 0.915984 0.780014 0.780385
+4977 2 0.923804 0.810932 0.802823
+4993 1 0.941793 0.879721 0.730634
+4994 2 0.970324 0.89484 0.73418
+4995 2 0.960626 0.858178 0.728726
+4996 1 0.812991 0.906862 0.772486
+4997 2 0.814961 0.886162 0.759022
+4998 2 0.781069 0.916856 0.768423
+5006 2 0.982312 0.91997 0.860902
+5008 1 0.911804 0.763753 0.744235
+5009 2 0.924316 0.741636 0.734566
+5010 2 0.883651 0.771363 0.732513
+5012 2 0.866431 0.77084 0.669958
+5014 1 0.970928 0.811755 0.714758
+5015 2 0.946169 0.794626 0.72166
+5017 1 0.78355 0.97778 0.912678
+5018 2 0.795667 0.992053 0.930311
+5019 2 0.772759 0.954784 0.922788
+5023 1 0.96654 0.89873 0.924727
+5024 2 0.945655 0.879324 0.918873
+5025 2 0.966091 0.913047 0.906126
+5029 1 0.894496 0.977347 0.901411
+5030 2 0.865961 0.969319 0.91269
+5032 1 0.9775 0.842479 0.820526
+5034 2 0.975706 0.821665 0.835597
+5035 1 0.659657 0.941102 0.819018
+5036 2 0.660706 0.966859 0.817895
+5037 2 0.625527 0.936791 0.817601
+5038 1 0.842082 0.897278 0.898777
+5039 2 0.837413 0.916483 0.885118
+5040 2 0.843091 0.906216 0.919184
+ITEM: TIMESTEP
+50
+ITEM: NUMBER OF ATOMS
+5040
+ITEM: BOX BOUNDS
+0 29
+0 38.2612
+0 44.7998
+ITEM: ATOMS
+6 2 0.018314 0.286958 0.0358046
+7 1 0.258479 0.145226 0.0748766
+8 2 0.247624 0.160173 0.0578458
+9 2 0.230315 0.131821 0.0801108
+10 1 0.33068 0.101141 0.0608482
+11 2 0.303612 0.117131 0.064936
+12 2 0.344528 0.107914 0.0411658
+13 1 0.116885 0.282475 0.0390861
+14 2 0.0951223 0.277071 0.0215653
+15 2 0.107319 0.266222 0.0570289
+16 1 0.256757 0.0198469 0.0558973
+17 2 0.228365 0.0348941 0.0530867
+18 2 0.270884 0.013891 0.0359561
+19 1 0.00130283 0.0602186 0.044366
+20 2 -0.00171455 0.0575031 0.0667851
+22 1 0.174521 0.0600084 0.0488003
+23 2 0.146098 0.0697244 0.0384523
+24 2 0.173715 0.0728848 0.0686044
+25 1 0.167787 0.103796 0.0996939
+26 2 0.135657 0.0955679 0.104491
+27 2 0.175433 0.117437 0.11836
+28 1 0.072741 0.113548 0.129571
+29 2 0.0805622 0.0944746 0.144264
+30 2 0.0772985 0.136619 0.140388
+31 1 0.235396 0.0354069 0.288213
+32 2 0.214535 0.0209811 0.274479
+33 2 0.265199 0.0391422 0.275833
+34 1 0.346355 0.0310312 0.0756601
+35 2 0.347195 0.0566167 0.0720578
+36 2 0.314408 0.0243563 0.0702666
+43 1 0.0726218 0.0279894 0.14021
+44 2 0.056392 0.0169872 0.157473
+45 2 0.0611373 0.0164086 0.121772
+50 2 0.098416 0.142198 0.32397
+1572 2 0.250253 0.501456 0.316433
+58 1 0.316147 0.126368 0.263715
+59 2 0.296891 0.142845 0.250425
+60 2 0.340209 0.120002 0.248349
+61 1 0.307921 0.104227 0.196872
+62 2 0.279591 0.10039 0.209885
+63 2 0.305852 0.0855149 0.180814
+64 1 0.0517692 0.0041897 0.205177
+91 1 0.104954 0.0515121 0.315196
+93 2 0.0950493 0.0303487 0.303599
+149 2 0.037647 0.191535 0.0175401
+157 1 0.0112996 0.19871 0.0501693
+158 2 0.0168658 0.180992 0.0666741
+159 2 0.0209371 0.222431 0.0581328
+166 1 0.0874666 0.0929805 0.0242743
+167 2 0.0594371 0.0811737 0.0327744
+168 2 0.0766531 0.0944929 0.00291714
+1043 2 0.35386 -0.00120818 0.186244
+172 1 0.0848518 0.30036 0.125379
+173 2 0.0999775 0.324234 0.124876
+174 2 0.0552338 0.30242 0.113936
+175 1 0.117556 0.251483 0.242622
+176 2 0.151402 0.251478 0.250405
+177 2 0.103313 0.274382 0.249763
+178 1 0.193537 0.321517 0.161594
+179 2 0.170897 0.302968 0.169511
+180 2 0.192521 0.317445 0.13928
+181 1 0.12295 0.37409 0.122814
+182 2 0.12976 0.365766 0.101612
+183 2 0.147531 0.392108 0.127594
+185 2 0.146533 0.276446 0.00348035
+190 1 0.149645 0.265519 0.185903
+191 2 0.135336 0.255645 0.20561
+192 2 0.180649 0.25311 0.184298
+193 1 0.0537004 0.292513 0.189674
+194 2 0.0883455 0.293125 0.186612
+195 2 0.0384797 0.308447 0.174338
+198 2 0.0181256 0.27056 0.212088
+199 1 0.163742 0.222657 0.315336
+200 2 0.167384 0.245317 0.303619
+202 1 0.259521 0.320933 0.260969
+203 2 0.253555 0.331237 0.239985
+204 2 0.279299 0.340321 0.269766
+205 1 0.209287 0.256034 0.263332
+206 2 0.228405 0.237392 0.273688
+207 2 0.229815 0.276702 0.258681
+208 1 0.170395 0.18065 0.205564
+209 2 0.194668 0.198716 0.212729
+210 2 0.161289 0.166447 0.22408
+214 1 0.0887674 0.177909 0.169292
+215 2 0.121847 0.179054 0.176257
+216 2 0.0701585 0.181597 0.187878
+220 1 0.109159 0.171243 0.295646
+221 2 0.129146 0.192269 0.302656
+222 2 0.0758617 0.178923 0.301199
+226 1 0.299165 0.278266 0.30539
+227 2 0.326544 0.27086 0.292508
+228 2 0.28115 0.296693 0.294239
+232 1 0.235417 0.0977531 0.23475
+233 2 0.243375 0.0749572 0.244182
+234 2 0.211961 0.109244 0.247772
+235 1 0.0891285 0.0848371 0.217448
+236 2 0.0588877 0.0805702 0.206537
+237 2 0.0820514 0.10918 0.225818
+238 1 0.164851 0.1237 0.271959
+239 2 0.147329 0.144275 0.280158
+240 2 0.141438 0.104782 0.270259
+334 1 0.225178 0.181239 0.0247079
+335 2 0.233854 0.18251 0.00296297
+336 2 0.190507 0.180799 0.0241577
+337 1 0.0479088 0.334574 0.0193485
+338 2 0.0211782 0.342509 0.00632182
+339 2 0.0786057 0.341611 0.00926955
+340 1 0.0290724 0.39183 0.12716
+341 2 0.0627071 0.398181 0.130564
+342 2 0.0303815 0.380109 0.10637
+343 1 0.350227 0.486243 0.0888869
+344 2 0.316403 0.491614 0.0855604
+345 2 0.350077 0.461852 0.097034
+346 1 0.11031 0.476367 0.0072137
+347 2 0.0751769 0.478049 0.010077
+348 2 0.122678 0.465531 0.0262219
+352 1 0.151529 0.336158 0.0746847
+353 2 0.175054 0.320137 0.0843795
+354 2 0.136133 0.319047 0.0598373
+355 1 0.0314896 0.359998 0.0727788
+356 2 0.0391826 0.349293 0.0518582
+358 1 0.279634 0.415207 0.0790207
+359 2 0.273347 0.440481 0.0748253
+360 2 0.250687 0.403122 0.0728377
+361 1 0.089539 0.464596 0.169
+362 2 0.0582662 0.475724 0.164906
+363 2 0.108609 0.472918 0.150596
+4412 2 0.0087311 0.264052 0.127325
+365 2 0.0408382 0.476438 0.228362
+367 1 0.0790499 0.314269 0.267303
+368 2 0.0837678 0.340233 0.263944
+369 2 0.0440562 0.313561 0.266225
+370 1 0.17407 0.407134 0.233503
+371 2 0.152751 0.396198 0.217775
+372 2 0.165828 0.432808 0.231786
+373 1 0.125908 0.485327 0.312843
+374 2 0.154971 0.484598 0.324928
+376 1 0.130678 0.380134 0.187923
+377 2 0.150813 0.3882 0.170289
+378 2 0.112229 0.359464 0.18099
+382 1 0.0621886 0.428894 0.216934
+383 2 0.0757281 0.442616 0.199047
+384 2 0.0371548 0.412695 0.209797
+385 1 0.078378 0.388225 0.268992
+386 2 0.0765179 0.401681 0.249707
+387 2 0.0650529 0.404611 0.284428
+390 2 0.212949 0.369268 0.319338
+394 1 0.160216 0.476775 0.210976
+396 2 0.140808 0.467929 0.193305
+400 1 0.148382 0.302636 0.306669
+401 2 0.116378 0.304718 0.296709
+402 2 0.171646 0.310783 0.291305
+406 1 0.174341 0.389608 0.291389
+407 2 0.17813 0.396456 0.269757
+408 2 0.140263 0.38542 0.293165
+487 1 0.196872 0.389943 0.0559455
+488 2 0.181762 0.368785 0.0661742
+489 2 0.215519 0.378537 0.0385366
+511 1 0.239612 0.476031 0.158792
+512 2 0.268928 0.461279 0.152577
+513 2 0.245074 0.482187 0.180706
+522 2 -0.00217373 0.394199 0.0416424
+526 1 0.138431 0.490881 0.122428
+527 2 0.158765 0.473107 0.113188
+595 1 0.052054 0.437324 0.316895
+596 2 0.0256768 0.453548 0.310282
+597 2 0.0811064 0.451182 0.313111
+888 2 0.180799 0.00464262 0.234711
+2417 2 0.499278 0.450589 0.207837
+901 1 0.188434 0.022386 0.200875
+902 2 0.218643 0.014287 0.190731
+903 2 0.176389 0.0430463 0.187753
+1012 1 0.00791953 0.153943 0.0997165
+1013 2 0.0297409 0.135803 0.10814
+1015 1 0.361699 0.13888 0.0121059
+1016 2 0.384624 0.121013 0.005797
+1017 2 0.378711 0.154904 0.025009
+1021 1 0.420403 0.156631 0.108422
+1022 2 0.409786 0.167894 0.0893764
+1023 2 0.43308 0.175871 0.121151
+1024 1 0.413083 0.00981824 0.0352376
+1025 2 0.387148 0.0176066 0.0475112
+1026 2 0.398269 0.00870841 0.0149576
+1027 1 0.149652 0.00584256 0.00548473
+1028 2 0.116491 0.00172594 0.00864652
+1029 2 0.159602 0.0225218 0.0215045
+1033 1 0.276395 0.168452 0.172948
+1034 2 0.285807 0.143043 0.176077
+1035 2 0.275142 0.175353 0.194396
+1036 1 0.189257 0.148286 0.146247
+1037 2 0.174515 0.139673 0.165188
+1038 2 0.220448 0.15659 0.152555
+1042 1 0.323324 0.0105161 0.191174
+1044 2 0.318763 0.0290397 0.175317
+1045 1 0.363158 0.201753 0.201333
+1046 2 0.360832 0.196225 0.179343
+1047 2 0.396717 0.208627 0.205181
+1048 1 0.302156 0.0609836 0.149822
+1049 2 0.32691 0.0757532 0.140026
+1050 2 0.287189 0.0484854 0.132881
+1052 2 0.237095 -0.00207017 0.089196
+1062 2 0.204957 0.0362031 0.321679
+1071 2 0.492543 0.157331 0.32689
+1072 1 0.454876 0.109442 0.267658
+1073 2 0.477547 0.0897926 0.266275
+1074 2 0.433994 0.108077 0.249233
+1177 1 0.406913 0.247818 0.0405261
+1178 2 0.441523 0.250245 0.0432507
+1179 2 0.398199 0.259853 0.0212043
+1180 1 0.159209 0.192666 0.099009
+1181 2 0.145973 0.1757 0.0834246
+1182 2 0.163601 0.178847 0.118377
+1183 1 0.329053 0.33907 0.0408857
+1184 2 0.335055 0.319662 0.0557226
+1185 2 0.358081 0.35361 0.0420063
+1186 1 0.267452 0.257587 0.0224408
+1187 2 0.256557 0.249519 0.0425878
+1188 2 0.251625 0.242181 0.00786372
+1189 1 0.300475 0.308619 0.123928
+1190 2 0.320604 0.299945 0.106891
+1191 2 0.314009 0.296958 0.142322
+1195 1 0.133862 0.143653 0.0549747
+1196 2 0.146513 0.125889 0.06919
+1197 2 0.11622 0.131207 0.0388948
+1198 1 0.379111 0.187664 0.0607858
+1199 2 0.391087 0.21068 0.0529557
+1200 2 0.346383 0.191409 0.0659149
+1201 1 0.239259 0.355655 0.20716
+1202 2 0.213355 0.370547 0.215989
+1203 2 0.221548 0.34295 0.190606
+1204 1 0.259084 0.43138 0.277669
+1205 2 0.229679 0.425044 0.288585
+1206 2 0.274762 0.407761 0.274851
+1207 1 0.38357 0.259773 0.277924
+1208 2 0.388092 0.233378 0.279437
+1209 2 0.410124 0.270938 0.266754
+1210 1 0.436444 0.323824 0.258913
+1211 2 0.441198 0.315741 0.237545
+1212 2 0.421381 0.347546 0.257606
+1213 1 0.3107 0.371974 0.286865
+1214 2 0.341712 0.379025 0.279293
+1215 2 0.314727 0.368717 0.309068
+1216 1 0.233951 0.232471 0.0824226
+1217 2 0.206223 0.217514 0.0874319
+1218 2 0.259573 0.219829 0.0926251
+1219 1 0.134851 0.0676879 0.168544
+1220 2 0.113433 0.0501691 0.15931
+1221 2 0.121344 0.0699697 0.189599
+1222 1 0.38171 0.223603 0.138738
+1223 2 0.359762 0.214104 0.123016
+1224 2 0.399035 0.243303 0.12873
+1240 1 0.284488 0.184354 0.232445
+1241 2 0.284135 0.195144 0.252728
+1242 2 0.315675 0.191774 0.224843
+1243 1 0.235946 0.236874 0.186823
+1244 2 0.24853 0.215466 0.176703
+1245 2 0.259591 0.255614 0.18434
+1267 1 0.250823 0.126971 0.312276
+1268 2 0.218962 0.124358 0.303146
+1269 2 0.273973 0.122473 0.295751
+1327 1 0.340678 0.285806 -0.00117031
+1328 2 0.308276 0.276012 0.00401518
+1329 2 0.340459 0.307597 0.0121554
+1346 2 0.362788 0.433367 -0.0016891
+1351 1 0.314897 0.438446 0.148535
+1352 2 0.349714 0.441947 0.152185
+1353 2 0.309327 0.411777 0.146613
+1354 1 0.389171 0.495838 0.0317295
+1355 2 0.373709 0.479039 0.0168165
+1356 2 0.375585 0.489035 0.0522426
+1357 1 0.399687 0.457683 0.173878
+1358 2 0.429183 0.446731 0.181301
+1359 2 0.379363 0.45904 0.192202
+1360 1 0.463587 0.317105 0.00096127
+4546 1 0.0141296 0.479632 0.0208795
+1368 2 0.215874 0.420361 0.0202931
+1369 1 0.39586 0.362408 0.177968
+1370 2 0.422923 0.376059 0.185152
+1371 2 0.369778 0.371058 0.190985
+1372 1 0.246639 0.474264 0.227911
+1373 2 0.248584 0.458097 0.245812
+1374 2 0.212661 0.471893 0.221685
+1375 1 0.329872 0.386573 0.214534
+1376 2 0.32337 0.411393 0.209603
+1377 2 0.299495 0.375435 0.210264
+1378 1 0.338098 0.269696 0.174525
+1379 2 0.35399 0.253255 0.160379
+1380 2 0.337301 0.258954 0.194856
+4923 2 0.049623 0.0517758 0.245306
+1387 1 0.217381 0.297069 0.102013
+1388 2 0.250648 0.302609 0.108009
+1389 2 0.21863 0.273285 0.0925134
+1390 1 0.197 0.408733 0.150587
+1391 2 0.206247 0.434617 0.151903
+1392 2 0.228392 0.396877 0.149907
+1495 1 0.413821 0.414909 0.0377347
+1496 2 0.422255 0.391246 0.0452229
+1497 2 0.434962 0.421764 0.0211795
+1510 1 0.24486 0.349955 0.0168797
+1511 2 0.277306 0.349951 0.025483
+1512 2 0.237192 0.324559 0.0134803
+1528 1 0.256106 0.480796 0.0661569
+1529 2 0.237851 0.500845 0.0755419
+1530 2 0.260944 0.485687 0.0437174
+1552 1 0.342983 0.459659 0.225565
+1553 2 0.308983 0.462881 0.227153
+1554 2 0.357798 0.480712 0.234932
+1555 1 0.281414 0.372311 0.150813
+1556 2 0.265336 0.357642 0.166038
+1557 2 0.295603 0.355556 0.136512
+1576 1 0.322647 0.45117 0.328826
+1577 2 0.30737 0.435034 0.314352
+1876 1 0.310749 0.0384214 0.250686
+1877 2 0.326466 0.0515667 0.233859
+1878 2 0.306094 0.0137743 0.242566
+1879 1 0.442007 0.037419 0.326611
+1880 2 0.461599 0.0560914 0.317041
+1881 2 0.424997 0.0261244 0.309215
+1882 1 0.434249 0.0348129 0.226037
+1883 2 0.464548 0.0433867 0.217431
+1884 2 0.443795 0.0104798 0.232426
+1885 1 0.395016 0.100394 0.226606
+1886 2 0.3674 0.104391 0.213602
+1887 2 0.405662 0.0748723 0.224634
+1897 1 0.383803 0.125164 0.304582
+1898 2 0.354936 0.124559 0.291028
+1899 2 0.410736 0.118255 0.29129
+1915 1 0.385549 0.00466564 0.288742
+1916 2 0.369961 0.0129018 0.270464
+4547 2 0.000896589 0.45518 0.0230773
+2022 2 0.417281 0.0567225 0.00432295
+2044 1 0.363403 0.0980628 0.119914
+2045 2 0.349971 0.0975464 0.0988521
+2046 2 0.388071 0.116928 0.1183
+2056 1 0.481885 0.0484505 0.0812402
+2057 2 0.461152 0.032403 0.0691399
+2060 2 0.386057 0.000877025 0.107264
+2062 1 0.494222 0.106636 0.110624
+2063 2 0.470963 0.125067 0.106386
+2064 2 0.482853 0.0842139 0.100551
+2072 2 0.490411 0.139933 0.283173
+4922 2 0.0133507 0.0729599 0.265874
+2185 1 0.500111 0.273673 0.0440737
+2186 2 0.490734 0.290683 0.0287065
+2188 1 0.42469 0.349092 0.0548111
+2189 2 0.440145 0.330941 0.0420044
+2190 2 0.429654 0.344331 0.0765312
+2191 1 0.49545 0.195534 0.140843
+2192 2 0.497786 0.221861 0.139162
+2197 1 0.422485 0.283545 0.117484
+2198 2 0.455889 0.283962 0.112367
+2199 2 0.416773 0.30916 0.119493
+2209 1 0.351756 0.283714 0.0801627
+2210 2 0.377817 0.284109 0.0951518
+2211 2 0.364033 0.267936 0.0642268
+2212 1 0.423141 0.279676 0.334224
+2213 2 0.410186 0.278929 0.313561
+2218 1 0.457424 0.214993 0.201461
+2219 2 0.488398 0.218027 0.21301
+2220 2 0.467505 0.202772 0.182256
+2224 1 0.496975 0.126385 0.16858
+2225 2 0.490299 0.113024 0.149307
+2226 2 0.491894 0.151958 0.162721
+2227 1 0.299867 0.190748 0.113121
+2228 2 0.287761 0.171202 0.100259
+2229 2 0.296418 0.183547 0.134695
+2230 1 0.411564 0.193031 0.283082
+2231 2 0.446068 0.195421 0.282609
+2232 2 0.404802 0.170552 0.294069
+2233 1 0.470515 0.409595 0.301299
+2234 2 0.444914 0.39586 0.29168
+2235 2 0.463842 0.412799 0.323355
+2251 1 0.277687 0.213522 0.288861
+2252 2 0.285292 0.237584 0.29783
+2253 2 0.29209 0.197788 0.304669
+2353 1 0.468518 0.439758 0.0999409
+2354 2 0.433938 0.435009 0.100584
+2355 2 0.472046 0.463807 0.090928
+2368 1 0.484189 0.476212 0.0138157
+2370 2 0.455439 0.489959 0.0192514
+2371 1 0.376669 0.415524 0.0926547
+2372 2 0.385382 0.416843 0.0704405
+2373 2 0.343861 0.406449 0.090917
+2374 1 0.408105 0.354143 0.117601
+2375 2 0.406322 0.358235 0.139386
+2376 2 0.396339 0.376662 0.108812
+2393 2 0.489058 0.313973 0.181185
+2395 1 0.440134 0.286669 0.202499
+2396 2 0.441979 0.259644 0.199897
+2397 2 0.413909 0.295755 0.189513
+2416 1 0.480064 0.430599 0.200734
+4921 1 0.0264391 0.0494859 0.261872
+2419 1 0.394202 0.395176 0.255049
+2420 2 0.410496 0.416976 0.248358
+2421 2 0.368293 0.392362 0.240133
+2564 2 0.398067 0.492147 0.147763
+3047 2 0.466692 0.0987121 0.00852785
+4551 2 0.0746614 0.493281 0.100469
+3425 2 0.490831 0.32933 0.281275
+4045 1 0.0941326 0.244446 0.0867622
+4046 2 0.116391 0.225371 0.09339
+4047 2 0.0972115 0.264577 0.101585
+4074 2 0.0046183 0.0105131 0.257845
+4078 1 0.0056359 0.0672401 0.190978
+4550 2 0.0770787 0.463751 0.0762964
+4080 2 0.0135683 0.0426391 0.197752
+4096 1 0.0453139 0.133522 0.25693
+4097 2 0.0525252 0.156595 0.246878
+4098 2 0.0505579 0.138639 0.278671
+4231 1 0.0577914 0.197508 0.22705
+4232 2 0.0846158 0.214105 0.231566
+4233 2 0.0296561 0.213618 0.224439
+4234 1 0.0258871 0.231531 0.155398
+4235 2 0.0488677 0.211459 0.154279
+4236 2 0.0426411 0.250396 0.167245
+4264 1 0.0210078 0.181809 0.311072
+4549 1 0.0641702 0.488632 0.0791948
+4378 1 0.115699 0.430933 0.0619621
+4379 2 0.146712 0.419667 0.06193
+4380 2 0.0944524 0.411201 0.0570563
+4548 2 0.0224176 0.48713 0.0416453
+4402 1 0.00405557 0.495214 0.152395
+92 2 0.0792665 0.055122 0.32966
+1061 2 0.15589 0.0395366 0.334922
+1578 2 0.326983 0.474109 0.318898
+2033 2 0.504656 0.0139922 -0.00281118
+2502 2 0.496943 0.436656 -0.00147279
+37 1 0.201085 0.170439 0.353279
+38 2 0.226951 0.158556 0.341596
+39 2 0.191324 0.191352 0.340033
+49 1 0.0917671 0.125253 0.340153
+55 1 0.254712 0.113665 0.396669
+56 2 0.236389 0.0983689 0.383046
+57 2 0.286184 0.103056 0.39987
+70 1 0.119517 0.0652439 0.395973
+71 2 0.149164 0.0517673 0.394741
+72 2 0.110189 0.0624061 0.417661
+73 1 0.026823 0.141454 0.50057
+74 2 0.0165585 0.122307 0.514804
+75 2 0.040634 0.130127 0.482166
+76 1 0.205709 0.162657 0.450018
+77 2 0.179671 0.178798 0.442762
+78 2 0.211485 0.143623 0.434714
+79 1 0.244855 0.0760948 0.52309
+80 2 0.256263 0.0861304 0.502945
+81 2 0.240121 0.0504514 0.51862
+82 1 0.0884836 0.0503941 0.516731
+83 2 0.110625 0.0290876 0.513717
+84 2 0.0636982 0.0430977 0.53159
+85 1 0.0717504 0.127767 0.437715
+86 2 0.0589749 0.151952 0.441413
+87 2 0.0953606 0.1295 0.420971
+2427 2 0.479492 0.493397 0.476444
+98 2 0.111949 0.117296 0.655029
+103 1 0.0465274 0.0214925 0.58715
+104 2 0.0711363 0.0354424 0.599013
+105 2 0.021755 0.0189888 0.603238
+106 1 0.194248 0.132062 0.545904
+107 2 0.214539 0.113944 0.535727
+108 2 0.16253 0.120782 0.545757
+112 1 -0.000663269 0.189383 0.557957
+4626 2 0.0182135 0.423614 0.467861
+141 2 0.0163911 0.0762858 0.574327
+201 2 0.149119 0.232834 0.334888
+223 1 0.0103052 0.15635 0.367851
+225 2 0.043643 0.150284 0.366567
+229 1 0.0660805 0.255484 0.420338
+230 2 0.0581783 0.273164 0.404547
+231 2 0.0658363 0.269904 0.439694
+242 2 0.00163673 0.239091 0.417447
+247 1 0.0180935 0.282791 0.52995
+248 2 0.0452354 0.282795 0.544669
+4473 2 0.0513191 0.322185 0.570289
+250 1 0.0868648 0.28996 0.570172
+251 2 0.104594 0.279942 0.587891
+252 2 0.1129 0.299311 0.556377
+253 1 0.146477 0.322728 0.532978
+254 2 0.172277 0.339747 0.537838
+255 2 0.141056 0.320982 0.510652
+256 1 0.130951 0.149651 0.390364
+257 2 0.15798 0.160595 0.379144
+258 2 0.114376 0.136363 0.373995
+262 1 0.0393842 0.191703 0.444628
+263 2 0.0406637 0.196076 0.466955
+264 2 0.0590197 0.209677 0.434237
+268 1 0.00401135 0.351107 0.62365
+270 2 0.0220793 0.340399 0.640543
+271 1 0.0797596 0.158925 0.648686
+272 2 0.0927015 0.177283 0.634537
+273 2 0.0497904 0.151514 0.638176
+274 1 0.114916 0.217887 0.611866
+275 2 0.101708 0.206415 0.592788
+276 2 0.149824 0.216106 0.611432
+283 1 0.041056 0.217735 0.500694
+284 2 0.0234063 0.231399 0.516178
+285 2 0.03894 0.192057 0.505859
+388 1 0.225061 0.356908 0.33796
+389 2 0.196501 0.354893 0.351083
+391 1 0.207021 0.418378 0.479639
+392 2 0.216989 0.39277 0.477192
+393 2 0.217015 0.428579 0.458883
+397 1 0.20702 0.474347 0.34398
+398 2 0.207563 0.449509 0.351559
+399 2 0.227826 0.488241 0.358155
+409 1 0.0778657 0.39505 0.489671
+410 2 0.10463 0.381348 0.481014
+411 2 0.0524232 0.377492 0.485389
+413 2 0.0548238 0.490238 0.508895
+415 1 0.265271 0.333002 0.52895
+416 2 0.297557 0.322792 0.527867
+417 2 0.247623 0.316634 0.515559
+418 1 0.181683 0.399815 0.537541
+419 2 0.183911 0.404846 0.514755
+420 2 0.147176 0.400327 0.543618
+421 1 0.13863 0.423933 0.419718
+422 2 0.108612 0.410323 0.418579
+423 2 0.133941 0.442858 0.434683
+424 1 0.0583231 0.297037 0.468344
+425 2 0.0557484 0.281467 0.486789
+426 2 0.0380866 0.317733 0.473806
+430 1 0.134195 0.342673 0.470813
+431 2 0.111128 0.325118 0.463847
+432 2 0.151899 0.350377 0.452791
+433 1 0.198814 0.446776 0.655539
+434 2 0.2134 0.451798 0.635917
+435 2 0.214842 0.424767 0.661457
+442 1 0.130186 0.37323 0.647753
+443 2 0.111001 0.394328 0.6413
+444 2 0.119184 0.352714 0.635073
+448 1 0.200435 0.299798 0.622793
+449 2 0.203156 0.287271 0.642444
+450 2 0.198883 0.279344 0.608488
+457 1 0.100621 0.451638 0.652242
+459 2 0.134892 0.451203 0.652394
+557 2 0.0512881 0.496396 0.456407
+583 1 0.172276 0.484131 0.499665
+584 2 0.189414 0.461813 0.496501
+598 1 0.089587 0.471432 0.480698
+599 2 0.12075 0.479372 0.488045
+600 2 0.0937144 0.445126 0.479903
+949 1 0.116767 0.0601568 0.613692
+950 2 0.113743 0.0682577 0.635047
+951 2 0.150295 0.0660432 0.608648
+1057 1 0.3092 0.180119 0.344759
+1058 2 0.306611 0.154839 0.339406
+1059 2 0.295925 0.182226 0.365399
+1060 1 0.187336 0.0305031 0.340704
+2115 2 0.42949 0.00307369 0.638854
+1063 1 0.441083 0.0417242 0.406777
+1064 2 0.450026 0.0637041 0.394875
+1065 2 0.447222 0.0478313 0.428218
+1066 1 0.489841 0.0978813 0.384712
+1067 2 0.471154 0.114122 0.371089
+1069 1 0.473766 0.158692 0.346275
+1070 2 0.472861 0.184109 0.35322
+1078 1 0.39027 0.126508 0.363702
+1079 2 0.418159 0.142291 0.365414
+1080 2 0.383689 0.125147 0.341343
+1081 1 0.3428 0.0873306 0.401675
+1082 2 0.344287 0.0629009 0.392788
+1083 2 0.3604 0.103304 0.386935
+1084 1 0.269342 0.129012 0.482103
+1085 2 0.244497 0.142926 0.470997
+1086 2 0.297993 0.12584 0.469499
+1090 1 0.337596 0.0484536 0.482987
+1091 2 0.310065 0.0368959 0.472803
+1092 2 0.343729 0.0707281 0.470778
+1093 1 0.375777 0.0562746 0.538578
+1094 2 0.348213 0.063172 0.550973
+1095 2 0.361429 0.049026 0.518475
+2093 2 0.486887 0.151013 0.526896
+1102 1 0.0837054 0.0576507 0.454684
+1103 2 0.0834362 0.0558811 0.477682
+1104 2 0.0833958 0.0840751 0.451123
+1105 1 0.170818 0.204332 0.537811
+1106 2 0.18577 0.180588 0.538752
+1107 2 0.137857 0.199547 0.542587
+1108 1 0.195032 0.0894224 0.596702
+1109 2 0.198862 0.105093 0.578253
+1110 2 0.211956 0.101481 0.613982
+1111 1 0.31196 0.0225036 0.646771
+1112 2 0.346549 0.0244149 0.647878
+1113 2 0.298344 0.0460937 0.652973
+1114 1 0.371845 0.105594 0.603213
+1115 2 0.368017 0.107447 0.625234
+1116 2 0.344129 0.0931132 0.594418
+1120 1 0.275758 0.0100584 0.593354
+1121 2 0.286523 0.0159941 0.614095
+1123 1 0.229413 0.00106869 0.53868
+1125 2 0.254569 0.00945909 0.552036
+1126 1 0.301889 0.0727306 0.571222
+1127 2 0.277779 0.0774953 0.555199
+1128 2 0.292786 0.0501747 0.581962
+1129 1 0.280039 0.0885069 0.653984
+1130 2 0.311249 0.0977366 0.66019
+1131 2 0.259928 0.107757 0.646542
+1141 1 0.31706 0.178179 0.662679
+1142 2 0.328173 0.194739 0.646624
+1143 2 0.290163 0.166894 0.65227
+1225 1 0.294341 0.422433 0.381659
+1226 2 0.306755 0.436927 0.364777
+1227 2 0.321703 0.413123 0.39393
+1228 1 0.138653 0.250734 0.367944
+1229 2 0.119402 0.272815 0.371404
+1230 2 0.168737 0.250924 0.379974
+1231 1 0.27354 0.182557 0.399362
+1232 2 0.266233 0.156127 0.399021
+1233 2 0.241573 0.19346 0.400325
+1234 1 0.430601 0.344571 0.358589
+1235 2 0.430381 0.320348 0.349612
+1236 2 0.463233 0.352604 0.35606
+1237 1 0.271883 0.299993 0.358372
+1238 2 0.259674 0.323785 0.35116
+1239 2 0.276638 0.2887 0.338194
+1246 1 0.338393 0.360582 0.344693
+1247 2 0.371847 0.355965 0.350319
+1248 2 0.321987 0.376912 0.358734
+1249 1 0.223551 0.257051 0.39681
+1250 2 0.247998 0.253746 0.41253
+1251 2 0.239669 0.267648 0.378955
+1252 1 0.227557 0.290996 0.484482
+1253 2 0.199117 0.275956 0.48182
+1254 2 0.25398 0.276381 0.476114
+1255 1 0.337222 0.162686 0.525985
+1256 2 0.342966 0.138186 0.518674
+1257 2 0.304243 0.168777 0.51951
+1258 1 0.328266 0.185507 0.447668
+1259 2 0.312897 0.199409 0.46384
+1260 2 0.304845 0.185066 0.430371
+1261 1 0.202827 0.24625 0.58141
+1262 2 0.187072 0.23266 0.564334
+1263 2 0.236142 0.247763 0.573674
+1264 1 0.138397 0.207472 0.426118
+1265 2 0.134787 0.189779 0.409811
+1266 2 0.123208 0.228946 0.417485
+1270 1 0.161193 0.239644 0.47871
+1271 2 0.14738 0.229903 0.459931
+1272 2 0.141615 0.233452 0.496335
+1273 1 0.291042 0.247128 0.557743
+1274 2 0.310814 0.264856 0.547076
+1275 2 0.289373 0.224826 0.546226
+1282 1 0.241821 0.148531 0.627381
+1283 2 0.241458 0.16294 0.60864
+1284 2 0.221143 0.161718 0.642021
+1285 1 0.397349 0.311259 0.633504
+1286 2 0.364366 0.309874 0.62621
+1287 2 0.402182 0.337099 0.638902
+1288 1 0.191707 0.194939 0.665472
+1291 1 0.0918963 0.178457 0.563652
+1292 2 0.0975568 0.153131 0.557543
+1293 2 0.0573008 0.178742 0.55932
+1294 1 0.0817895 0.256725 0.665804
+1296 2 0.0909921 0.242311 0.648026
+1312 1 0.328382 0.228949 0.619292
+1313 2 0.326537 0.254861 0.623956
+1314 2 0.322021 0.229583 0.59739
+1382 2 0.483609 0.497877 0.35026
+1393 1 0.44427 0.428333 0.36028
+1394 2 0.441819 0.453538 0.366204
+1395 2 0.419359 0.415075 0.37072
+1399 1 0.497152 0.360363 0.45269
+1402 1 0.356797 0.500225 0.424497
+1404 2 0.3794 0.499277 0.407279
+1408 1 0.232721 0.444055 0.425257
+1409 2 0.201554 0.434387 0.417815
+1410 2 0.257541 0.437822 0.409573
+1411 1 0.143007 0.333731 0.361302
+1412 2 0.109099 0.335621 0.36585
+1413 2 0.143621 0.322069 0.340822
+1414 1 0.366495 0.400495 0.418329
+1415 2 0.355305 0.39737 0.439781
+1416 2 0.388451 0.379677 0.418868
+1417 1 0.425512 0.476474 0.485362
+1418 2 0.408567 0.463099 0.501307
+1419 2 0.405872 0.474794 0.466772
+1420 1 0.296027 0.486904 0.51508
+1421 2 0.31324 0.463077 0.517331
+1422 2 0.285241 0.48952 0.492841
+1423 1 0.268418 0.396071 0.557969
+1424 2 0.276089 0.375102 0.545193
+1425 2 0.23716 0.403885 0.549494
+1426 1 0.450044 0.381684 0.503009
+1427 2 0.465626 0.404612 0.507177
+1428 2 0.462393 0.37441 0.482883
+1429 1 0.362832 0.438247 0.518215
+1430 2 0.350715 0.415687 0.510748
+1431 2 0.384366 0.433725 0.535097
+1432 1 0.240252 0.354046 0.458243
+1433 2 0.23323 0.34528 0.437158
+1434 2 0.235095 0.332547 0.471252
+1435 1 0.195696 0.32885 0.410472
+1436 2 0.174518 0.334538 0.392407
+1437 2 0.207799 0.304583 0.404684
+1438 1 0.332284 0.381335 0.472169
+1439 2 0.299345 0.373253 0.468537
+1440 2 0.350686 0.35974 0.477276
+1441 1 0.247368 0.360343 0.613159
+1442 2 0.23897 0.371995 0.593374
+1443 2 0.227704 0.337989 0.612969
+1450 1 0.401247 0.380528 0.65061
+1451 2 0.429081 0.382469 0.664918
+1452 2 0.37203 0.387221 0.661746
+1456 1 0.335631 0.340624 0.584985
+1457 2 0.33197 0.319708 0.571643
+1458 2 0.305155 0.344773 0.595173
+1459 1 0.299239 0.295574 0.635722
+1460 2 0.271667 0.306236 0.625736
+1461 2 0.291776 0.292399 0.657483
+1480 1 0.248927 0.38478 0.66824
+1482 2 0.251908 0.378824 0.646032
+1446 2 0.367847 0.499318 0.655929
+1600 1 0.320192 0.423651 0.606707
+1601 2 0.346051 0.406476 0.609573
+1602 2 0.302697 0.412595 0.589388
+1603 1 0.276959 0.490411 0.4568
+1604 2 0.258894 0.471852 0.445961
+1605 2 0.307745 0.489921 0.446176
+1624 1 0.245538 0.468874 0.608575
+1625 2 0.275236 0.45565 0.608047
+1626 2 0.253846 0.493966 0.607022
+1627 1 0.151443 0.491052 0.591718
+1628 2 0.123494 0.47602 0.587816
+1629 2 0.180244 0.476388 0.589362
+1900 1 0.242175 0.0266431 0.460487
+1901 2 0.245988 0.0182395 0.439189
+1902 2 0.221116 0.00975875 0.47097
+1909 1 0.445422 0.00596807 0.481644
+1910 2 0.470978 0.0145969 0.495525
+1911 2 0.415667 0.0169989 0.488441
+1918 1 0.356305 0.0336846 0.358291
+1919 2 0.348394 0.0480394 0.339948
+1920 2 0.390913 0.0296769 0.356065
+1926 2 0.0859002 0.00925262 0.452253
+2065 1 0.352554 0.242307 0.355499
+2066 2 0.329417 0.256735 0.343653
+2067 2 0.338379 0.217659 0.354625
+2068 1 0.354131 0.115846 0.457793
+2069 2 0.357054 0.106837 0.435992
+2070 2 0.352023 0.142601 0.456886
+2089 1 0.493039 0.158575 0.432992
+2090 2 0.482713 0.140106 0.447516
+2091 2 0.468032 0.176869 0.432772
+2094 2 0.485748 0.111441 0.540298
+2113 1 0.44003 0.0208844 0.623622
+2114 2 0.42361 0.0128905 0.604208
+4472 2 0.021184 0.349431 0.589924
+2120 2 0.395133 0.0205693 0.561729
+2214 2 0.398425 0.266177 0.344963
+2236 1 0.321017 0.272253 0.408103
+2237 2 0.34156 0.256861 0.395374
+2238 2 0.303635 0.28888 0.394584
+2242 1 0.485568 0.254753 0.44849
+2244 2 0.461615 0.236851 0.44326
+2254 1 0.417474 0.204906 0.450045
+2255 2 0.41254 0.215503 0.470782
+2256 2 0.38548 0.195637 0.44443
+2257 1 0.386175 0.219538 0.503047
+2258 2 0.412996 0.212405 0.515922
+2259 2 0.363295 0.201213 0.509359
+2260 1 0.269151 0.208304 0.511655
+2261 2 0.27379 0.229909 0.498894
+2262 2 0.234951 0.20469 0.512426
+2264 2 0.478418 0.0402752 0.606238
+2265 2 0.478403 0.0727374 0.583396
+2272 1 0.388909 0.168651 0.575937
+2273 2 0.380814 0.146863 0.586368
+2274 2 0.370517 0.170362 0.557209
+2275 1 0.463878 0.0990649 0.470551
+2276 2 0.476534 0.110914 0.489685
+2277 2 0.429043 0.0965598 0.473208
+2278 1 0.305636 0.256053 0.467262
+2279 2 0.331981 0.269424 0.47679
+2280 2 0.313528 0.258998 0.44523
+2281 1 0.431452 0.278839 0.564142
+2282 2 0.441815 0.261892 0.579471
+2283 2 0.448152 0.300885 0.568695
+2290 1 0.486919 0.339145 0.545859
+2291 2 0.465656 0.347567 0.562688
+2292 2 0.46905 0.348093 0.527677
+2295 2 0.49664 0.418307 0.633221
+2299 1 0.444388 0.0928499 0.563111
+2300 2 0.427001 0.108436 0.577928
+2301 2 0.419243 0.0788024 0.552003
+2302 1 0.420547 0.203123 0.633957
+2303 2 0.395214 0.203145 0.618296
+2304 2 0.448544 0.199273 0.620813
+2405 2 0.496775 0.416433 0.390685
+2422 1 0.417947 0.341379 0.421031
+2423 2 0.427903 0.337811 0.39993
+2424 2 0.447494 0.341748 0.432742
+2440 1 0.451215 0.288791 0.495055
+2441 2 0.465745 0.275276 0.477577
+2442 2 0.459283 0.276622 0.514443
+2443 1 0.372186 0.312893 0.473915
+2444 2 0.403592 0.304442 0.48172
+2445 2 0.379815 0.319421 0.452468
+2446 1 0.352023 0.295284 0.534566
+2447 2 0.381551 0.287607 0.545218
+2448 2 0.362177 0.300864 0.513194
+2449 1 0.422588 0.436666 0.566597
+2450 2 0.423264 0.453672 0.58472
+2451 2 0.428661 0.412546 0.575561
+2452 1 0.436932 0.480324 0.611785
+2453 2 0.457605 0.467994 0.627529
+2454 2 0.418653 0.498145 0.623914
+2458 1 0.492994 0.441727 0.527567
+2459 2 0.478706 0.465304 0.523721
+2460 2 0.477875 0.434692 0.547239
+2461 1 0.47941 0.449228 0.65588
+2464 1 0.425218 0.366612 0.585388
+2465 2 0.390842 0.35919 0.585897
+2466 2 0.435314 0.371622 0.606778
+4471 1 0.0336092 0.345314 0.569134
+2635 1 0.335919 0.46263 0.66017
+2636 2 0.331049 0.449038 0.640685
+2933 2 0.499808 0.0184854 0.345913
+3100 1 0.459803 0.189131 0.536427
+3101 2 0.451387 0.186418 0.558206
+3102 2 0.482447 0.209155 0.53378
+3165 2 0.479359 0.0961777 0.655894
+3259 1 0.487944 0.229053 0.348953
+3261 2 0.465478 0.248813 0.348675
+3473 2 0.493864 0.344087 0.659356
+4085 2 0.0155519 0.0484054 0.455685
+4120 1 0.0398422 0.0618123 0.36288
+4121 2 0.0700339 0.0630986 0.373678
+4122 2 0.0175159 0.0746009 0.376036
+4138 1 0.106622 0.103665 0.554346
+4139 2 0.117199 0.0883806 0.571652
+4140 2 0.0935104 0.0878055 0.537958
+4266 2 0.0112113 0.172642 0.331453
+4423 1 0.0553284 0.29859 0.37211
+4424 2 0.035637 0.284379 0.358049
+4425 2 0.0423552 0.323121 0.370788
+4426 1 0.0281815 0.367906 0.360299
+4427 2 0.00165682 0.358201 0.34731
+4428 2 0.041469 0.387294 0.347562
+4429 1 0.0520259 0.39873 0.414936
+4430 2 0.0444376 0.382235 0.397652
+4431 2 0.041706 0.421742 0.405874
+4444 1 0.046453 0.453219 0.377717
+4445 2 0.0659222 0.474239 0.382373
+4446 2 0.0478271 0.447555 0.355875
+4447 1 0.0650227 0.462261 0.571432
+4448 2 0.0726496 0.439055 0.562236
+4449 2 0.0539098 0.477424 0.5546
+4450 1 0.0863151 0.399405 0.551634
+4451 2 0.0820046 0.399828 0.529231
+4452 2 0.0662262 0.379043 0.558488
+4465 1 0.0164701 0.461256 0.620757
+4466 2 0.0407999 0.453475 0.634933
+4467 2 0.0340872 0.459774 0.601444
+585 2 0.188103 0.499049 0.514675
+612 2 0.18346 0.496528 0.651989
+97 1 0.128749 0.0974563 0.665369
+1289 2 0.204392 0.219071 0.670677
+2116 1 0.370786 0.103364 0.666018
+2324 2 0.398885 0.287324 0.662761
+51 2 0.108453 0.103706 0.335381
+2017 1 0.49727 0.177809 0.913568
+99 2 0.15006 0.110397 0.679785
+109 1 0.152285 0.0387753 0.696774
+110 2 0.171526 0.0544702 0.709495
+111 2 0.140056 0.0562501 0.6822
+124 1 0.0012164 0.104927 0.793866
+125 2 0.0168354 0.114791 0.774907
+127 1 0.291689 0.026951 0.870805
+128 2 0.265783 0.0386641 0.882516
+129 2 0.316718 0.0456914 0.873261
+130 1 0.157585 0.0555346 0.825336
+131 2 0.131549 0.0567998 0.809252
+132 2 0.180737 0.0377946 0.816051
+136 1 0.259824 0.0324131 0.71032
+137 2 0.245809 0.0124009 0.721831
+138 2 0.249429 0.0291227 0.689276
+145 1 0.121852 0.0662491 0.884286
+146 2 0.130265 0.0629984 0.862507
+147 2 0.149543 0.0559426 0.89466
+148 1 0.0550167 0.185455 0.998025
+150 2 0.0324286 0.168077 0.987561
+160 1 0.0531503 0.0421111 0.919361
+161 2 0.0285408 0.0294313 0.907584
+162 2 0.0726504 0.0551468 0.904191
+169 1 0.147551 0.174343 0.985265
+171 2 0.119046 0.186335 0.993658
+184 1 0.166992 0.281164 0.985999
+186 2 0.183754 0.258525 0.981749
+187 1 0.139359 0.208133 0.865704
+188 2 0.143131 0.20289 0.888065
+189 2 0.115494 0.227454 0.86274
+265 1 0.0355996 0.233611 0.717047
+266 2 0.0088258 0.217508 0.712377
+267 2 0.0443749 0.245029 0.697836
+289 1 0.138187 0.189534 0.805314
+290 2 0.151038 0.18284 0.824854
+291 2 0.133152 0.214923 0.807015
+292 1 0.0961919 0.325813 0.893432
+293 2 0.121108 0.323388 0.909423
+294 2 0.076718 0.343486 0.904207
+295 1 0.20803 0.277325 0.822505
+296 2 0.197684 0.288434 0.842087
+297 2 0.241989 0.2794 0.82644
+298 1 0.302754 0.201384 0.781362
+299 2 0.30128 0.22768 0.779947
+300 2 0.311414 0.194034 0.760465
+301 1 0.0799298 0.269748 0.799124
+302 2 0.0793792 0.264265 0.821016
+303 2 0.0628295 0.251942 0.787479
+304 1 0.191704 0.193822 0.75329
+305 2 0.165907 0.190321 0.768031
+306 2 0.202948 0.218821 0.753709
+313 1 0.166972 0.304978 0.927723
+314 2 0.162644 0.295458 0.948655
+315 2 0.199844 0.299148 0.922517
+319 1 0.265177 0.281702 0.931149
+320 2 0.283638 0.276173 0.912735
+321 2 0.282197 0.300586 0.942356
+322 1 0.39909 0.304353 0.910445
+323 2 0.376649 0.290506 0.89784
+324 2 0.429129 0.30529 0.899832
+325 1 0.131067 0.35016 0.994771
+326 2 0.157949 0.36458 0.987697
+327 2 0.141471 0.325122 0.991541
+328 1 0.0631495 0.0966265 0.966453
+329 2 0.0384221 0.114238 0.96127
+330 2 0.0633079 0.0788214 0.949497
+331 1 0.0526795 0.149998 0.829517
+332 2 0.0845673 0.148837 0.819999
+333 2 0.0303323 0.133847 0.817832
+438 2 0.00812536 0.406169 0.68035
+439 1 0.0732927 0.489971 0.701449
+454 1 0.0559046 0.417477 0.708144
+455 2 0.0634618 0.442083 0.708122
+456 2 0.0759309 0.407407 0.692835
+458 2 0.0902365 0.466861 0.669405
+463 1 0.131465 0.407451 0.811503
+464 2 0.118936 0.384101 0.816904
+465 2 0.107544 0.418498 0.798097
+466 1 0.219846 0.39172 0.778217
+467 2 0.186415 0.395948 0.781766
+468 2 0.236214 0.411292 0.766988
+472 1 0.141245 0.298964 0.717135
+473 2 0.128429 0.296828 0.737906
+474 2 0.150117 0.324459 0.714851
+475 1 0.0432093 0.323604 0.671054
+476 2 0.052676 0.298299 0.668035
+477 2 0.0370149 0.324568 0.693386
+478 1 0.0988278 0.39695 0.924479
+479 2 0.107327 0.413261 0.941848
+480 2 0.065068 0.389286 0.925488
+481 1 0.01667 0.42766 0.866132
+482 2 0.0199323 0.434945 0.888079
+483 2 0.0474731 0.417842 0.859501
+484 1 0.0110739 0.453244 0.924689
+490 1 0.00831728 0.373204 0.922017
+491 2 0.00309657 0.34753 0.916998
+493 1 0.187792 0.398118 0.904592
+494 2 0.209818 0.39713 0.922667
+495 2 0.154652 0.398822 0.91392
+496 1 0.243258 0.387025 0.954162
+497 2 0.239253 0.39863 0.974992
+498 2 0.268631 0.368782 0.954709
+502 1 0.0115099 0.266722 0.938544
+504 2 0.00505698 0.282219 0.920384
+523 1 0.0972721 0.47055 0.90145
+524 2 0.0634948 0.468738 0.906833
+525 2 0.115635 0.461051 0.918797
+616 1 0.247871 0.485459 0.710695
+617 2 0.225041 0.478471 0.695001
+618 2 0.230924 0.497852 0.727236
+645 2 0.0142844 0.412937 0.732909
+664 1 0.124529 0.470319 0.843428
+665 2 0.123356 0.44649 0.83373
+666 2 0.110938 0.46924 0.864326
+973 1 0.390776 0.0969628 0.85123
+974 2 0.365352 0.0963145 0.867622
+975 2 0.370976 0.10334 0.833128
+988 1 0.00886973 0.00733926 0.970437
+990 2 0.0186708 0.0219681 0.953001
+1009 1 0.355499 0.00469609 0.988238
+1011 2 0.324473 -0.00776711 0.98811
+1132 1 0.175295 0.127387 0.714366
+1133 2 0.152353 0.146703 0.718383
+1134 2 0.175333 0.110564 0.732011
+1135 1 0.21495 0.0170559 0.787046
+1136 2 0.203773 0.00325368 0.769363
+1137 2 0.248213 0.011446 0.786848
+1138 1 0.263225 0.148924 0.734527
+1139 2 0.240704 0.135782 0.721815
+1140 2 0.244566 0.16935 0.74142
+1146 2 0.338898 0.00755412 0.74618
+1147 1 0.0668551 0.023231 0.734159
+485 2 0.0039017 0.436071 0.941008
+1149 2 0.0882094 0.0291812 0.717095
+1150 1 0.247949 0.0743155 0.9272
+1151 2 0.230137 0.0958795 0.919566
+1152 2 0.225263 0.0588665 0.938158
+1153 1 0.184036 0.120178 0.846241
+1154 2 0.173682 0.0970923 0.836754
+1155 2 0.202118 0.133593 0.830862
+1156 1 0.227514 0.229557 0.967024
+1157 2 0.210886 0.212232 0.953961
+1158 2 0.245303 0.246421 0.953538
+1165 1 0.419433 0.270181 0.961722
+1166 2 0.410622 0.284808 0.94333
+1167 2 0.390796 0.265522 0.974365
+1172 2 0.0911126 -0.000280342 0.91063
+1174 1 0.382652 0.0898656 0.943053
+1175 2 0.356011 0.0885124 0.928596
+1176 2 0.402344 0.108868 0.933926
+1192 1 0.34672 0.185558 0.941299
+1193 2 0.322004 0.186667 0.956688
+1194 2 0.374545 0.176145 0.951769
+1276 1 0.20872 0.263685 0.679146
+1277 2 0.191333 0.275771 0.695819
+1278 2 0.242014 0.263157 0.687247
+1279 1 0.296383 0.262412 0.696111
+1280 2 0.328111 0.272248 0.689471
+1281 2 0.304751 0.237801 0.702652
+4357 1 0.0621331 0.124963 0.885212
+1290 2 0.177622 0.185432 0.684199
+1295 2 0.110276 0.269107 0.673016
+1297 1 0.217115 0.261116 0.764809
+1298 2 0.208416 0.284014 0.755482
+1299 2 0.208022 0.261157 0.786645
+1300 1 0.230711 0.33135 0.740324
+1301 2 0.216283 0.336608 0.760067
+1302 2 0.209851 0.344778 0.726629
+1303 1 0.311654 0.27038 0.76132
+1304 2 0.316957 0.273143 0.738945
+1305 2 0.276444 0.265889 0.760855
+1306 1 0.308752 0.342221 0.707537
+1307 2 0.321148 0.366381 0.712831
+1308 2 0.28363 0.336421 0.722445
+1309 1 0.363133 0.38259 0.788189
+1310 2 0.364551 0.404273 0.801378
+1311 2 0.33543 0.368408 0.794777
+1315 1 0.176325 0.079558 0.758223
+1316 2 0.143622 0.0775701 0.767284
+1317 2 0.195221 0.0597156 0.76702
+1318 1 0.0970814 0.176234 0.704787
+1319 2 0.0924294 0.170453 0.682583
+1320 2 0.0815165 0.199131 0.709052
+1321 1 0.392571 0.211948 0.802232
+1322 2 0.402572 0.196813 0.784763
+1323 2 0.359379 0.20445 0.804604
+1324 1 0.196813 0.316111 0.871194
+1325 2 0.176725 0.316629 0.889839
+1326 2 0.204608 0.341723 0.867268
+1330 1 0.335534 0.202021 0.72002
+1331 2 0.369399 0.201725 0.724589
+1332 2 0.329833 0.193054 0.698959
+1333 1 0.481563 0.360566 0.95496
+1335 2 0.487459 0.381661 0.968099
+1336 1 0.238537 0.152674 0.806243
+1337 2 0.260911 0.172718 0.802693
+1338 2 0.217878 0.151259 0.788135
+1339 1 0.155106 0.186325 0.926935
+1340 2 0.160183 0.162004 0.919824
+1341 2 0.141704 0.181484 0.947214
+1342 1 0.231069 0.199642 0.873939
+1343 2 0.240626 0.224482 0.877454
+1344 2 0.196406 0.199571 0.869259
+1345 1 0.338648 0.451582 0.995064
+1347 2 0.322352 0.443836 0.97639
+1361 2 0.446061 0.298614 0.989897
+1362 2 0.472781 0.333352 0.984476
+1363 1 0.327817 0.33302 0.953321
+1364 2 0.348174 0.332435 0.935321
+1365 2 0.341557 0.317087 0.968779
+1366 1 0.219816 0.428985 0.998687
+1447 1 0.285461 0.354521 0.814303
+1448 2 0.26666 0.364212 0.797087
+1449 2 0.26513 0.363996 0.831177
+1453 1 0.445097 0.500276 0.700232
+1454 2 0.441456 0.497046 0.72253
+1462 1 0.175503 0.363687 0.700494
+1463 2 0.153739 0.364561 0.682663
+1464 2 0.202445 0.375471 0.690081
+1465 1 0.317076 0.46452 0.878561
+1466 2 0.341768 0.481414 0.885651
+1467 2 0.3286 0.448593 0.86187
+1468 1 0.0729237 0.435354 0.779403
+1469 2 0.0441453 0.425503 0.770197
+1470 2 0.0733217 0.461439 0.777661
+1471 1 0.220937 0.384938 0.851397
+1472 2 0.202938 0.399466 0.836889
+1473 2 0.210003 0.39046 0.872852
+1474 1 0.46396 0.436951 0.843066
+1475 2 0.493864 0.433167 0.831704
+1476 2 0.472815 0.458743 0.854042
+1477 1 0.371754 0.435017 0.829863
+1478 2 0.40703 0.437689 0.832853
+1479 2 0.359712 0.457616 0.820029
+1481 2 0.268069 0.366941 0.679507
+1483 1 0.159826 0.323635 0.785419
+1484 2 0.172398 0.310424 0.802916
+1485 2 0.130498 0.333178 0.793874
+1486 1 0.226768 0.46154 0.82039
+1487 2 0.215821 0.477061 0.837419
+1488 2 0.199194 0.452357 0.809067
+1489 1 0.311226 0.435538 0.937062
+1490 2 0.278762 0.425786 0.939668
+1491 2 0.312704 0.444818 0.915942
+1498 1 0.414634 0.267683 0.8379
+1499 2 0.416477 0.242532 0.830209
+1500 2 0.38812 0.276115 0.825512
+1503 2 0.487584 0.479751 0.94264
+1504 1 0.451878 0.366399 0.844601
+1505 2 0.434039 0.357318 0.862153
+1506 2 0.455009 0.393004 0.845481
+1507 1 0.305409 0.287921 0.822798
+1508 2 0.312312 0.283186 0.801215
+1509 2 0.302092 0.314339 0.822055
+1531 1 0.144012 0.442295 0.961809
+1532 2 0.172766 0.432018 0.971754
+1533 2 0.125651 0.451737 0.979925
+1648 1 0.393192 0.497618 0.770009
+1649 2 0.406142 0.473846 0.763899
+1650 2 0.360423 0.494027 0.776808
+1651 1 0.277872 0.440671 0.754161
+1652 2 0.287918 0.455893 0.771979
+1653 2 0.267159 0.45919 0.739099
+1654 1 0.307398 0.482328 0.798842
+1656 2 0.279585 0.471773 0.808994
+1676 2 0.261809 0.488447 0.871435
+1972 1 0.339632 0.0518489 0.734097
+1973 2 0.309132 0.0473668 0.723383
+1974 2 0.342187 0.0782978 0.734917
+1979 2 0.304383 0.0102929 0.822986
+1981 1 0.19796 0.0213347 0.899011
+1982 2 0.188898 0.0076022 0.91743
+1983 2 0.20756 0.00544782 0.882265
+2018 2 0.486943 0.185522 0.892854
+2020 1 0.413226 0.0820046 0.999064
+2021 2 0.401516 0.0833329 0.977709
+2028 2 0.488761 0.183874 0.999599
+2039 2 0.447883 0.00864223 0.950507
+4356 2 0.0840703 0.337777 0.847277
+2117 2 0.364029 0.120077 0.682562
+2118 2 0.404294 0.0990792 0.668309
+2139 2 0.48007 0.165693 0.693704
+2140 1 0.418073 0.177812 0.750572
+2141 2 0.42677 0.182252 0.729032
+2142 2 0.443936 0.162855 0.759283
+2143 1 0.319691 0.0927086 0.891231
+2144 2 0.292902 0.0893198 0.90713
+2145 2 0.314763 0.117276 0.881579
+2158 1 0.414862 0.0300775 0.704249
+2159 2 0.388947 0.0403871 0.716758
+2160 2 0.428681 0.0506749 0.692669
+2161 1 0.415756 0.0283416 0.921
+2162 2 0.430584 0.0327454 0.900294
+2163 2 0.408717 0.0509573 0.932636
+2164 1 0.210321 0.133151 0.900513
+2165 2 0.225563 0.156146 0.895745
+2166 2 0.195744 0.126247 0.880821
+2173 1 0.426096 0.135533 0.908744
+2174 2 0.416763 0.139196 0.887471
+2175 2 0.453176 0.151192 0.911309
+2176 1 0.311476 0.105742 0.811505
+2177 2 0.281207 0.117959 0.806644
+2178 2 0.324994 0.0983335 0.791761
+2203 1 0.462425 0.199776 0.966387
+2204 2 0.472064 0.192452 0.945161
+2205 2 0.449437 0.224375 0.964673
+2284 1 0.405525 0.341282 0.724951
+2285 2 0.376293 0.336805 0.713256
+2286 2 0.407671 0.322764 0.740936
+2305 1 0.472695 0.269733 0.718487
+2306 2 0.495005 0.251079 0.726987
+2307 2 0.447772 0.267275 0.734684
+2308 1 0.404318 0.267251 0.762927
+2309 2 0.369198 0.269992 0.761799
+2310 2 0.405286 0.245627 0.775732
+2311 1 0.299428 0.152897 0.863079
+2312 2 0.271614 0.169292 0.864024
+2313 2 0.298112 0.14114 0.842724
+2317 1 0.500509 0.282139 0.793012
+2319 2 0.469882 0.294702 0.795451
+2320 1 0.481632 0.132353 0.764916
+2321 2 0.47637 0.124487 0.786367
+2323 1 0.393799 0.276587 0.683463
+4355 2 0.0780754 0.316897 0.816309
+2325 2 0.425599 0.277463 0.693054
+2326 1 0.426762 0.19932 0.69333
+2327 2 0.420277 0.1942 0.671405
+2328 2 0.433679 0.224638 0.696186
+2329 1 0.360394 0.201457 0.882775
+2330 2 0.356327 0.194648 0.904819
+2331 2 0.33853 0.184174 0.872431
+2335 1 0.453358 0.186699 0.859642
+2336 2 0.468123 0.195706 0.840523
+2337 2 0.422696 0.19889 0.863022
+2344 1 0.485894 0.294047 0.876845
+2345 2 0.463756 0.281604 0.862883
+2347 1 0.350201 0.124259 0.739021
+2348 2 0.37019 0.145232 0.745127
+2349 2 0.317822 0.134795 0.73652
+2350 1 0.390646 0.394439 0.965333
+2351 2 0.4093 0.372853 0.961033
+2352 2 0.359558 0.390614 0.956197
+2462 2 0.465538 0.460857 0.674274
+2470 1 0.344129 0.413342 0.709108
+2471 2 0.373697 0.421283 0.71923
+2472 2 0.318086 0.422991 0.721915
+2490 2 0.491229 0.341899 0.75758
+2491 1 0.414034 0.427161 0.75221
+2492 2 0.442386 0.412583 0.747057
+2493 2 0.392564 0.410012 0.763814
+2494 1 0.453089 0.353597 0.784474
+2495 2 0.419139 0.360395 0.783009
+2496 2 0.459159 0.357357 0.80698
+2500 1 0.497071 0.410509 0.996197
+4354 1 0.0826536 0.341053 0.824861
+2515 1 0.328033 0.265637 0.883342
+2516 2 0.322804 0.272583 0.862009
+2517 2 0.344196 0.242437 0.879401
+2539 1 0.44011 0.452026 0.938365
+2540 2 0.414331 0.45596 0.92336
+2541 2 0.426485 0.435901 0.954521
+2637 2 0.32747 0.446602 0.677527
+2982 2 0.460541 0.0125478 0.722291
+2989 1 0.470731 0.117164 0.82199
+2990 2 0.445051 0.11166 0.836236
+2991 2 0.500288 0.119539 0.833212
+3001 1 0.448973 0.0417175 0.865137
+3002 2 0.427912 0.0612508 0.858956
+3003 2 0.478861 0.0513184 0.858238
+3163 1 0.467591 0.0820639 0.673774
+3164 2 0.48839 0.0614754 0.672466
+3667 1 0.472852 0.366391 0.691401
+3668 2 0.448408 0.356204 0.704828
+4499 2 0.0164092 0.353744 0.804483
+4135 1 0.0947528 0.0573587 0.783589
+4136 2 0.0667897 0.0560898 0.797419
+4137 2 0.0883174 0.0416801 0.765773
+4359 2 0.0624555 0.135051 0.864007
+4159 1 0.012072 0.0372184 0.81876
+4160 2 0.00313012 0.0634266 0.817146
+4358 2 0.0873103 0.106793 0.886191
+4201 1 0.0298018 0.204338 0.87969
+4202 2 0.0367958 0.191869 0.899078
+4203 2 0.0392328 0.187614 0.863002
+4207 1 0.0558222 0.258172 0.991455
+4208 2 0.037735 0.264353 0.972656
+4209 2 0.057003 0.231603 0.992363
+4327 1 0.0298732 0.215912 0.775454
+4328 2 0.0349846 0.189583 0.775377
+4329 2 0.0343604 0.224177 0.753438
+4330 1 0.041688 0.134124 0.744445
+4331 2 0.0239035 0.121663 0.727755
+4332 2 0.0646425 0.148806 0.7328
+4333 1 0.0280219 0.316755 0.734595
+4334 2 0.0318493 0.291654 0.740076
+4335 2 0.0185272 0.330154 0.752872
+4344 2 0.0165654 0.0233758 0.746544
+4351 1 0.0752099 0.265637 0.859232
+4352 2 0.0807706 0.287771 0.871199
+4353 2 0.0520495 0.251077 0.870613
+170 2 0.143114 0.148423 0.986569
+1367 2 0.224731 0.456406 1.00045
+46 1 0.124685 0.969761 0.183342
+47 2 0.151356 0.985158 0.190307
+48 2 0.12337 0.94891 0.197749
+65 2 0.0365665 0.990095 0.221868
+66 2 0.0791404 0.989124 0.197168
+67 1 0.0960286 0.986815 0.282416
+68 2 0.0668413 0.989445 0.270279
+69 2 0.0933146 0.962424 0.292335
+135 2 0.231019 0.971494 0.0095551
+349 1 0.217916 0.532499 0.123061
+350 2 0.227352 0.512087 0.137101
+351 2 0.240724 0.552222 0.127915
+366 2 0.0289412 0.504884 0.203628
+375 2 0.118107 0.509332 0.306068
+395 2 0.15018 0.502627 0.212541
+508 1 0.097937 0.60912 0.0899246
+509 2 0.0701228 0.625572 0.0887139
+510 2 0.110475 0.615064 0.110507
+517 1 0.283283 0.588803 0.140364
+518 2 0.268825 0.609934 0.150926
+519 2 0.294171 0.571194 0.156498
+528 2 0.159681 0.511357 0.125017
+529 1 0.0709477 0.570398 0.165867
+530 2 0.0488138 0.587419 0.175053
+531 2 0.093218 0.585165 0.153796
+532 1 0.204745 0.724215 0.23106
+533 2 0.202514 0.748772 0.238622
+534 2 0.171758 0.716039 0.231951
+535 1 0.266971 0.591668 0.255425
+536 2 0.257259 0.616083 0.249923
+537 2 0.300991 0.596804 0.258966
+538 1 0.116148 0.625261 0.204804
+539 2 0.0807201 0.626367 0.203926
+540 2 0.12555 0.622112 0.18349
+541 1 0.254476 0.662327 0.2449
+542 2 0.286663 0.670419 0.251513
+543 2 0.235115 0.683842 0.241809
+544 1 0.134411 0.54831 0.207357
+545 2 0.155287 0.569011 0.207102
+546 2 0.109386 0.553437 0.19252
+547 1 0.140117 0.620732 0.143885
+548 2 0.163907 0.614042 0.127751
+549 2 0.144854 0.646814 0.145776
+550 1 0.0780536 0.552761 0.259708
+551 2 0.0636756 0.530069 0.252302
+552 2 0.102171 0.556409 0.244013
+553 1 0.117719 0.693161 0.291345
+554 2 0.105233 0.669029 0.296005
+555 2 0.116609 0.693748 0.268844
+565 1 0.21579 0.69185 0.305331
+566 2 0.181064 0.696697 0.306183
+567 2 0.220322 0.665977 0.308775
+568 1 0.0235908 0.62543 0.192321
+569 2 0.00521951 0.634521 0.174618
+575 2 0.0760473 0.613383 0.331324
+594 2 0.0206547 0.526289 0.329263
+673 1 0.0742828 0.850687 0.0532604
+674 2 0.0574966 0.865103 0.0383725
+675 2 0.052049 0.847616 0.0699087
+676 1 0.0722239 0.792232 0.132935
+677 2 0.0883897 0.814267 0.140266
+678 2 0.0397846 0.790852 0.140959
+679 1 0.166204 0.689314 0.139427
+680 2 0.15799 0.68694 0.117859
+681 2 0.194853 0.704643 0.137581
+682 1 0.141313 0.687231 0.082933
+683 2 0.121821 0.70842 0.0867143
+684 2 0.127123 0.678606 0.0638342
+685 1 0.236317 0.721793 0.113583
+686 2 0.256199 0.703274 0.103496
+687 2 0.222803 0.740101 0.0992472
+691 1 0.118176 0.676249 0.0212193
+692 2 0.102277 0.659107 0.00735641
+693 2 0.117163 0.700126 0.0116903
+694 1 0.189544 0.627541 0.00992692
+695 2 0.171479 0.605441 0.0122744
+696 2 0.166232 0.646566 0.0148969
+697 1 0.201851 0.795285 0.15458
+698 2 0.23438 0.786265 0.156425
+699 2 0.202654 0.812043 0.136627
+701 2 0.00789392 0.792971 0.188607
+703 1 0.0529586 0.74996 0.285104
+704 2 0.0706945 0.727091 0.28699
+705 2 0.0213516 0.741437 0.277116
+706 1 0.299691 0.738008 0.21495
+707 2 0.265755 0.729858 0.213305
+708 2 0.311242 0.726828 0.23432
+709 1 0.0963599 0.718429 0.173792
+710 2 0.120716 0.710006 0.159154
+711 2 0.10927 0.741105 0.181156
+721 1 0.0978789 0.80327 0.260837
+722 2 0.0862875 0.783172 0.273796
+723 2 0.132668 0.800272 0.259551
+730 1 0.283988 0.731949 0.281662
+731 2 0.31141 0.727715 0.295017
+732 2 0.259387 0.713946 0.286464
+1994 2 0.0378865 0.995879 0.00506993
+739 1 0.052902 0.802673 0.204698
+740 2 0.0811249 0.800666 0.191425
+741 2 0.0693888 0.799642 0.224895
+762 2 0.0580741 0.766043 0.319349
+820 1 0.195219 0.831883 0.104445
+821 2 0.186212 0.851287 0.0907183
+822 2 0.192234 0.808703 0.0940465
+823 1 0.4034 0.781065 0.0449533
+824 2 0.409694 0.763484 0.0615736
+825 2 0.387271 0.765185 0.0293367
+829 1 0.22199 0.807001 0.00233624
+830 2 0.206627 0.821021 0.0188293
+840 2 0.105856 0.552555 0.0229457
+841 1 0.168307 0.851758 0.0343679
+842 2 0.170387 0.869493 0.0179324
+843 2 0.13543 0.851567 0.0405911
+847 1 0.292073 0.768563 0.160948
+848 2 0.295383 0.759835 0.182522
+849 2 0.296193 0.746794 0.148278
+850 1 0.295233 0.84331 0.175459
+851 2 0.311077 0.85612 0.157638
+852 2 0.291432 0.816928 0.169964
+853 1 0.139062 0.956403 0.124298
+854 2 0.132017 0.966329 0.144964
+855 2 0.165782 0.970769 0.114594
+860 2 0.0884721 0.819302 0.00557298
+862 1 0.194494 0.868306 0.224875
+863 2 0.216586 0.87792 0.209493
+864 2 0.162812 0.8706 0.215602
+865 1 0.0181963 0.702256 0.135564
+866 2 0.0414359 0.707479 0.151173
+867 2 -0.00130188 0.722882 0.130614
+868 1 0.13061 0.840749 0.165179
+869 2 0.144669 0.86543 0.162531
+870 2 0.155909 0.825187 0.157771
+871 1 0.122909 0.924962 0.22856
+872 2 0.0992301 0.905999 0.235253
+873 2 0.139623 0.932885 0.247272
+874 1 0.0324565 0.890642 0.146889
+875 2 0.0454077 0.902194 0.127992
+876 2 0.0604878 0.883008 0.158329
+877 1 0.169556 0.898089 0.161664
+878 2 0.203006 0.905912 0.166712
+879 2 0.155951 0.916245 0.146694
+880 1 0.145523 0.768489 0.195861
+881 2 0.16561 0.774422 0.178308
+882 2 0.158739 0.781073 0.212754
+886 1 0.183417 0.991901 0.254717
+887 2 0.149813 0.992166 0.260641
+889 1 0.0972058 0.918564 0.300257
+890 2 0.0767323 0.903778 0.287067
+891 2 0.0827734 0.91809 0.321079
+895 1 0.38953 0.865229 0.314575
+896 2 0.419095 0.864578 0.326579
+897 2 0.365822 0.873192 0.329399
+898 1 0.291963 0.977956 0.308516
+907 1 0.066898 0.873917 0.255627
+908 2 0.0788965 0.849769 0.260239
+909 2 0.0378295 0.865492 0.245017
+911 2 0.177804 0.849305 0.319433
+991 1 0.113632 0.93566 0.0358935
+992 2 0.0962204 0.958455 0.0288213
+993 2 0.14597 0.944648 0.0413733
+997 1 0.206595 0.946709 0.0446861
+998 2 0.229662 0.926868 0.0461461
+999 2 0.206583 0.95966 0.0645349
+1030 1 0.340661 0.92771 0.0864313
+1031 2 0.364542 0.946771 0.0916019
+1032 2 0.337447 0.930393 0.063737
+1544 2 0.489024 0.498524 0.264903
+1051 1 0.213437 0.990131 0.105049
+1053 2 0.231277 0.986927 0.124677
+1054 1 0.272845 0.965806 0.251492
+1055 2 0.238376 0.971026 0.252607
+1056 2 0.281514 0.964507 0.273693
+1075 1 0.258405 0.914333 0.178889
+1076 2 0.282838 0.918223 0.194373
+1077 2 0.280959 0.90662 0.163022
+1159 1 0.322562 0.940505 0.0268868
+1160 2 0.353429 0.937119 0.0174848
+1161 2 0.300876 0.952156 0.0127242
+1348 1 0.319976 0.546387 0.0369963
+1349 2 0.312365 0.552493 0.0159848
+1350 2 0.351365 0.535359 0.0362789
+899 2 0.268655 0.997846 0.308373
+1493 2 0.216225 0.515719 0.0135627
+1513 1 0.415432 0.596299 0.0596038
+1514 2 0.395252 0.612763 0.0477134
+1515 2 0.402436 0.595737 0.0807737
+1516 1 0.256278 0.594696 0.0575311
+1517 2 0.258046 0.612174 0.0406676
+1518 2 0.282416 0.577279 0.0561938
+1519 1 0.318643 0.536218 0.175208
+1520 2 0.328196 0.539331 0.196308
+1521 2 0.345158 0.526107 0.163639
+1522 1 0.447618 0.530256 0.0720038
+1523 2 0.426967 0.514431 0.0600088
+1524 2 0.441839 0.554251 0.0637656
+1525 1 0.370524 0.679196 0.103442
+1526 2 0.341057 0.671861 0.0931895
+1527 2 0.357157 0.689919 0.122734
+1534 1 0.194995 0.548025 0.0334537
+1535 2 0.164452 0.549248 0.0449694
+1536 2 0.21762 0.564553 0.0436875
+1537 1 0.368859 0.585482 0.112728
+1538 2 0.380335 0.563687 0.122375
+1539 2 0.334908 0.584508 0.118641
+1540 1 0.351306 0.675641 0.249825
+1541 2 0.356478 0.651428 0.258716
+1542 2 0.376614 0.691972 0.256788
+1543 1 0.481716 0.511906 0.283606
+1545 2 0.46597 0.533203 0.27587
+1546 1 0.453729 0.630098 0.215823
+1547 2 0.428587 0.646269 0.208111
+1548 2 0.482432 0.644926 0.215538
+1549 1 0.389788 0.675371 0.195072
+1550 2 0.374214 0.673713 0.215309
+1551 2 0.396222 0.70127 0.193004
+1558 1 0.356358 0.606013 0.270183
+1559 2 0.348238 0.602374 0.292674
+1560 2 0.385698 0.592106 0.265288
+1561 1 0.212508 0.575973 0.303731
+1562 2 0.228755 0.585008 0.284745
+1563 2 0.234727 0.556431 0.31015
+1570 1 0.273429 0.520141 0.312433
+1571 2 0.282587 0.518293 0.29114
+4879 1 0.0676794 0.922595 0.0959419
+1579 1 0.299241 0.527218 0.254212
+1580 2 0.276685 0.510991 0.243079
+1581 2 0.285757 0.551862 0.253576
+1663 1 0.367145 0.653358 0.0295221
+1664 2 0.379865 0.677583 0.0334261
+1665 2 0.332077 0.656295 0.0285605
+1681 1 0.282407 0.667011 0.0793705
+1682 2 0.267817 0.646134 0.0889262
+1683 2 0.278759 0.667829 0.057251
+1684 1 0.201975 0.626936 0.0991763
+1685 2 0.184876 0.646619 0.0888085
+1686 2 0.215007 0.609724 0.0840485
+1687 1 0.457006 0.743902 0.133589
+1688 2 0.46084 0.770527 0.13163
+1689 2 0.471679 0.738211 0.153441
+1690 1 0.427451 0.723639 0.075976
+1691 2 0.445032 0.731316 0.0944122
+1692 2 0.405883 0.705803 0.0858849
+1693 1 0.392123 0.846221 0.0697005
+1694 2 0.396986 0.821062 0.0612956
+1695 2 0.402608 0.846405 0.0914039
+1696 1 0.268496 0.663428 0.0194193
+1698 2 0.23461 0.659185 0.0177048
+1702 1 0.17073 0.740144 0.00244455
+364 1 0.0330842 0.502106 0.225812
+1705 1 0.410159 0.863208 0.235083
+1706 2 0.388085 0.845691 0.243923
+1707 2 0.415471 0.882241 0.250042
+1708 1 0.17292 0.871688 0.289216
+1709 2 0.147643 0.889687 0.292712
+1710 2 0.179298 0.869399 0.266918
+1711 1 0.417781 0.782675 0.305163
+1712 2 0.398176 0.801279 0.295071
+1713 2 0.415217 0.789675 0.327141
+1714 1 0.39328 0.749957 0.194576
+1715 2 0.359238 0.748617 0.198978
+1716 2 0.401037 0.772255 0.183968
+1717 1 0.43461 0.910167 0.279337
+1718 2 0.447856 0.926028 0.294822
+1719 2 0.41759 0.890734 0.290031
+1720 1 0.31912 0.695789 0.151247
+1721 2 0.346711 0.688687 0.163487
+1722 2 0.294767 0.681454 0.162003
+1723 1 0.248278 0.659264 0.179134
+1724 2 0.221044 0.670632 0.169539
+1725 2 0.238852 0.652305 0.199965
+1726 1 0.353561 0.810752 0.260683
+1727 2 0.331794 0.83174 0.260092
+1728 2 0.333296 0.790285 0.254865
+1731 2 0.470511 0.76999 0.297807
+1732 1 0.165437 0.765952 0.317573
+1733 2 0.133251 0.756403 0.317575
+1734 2 0.163987 0.789416 0.328161
+1740 2 0.422945 0.66675 0.31485
+1741 1 0.355018 0.730018 0.320511
+1743 2 0.378788 0.749446 0.317444
+1744 1 0.339078 0.612316 0.32671
+1746 2 0.366443 0.627345 0.332654
+1747 1 0.41578 0.730059 0.248897
+1748 2 0.412588 0.739173 0.227708
+1749 2 0.422557 0.751585 0.260962
+1831 1 0.354801 0.73497 0.0116094
+1833 2 0.320287 0.734628 0.0140696
+1850 2 0.376896 0.810545 0.00100293
+1852 1 0.333615 0.888344 0.133583
+1853 2 0.332353 0.903017 0.114354
+1854 2 0.367475 0.888336 0.138735
+1855 1 0.461331 0.962027 0.232119
+1856 2 0.450222 0.953587 0.251876
+1857 2 0.470151 0.939484 0.222329
+1858 1 0.49122 0.974597 0.0448624
+4904 2 0.00890618 0.835513 0.21086
+1860 2 0.461341 0.988206 0.0416491
+1861 1 0.248734 0.982941 0.163559
+1862 2 0.273923 0.993146 0.176983
+1863 2 0.244621 0.957603 0.169366
+1867 1 0.319948 0.839972 0.0268561
+1868 2 0.300028 0.820548 0.0350969
+1869 2 0.340029 0.849141 0.0439358
+1870 1 0.189826 0.76976 0.0752271
+1871 2 0.193589 0.769149 0.0530553
+1872 2 0.158507 0.759409 0.078847
+1873 1 0.295647 0.865237 0.232903
+1874 2 0.262639 0.866333 0.239405
+1875 2 0.294548 0.85633 0.21122
+1888 1 0.196168 0.797614 0.244726
+1889 2 0.201321 0.821902 0.236675
+1890 2 0.21805 0.795431 0.262211
+1891 1 0.332425 0.93152 0.216125
+1892 2 0.335089 0.907822 0.226467
+1893 2 0.313574 0.946915 0.230877
+1894 1 0.242127 0.790404 0.295817
+1895 2 0.212221 0.781594 0.304783
+1896 2 0.261308 0.768799 0.292304
+1912 1 0.454709 0.952841 0.32653
+1914 2 0.434199 0.969987 0.316357
+1917 2 0.361911 0.995113 0.302494
+1993 1 0.060469 0.991731 0.0223014
+1995 2 0.04516 1.00458 0.0395158
+2059 1 0.400949 0.977491 0.11076
+2061 2 0.400787 0.972773 0.132956
+2366 2 0.489025 0.599578 0.201264
+2542 1 0.483397 0.555004 0.143741
+2543 2 0.452584 0.544068 0.138411
+4881 2 0.0758837 0.916657 0.074552
+2545 1 0.451813 0.646778 0.116755
+2546 2 0.446547 0.62557 0.12955
+2547 2 0.420479 0.657448 0.112215
+2548 1 0.447434 0.678082 0.283417
+2549 2 0.438472 0.697878 0.26914
+2550 2 0.481686 0.682782 0.287573
+2551 1 0.442583 0.576952 0.256906
+2552 2 0.465369 0.588537 0.27089
+2553 2 0.442919 0.593027 0.239255
+2563 1 0.392962 0.51622 0.138231
+2565 2 0.3824 0.510989 0.116956
+2570 2 0.484283 0.602993 0.32679
+2668 1 0.484134 0.724871 0.0156204
+2669 2 0.483659 0.750984 0.0112271
+2670 2 0.465803 0.721824 0.0348912
+2690 2 0.474149 0.871537 0.00382498
+2692 1 0.437723 0.819454 0.189593
+2693 2 0.425144 0.833943 0.206356
+2694 2 0.466231 0.806478 0.195964
+2707 1 0.490195 0.632998 0.0610512
+2708 2 0.462577 0.615759 0.0584761
+2709 2 0.482097 0.647123 0.0796906
+2710 1 0.478343 0.791404 0.00990824
+2711 2 0.448517 0.791795 0.0220827
+2860 1 0.397 0.963942 0.176422
+2861 2 0.422474 0.969917 0.19097
+2862 2 0.373043 0.951021 0.189639
+2863 1 0.420178 0.881683 0.149042
+2864 2 0.422798 0.860517 0.162612
+2865 2 0.42667 0.902828 0.162154
+2875 1 0.448844 0.888215 0.036791
+2876 2 0.4228 0.875033 0.0470681
+2877 2 0.461573 0.906436 0.0509241
+2878 1 0.458016 0.918494 0.0984076
+2879 2 0.447593 0.943889 0.094917
+2880 2 0.431985 0.905665 0.109744
+2896 1 0.471393 0.901383 0.199119
+2897 2 0.4492 0.888451 0.212912
+2900 2 0.496446 0.922978 0.167676
+2901 2 0.49205 0.928329 0.131202
+3907 1 0.466406 0.813004 0.127084
+4880 2 0.0919801 0.938408 0.105599
+3909 2 0.466165 0.817788 0.149348
+4403 2 -0.00537776 0.52033 0.155046
+4543 1 0.109774 0.547998 0.0592866
+4544 2 0.102413 0.569954 0.0711002
+4545 2 0.0915212 0.528214 0.0689494
+4570 1 0.122353 0.6933 0.230298
+4571 2 0.128397 0.667931 0.226129
+4572 2 0.107572 0.701781 0.21108
+4708 1 0.0924313 0.773051 0.0257853
+4709 2 0.118723 0.761552 0.0152851
+4710 2 0.0637534 0.762805 0.0173955
+4711 1 -0.00032321 0.747324 0.00815586
+4712 2 -0.00215447 0.727882 0.0232336
+4720 1 0.0268275 0.654021 0.0882348
+4721 2 0.00878194 0.659471 0.0687706
+4722 2 0.0282017 0.674214 0.10314
+4768 1 0.0715208 0.629499 0.2973
+4769 2 0.0427346 0.643031 0.290599
+4770 2 0.0713184 0.607712 0.28436
+4855 1 0.0955748 0.750245 0.0863667
+4856 2 0.0882399 0.76402 0.0681897
+4857 2 0.0869261 0.764603 0.104117
+4873 1 0.049283 0.896549 0.00691213
+4874 2 0.0204128 0.911011 0.00819205
+4875 2 0.0735741 0.912589 0.0172928
+89 2 0.164788 0.948357 0.334648
+900 2 0.296175 0.969966 0.330054
+838 1 0.0984133 0.548724 0.00119764
+2712 2 0.484261 0.816217 0.00379194
+88 1 0.191618 0.957008 0.346507
+2590 1 0.427199 0.501517 0.377261
+90 2 0.187404 0.983195 0.346685
+117 2 0.0181219 0.946837 0.424299
+412 1 0.0406141 0.504806 0.525114
+414 2 0.0521678 0.528478 0.519647
+556 1 0.0333027 0.509628 0.440751
+558 2 0.0551108 0.511423 0.423278
+559 1 0.244861 0.592059 0.388131
+560 2 0.27921 0.587217 0.390725
+561 2 0.231033 0.570276 0.398063
+562 1 0.151054 0.67022 0.381799
+563 2 0.1514 0.65036 0.366861
+564 2 0.177305 0.664025 0.396462
+574 1 0.0788934 0.600157 0.351174
+576 2 0.114294 0.601999 0.354782
+577 1 0.0959205 0.518295 0.390405
+578 2 0.124555 0.51832 0.377435
+579 2 0.0690344 0.525366 0.37606
+580 1 0.131606 0.573247 0.42824
+581 2 0.163996 0.563112 0.430518
+582 2 0.115557 0.553253 0.417248
+4812 2 0.00242647 0.662382 0.620984
+586 1 0.218733 0.551635 0.440559
+587 2 0.221292 0.564231 0.460387
+588 2 0.23704 0.529371 0.44389
+589 1 0.146177 0.640433 0.590342
+590 2 0.121289 0.622013 0.591595
+591 2 0.130041 0.66398 0.590825
+592 1 0.0330295 0.535749 0.348809
+593 2 0.0414332 0.561225 0.345567
+604 1 0.0897224 0.570248 0.603761
+605 2 0.0596383 0.557145 0.60624
+606 2 0.0984051 0.574152 0.625545
+607 1 0.262535 0.573693 0.652951
+608 2 0.240224 0.593817 0.653929
+610 1 0.179489 0.520808 0.643686
+611 2 0.170105 0.51525 0.622257
+2640 2 0.496739 0.696278 0.627762
+613 1 0.226096 0.714049 0.625381
+614 2 0.241931 0.72392 0.644244
+615 2 0.245414 0.693625 0.617579
+619 1 0.0107968 0.622179 0.505954
+620 2 0.0237557 0.640385 0.492108
+621 2 0.0313552 0.600735 0.507442
+622 1 0.120794 0.572797 0.664768
+2119 1 0.401851 0.997233 0.571866
+624 2 0.145527 0.555405 0.657946
+724 1 0.074923 0.846035 0.344294
+725 2 0.0542381 0.855007 0.360501
+726 2 0.0708403 0.81987 0.344401
+727 1 0.222346 0.724154 0.485347
+728 2 0.208274 0.736024 0.466992
+729 2 0.239096 0.744504 0.495101
+733 1 0.297163 0.754284 0.412813
+734 2 0.274284 0.751202 0.396076
+735 2 0.31783 0.733476 0.411932
+736 1 0.174754 0.606093 0.354303
+737 2 0.20291 0.596261 0.366664
+744 2 0.0142251 0.955741 0.335115
+745 1 0.106887 0.790652 0.457552
+746 2 0.137247 0.78123 0.449447
+747 2 0.0968045 0.777256 0.475931
+748 1 0.105474 0.708816 0.600754
+749 2 0.11487 0.722066 0.619426
+750 2 0.0722491 0.701541 0.604369
+751 1 0.238199 0.801014 0.556368
+752 2 0.250773 0.793118 0.536068
+753 2 0.217948 0.780959 0.563813
+754 1 0.0939368 0.738745 0.503369
+755 2 0.123138 0.740332 0.515535
+756 2 0.0897014 0.715464 0.493172
+757 1 0.187293 0.754486 0.436128
+758 2 0.215481 0.763841 0.425852
+759 2 0.167541 0.747408 0.418307
+760 1 0.063765 0.774507 0.340408
+761 2 0.0521068 0.754085 0.352196
+763 1 0.13512 0.740945 0.387178
+764 2 0.115158 0.751717 0.371357
+765 2 0.139989 0.715038 0.381581
+766 1 0.00216182 0.727116 0.453695
+767 2 0.0026656 0.748633 0.465821
+768 2 0.0265032 0.7116 0.462104
+769 1 0.14898 0.748837 0.644995
+770 2 0.174937 0.733425 0.637847
+778 1 0.179213 0.626259 0.645668
+779 2 0.154544 0.609232 0.651728
+780 2 0.16853 0.634798 0.625422
+781 1 0.178633 0.745108 0.575185
+782 2 0.197497 0.740174 0.594177
+783 2 0.146058 0.735709 0.57927
+892 1 0.21921 0.9024 0.421608
+893 2 0.2229 0.88972 0.401863
+894 2 0.246627 0.893324 0.433806
+1098 2 0.174826 1.00676 0.514104
+904 1 0.221887 0.802686 0.391417
+905 2 0.197016 0.816286 0.402564
+906 2 0.211895 0.798928 0.370242
+910 1 0.167468 0.836833 0.338951
+912 2 0.133944 0.843218 0.342656
+915 2 0.0307643 0.948879 0.485296
+919 1 0.120334 0.931922 0.588308
+920 2 0.120492 0.90941 0.575576
+921 2 0.0914704 0.944541 0.579967
+922 1 0.235535 0.885 0.364629
+923 2 0.218178 0.863664 0.357289
+924 2 0.22176 0.905733 0.354382
+925 1 0.241456 0.900176 0.508162
+926 2 0.257568 0.897213 0.488631
+927 2 0.264077 0.91358 0.521372
+928 1 0.0903742 0.932666 0.415348
+929 2 0.0944207 0.910649 0.428113
+930 2 0.0963494 0.953768 0.428866
+931 1 0.0850011 0.872221 0.453252
+932 2 0.0503398 0.867559 0.450881
+933 2 0.102262 0.850663 0.446478
+934 1 0.160418 0.929721 0.52264
+935 2 0.142874 0.907069 0.518874
+936 2 0.193744 0.924082 0.516312
+937 1 0.0341472 0.95698 0.564419
+938 2 0.00336307 0.957271 0.553708
+939 2 0.0414949 0.981152 0.573891
+943 1 0.0197088 0.990188 0.659613
+944 2 -0.000141212 0.995729 0.641634
+946 1 0.11444 0.864182 0.56538
+947 2 0.118991 0.859097 0.543494
+948 2 0.116207 0.840652 0.574997
+953 2 0.140422 0.825172 0.654063
+954 2 0.150203 0.867219 0.657098
+955 1 0.0260768 0.887451 0.590592
+956 2 0.0524483 0.8718 0.583888
+957 2 0.0324678 0.910804 0.58025
+958 1 0.0289584 0.777772 0.629165
+960 2 0.0143276 0.799626 0.637743
+976 1 0.113098 0.808205 0.609001
+977 2 0.138128 0.789953 0.610627
+978 2 0.0838691 0.796107 0.616535
+1087 1 0.312792 0.933163 0.538558
+1088 2 0.318427 0.937703 0.560811
+1089 2 0.342157 0.942185 0.529138
+1096 1 0.145348 0.994576 0.506851
+1097 2 0.150101 0.969086 0.514161
+1099 1 0.232691 0.968501 0.402482
+1100 2 0.211816 0.965041 0.384457
+1101 2 0.223684 0.947522 0.414813
+1122 2 0.250117 0.992832 0.595804
+1124 2 0.220066 0.979845 0.550535
+1396 1 0.263972 0.512098 0.377096
+1397 2 0.277058 0.520757 0.357766
+1398 2 0.290209 0.510114 0.391453
+1403 2 0.368467 0.51947 0.438244
+1405 1 0.387151 0.558481 0.460297
+1406 2 0.41851 0.569314 0.465263
+1407 2 0.37244 0.574404 0.44492
+1444 1 0.391247 0.519575 0.653374
+2426 2 0.505359 0.530138 0.467207
+1564 1 0.218139 0.652734 0.419217
+1565 2 0.240523 0.659859 0.436077
+1566 2 0.227776 0.627473 0.414234
+1567 1 0.349276 0.587863 0.405349
+1568 2 0.368072 0.576528 0.389114
+1569 2 0.37039 0.607075 0.413222
+1573 1 0.406307 0.629748 0.43543
+1574 2 0.433114 0.641567 0.424894
+1575 2 0.408025 0.63641 0.457156
+1582 1 0.282862 0.657196 0.363166
+1583 2 0.261806 0.645611 0.377693
+1584 2 0.268306 0.680828 0.361035
+1585 1 0.281 0.649808 0.47319
+1586 2 0.297005 0.635362 0.488912
+1587 2 0.25365 0.661022 0.482925
+1588 1 0.153973 0.677431 0.508034
+1589 2 0.176684 0.661252 0.518715
+1590 2 0.177929 0.693731 0.499306
+1591 1 0.360988 0.528907 0.565248
+1592 2 0.351582 0.541358 0.546163
+1593 2 0.354619 0.503259 0.561408
+1594 1 0.236015 0.573078 0.504675
+1595 2 0.269967 0.567507 0.506495
+1596 2 0.222232 0.556844 0.520295
+1597 1 0.217757 0.635322 0.527718
+1598 2 0.22554 0.627925 0.548754
+1599 2 0.224156 0.613797 0.514459
+1606 1 0.226317 0.519746 0.546555
+1607 2 0.237911 0.527044 0.566641
+1608 2 0.254069 0.506848 0.537844
+1609 1 0.393068 0.567125 0.608009
+1610 2 0.395521 0.554256 0.628413
+1611 2 0.382268 0.549617 0.591376
+4961 2 0.0489139 0.73859 0.532778
+1620 2 0.417892 0.611141 0.651844
+1630 1 0.270718 0.540554 0.599014
+1631 2 0.303555 0.541513 0.594025
+1632 2 0.2679 0.551597 0.618643
+1735 1 0.406004 0.74241 0.407123
+1736 2 0.392621 0.722003 0.396418
+1737 2 0.39849 0.739717 0.428563
+1738 1 0.414104 0.657238 0.334799
+1739 2 0.437341 0.638652 0.338851
+1742 2 0.371517 0.712523 0.333742
+1745 2 0.313616 0.624175 0.339329
+1750 1 0.266235 0.731182 0.353715
+1751 2 0.296576 0.731271 0.342285
+1752 2 0.240603 0.733932 0.338493
+1753 1 0.302828 0.825877 0.417884
+1754 2 0.271946 0.82609 0.406879
+1755 2 0.307546 0.799421 0.418337
+1756 1 0.301738 0.752568 0.581825
+1757 2 0.28576 0.733232 0.568949
+1758 2 0.288343 0.775604 0.574259
+1759 1 0.393205 0.7333 0.587771
+1760 2 0.359295 0.737123 0.583542
+1761 2 0.394931 0.723907 0.608987
+1762 1 0.359912 0.712405 0.46849
+1763 2 0.330537 0.698211 0.466551
+1764 2 0.353498 0.731478 0.4836
+1765 1 0.344073 0.865091 0.538536
+1766 2 0.325509 0.845279 0.546463
+1767 2 0.325471 0.886733 0.541625
+1768 1 0.486794 0.655099 0.411922
+1770 2 0.504878 0.650575 0.393274
+1771 1 0.0781407 0.569148 0.504436
+1772 2 0.0987414 0.562908 0.522137
+1773 2 0.101458 0.575399 0.488779
+1774 1 0.253309 0.702009 0.550787
+1775 2 0.25195 0.690082 0.530792
+1776 2 0.219228 0.703708 0.55478
+1777 1 0.286916 0.666472 0.597534
+1778 2 0.279298 0.67947 0.578762
+1779 2 0.273121 0.642083 0.593883
+1786 1 0.318577 0.775493 0.638443
+1787 2 0.316218 0.765704 0.617023
+1788 2 0.333742 0.799163 0.635105
+1789 1 0.495436 0.825246 0.62098
+1790 2 0.502077 0.821794 0.598585
+1791 2 0.489928 0.801699 0.631136
+1792 1 0.23428 0.610924 0.585979
+1793 2 0.20038 0.617683 0.587916
+1794 2 0.237371 0.585764 0.592053
+1795 1 0.13321 0.557371 0.551947
+1796 2 0.116919 0.562782 0.57131
+1797 2 0.153198 0.53715 0.557381
+1800 2 0.28448 0.753279 0.663813
+1814 2 0.290617 0.892218 0.64815
+1816 1 0.395473 0.711719 0.648872
+1817 2 0.376223 0.699092 0.664843
+1818 2 0.427703 0.701179 0.650388
+1903 1 0.39647 0.842766 0.41093
+1904 2 0.391981 0.868682 0.407575
+1905 2 0.363288 0.834113 0.413311
+1906 1 0.43 0.968416 0.400098
+1907 2 0.421769 0.992175 0.408506
+1908 2 0.445816 0.971517 0.380239
+1913 2 0.48312 0.965999 0.332702
+1921 1 0.316678 0.970191 0.369308
+1922 2 0.28884 0.970365 0.383225
+1923 2 0.326812 0.995943 0.368524
+1924 1 0.0942922 0.983608 0.455859
+1925 2 0.109816 0.985982 0.476359
+1927 1 0.429044 0.889728 0.555843
+1928 2 0.40255 0.875688 0.54746
+1929 2 0.426484 0.890016 0.578565
+1930 1 0.364485 0.915961 0.413318
+1931 2 0.340069 0.916009 0.39689
+1932 2 0.394524 0.926298 0.405444
+1933 1 0.39889 0.867392 0.488213
+1934 2 0.3921 0.890971 0.480154
+1935 2 0.378585 0.862918 0.505984
+1936 1 0.277366 0.782322 0.504348
+1937 2 0.271718 0.799493 0.487538
+1938 2 0.311955 0.781315 0.509273
+1939 1 0.155764 0.845194 0.414056
+1940 2 0.161234 0.871217 0.41446
+1941 2 0.124069 0.839539 0.40606
+1942 1 0.297127 0.886201 0.453438
+1943 2 0.30525 0.862219 0.445717
+1944 2 0.320513 0.900957 0.442243
+1945 1 0.245258 0.871121 0.569156
+1946 2 0.237562 0.845023 0.56649
+1947 2 0.232699 0.884561 0.551716
+1948 1 0.151783 0.910483 0.642993
+1949 2 0.138501 0.913914 0.621364
+1950 2 0.141295 0.931427 0.655666
+1957 1 0.438177 0.8851 0.619361
+1958 2 0.459813 0.864274 0.621808
+1959 2 0.458425 0.906286 0.61944
+1960 1 0.250632 0.906338 0.621592
+1961 2 0.253272 0.893673 0.601111
+1962 2 0.221139 0.896325 0.630612
+1963 1 0.137547 0.863473 0.502914
+1964 2 0.114009 0.868114 0.486019
+1965 2 0.169176 0.863412 0.493015
+1966 1 0.207905 0.961774 0.586124
+1967 2 0.224707 0.945961 0.600981
+1968 2 0.173986 0.953576 0.586688
+959 2 0.00676518 0.771285 0.612598
+2121 2 0.403562 0.978695 0.555195
+2131 1 0.406534 0.952953 0.527786
+2132 2 0.41565 0.930806 0.538255
+2133 2 0.417754 0.949792 0.506787
+2154 2 0.473054 0.966051 0.661225
+2155 1 0.348941 0.942158 0.593354
+2156 2 0.335976 0.944861 0.614027
+2157 2 0.368327 0.963603 0.589166
+4962 2 0.00442862 0.713465 0.540409
+2428 1 0.3269 0.554848 0.505831
+2429 2 0.325008 0.528345 0.506291
+2430 2 0.348734 0.557423 0.488259
+2569 1 0.462185 0.599166 0.343881
+2571 2 0.482165 0.587173 0.359046
+2581 1 0.477257 0.549171 0.406512
+2582 2 0.466678 0.568396 0.419938
+2587 1 0.385427 0.560773 0.355477
+2588 2 0.416267 0.571988 0.350528
+2589 2 0.363777 0.57383 0.341826
+2591 2 0.445652 0.517471 0.390418
+2592 2 0.410569 0.518961 0.364289
+2593 1 0.453689 0.551545 0.526426
+2594 2 0.425746 0.536372 0.530257
+2595 2 0.448368 0.576144 0.536378
+2596 1 0.417155 0.637121 0.497395
+2597 2 0.384049 0.638956 0.504696
+2598 2 0.434422 0.629487 0.516025
+2608 1 0.478186 0.574307 0.471769
+2609 2 0.472997 0.569085 0.493955
+2610 2 0.491015 0.598713 0.471354
+2611 1 0.335864 0.62423 0.526097
+2612 2 0.334312 0.597498 0.523557
+2613 2 0.345048 0.626835 0.548276
+2617 1 0.468135 0.613513 0.62068
+2618 2 0.443029 0.596101 0.613854
+2619 2 0.49275 0.612153 0.605071
+2622 2 0.498364 0.737413 0.583388
+2638 1 0.481278 0.680955 0.643151
+2639 2 0.475605 0.65815 0.631994
+2740 1 0.471516 0.871972 0.34276
+2741 2 0.482676 0.896057 0.348273
+2742 2 0.493722 0.855934 0.353095
+2744 2 0.47794 0.778971 0.363857
+2758 1 0.365066 0.69171 0.37807
+2759 2 0.387011 0.675201 0.365992
+2760 2 0.333509 0.680051 0.376125
+2761 1 0.419075 0.795537 0.368496
+2762 2 0.411927 0.776979 0.38438
+2763 2 0.411002 0.816447 0.381857
+2764 1 0.455755 0.705862 0.487018
+2765 2 0.465637 0.680707 0.483594
+2766 2 0.421714 0.707667 0.482095
+2774 2 0.47898 0.775086 0.462973
+2775 2 0.492145 0.7372 0.47436
+2779 1 0.433531 0.808012 0.465741
+2780 2 0.418879 0.828414 0.476854
+2781 2 0.425503 0.812852 0.444094
+2782 1 0.377224 0.776894 0.511738
+2783 2 0.391249 0.785122 0.531327
+2784 2 0.402776 0.781375 0.497049
+2785 1 0.466849 0.712736 0.551997
+2786 2 0.438573 0.721638 0.562754
+2787 2 0.457538 0.716062 0.530477
+2788 1 0.366593 0.837869 0.629095
+2789 2 0.393402 0.85422 0.624459
+2790 2 0.342999 0.852571 0.641082
+2800 1 0.446438 0.613991 0.550265
+2801 2 0.428376 0.629066 0.565583
+2802 2 0.481215 0.615453 0.555638
+2803 1 0.369656 0.633915 0.585473
+2804 2 0.373354 0.614157 0.600461
+2805 2 0.34235 0.648419 0.593501
+2806 1 0.478492 0.767747 0.658604
+2807 2 0.488236 0.750733 0.642392
+2908 1 0.412874 0.937105 0.466963
+2909 2 0.392128 0.936414 0.449042
+2910 2 0.426552 0.961287 0.465409
+2913 2 0.47691 0.950844 0.419365
+2931 2 0.470309 0.898862 0.485269
+2943 2 0.481861 0.89381 0.55049
+2945 2 0.485813 0.818285 0.488763
+2947 1 0.328865 0.897351 0.356229
+2948 2 0.327496 0.923675 0.355552
+2949 2 0.295962 0.889521 0.358947
+2950 1 0.403095 0.799514 0.570246
+2951 2 0.406899 0.774344 0.578282
+2952 2 0.395127 0.813593 0.589005
+4985 2 -0.00328501 0.776953 0.54169
+3644 2 0.491601 0.537944 0.559154
+3645 2 0.483445 0.508232 0.582631
+4591 1 0.0288904 0.603455 0.400332
+4592 2 0.0446503 0.601077 0.380399
+4593 2 0.0494801 0.61496 0.415567
+4594 1 0.0980969 0.636645 0.428659
+4595 2 0.11508 0.613785 0.433822
+4596 2 0.118038 0.649727 0.413805
+4642 1 0.0103639 0.534196 0.613207
+4643 2 0.0133495 0.508821 0.618316
+4649 2 0.0252248 0.541879 0.65078
+4759 1 0.00837732 0.876331 0.38339
+4761 2 0.0159373 0.866212 0.403774
+4765 1 0.0691775 0.81318 0.406616
+4766 2 0.0817853 0.801995 0.425309
+4767 2 0.0508235 0.794666 0.396364
+4783 1 0.0677552 0.674428 0.477434
+4784 2 0.0977569 0.67453 0.489455
+4785 2 0.0747345 0.657986 0.459981
+4798 1 0.0366951 0.717179 0.36849
+4799 2 0.0067577 0.709887 0.359217
+4800 2 0.051347 0.696807 0.378911
+4808 2 0.0278823 0.747414 0.65748
+4810 1 0.0156365 0.686872 0.622572
+4811 2 0.0148875 0.695456 0.644211
+4813 1 0.00214884 0.899892 0.648182
+4814 2 0.012346 0.895318 0.626933
+4815 2 0.0309649 0.902107 0.660787
+4927 1 0.0544457 0.929615 0.357929
+4928 2 0.0347671 0.91009 0.366442
+4929 2 0.0728375 0.934267 0.376983
+4960 1 0.0225064 0.734638 0.547604
+1614 2 0.221826 0.6433 0.669617
+1619 2 0.374512 0.589537 0.661017
+1813 1 0.310532 0.882695 0.665484
+738 2 0.182434 0.601818 0.331758
+118 1 0.111685 0.964917 0.674781
+119 2 0.0769422 0.970368 0.671006
+120 2 0.127643 0.988821 0.676713
+121 1 0.187289 0.984794 0.73559
+122 2 0.168973 0.961998 0.739998
+123 2 0.16978 0.999038 0.719877
+133 1 0.252647 0.982204 0.993822
+134 2 0.231296 0.986067 0.976024
+142 1 0.0549842 0.959978 0.749625
+143 2 0.0446906 0.935472 0.742861
+144 2 0.0502297 0.962932 0.771989
+154 1 0.174034 0.986313 0.948991
+155 2 0.163715 0.995918 0.969109
+156 2 0.146947 0.974529 0.939014
+163 1 0.238644 0.967136 0.851979
+164 2 0.262803 0.986286 0.853928
+165 2 0.253585 0.949386 0.83836
+440 2 0.0882804 0.504069 0.717872
+441 2 0.0473027 0.505861 0.693394
+445 1 0.102612 0.560865 0.737525
+446 2 0.114629 0.581511 0.748553
+447 2 0.0899211 0.543509 0.752663
+469 1 0.152295 0.526647 0.811328
+470 2 0.159723 0.547167 0.823993
+471 2 0.142686 0.506874 0.824418
+505 1 0.00516332 0.5355 0.984963
+506 2 -0.000959238 0.514794 0.998158
+507 2 0.0391554 0.540276 0.986634
+514 1 0.329089 0.515451 0.964561
+515 2 0.30741 0.512703 0.946633
+516 2 0.325403 0.494838 0.979371
+609 2 0.256801 0.558656 0.671081
+625 1 0.153374 0.61793 0.715828
+626 2 0.143098 0.596907 0.703725
+627 2 0.177262 0.608067 0.730205
+628 1 0.125676 0.603614 0.843171
+629 2 0.150856 0.600178 0.858317
+630 2 0.104385 0.622002 0.851914
+631 1 0.199499 0.614424 0.889183
+632 2 0.227834 0.599439 0.89491
+633 2 0.187175 0.629323 0.906283
+634 1 0.292112 0.54474 0.825999
+635 2 0.281637 0.570233 0.823224
+636 2 0.327147 0.544181 0.828183
+637 1 0.282003 0.670257 0.828734
+638 2 0.283462 0.681566 0.849647
+639 2 0.274467 0.690753 0.814989
+640 1 0.218853 0.52249 0.762384
+641 2 0.227187 0.54813 0.761546
+642 2 0.195868 0.518635 0.778943
+646 1 0.0776799 0.511374 0.777407
+647 2 0.048746 0.518309 0.788725
+648 2 0.106224 0.5183 0.789598
+649 1 0.0986901 0.586485 0.916367
+650 2 0.0742031 0.58099 0.901775
+651 2 0.121119 0.567197 0.912677
+652 1 0.0920018 0.61115 0.974119
+653 2 0.091213 0.604284 0.952309
+654 2 0.0977893 0.590018 0.986904
+655 1 0.155016 0.527385 0.898787
+656 2 0.184319 0.522376 0.886668
+657 2 0.132613 0.506642 0.896771
+658 1 0.27373 0.577594 0.906921
+659 2 0.301559 0.594232 0.909668
+660 2 0.282763 0.559824 0.891112
+661 1 0.28244 0.644622 0.962671
+662 2 0.280818 0.618406 0.968714
+663 2 0.296182 0.641782 0.941922
+672 2 0.0340506 0.61724 0.984153
+688 1 0.220265 0.531458 0.943454
+689 2 0.193046 0.521607 0.931172
+690 2 0.234694 0.550508 0.930333
+771 2 0.157377 0.756848 0.666072
+772 1 0.188024 0.683754 0.724983
+773 2 0.168633 0.661527 0.729524
+774 2 0.210872 0.674158 0.70906
+775 1 0.248867 0.728438 0.75073
+776 2 0.242886 0.730982 0.773373
+777 2 0.224874 0.710815 0.742042
+784 1 0.0555579 0.653366 0.704038
+785 2 0.0242805 0.641267 0.701831
+786 2 0.0793553 0.63584 0.696814
+790 1 0.0970658 0.714031 0.715331
+791 2 0.0768093 0.692564 0.713336
+792 2 0.129789 0.705418 0.71586
+793 1 0.0120175 0.727635 0.771185
+794 2 0.022017 0.703035 0.767011
+796 1 0.123281 0.763617 0.830199
+797 2 0.0902623 0.771239 0.825402
+798 2 0.13946 0.761366 0.81059
+799 1 0.132995 0.930165 0.799246
+800 2 0.0985272 0.932759 0.799992
+801 2 0.138524 0.929937 0.821567
+802 1 0.332106 0.599347 0.76527
+803 2 0.361872 0.591317 0.757078
+804 2 0.30846 0.594258 0.749969
+805 1 0.0679453 0.834897 0.768406
+806 2 0.0627714 0.811854 0.757387
+807 2 0.0997519 0.833276 0.777594
+808 1 0.141622 0.613656 0.786119
+809 2 0.135447 0.639675 0.78925
+810 2 0.134335 0.604071 0.806929
+811 1 0.0322862 0.656928 0.766338
+812 2 0.040474 0.652931 0.744852
+813 2 0.00564045 0.64099 0.769752
+814 1 0.186521 0.763605 0.701658
+815 2 0.179581 0.767905 0.723485
+816 2 0.216463 0.749822 0.70212
+817 1 0.1852 0.684099 0.967555
+818 2 0.163381 0.683444 0.950022
+819 2 0.198524 0.660096 0.969641
+826 1 0.144751 0.744178 0.77264
+827 2 0.128313 0.741998 0.753068
+828 2 0.136275 0.722462 0.784686
+831 2 0.200058 0.812611 0.984593
+832 1 0.130933 0.66528 0.921204
+833 2 0.110704 0.677438 0.905812
+834 2 0.117965 0.640581 0.922625
+835 1 0.105513 0.681416 0.796537
+836 2 0.0795287 0.673902 0.782264
+837 2 0.087422 0.684912 0.815696
+1148 2 0.0621477 0.995772 0.735228
+839 2 0.112652 0.525238 0.997421
+856 1 0.164145 0.813348 0.955872
+857 2 0.152073 0.817215 0.934207
+858 2 0.136364 0.817134 0.969929
+859 1 0.0847235 0.833416 0.986794
+861 2 0.0734452 0.857885 0.992896
+940 1 0.0777424 0.892069 0.69059
+941 2 0.101295 0.873734 0.683675
+942 2 0.0980986 0.913761 0.692518
+945 2 -0.000660397 0.992186 0.677869
+952 1 0.143612 0.844774 0.669129
+961 1 0.0351537 0.892754 0.741505
+962 2 0.0470658 0.871457 0.753311
+963 2 0.0519596 0.887573 0.721757
+964 1 0.151531 0.943492 0.858977
+965 2 0.134105 0.957987 0.874572
+966 2 0.184596 0.953044 0.857408
+967 1 0.336143 0.941478 0.858477
+968 2 0.315399 0.937752 0.876809
+969 2 0.35405 0.919078 0.853583
+970 1 0.15412 0.914899 0.73857
+971 2 0.138445 0.91842 0.758917
+972 2 0.157751 0.888329 0.735557
+979 1 0.0494961 0.777525 0.734348
+980 2 0.0285513 0.760116 0.745732
+981 2 0.0706764 0.761769 0.722243
+982 1 0.0505655 0.969466 0.813136
+983 2 0.0405208 0.994884 0.813938
+984 2 0.0465881 0.960457 0.834123
+985 1 0.122052 0.820309 0.903162
+986 2 0.106653 0.797438 0.896722
+987 2 0.131146 0.831307 0.883026
+989 2 0.0133131 0.981924 0.963877
+994 1 0.161482 0.900764 0.985082
+995 2 0.148801 0.918902 0.9993
+996 2 0.142597 0.899511 0.965362
+1000 1 0.152925 0.847228 0.851706
+1001 2 0.182561 0.859101 0.859563
+1002 2 0.157921 0.840137 0.829708
+1003 1 0.00584609 0.730734 0.891708
+1006 1 0.176935 0.751731 0.924563
+1007 2 0.144313 0.747815 0.916501
+1008 2 0.174705 0.772439 0.939024
+1010 2 0.370359 0.996156 0.968893
+1018 1 0.360066 0.971204 0.935265
+1019 2 0.371514 0.992679 0.924617
+1020 2 0.329982 0.963387 0.926772
+1117 1 0.41623 0.972832 0.669503
+1118 2 0.389101 0.958273 0.675901
+1119 2 0.414731 0.99402 0.683127
+1144 1 0.332995 0.981421 0.749692
+1145 2 0.318457 0.979062 0.770328
+1162 1 0.27249 0.945653 0.913243
+1163 2 0.249735 0.9609 0.90284
+1164 2 0.25411 0.926218 0.922871
+1168 1 0.0281831 0.943008 0.952233
+1169 2 0.0526045 0.925183 0.956164
+5033 2 0.00232783 0.848334 0.808573
+1171 1 0.101188 0.975621 0.904121
+1173 2 0.0708662 0.962897 0.904195
+1445 2 0.409253 0.51672 0.67263
+1455 2 0.468247 0.520099 0.696954
+1494 2 0.232925 0.512895 0.976754
+1612 1 0.244698 0.657367 0.682028
+4871 2 0.0132709 0.71784 0.96719
+1615 1 0.431477 0.560707 0.76109
+1616 2 0.418348 0.536362 0.762977
+1617 2 0.453815 0.564435 0.778031
+1618 1 0.405044 0.59725 0.668481
+3018 2 0.495644 0.839749 0.837223
+1621 1 0.472249 0.674773 0.703466
+1622 2 0.465707 0.649025 0.706703
+1623 2 0.479604 0.678196 0.681687
+1633 1 0.340338 0.682978 0.6936
+1634 2 0.355571 0.682999 0.714063
+1635 2 0.313244 0.666521 0.693522
+1636 1 0.400702 0.687419 0.739365
+1637 2 0.408011 0.67571 0.759314
+1638 2 0.430532 0.682421 0.72833
+1639 1 0.387873 0.531264 0.824407
+1640 2 0.390718 0.557008 0.82047
+1641 2 0.401612 0.51782 0.807378
+1645 1 0.446207 0.666958 0.791404
+1646 2 0.429699 0.674892 0.810323
+1647 2 0.478864 0.674579 0.797379
+1655 2 0.300778 0.507415 0.805288
+1657 1 0.27459 0.70304 0.880127
+1658 2 0.246642 0.717947 0.875281
+1659 2 0.277177 0.709862 0.901779
+1660 1 0.280939 0.575907 0.982775
+1661 2 0.302933 0.556143 0.975785
+1662 2 0.248555 0.567277 0.978616
+1666 1 0.32432 0.641411 0.907948
+1667 2 0.354175 0.632968 0.898318
+1668 2 0.305065 0.653684 0.892162
+1669 1 0.387215 0.725936 0.89131
+1670 2 0.407482 0.7252 0.909018
+1671 2 0.360399 0.739437 0.898471
+1672 1 0.491555 0.554469 0.995169
+1673 2 0.4608 0.556191 0.984515
+1674 2 0.503457 0.580272 0.997479
+1675 1 0.239885 0.508327 0.866602
+1677 2 0.258776 0.52065 0.850983
+1678 1 0.385141 0.588934 0.88529
+1679 2 0.376298 0.591868 0.863357
+1680 2 0.417154 0.599619 0.886009
+1697 2 0.276308 0.660963 0.997058
+1699 1 0.25942 0.7198 0.938651
+1700 2 0.251963 0.698938 0.95101
+1701 2 0.228531 0.730797 0.934663
+1704 2 0.180413 0.718789 0.991288
+1780 1 0.312388 0.827997 0.707861
+1781 2 0.281818 0.819775 0.717814
+1782 2 0.30642 0.848613 0.693408
+1798 1 0.27057 0.732694 0.675185
+1799 2 0.299283 0.721658 0.683888
+1801 1 0.162823 0.829353 0.789903
+1802 2 0.166622 0.837654 0.768776
+1803 2 0.17765 0.805552 0.788785
+1804 1 0.268247 0.855554 0.819443
+1805 2 0.254783 0.871687 0.803653
+1806 2 0.260667 0.866328 0.839361
+1807 1 0.391086 0.833199 0.738217
+1808 2 0.393997 0.809468 0.748147
+1809 2 0.360568 0.833337 0.725797
+1810 1 0.450693 0.83647 0.692482
+1811 2 0.451994 0.815224 0.679118
+1812 2 0.423858 0.832778 0.706504
+3017 2 0.498659 0.875258 0.85543
+1815 2 0.322638 0.903532 0.677468
+1819 1 0.219044 0.595097 0.762335
+1820 2 0.186893 0.601209 0.771378
+1821 2 0.24086 0.602964 0.77836
+1822 1 0.4072 0.757965 0.744522
+1823 2 0.398781 0.768492 0.723725
+1824 2 0.41066 0.731185 0.740915
+1825 1 0.464083 0.766562 0.790487
+1826 2 0.440306 0.759976 0.773662
+1827 2 0.449982 0.766585 0.811471
+1828 1 0.293297 0.814593 0.960243
+1829 2 0.293274 0.840576 0.961669
+1830 2 0.271002 0.806121 0.975976
+1832 2 0.361453 0.723054 0.991407
+1834 1 0.37395 0.609804 0.826453
+1835 2 0.38402 0.635154 0.830686
+1836 2 0.357439 0.610165 0.806209
+1837 1 0.491384 0.801368 0.936622
+1838 2 0.470226 0.780544 0.938746
+1840 1 0.353286 0.731606 0.792212
+1841 2 0.321675 0.727546 0.784481
+1842 2 0.372601 0.736821 0.77454
+1843 1 0.243455 0.607753 0.828236
+1844 2 0.220969 0.609748 0.845078
+1845 2 0.261895 0.63031 0.827387
+1846 1 0.364573 0.697197 0.96076
+1847 2 0.339725 0.69935 0.945008
+1848 2 0.367381 0.670364 0.96268
+1849 1 0.37904 0.806251 0.978637
+1851 2 0.345133 0.805182 0.971424
+1864 1 0.424628 0.751786 0.949406
+1865 2 0.410454 0.771152 0.961866
+1866 2 0.407223 0.730291 0.9553
+1951 1 0.435247 0.89422 0.750764
+1952 2 0.459232 0.881813 0.763831
+1953 2 0.419318 0.872562 0.74182
+1954 1 0.327707 0.951372 0.689157
+1955 2 0.314643 0.97302 0.680331
+1956 2 0.330441 0.956424 0.711104
+1969 1 0.245872 0.915192 0.719244
+1970 2 0.211468 0.915347 0.723537
+1971 2 0.25154 0.925772 0.699134
+1975 1 0.334178 0.851589 0.886447
+1976 2 0.356053 0.865229 0.872094
+1977 2 0.331832 0.826511 0.878933
+1978 1 0.312707 0.9905 0.809297
+1980 2 0.328031 0.971952 0.822024
+1984 1 0.245753 0.800349 0.749533
+1985 2 0.270086 0.805561 0.765737
+1986 2 0.248592 0.773756 0.745392
+1987 1 0.170842 0.846323 0.730181
+1988 2 0.165885 0.838742 0.70886
+1989 2 0.196821 0.831167 0.737237
+1990 1 0.245907 0.905013 0.778768
+1991 2 0.254008 0.911605 0.757284
+1992 2 0.21274 0.913049 0.779132
+1996 1 0.112325 0.889462 0.935187
+1997 2 0.110897 0.863 0.934712
+1998 2 0.104673 0.895319 0.913506
+1999 1 0.321706 0.768095 0.918612
+2000 2 0.297532 0.750764 0.924674
+2001 2 0.313785 0.790112 0.92991
+2002 1 0.229898 0.885401 0.938475
+2003 2 0.200016 0.881152 0.949318
+2004 2 0.255173 0.88093 0.953813
+2005 1 0.296841 0.88343 0.980435
+2006 2 0.300311 0.86906 0.999419
+2007 2 0.322009 0.901169 0.980419
+2008 1 0.251691 0.738509 0.810585
+2009 2 0.272102 0.76021 0.807181
+2010 2 0.231037 0.744989 0.828402
+2011 1 0.199449 0.745142 0.863792
+2012 2 0.170398 0.752549 0.853219
+2013 2 0.192482 0.751447 0.885405
+2014 1 0.244405 0.874218 0.873731
+2015 2 0.228012 0.877447 0.893335
+2016 2 0.276847 0.869338 0.881344
+2038 1 0.472102 1.00069 0.965825
+2040 2 0.481068 0.975608 0.961638
+2179 1 0.445928 0.967012 0.858536
+2180 2 0.413407 0.959766 0.864017
+2181 2 0.449438 0.992966 0.862463
+2644 1 0.488024 0.575318 0.82199
+2645 2 0.469045 0.596868 0.825595
+2647 1 0.478852 0.510656 0.862289
+2648 2 0.484843 0.530409 0.847851
+2659 1 0.449751 0.610684 0.720272
+2660 2 0.439172 0.594127 0.737163
+2661 2 0.426982 0.606583 0.703618
+2665 1 0.466647 0.627826 0.872317
+2666 2 0.459546 0.652908 0.867344
+2667 2 0.496849 0.628647 0.884004
+2677 1 0.391146 0.625328 0.971729
+2678 2 0.397613 0.599368 0.96886
+2679 2 0.38854 0.629213 0.994067
+2680 1 0.41141 0.556932 0.959362
+2681 2 0.418648 0.559381 0.937748
+2682 2 0.3858 0.539118 0.960981
+2683 1 0.382864 0.515335 0.892806
+2684 2 0.381538 0.541404 0.890756
+2685 2 0.412221 0.509573 0.881886
+2689 1 0.494292 0.858155 0.988962
+2691 2 0.494439 0.875562 0.972266
+1839 2 0.498118 0.807059 0.957954
+2808 2 0.488193 0.759499 0.679315
+2812 1 0.433069 0.761527 0.847303
+2813 2 0.413206 0.750485 0.862965
+2814 2 0.462733 0.766439 0.858499
+5028 2 0.10145 0.753759 0.866682
+2851 1 0.391942 0.683909 0.837443
+2852 2 0.383219 0.704149 0.824285
+2853 2 0.392018 0.69622 0.857316
+2854 1 0.480801 0.669994 0.971805
+2855 2 0.449033 0.661022 0.967683
+2856 2 0.478188 0.691339 0.984902
+2956 1 0.424728 0.960209 0.772288
+2957 2 0.426101 0.934616 0.765408
+2958 2 0.391478 0.967672 0.768844
+2974 1 0.475344 0.900483 0.69391
+2975 2 0.465591 0.876563 0.687524
+2976 2 0.458478 0.906099 0.712691
+2980 1 0.487655 0.998154 0.731006
+2981 2 0.474381 0.979002 0.744113
+2983 1 0.387377 0.882934 0.842481
+2984 2 0.375594 0.890034 0.821474
+2985 2 0.420101 0.873669 0.839079
+2995 1 0.384071 0.773899 0.686463
+2996 2 0.395326 0.755034 0.671968
+2997 2 0.354912 0.783902 0.676857
+2998 1 0.346974 0.900666 0.789712
+2999 2 0.312745 0.896253 0.786048
+3000 2 0.363967 0.892393 0.771189
+3004 1 0.389746 0.924612 0.974516
+3005 2 0.394751 0.906494 0.95894
+3006 2 0.375635 0.94446 0.963257
+3007 1 0.470768 0.86929 0.91709
+3008 2 0.437351 0.870441 0.924036
+3009 2 0.483024 0.845438 0.922887
+3011 2 0.487254 0.93556 0.873262
+3012 2 0.49238 0.900509 0.894676
+3016 1 0.481322 0.863629 0.838424
+3019 1 0.299081 0.797777 0.798785
+3020 2 0.290278 0.820718 0.809425
+3021 2 0.330559 0.791972 0.807164
+3022 1 0.383446 0.861929 0.93914
+3023 2 0.360507 0.859757 0.922082
+3024 2 0.383482 0.839883 0.95169
+3883 1 0.493143 0.931079 0.969549
+3885 2 0.462463 0.929888 0.97932
+4003 1 0.496429 0.849928 0.779543
+4004 2 0.496355 0.860976 0.800123
+4005 2 0.489141 0.824387 0.783462
+4006 1 0.492596 0.979599 0.808469
+4007 2 0.478782 0.972686 0.828649
+4008 2 0.464955 0.975376 0.793944
+4163 2 -0.000515323 0.975229 0.887343
+4522 1 0.0391789 0.565754 0.871973
+4523 2 0.00872775 0.552762 0.871681
+4524 2 0.0591161 0.55623 0.855425
+4639 1 0.000782115 0.539621 0.738031
+4640 2 0.020323 0.545275 0.720927
+4641 2 0.00354162 0.514325 0.742205
+4648 1 0.0209641 0.541616 0.673486
+4663 1 0.00260082 0.530059 0.812032
+4666 1 0.0587035 0.643427 0.871559
+4667 2 0.0451119 0.618891 0.874453
+4668 2 0.0295307 0.659051 0.870637
+4716 2 0.0179582 0.820652 0.970975
+4807 1 0.0222774 0.728762 0.673894
+4809 2 0.054401 0.724275 0.682552
+4858 1 0.0368942 0.779714 0.818513
+4859 2 0.0291714 0.772104 0.79733
+4860 2 0.00767783 0.780437 0.831773
+4861 1 0.0908855 0.894258 0.873479
+4862 2 0.111947 0.912848 0.864492
+4863 2 0.106144 0.873365 0.863849
+5027 2 0.0635428 0.745549 0.893983
+5005 1 0.0120128 0.933217 0.87103
+5007 2 0.0339061 0.913092 0.872993
+5016 2 0.00269705 0.802132 0.718353
+5026 1 0.0960185 0.754215 0.889195
+670 1 -0.000403896 0.615794 0.984993
+1005 2 0.00108561 0.72713 0.913788
+1492 1 0.235203 0.499939 0.997937
+1703 2 0.194197 0.758093 0.997447
+623 2 0.100091 0.560735 0.679826
+1613 2 0.241627 0.682445 0.675366
+4 1 0.988101 0.277829 0.0441948
+5 2 0.966949 0.298588 0.0457785
+21 2 0.983673 0.0388887 0.0361902
+151 1 0.998593 0.014712 0.094326
+153 2 0.987697 0.0202368 0.115203
+196 1 0.995293 0.253618 0.221793
+197 2 0.966923 0.255343 0.209058
+211 1 0.944408 0.214611 0.117928
+212 2 0.96839 0.221887 0.13332
+213 2 0.959833 0.192514 0.109951
+217 1 0.968063 0.33331 0.325543
+218 2 0.935413 0.32698 0.331468
+219 2 0.969356 0.3326 0.302547
+357 2 0.996731 0.353134 0.077285
+379 1 0.882772 0.396837 0.104156
+380 2 0.864128 0.387024 0.12117
+381 2 0.860175 0.40293 0.0878707
+403 1 0.981163 0.333879 0.26321
+404 2 0.97523 0.360605 0.265389
+405 2 0.962708 0.329632 0.244105
+520 1 0.992435 0.408426 0.02285
+521 2 0.980045 0.391622 0.00724755
+844 1 0.972507 0.0152139 0.153792
+845 2 0.941646 0.0277817 0.155514
+1014 2 0.976495 0.141859 0.0986313
+1039 1 0.598948 0.128297 0.31878
+1040 2 0.623964 0.111024 0.313264
+1384 1 0.535279 0.392886 0.0904662
+1385 2 0.535141 0.384936 0.0688847
+1386 2 0.510086 0.411342 0.0899564
+2023 1 0.701104 0.0940428 0.104676
+2024 2 0.686965 0.110346 0.120044
+2025 2 0.729357 0.107315 0.0963352
+2026 1 0.515391 0.175097 0.0123315
+2027 2 0.519803 0.148986 0.010944
+2029 1 0.646794 0.0400444 0.106822
+2030 2 0.671622 0.0588182 0.103641
+2031 2 0.620093 0.0561024 0.113691
+2032 1 0.521163 0.0325755 0.00915164
+2034 2 0.53515 0.0220252 0.0275116
+2041 1 0.602135 0.180655 0.2226
+2042 2 0.617587 0.170627 0.20457
+2043 2 0.588658 0.159145 0.232277
+2047 1 0.522663 0.00764155 0.152404
+2048 2 0.539607 0.0118125 0.133143
+2050 1 0.592844 0.123653 0.175614
+2051 2 0.59513 0.0990522 0.182217
+2052 2 0.559794 0.128247 0.178861
+2053 1 0.688224 0.135326 0.228244
+2054 2 0.710692 0.124237 0.213227
+2055 2 0.671429 0.114027 0.23582
+2058 2 0.511583 0.0334262 0.0848774
+2071 1 0.509178 0.161109 0.290162
+2073 2 0.541229 0.151997 0.285811
+2074 1 0.669317 0.0816294 0.305188
+2075 2 0.673066 0.0746109 0.327457
+2076 2 0.703268 0.0878654 0.302207
+2080 1 0.516875 0.0519238 0.272205
+2081 2 0.525039 0.0523344 0.250372
+2082 2 0.516662 0.0257643 0.275602
+2083 1 0.511303 0.0792082 0.212282
+2085 2 0.536825 0.0665878 0.202115
+2187 2 0.525175 0.258074 0.0363702
+2193 2 0.527469 0.187638 0.133777
+2194 1 0.583064 0.0863946 0.118186
+2195 2 0.547902 0.0924018 0.119503
+2196 2 0.596844 0.101184 0.134975
+2200 1 0.565961 0.232004 0.0178555
+2202 2 0.550929 0.20784 0.0160122
+2206 1 0.510671 0.285254 0.10428
+2207 2 0.51515 0.28383 0.0820583
+2208 2 0.538456 0.275011 0.114865
+2215 1 0.592758 0.294991 0.245648
+2216 2 0.589248 0.310612 0.227326
+2217 2 0.578627 0.307241 0.263387
+2221 1 0.548755 0.394084 0.237697
+2222 2 0.556191 0.411633 0.254027
+2223 2 0.520355 0.402227 0.226277
+2248 1 0.520132 0.233248 0.291573
+2249 2 0.523344 0.239613 0.269882
+2250 2 0.51888 0.206837 0.291674
+2356 1 0.583686 0.455186 0.154182
+2357 2 0.557893 0.437533 0.154124
+2358 2 0.592789 0.463283 0.133502
+2359 1 0.703242 0.490398 0.130106
+2361 2 0.671647 0.495035 0.121706
+2362 1 0.608618 0.473404 0.0998522
+2363 2 0.590303 0.488899 0.08641
+2364 2 0.621628 0.454656 0.0862079
+2369 2 0.510277 0.489492 0.0243641
+2377 1 0.648455 0.404591 0.16561
+2378 2 0.650628 0.39664 0.14357
+2379 2 0.625124 0.425341 0.165452
+2384 2 0.605351 0.494906 0.166192
+2386 1 0.708008 0.492237 0.21906
+2387 2 0.711898 0.47948 0.239062
+2388 2 0.711651 0.471381 0.203961
+2392 1 0.508814 0.329397 0.167515
+2394 2 0.512622 0.315758 0.148148
+2398 1 0.52084 0.396756 0.155911
+2399 2 0.527032 0.396644 0.133639
+2400 2 0.517759 0.37078 0.159648
+2401 1 0.555675 0.433097 0.289585
+2402 2 0.52461 0.426922 0.297604
+2403 2 0.575803 0.415922 0.300795
+2410 1 0.584687 0.380338 0.324794
+2411 2 0.563303 0.362335 0.315561
+2916 2 0.738109 -0.00477509 0.2793
+2501 2 0.518274 0.403286 0.0125605
+2503 1 0.548092 0.373416 0.0332921
+2504 2 0.525774 0.354004 0.0298645
+2505 2 0.57713 0.365023 0.0230762
+2509 1 0.651412 0.434049 0.054528
+2510 2 0.638927 0.442814 0.0344748
+2511 2 0.685691 0.439882 0.0536675
+2560 1 0.598575 0.489226 0.265299
+2562 2 0.58072 0.471973 0.278523
+2566 1 0.527175 0.487435 0.222041
+2567 2 0.552773 0.490617 0.237003
+2869 1 0.562725 0.0136445 0.086133
+2871 2 0.595171 0.0216297 0.0915315
+2884 1 0.628409 0.0102804 0.224502
+2890 1 0.625783 0.00756706 0.297991
+2891 2 0.647554 0.0275539 0.300321
+2892 2 0.619765 0.000768961 0.319066
+2893 1 0.568836 0.12137 0.244925
+2894 2 0.594622 0.102809 0.246008
+2895 2 0.540688 0.10905 0.238029
+2902 1 0.532598 0.00301913 0.214971
+2903 2 0.527105 0.00469154 0.192764
+2914 1 0.740969 0.0204192 0.272038
+2915 2 0.743614 0.033126 0.292152
+3025 1 0.590514 0.0883158 0.0601392
+3026 2 0.583334 0.087106 0.082333
+3027 2 0.560878 0.0923596 0.0493706
+3028 1 0.586765 0.189274 0.115453
+3029 2 0.61414 0.173906 0.121127
+3030 2 0.584151 0.185963 0.0929894
+3031 1 0.750556 0.0150804 0.0550042
+3032 2 0.718723 0.0238369 0.0486781
+3033 2 0.769939 0.0149521 0.0360014
+3034 1 0.652301 0.123651 0.0151068
+3035 2 0.627081 0.108294 0.023819
+3036 2 0.663484 0.134214 0.0346841
+3037 1 0.567176 0.252982 0.141261
+3038 2 0.594247 0.265888 0.1502
+3039 2 0.579514 0.229098 0.136841
+3040 1 0.876965 0.0857164 0.0582842
+3041 2 0.857135 0.0714089 0.0732737
+3042 2 0.868044 0.0764422 0.0377918
+3046 1 0.501141 0.101826 0.00977205
+3048 2 0.512076 0.0767661 0.0107985
+3049 1 0.786385 0.0403773 0.147619
+3050 2 0.751208 0.0424103 0.149671
+3051 2 0.796191 0.0234508 0.164018
+3052 1 0.725476 0.207142 0.232118
+3053 2 0.702696 0.226118 0.239775
+3054 2 0.706831 0.184151 0.232971
+3055 1 0.843606 0.073813 0.26916
+3056 2 0.830525 0.0978626 0.265426
+3057 2 0.856034 0.0768167 0.290418
+3058 1 0.838155 0.109156 0.202469
+3059 2 0.872843 0.106353 0.197662
+3060 2 0.836215 0.129 0.218144
+3061 1 0.832799 0.153668 0.250224
+3062 2 0.865809 0.151314 0.258842
+3063 2 0.823338 0.178508 0.256757
+3067 1 0.590049 0.051811 0.183935
+3068 2 0.578506 0.0338008 0.16899
+3069 2 0.609528 0.036988 0.198111
+3070 1 0.637913 0.0770939 0.247955
+3071 2 0.648922 0.0759612 0.27001
+3072 2 0.632938 0.0513795 0.242507
+3073 1 0.758523 0.117104 0.285053
+3074 2 0.777436 0.134539 0.297821
+3075 2 0.752844 0.126923 0.264349
+3088 1 0.763187 0.0573315 0.317418
+3089 2 0.765503 0.0812354 0.307046
+3094 1 0.554255 0.0614216 0.327384
+3095 2 0.54128 0.0596287 0.306523
+3096 2 0.562695 0.0864466 0.330563
+3193 1 0.681771 0.16705 0.0587348
+3194 2 0.708259 0.164269 0.0723968
+3195 2 0.673123 0.192158 0.0577495
+3196 1 0.597152 0.33799 0.194795
+3197 2 0.563209 0.340785 0.189186
+3198 2 0.609564 0.362312 0.191177
+3199 1 0.742707 0.302613 0.16448
+3200 2 0.749336 0.276853 0.168054
+3201 2 0.736095 0.313056 0.185015
+3202 1 0.838505 0.304884 0.106567
+3203 2 0.844314 0.315124 0.126835
+3204 2 0.818645 0.321618 0.0952412
+3205 1 0.669267 0.290311 0.103307
+3206 2 0.656774 0.295124 0.124034
+3207 2 0.700989 0.280459 0.105302
+3208 1 0.793543 0.19872 0.00308835
+3209 2 0.799509 0.176085 0.0138745
+3213 2 0.679855 0.222439 0.010588
+3214 1 0.64433 0.295367 0.161505
+3215 2 0.678158 0.291815 0.166994
+3216 2 0.631151 0.314453 0.175627
+3217 1 0.804124 0.221471 0.262578
+3218 2 0.792691 0.236391 0.279838
+3219 2 0.77714 0.219529 0.247665
+3220 1 0.668884 0.44049 0.262184
+3221 2 0.641039 0.45643 0.259453
+3222 2 0.676817 0.441537 0.284177
+3223 1 0.753359 0.22982 0.176759
+3224 2 0.781962 0.215449 0.174735
+3225 2 0.740349 0.220648 0.195933
+3226 1 0.888826 0.211802 0.293433
+3227 2 0.885113 0.190764 0.306697
+3228 2 0.858251 0.215517 0.283044
+3229 1 0.828371 0.341025 0.211501
+3230 2 0.841235 0.316908 0.214298
+3231 2 0.812892 0.34819 0.231467
+3232 1 0.675158 0.139038 0.149327
+3233 2 0.70125 0.133816 0.163821
+3234 2 0.646346 0.134069 0.161082
+3235 1 0.541256 0.233946 0.230776
+3236 2 0.561743 0.255652 0.232222
+3237 2 0.564938 0.2145 0.226415
+3238 1 0.644098 0.179853 0.280763
+3239 2 0.622514 0.165278 0.293884
+3240 2 0.640628 0.171481 0.259432
+3241 1 0.680502 0.266572 0.25461
+3242 2 0.694774 0.283869 0.240094
+3243 2 0.646354 0.272822 0.256975
+3262 1 0.604718 0.24558 0.315804
+3263 2 0.571664 0.247686 0.308103
+3264 2 0.62311 0.230107 0.301653
+3340 1 0.626133 0.345678 0.00781626
+3341 2 0.649772 0.365059 0.00692639
+3342 2 0.643375 0.32345 0.00543312
+3361 1 0.84168 0.447785 0.0538263
+3362 2 0.80741 0.4514 0.0554122
+3363 2 0.856811 0.465272 0.0674314
+3367 1 0.742938 0.353876 0.127294
+3368 2 0.742147 0.331982 0.140208
+3369 2 0.710011 0.356 0.121642
+3370 1 0.775241 0.411672 0.0988526
+3371 2 0.760457 0.391028 0.108097
+3372 2 0.757818 0.414469 0.0795208
+3373 1 0.796035 0.480111 0.124196
+3374 2 0.7929 0.454981 0.11645
+3375 2 0.762849 0.48897 0.123105
+3379 1 0.64203 0.231714 0.052758
+3380 2 0.61199 0.231694 0.0406945
+3381 2 0.63889 0.251172 0.0678864
+3382 1 0.702459 0.314976 0.0482659
+3383 2 0.692056 0.30249 0.0293336
+3384 2 0.683173 0.306955 0.0654993
+3385 1 0.722995 0.443545 0.177727
+3386 2 0.72329 0.458491 0.159113
+3387 2 0.697953 0.424776 0.176306
+3391 1 0.799717 0.367828 0.26723
+3392 2 0.807681 0.353926 0.28631
+3393 2 0.782747 0.389021 0.275876
+3394 1 0.830755 0.36617 0.153587
+3395 2 0.798252 0.362541 0.145412
+3396 2 0.831769 0.357329 0.17495
+3397 1 0.672781 0.463022 0.316917
+3398 2 0.651789 0.471302 0.333729
+3399 2 0.683486 0.485606 0.306724
+3400 1 0.871354 0.243147 0.085207
+3401 2 0.861347 0.266529 0.0937153
+3402 2 0.895869 0.236648 0.100762
+3403 1 0.638764 0.389955 0.10616
+3404 2 0.604945 0.388539 0.105476
+3405 2 0.647544 0.396437 0.085715
+3406 1 0.708826 0.333285 0.21536
+3407 2 0.735256 0.350308 0.21769
+3408 2 0.68259 0.34683 0.225116
+3418 1 0.838361 0.443734 0.316283
+3419 2 0.809745 0.42816 0.314859
+3420 2 0.834758 0.4605 0.298789
+3424 1 0.517475 0.341733 0.290985
+3426 2 0.511477 0.367491 0.289625
+3427 1 0.640442 0.376109 0.246541
+3428 2 0.651993 0.400534 0.248378
+3429 2 0.607186 0.379882 0.24132
+3508 1 0.742279 0.445204 0.0402507
+3509 2 0.727893 0.430617 0.0236269
+3510 2 0.74868 0.469349 0.0309976
+3535 1 0.821233 0.43404 0.181618
+3536 2 0.826319 0.414463 0.166703
+3537 2 0.787545 0.440318 0.18037
+3548 2 0.607891 0.488588 0.00902251
+3564 2 0.821256 0.48782 0.182768
+3865 1 0.65252 0.0211524 0.0413305
+3866 2 0.641828 0.0443023 0.0498175
+3867 2 0.654698 0.0040389 0.0585455
+3869 2 0.641985 0.00939579 0.136263
+3892 1 0.709097 0.0355073 0.179531
+3893 2 0.678837 0.0224687 0.178653
+3894 2 0.728592 0.0254736 0.196055
+3901 1 0.89613 0.0313984 0.233077
+3902 2 0.89614 0.0119678 0.248054
+3903 2 0.881921 0.0527133 0.242602
+4033 1 0.832679 0.257812 0.0260511
+4034 2 0.820236 0.234787 0.0191846
+4035 2 0.847319 0.254402 0.0462409
+4036 1 0.808164 0.0577695 0.0898696
+4037 2 0.794997 0.0514094 0.111103
+4038 2 0.785593 0.0457107 0.0752306
+4039 1 0.918681 0.136737 0.0939535
+4040 2 0.889066 0.148195 0.102001
+4041 2 0.906065 0.113363 0.0854744
+4042 1 0.951516 0.00446237 0.0213059
+2886 2 0.594616 0.00346066 0.225653
+4044 2 0.916727 0.00422994 0.0230061
+4048 1 0.821347 0.138755 0.0325801
+4049 2 0.801086 0.138562 0.051604
+4050 2 0.850548 0.12633 0.0391498
+4057 1 0.873329 0.00209976 0.11582
+4058 2 0.87595 0.0129491 0.136743
+4059 2 0.839987 0.00643038 0.110117
+4060 1 0.839681 0.176723 0.108512
+4061 2 0.846341 0.201021 0.100337
+4062 2 0.832741 0.181334 0.130735
+4063 1 0.934998 0.115356 0.199556
+4064 2 0.960198 0.0966333 0.200445
+4065 2 0.951516 0.137516 0.193026
+4066 1 0.884455 0.0381336 0.171344
+4067 2 0.891524 0.0376074 0.193929
+4068 2 0.861368 0.0580359 0.168404
+4069 1 0.82992 0.184537 0.166581
+4070 2 0.851846 0.195464 0.181874
+4071 2 0.832028 0.158451 0.170498
+4075 1 0.789665 0.0272704 0.216929
+4076 2 0.80912 0.0486195 0.22142
+4077 2 0.768841 0.0250381 0.235557
+4081 1 0.925443 0.14769 0.257125
+4082 2 0.935172 0.133066 0.239231
+4083 2 0.954832 0.156207 0.266795
+4090 1 0.880216 0.0769795 0.325593
+4099 1 0.843925 -0.000603067 0.290399
+4100 2 0.836548 0.0232941 0.28251
+4194 2 0.816471 0.105702 0.00684183
+4204 1 0.882913 0.322401 0.0271145
+4205 2 0.85445 0.337279 0.0234892
+4206 2 0.868236 0.298213 0.0285115
+4213 1 0.923586 0.180691 0.0313286
+4214 2 0.957353 0.184742 0.0370666
+4215 2 0.903924 0.185368 0.049567
+4216 1 0.950938 0.102348 0.00743178
+4217 2 0.975168 0.0893106 0.0197194
+4218 2 0.933396 0.11809 0.0215594
+4222 1 0.781845 0.128841 0.0866687
+4223 2 0.795683 0.105014 0.0935143
+4224 2 0.801436 0.148591 0.0967084
+4225 1 0.894113 0.213 0.213858
+4226 2 0.895152 0.19865 0.232962
+4227 2 0.888876 0.2387 0.220208
+4228 1 0.880419 0.281199 0.230279
+4229 2 0.881311 0.288681 0.251509
+4230 2 0.899895 0.299546 0.219519
+4237 1 0.97341 0.236117 0.283514
+4238 2 0.940898 0.228273 0.286277
+4239 2 0.979496 0.244708 0.26276
+4240 1 0.967358 0.181821 0.187878
+4241 2 0.985415 0.197519 0.174527
+4242 2 0.939879 0.193871 0.19768
+4243 1 0.741132 0.105646 0.186693
+4244 2 0.732352 0.0804783 0.182009
+4245 2 0.776242 0.107269 0.1873
+4249 1 0.709281 0.20589 0.317201
+4250 2 0.709569 0.231704 0.313383
+4251 2 0.687732 0.194737 0.302075
+4252 1 0.811978 0.336319 0.321958
+4265 2 1.00031 0.201137 0.30291
+4257 2 0.987082 0.255297 0.321609
+4258 1 0.788913 0.266576 0.313172
+4259 2 0.793612 0.292733 0.316949
+4260 2 0.812738 0.255803 0.326869
+4267 1 0.795581 0.166855 0.317438
+4268 2 0.771986 0.185856 0.313686
+4348 1 0.933371 0.25165 -0.000653409
+4349 2 0.930512 0.22697 0.00616718
+4350 2 0.957202 0.261463 0.0133615
+4375 1 0.831509 0.398305 0.0101179
+4376 2 0.80583 0.382952 0.01877
+4377 2 0.836817 0.41635 0.0264959
+4385 2 0.934155 0.335638 0.00595031
+4387 1 0.787653 0.33793 0.0288865
+4388 2 0.7876 0.324109 0.0094745
+4389 2 0.757289 0.331102 0.0398754
+4390 1 0.937861 0.347767 0.0710296
+4391 2 0.924284 0.365439 0.0857098
+4392 2 0.914173 0.338221 0.0562939
+4393 1 0.990755 0.334414 0.161056
+4394 2 0.988557 0.320656 0.141265
+4396 1 0.910193 0.422236 0.189282
+4397 2 0.92409 0.430918 0.169893
+4398 2 0.876618 0.425831 0.184193
+4399 1 0.965541 0.402669 0.269187
+4400 2 0.9395 0.416885 0.260245
+4401 2 0.962306 0.409473 0.291171
+4404 2 0.978296 0.483003 0.141007
+4408 1 0.935874 0.330478 0.209924
+4409 2 0.958282 0.327173 0.191689
+4410 2 0.919058 0.353565 0.207149
+4411 1 0.99412 0.284749 0.11633
+4607 2 0.900488 0.423927 0.321797
+4413 2 0.977784 0.276553 0.0975959
+4414 1 0.87543 0.422407 0.245391
+4415 2 0.882825 0.418727 0.223285
+4416 2 0.854651 0.40349 0.253381
+4417 1 0.75868 0.403228 0.318308
+4419 2 0.730792 0.387576 0.312359
+4435 1 0.688392 0.359816 0.306511
+4436 2 0.678335 0.356471 0.285078
+4437 2 0.659701 0.366505 0.317943
+4576 1 0.926346 0.457015 0.131051
+4577 2 0.922012 0.435761 0.118112
+4578 2 0.905821 0.475109 0.121453
+4580 2 0.839154 0.496271 0.105612
+4584 2 0.929735 0.482283 0.218017
+4600 1 0.987041 0.491219 0.306168
+4601 2 0.963952 0.488874 0.288955
+4602 2 0.968557 0.489877 0.326618
+4603 1 0.836229 0.48216 0.269676
+4604 2 0.852639 0.463213 0.257752
+4605 2 0.814642 0.493296 0.25504
+4606 1 0.934582 0.419484 0.323198
+4395 2 1.00129 0.359135 0.154999
+2084 2 0.499593 0.096791 0.197192
+2418 2 0.496062 0.419754 0.182453
+3260 2 0.501553 0.232518 0.328645
+4079 2 0.996785 0.0627139 0.169547
+4091 2 0.886867 0.102714 0.330955
+4932 2 0.932909 0.0476719 0.331752
+3212 2 0.671812 0.179876 0.00819273
+3547 1 0.633773 0.473051 0.00151017
+52 1 0.915223 0.201374 0.389826
+53 2 0.926786 0.180374 0.400953
+54 2 0.934185 0.220872 0.398797
+94 1 0.987861 0.07258 0.521701
+95 2 0.964114 0.0593293 0.533026
+96 2 0.982497 0.0686837 0.499959
+113 2 0.991126 0.207416 0.573622
+114 2 0.967418 0.179826 0.55292
+140 2 0.963052 0.0878525 0.583405
+224 2 0.993993 0.135602 0.37673
+241 1 0.968103 0.246617 0.419082
+243 2 0.961026 0.248353 0.44127
+244 1 0.908021 0.261871 0.545088
+245 2 0.883505 0.266972 0.530389
+246 2 0.892454 0.248433 0.561275
+259 1 0.913166 0.198983 0.485216
+260 2 0.884473 0.185746 0.491132
+261 2 0.93718 0.188366 0.498919
+269 2 0.991369 0.37362 0.632524
+277 1 0.947481 0.298278 0.627762
+278 2 0.968177 0.31939 0.624527
+279 2 0.950837 0.294457 0.649703
+280 1 0.991821 0.150212 0.619397
+281 2 0.995457 0.126302 0.608899
+282 2 0.985976 0.167425 0.602604
+286 1 0.967229 0.226998 0.601908
+287 2 0.960819 0.218012 0.622898
+288 2 0.969656 0.253042 0.602165
+307 1 0.948168 0.19761 0.655444
+308 2 0.962093 0.177149 0.644528
+427 1 1.00162 0.355183 0.483905
+428 2 0.986544 0.351901 0.503635
+429 2 0.976602 0.360571 0.469353
+4970 2 0.902789 -0.00303389 0.49327
+451 1 0.92887 0.333857 0.53582
+452 2 0.915802 0.310679 0.542261
+453 2 0.914938 0.349451 0.551815
+1041 2 0.601936 0.131907 0.341044
+1068 2 0.520169 0.11109 0.386588
+1381 1 0.511953 0.502193 0.338567
+1400 2 0.522392 0.350074 0.465367
+1401 2 0.510278 0.378983 0.439118
+2077 1 0.619913 0.0918044 0.441535
+2078 2 0.585689 0.0865049 0.439882
+2079 2 0.621263 0.108129 0.459075
+2086 1 0.579645 0.156806 0.451776
+2087 2 0.54683 0.157025 0.444171
+2088 2 0.589445 0.181845 0.447902
+2092 1 0.500864 0.126782 0.524389
+5001 2 0.969057 0.0446451 0.643435
+2095 1 0.588276 0.0432483 0.616796
+2096 2 0.583047 0.0421366 0.638953
+2097 2 0.556919 0.049076 0.608145
+2098 1 0.697072 0.194931 0.497102
+2099 2 0.726104 0.195461 0.485468
+2100 2 0.703884 0.17944 0.51432
+2101 1 0.662362 0.111899 0.507874
+2102 2 0.666664 0.129837 0.524115
+2103 2 0.637032 0.0954643 0.514642
+2107 1 0.530324 0.0672898 0.439057
+2108 2 0.516661 0.0757423 0.419717
+2109 2 0.509025 0.0781919 0.455108
+2122 1 0.652936 0.0692429 0.576517
+2123 2 0.630919 0.0734062 0.55934
+2124 2 0.629958 0.0621718 0.592516
+2125 1 0.548576 0.221114 0.662193
+2127 2 0.527096 0.201152 0.666257
+2130 2 0.597893 0.00596961 0.597527
+2134 1 0.51441 0.0332439 0.529378
+2135 2 0.50575 0.0394832 0.550685
+2136 2 0.529591 0.00848229 0.530988
+2239 1 0.533261 0.23998 0.523023
+2240 2 0.557913 0.220995 0.52011
+2241 2 0.541973 0.257101 0.506138
+2243 2 0.514047 0.248296 0.437513
+2245 1 0.582605 0.363663 0.38251
+2246 2 0.585537 0.339953 0.391648
+2247 2 0.562153 0.378424 0.39585
+2263 1 0.500423 0.0551612 0.593292
+2266 1 0.583253 0.260495 0.576774
+2267 2 0.559177 0.256479 0.560606
+2268 2 0.563732 0.264279 0.595345
+2269 1 0.563336 0.336737 0.50915
+2270 2 0.535414 0.336093 0.523547
+2271 2 0.581543 0.357314 0.516719
+2287 1 0.51971 0.265813 0.61926
+2288 2 0.504092 0.287413 0.627409
+2289 2 0.526987 0.254587 0.638863
+2293 1 0.504497 0.400215 0.617961
+2294 2 0.534568 0.408533 0.608607
+2296 1 0.63227 0.264011 0.650345
+2297 2 0.654075 0.266852 0.632598
+2298 2 0.618675 0.239693 0.651707
+2404 1 0.516558 0.407624 0.407889
+2406 2 0.531107 0.428112 0.419282
+2407 1 0.634809 0.287497 0.362414
+2408 2 0.622133 0.27535 0.344751
+2409 2 0.635064 0.270998 0.379271
+2412 2 0.589219 0.372465 0.346414
+2413 1 0.6007 0.485111 0.355892
+2414 2 0.605234 0.463113 0.367666
+2415 2 0.568342 0.484811 0.34822
+2431 1 0.564899 0.41673 0.492355
+2432 2 0.538077 0.429284 0.503199
+2433 2 0.585419 0.409304 0.510182
+2434 1 0.562555 0.454302 0.442951
+2435 2 0.552885 0.476125 0.453334
+2436 2 0.564824 0.436163 0.45927
+2455 1 0.670397 0.426797 0.637557
+2456 2 0.664598 0.451264 0.630092
+2457 2 0.648098 0.412713 0.625275
+2463 2 0.511848 0.45827 0.654766
+2467 1 0.502853 0.197774 0.598254
+2468 2 0.531378 0.183248 0.599834
+2469 2 0.5101 0.222065 0.605141
+2656 1 0.557278 0.494103 0.658059
+2905 1 0.600425 0.0111434 0.358407
+2907 2 0.587929 0.0330055 0.34817
+2917 1 0.56685 0.00189004 0.426944
+2918 2 0.549581 0.0244795 0.431651
+2934 2 0.501803 0.0101303 0.381271
+2967 2 0.526712 0.00625986 0.66011
+3076 1 0.56815 0.204947 0.382758
+3077 2 0.566917 0.214485 0.403821
+3078 2 0.541293 0.217297 0.373258
+3079 1 0.677395 0.0598832 0.362719
+3080 2 0.707227 0.0510672 0.371161
+3081 2 0.652018 0.0478444 0.374294
+3082 1 0.822707 0.228218 0.424042
+3083 2 0.810421 0.24833 0.412375
+3084 2 0.84923 0.219114 0.412614
+3085 1 0.739377 0.111172 0.46541
+3086 2 0.742671 0.0847341 0.461039
+3087 2 0.706876 0.113078 0.474521
+3090 2 0.78284 0.0581377 0.335836
+3097 1 0.833118 0.0644505 0.534048
+3098 2 0.79828 0.0646355 0.531373
+3099 2 0.839317 0.0421848 0.522932
+3103 1 0.709708 0.152642 0.549288
+3104 2 0.684356 0.167225 0.559581
+3105 2 0.731753 0.141516 0.564852
+3106 1 0.886196 0.118864 0.473039
+3107 2 0.8572 0.123033 0.484944
+3108 2 0.905822 0.101818 0.484231
+3109 1 0.906044 0.108216 0.593184
+3110 2 0.905088 0.112724 0.614972
+3111 2 0.881419 0.0910636 0.588764
+3112 1 0.744099 0.00165998 0.382655
+3119 2 0.681689 0.0103969 0.517625
+3121 1 0.633526 0.191491 0.562627
+3122 2 0.614041 0.184638 0.54495
+3123 2 0.623483 0.216091 0.567004
+3124 1 0.579438 0.156999 0.610752
+3125 2 0.605252 0.163984 0.597071
+3126 2 0.593552 0.15372 0.630979
+3133 1 0.853015 0.0502583 0.602508
+3134 2 0.850665 0.0517475 0.625153
+3135 2 0.820118 0.0498549 0.596229
+3142 1 0.751341 0.134773 0.599311
+3143 2 0.777829 0.141234 0.613424
+3144 2 0.722373 0.136447 0.612142
+3244 1 0.593566 0.224016 0.439911
+3245 2 0.624396 0.232089 0.430711
+3246 2 0.586972 0.24217 0.456464
+3247 1 0.720483 0.3106 0.35758
+3248 2 0.689468 0.298714 0.357849
+3249 2 0.725002 0.322868 0.337977
+3250 1 0.757519 0.199869 0.372474
+3251 2 0.751525 0.18161 0.38807
+3252 2 0.731781 0.197538 0.357719
+3253 1 0.792996 0.43215 0.450763
+3254 2 0.77998 0.452766 0.438579
+3255 2 0.807766 0.443315 0.468718
+3256 1 0.653864 0.183923 0.366688
+3257 2 0.623396 0.19466 0.373007
+3258 2 0.661557 0.193549 0.346561
+3265 1 0.763466 0.365526 0.440415
+3266 2 0.731842 0.36779 0.430689
+3267 2 0.775086 0.390093 0.444192
+3268 1 0.665322 0.287498 0.556685
+3269 2 0.668016 0.278375 0.536029
+3270 2 0.633086 0.28134 0.562833
+3271 1 0.675441 0.266695 0.496272
+3272 2 0.698318 0.269792 0.478264
+3273 2 0.676155 0.239681 0.499012
+3274 1 0.769037 0.24497 0.539407
+3275 2 0.743914 0.257834 0.528305
+3276 2 0.79812 0.253299 0.528363
+3277 1 0.778699 0.291942 0.404215
+3278 2 0.755309 0.297128 0.387894
+3279 2 0.79802 0.313413 0.401627
+3280 1 0.669092 0.24881 0.410185
+3281 2 0.693505 0.255999 0.424921
+3282 2 0.68299 0.227334 0.400853
+3283 1 0.576612 0.130554 0.385119
+3284 2 0.590518 0.129179 0.405372
+3285 2 0.567504 0.155361 0.381443
+3286 1 0.593971 0.186 0.507224
+3287 2 0.628207 0.184064 0.502755
+3288 2 0.579139 0.16819 0.493059
+3289 1 0.700376 0.264736 0.609741
+3290 2 0.688069 0.273815 0.589763
+3291 2 0.729423 0.250529 0.605584
+3298 1 0.771681 0.285969 0.648589
+3299 2 0.797412 0.283544 0.633774
+3300 2 0.742532 0.280684 0.636981
+3304 1 0.678106 0.143814 0.638344
+3305 2 0.650779 0.13514 0.650127
+3306 2 0.697158 0.157028 0.653209
+3307 1 0.585665 0.0844349 0.531922
+3308 2 0.563355 0.105159 0.532687
+3309 2 0.562291 0.0647251 0.527981
+3409 1 0.827405 0.474813 0.370747
+3410 2 0.830512 0.469728 0.348311
+3411 2 0.802955 0.456766 0.377029
+3414 2 0.662626 0.480376 0.398857
+3415 1 0.752479 0.48955 0.43155
+3417 2 0.73257 0.493732 0.413166
+3423 2 0.922682 0.482657 0.365016
+3430 1 0.688637 0.372018 0.40509
+3431 2 0.656643 0.3691 0.414782
+3432 2 0.691584 0.353849 0.388636
+3433 1 0.634205 0.394693 0.534418
+3434 2 0.657932 0.400956 0.518626
+3435 2 0.647476 0.378064 0.549697
+3436 1 0.647336 0.47882 0.538179
+3437 2 0.663858 0.462887 0.522398
+3438 2 0.622126 0.492935 0.526375
+3439 1 0.64921 0.356313 0.60419
+3440 2 0.634408 0.342413 0.620405
+3441 2 0.682182 0.349561 0.602924
+3442 1 0.679533 0.339393 0.481137
+3443 2 0.713961 0.341409 0.474374
+3444 2 0.674488 0.315085 0.491602
+3445 1 0.905442 0.488616 0.582158
+3446 2 0.874203 0.498274 0.575698
+3448 1 0.618338 0.378351 0.450597
+3449 2 0.592513 0.389025 0.463121
+3450 2 0.637092 0.362173 0.464878
+3451 1 0.585057 0.274066 0.483306
+3452 2 0.620464 0.274382 0.4857
+3453 2 0.576238 0.298695 0.490832
+3454 1 0.643134 0.439162 0.403711
+3455 2 0.660667 0.416312 0.405764
+3456 2 0.618173 0.438789 0.419424
+3457 1 0.606408 0.332132 0.655527
+3458 2 0.612659 0.306275 0.652351
+3459 2 0.572877 0.333823 0.65039
+3463 1 0.733162 0.370158 0.653179
+3465 2 0.716507 0.392751 0.650035
+3467 2 0.747579 0.495984 0.533642
+3472 1 0.512277 0.335585 0.641475
+3474 2 0.507905 0.355994 0.626821
+3475 1 0.590955 0.41266 0.595552
+3476 2 0.609174 0.390581 0.596406
+3477 2 0.599151 0.42503 0.576468
+3619 1 0.69859 0.440222 0.499653
+3620 2 0.729297 0.440336 0.510775
+3621 2 0.706993 0.440753 0.478017
+3640 1 0.655747 0.484579 0.597623
+3641 2 0.654083 0.479018 0.575365
+249 2 0.993806 0.297641 0.540091
+3925 1 0.744954 0.138805 0.40911
+3926 2 0.714085 0.128801 0.403454
+3927 2 0.751242 0.134429 0.431185
+3940 1 0.708864 0.017428 0.640991
+3941 2 0.718995 0.0349957 0.62547
+3949 1 0.654326 0.0304452 0.42098
+3950 2 0.626003 0.0145811 0.421544
+3951 2 0.640361 0.0537305 0.428401
+3964 1 0.508544 0.11531 0.629998
+3965 2 0.533156 0.133677 0.626732
+3966 2 0.51091 0.097587 0.613268
+4084 1 0.982899 0.0555038 0.460373
+4086 2 0.964209 0.0330787 0.461572
+4087 1 0.878365 0.0989518 0.416
+4088 2 0.912562 0.0959418 0.411249
+4089 2 0.877193 0.110106 0.437034
+4617 2 0.973454 0.49494 0.430321
+4092 2 0.861472 0.0661948 0.342896
+4093 1 0.951814 0.158481 0.432382
+4094 2 0.9284 0.164302 0.448151
+4095 2 0.981832 0.169545 0.43839
+4102 1 0.827653 0.135701 0.375168
+4103 2 0.796211 0.132422 0.384815
+4104 2 0.849048 0.123336 0.389804
+4105 1 0.858464 0.218993 0.659341
+4106 2 0.890952 0.208793 0.657827
+4107 2 0.862514 0.243815 0.651874
+4108 1 0.819706 0.155367 0.639067
+4109 2 0.842878 0.138209 0.649035
+4110 2 0.832737 0.180265 0.641948
+4111 1 0.913155 0.162869 0.552481
+4112 2 0.91014 0.1405 0.564384
+4113 2 0.900025 0.182771 0.565306
+4114 1 0.975722 0.0929756 0.401229
+4115 2 0.975494 0.0681535 0.408951
+4116 2 0.976021 0.109333 0.419163
+4117 1 0.918036 0.033432 0.561268
+4118 2 0.90063 0.0210007 0.545183
+4119 2 0.895911 0.0413837 0.577333
+4126 1 0.869935 0.212008 0.585854
+4127 2 0.885073 0.22518 0.602578
+4128 2 0.835068 0.212238 0.589082
+4129 1 0.85221 0.0534586 0.663933
+2906 2 0.571431 -0.00185105 0.364627
+4144 1 0.805541 0.143676 0.499719
+4145 2 0.80137 0.134275 0.520354
+4146 2 0.780833 0.131744 0.487171
+4147 1 0.742585 0.0737166 0.530685
+4148 2 0.729359 0.0643393 0.54913
+4149 2 0.72109 0.0917678 0.523526
+4150 1 0.957455 0.00583405 0.615995
+4151 2 0.952247 0.0179125 0.596551
+4246 1 0.897809 0.152044 0.339711
+4247 2 0.91712 0.166739 0.353637
+4248 2 0.867103 0.147634 0.350407
+4254 2 0.836356 0.325011 0.335499
+4255 1 0.991009 0.255941 0.344346
+4256 2 0.981862 0.23208 0.352136
+4261 1 0.913976 0.325918 0.445957
+4262 2 0.924089 0.305361 0.459652
+4263 2 0.929057 0.320852 0.425735
+4269 2 0.801683 0.168445 0.339622
+4270 1 0.869327 0.302797 0.358582
+4271 2 0.899905 0.301448 0.370679
+4272 2 0.857277 0.277281 0.357026
+4273 1 0.839944 0.234065 0.356303
+4274 2 0.808777 0.225734 0.363884
+4275 2 0.86516 0.217814 0.363633
+4276 1 0.733565 0.332646 0.570718
+4277 2 0.74667 0.34149 0.55119
+4278 2 0.70655 0.317283 0.565953
+4279 1 0.946424 0.269956 0.477585
+4280 2 0.971037 0.275405 0.493127
+4281 2 0.930844 0.246791 0.483577
+4282 1 0.736057 0.263879 0.453212
+4283 2 0.756802 0.243882 0.459569
+4284 2 0.753904 0.278627 0.438156
+4285 1 0.777975 0.34834 0.515662
+4286 2 0.790979 0.37276 0.517007
+4287 2 0.798507 0.335391 0.501067
+4288 1 0.789038 0.20783 0.472958
+4289 2 0.806373 0.212173 0.453556
+4290 2 0.797892 0.184211 0.481173
+4291 1 0.824444 0.0392373 0.370033
+4292 2 0.797363 0.0230539 0.373935
+4293 2 0.843104 0.0407458 0.388942
+4294 1 0.839958 0.260802 0.501727
+4295 2 0.822312 0.241847 0.491405
+4296 2 0.835394 0.279565 0.486403
+4297 1 0.842091 0.413987 0.651933
+4298 2 0.856583 0.43578 0.642765
+4299 2 0.832376 0.397898 0.635405
+139 1 0.997021 0.0887017 0.590069
+4306 1 0.795962 0.35308 0.610172
+4307 2 0.773896 0.358786 0.627357
+4308 2 0.773672 0.339917 0.596535
+4309 1 0.881558 0.366969 0.578256
+4310 2 0.901967 0.385382 0.587276
+4311 2 0.8512 0.368556 0.588928
+4312 1 0.858291 0.286178 0.616726
+4313 2 0.89096 0.294316 0.62025
+4314 2 0.841277 0.308625 0.612754
+4315 1 0.772732 0.218392 0.593791
+4316 2 0.772197 0.22965 0.573023
+4317 2 0.75397 0.196213 0.592568
+4319 2 0.773528 0.16378 0.663089
+5000 2 0.986096 0.0790895 0.627645
+4418 2 0.751172 0.415701 0.337906
+4432 1 0.951131 0.301805 0.384697
+4433 2 0.967489 0.294529 0.365293
+4434 2 0.958607 0.2816 0.399515
+4438 1 0.853513 0.377917 0.390511
+4439 2 0.878613 0.383401 0.405836
+4440 2 0.857096 0.352427 0.384182
+4441 1 0.954223 0.440907 0.379566
+4442 2 0.98934 0.442526 0.379457
+4443 2 0.943798 0.450092 0.399781
+4453 1 0.923922 0.433559 0.511633
+4454 2 0.942391 0.423133 0.529078
+4455 2 0.907063 0.413396 0.501554
+4456 1 0.825243 0.316488 0.465051
+4457 2 0.806916 0.33421 0.45297
+4458 2 0.85815 0.322174 0.459628
+4459 1 0.769747 0.416167 0.377832
+4460 2 0.743048 0.404958 0.388527
+4461 2 0.79858 0.402802 0.384454
+4462 1 0.778314 0.452128 0.527546
+4463 2 0.807688 0.46666 0.525084
+4464 2 0.777011 0.445775 0.550213
+4468 1 0.872942 0.480492 0.637045
+4469 2 0.887012 0.48461 0.615996
+4470 2 0.846052 0.498387 0.637964
+4474 1 0.975358 0.405341 0.552384
+4475 2 0.993133 0.382559 0.552846
+4476 2 0.964209 0.41074 0.573573
+4480 1 0.899185 0.370991 0.488071
+4481 2 0.902559 0.354886 0.469858
+4482 2 0.906199 0.356606 0.506565
+4483 1 0.771 0.441058 0.591659
+4484 2 0.749377 0.424352 0.602426
+4485 2 0.775282 0.462163 0.60526
+4486 1 0.931915 0.423239 0.603405
+4487 2 0.951158 0.424428 0.622054
+4488 2 0.927603 0.448386 0.597272
+4608 2 0.942967 0.424131 0.344916
+4615 1 0.945905 0.479109 0.433049
+4616 2 0.960472 0.459401 0.445069
+4624 1 0.986889 0.433946 0.464754
+4625 2 0.968918 0.432649 0.484166
+4630 1 0.889855 0.489251 0.482445
+4631 2 0.901604 0.471353 0.497071
+4632 2 0.91306 0.48915 0.465691
+4930 1 0.959011 0.0313065 0.336801
+4999 1 0.974251 0.070043 0.647365
+4933 1 0.952247 0.024423 0.397918
+4934 2 0.955194 0.0207636 0.376317
+4935 2 0.970546 0.00586335 0.40842
+4948 1 0.733584 0.0368012 0.453013
+4949 2 0.734036 0.0148923 0.465201
+4950 2 0.705532 0.0338948 0.439425
+4957 1 0.873788 0.0232012 0.427112
+4958 2 0.862531 0.0481503 0.431501
+4959 2 0.90402 0.026243 0.415297
+4969 1 0.925738 0.00167315 0.476503
+4971 2 0.905976 0.000908484 0.457722
+4972 1 0.737238 0.0627065 0.59396
+4973 2 0.703868 0.0658517 0.588874
+4974 2 0.746953 0.0872919 0.593082
+4304 2 0.812811 0.316085 0.666389
+4931 2 0.984739 0.0471736 0.342979
+4253 2 0.807644 0.360816 0.329985
+100 1 0.925623 0.0694837 0.728067
+101 2 0.916731 0.0811062 0.747755
+102 2 0.944184 0.0480764 0.733961
+126 2 0.966859 0.103432 0.787686
+309 2 0.957978 0.195706 0.677073
+310 1 0.961837 0.243212 0.854847
+311 2 0.933122 0.229432 0.859843
+312 2 0.987154 0.228975 0.865147
+316 1 0.940066 0.220162 0.923549
+317 2 0.906034 0.222925 0.926708
+318 2 0.94451 0.203462 0.906566
+437 2 0.950999 0.399153 0.678341
+460 1 0.955036 0.469234 0.839264
+461 2 0.956977 0.489743 0.85296
+462 2 0.980983 0.453139 0.845774
+5031 2 0.880022 0.00497575 0.896872
+486 2 0.989509 0.473204 0.929781
+492 2 0.977097 0.381781 0.930077
+499 1 0.988041 0.307746 0.888624
+500 2 0.98681 0.289887 0.871942
+501 2 0.954621 0.315852 0.890466
+503 2 0.98506 0.248922 0.939276
+643 1 0.992586 0.40626 0.74966
+644 2 0.959603 0.406713 0.742203
+667 1 0.932755 0.389559 0.869056
+668 2 0.912619 0.409449 0.87743
+669 2 0.966157 0.396023 0.873745
+1334 2 0.514103 0.35689 0.947109
+1501 1 0.51722 0.49275 0.949727
+1502 2 0.511125 0.495764 0.972209
+4701 2 0.751611 0.400516 0.833984
+2019 2 0.527947 0.190261 0.916092
+4700 2 0.792347 0.379674 0.848884
+2036 2 0.557542 0.00297849 0.884158
+2126 2 0.570153 0.221524 0.679498
+2137 1 0.513615 0.164356 0.696518
+2138 2 0.520059 0.173631 0.716729
+2146 1 0.543746 0.0856252 0.737824
+2147 2 0.561664 0.0629573 0.734445
+2148 2 0.528893 0.0929107 0.718474
+2149 1 0.587158 0.152923 0.875941
+2150 2 0.576809 0.137639 0.893732
+2151 2 0.576686 0.138886 0.857737
+2167 1 0.558714 0.10605 0.920852
+2168 2 0.560522 0.0799559 0.927334
+2169 2 0.526438 0.115263 0.92505
+2170 1 0.79844 0.0943738 0.889298
+2171 2 0.781455 0.0864957 0.870893
+2172 2 0.786101 0.117708 0.895987
+2182 1 0.590631 0.0283473 0.858082
+2183 2 0.582604 0.0318976 0.835746
+2184 2 0.623034 0.0391235 0.860651
+2201 2 0.568696 0.240004 0.99656
+2314 1 0.527611 0.215383 0.744702
+2315 2 0.559286 0.227426 0.744454
+2316 2 0.52005 0.210084 0.766409
+2318 2 0.520284 0.298813 0.780576
+2322 2 0.507505 0.116198 0.757848
+2332 1 0.550153 0.281459 0.919091
+2333 2 0.557837 0.256068 0.915317
+2334 2 0.525462 0.288368 0.903668
+2338 1 0.847621 0.235448 0.922081
+2339 2 0.83072 0.212932 0.923321
+2340 2 0.8223 0.25265 0.918233
+2341 1 0.678182 0.285741 0.99396
+2342 2 0.710433 0.288388 0.987441
+2343 2 0.658476 0.280317 0.976281
+2346 2 0.505181 0.309875 0.864061
+2473 1 0.557626 0.470341 0.767454
+2474 2 0.551625 0.493124 0.777816
+2475 2 0.584107 0.47689 0.753698
+2476 1 0.609548 0.444348 0.865295
+2477 2 0.585731 0.435141 0.880449
+2478 2 0.622762 0.464474 0.87719
+2479 1 0.689729 0.420116 0.832136
+2480 2 0.658533 0.428119 0.839595
+2481 2 0.693023 0.429374 0.811093
+2482 1 0.643686 0.300362 0.776362
+2483 2 0.63222 0.318018 0.761577
+2484 2 0.678471 0.300321 0.775079
+2485 1 0.552565 0.429441 0.816894
+2486 2 0.578075 0.44043 0.829455
+2487 2 0.552421 0.441375 0.796408
+2488 1 0.51756 0.332131 0.744225
+2489 2 0.503007 0.313555 0.730669
+2497 1 0.546414 0.419939 0.906478
+2498 2 0.511908 0.417338 0.906899
+2499 2 0.558005 0.396476 0.912528
+2512 1 0.595895 0.327782 0.870113
+2513 2 0.585094 0.339123 0.85116
+2514 2 0.623178 0.341634 0.877603
+2518 1 0.632757 0.433654 0.934367
+2519 2 0.636074 0.454953 0.947424
+2520 2 0.599208 0.432056 0.928806
+2624 2 0.651299 0.480508 0.732011
+4161 2 0.983977 0.0275069 0.830008
+2663 2 0.711274 0.491246 0.782545
+2688 2 0.546963 0.497942 0.916122
+2965 1 0.531802 0.0283142 0.671774
+2966 2 0.531214 0.0188884 0.692498
+3043 1 0.553993 0.0392474 0.945528
+3044 2 0.554 0.0201699 0.929139
+3045 2 0.525951 0.0377295 0.95902
+3127 1 0.756444 0.0378232 0.689505
+3128 2 0.73847 0.0300458 0.670894
+3129 2 0.786422 0.0248597 0.686746
+3145 1 0.833874 0.0203306 0.768879
+3146 2 0.807883 0.00725374 0.778707
+3147 2 0.862663 0.0116328 0.778965
+3148 1 0.675951 0.139479 0.863678
+3149 2 0.642105 0.145178 0.867715
+3150 2 0.690079 0.163389 0.862395
+3157 1 0.911209 0.0990704 0.781654
+3158 2 0.883579 0.113825 0.775828
+3159 2 0.906406 0.0913067 0.803596
+3160 1 0.575342 0.0179625 0.740038
+3161 2 0.541593 0.00947321 0.735925
+3166 1 0.670803 0.0639038 0.853264
+3167 2 0.695373 0.0611694 0.837703
+3168 2 0.677896 0.0850633 0.865914
+3169 1 0.77198 0.0648407 0.832025
+3170 2 0.7992 0.0624893 0.818448
+3171 2 0.767744 0.0407009 0.840689
+3172 1 0.62126 0.139176 0.957988
+3173 2 0.597602 0.124394 0.947056
+3174 2 0.622968 0.131126 0.979409
+3175 1 0.732402 0.132516 0.96919
+3176 2 0.736344 0.106489 0.966289
+3177 2 0.70171 0.136267 0.979397
+3181 1 0.768191 0.162852 0.922834
+3182 2 0.737406 0.173155 0.916874
+3183 2 0.76014 0.152503 0.943479
+3184 1 0.872065 0.0462129 0.891835
+3185 2 0.840605 0.0579515 0.889998
+3186 2 0.890336 0.0623746 0.905939
+3187 1 0.559423 0.0984377 0.83908
+3188 2 0.56951 0.081976 0.855384
+3189 2 0.562398 0.0848729 0.819932
+3190 1 0.754266 0.0603804 0.9585
+3191 2 0.73711 0.0514537 0.940463
+3192 2 0.757142 0.0380189 0.970517
+3210 2 0.759656 0.200094 0.999141
+3211 1 0.686903 0.200745 0.998301
+4162 1 0.998513 0.00167062 0.887168
+3292 1 0.672247 0.267351 0.704583
+3293 2 0.658184 0.269481 0.684056
+3294 2 0.704973 0.258666 0.704556
+3295 1 0.654133 0.0972532 0.728439
+3296 2 0.62896 0.114357 0.732705
+3297 2 0.642302 0.0743455 0.735724
+3301 1 0.820669 0.316067 0.738558
+3302 2 0.85173 0.308383 0.747941
+3303 2 0.827667 0.321657 0.715935
+3310 1 0.597085 0.14699 0.670684
+3311 2 0.564421 0.147792 0.677375
+3312 2 0.613481 0.160124 0.6871
+3313 1 0.757402 0.241549 0.692685
+3314 2 0.760986 0.258843 0.6757
+3315 2 0.754416 0.217582 0.683018
+3316 1 0.609411 0.271559 0.831844
+3317 2 0.596227 0.289886 0.846259
+3318 2 0.615504 0.284239 0.812339
+3319 1 0.883332 0.157374 0.727313
+3320 2 0.872816 0.176387 0.742629
+3321 2 0.862981 0.135346 0.730035
+3322 1 0.511863 0.216443 0.812273
+3323 2 0.509511 0.242135 0.80578
+3324 2 0.545048 0.212632 0.817652
+3325 1 0.796301 0.326247 0.864157
+3326 2 0.76411 0.33091 0.856565
+3327 2 0.813646 0.314061 0.847713
+3328 1 0.716778 0.123978 0.806677
+3329 2 0.740117 0.107625 0.816086
+3330 2 0.69384 0.131147 0.822654
+3331 1 0.634309 0.182775 0.716349
+3332 2 0.659189 0.173486 0.729343
+3333 2 0.622217 0.202073 0.7293
+3334 1 0.580941 0.213689 0.909587
+3335 2 0.57959 0.194069 0.894349
+3336 2 0.611311 0.211741 0.920394
+3337 1 0.674911 0.373054 0.879928
+3338 2 0.668889 0.398366 0.874789
+3339 2 0.689327 0.363065 0.860934
+3343 1 0.883704 0.300275 0.957008
+3344 2 0.898614 0.285443 0.972438
+3345 2 0.881682 0.284162 0.939614
+3346 1 0.851872 0.196873 0.770912
+3347 2 0.84368 0.202557 0.792678
+3348 2 0.840605 0.21453 0.755437
+3349 1 0.642923 0.293606 0.938576
+3350 2 0.609401 0.289619 0.932512
+3351 2 0.658111 0.281476 0.921143
+3352 1 0.654237 0.214839 0.854158
+3353 2 0.636653 0.236542 0.848435
+3354 2 0.631468 0.19571 0.854244
+3355 1 0.661795 0.196323 0.936278
+3356 2 0.64416 0.173756 0.941161
+3357 2 0.677218 0.201016 0.956662
+3358 1 0.697327 0.245709 0.900864
+3359 2 0.686492 0.237414 0.881298
+3360 2 0.688306 0.226933 0.915094
+3376 1 0.773063 0.287333 0.983446
+3377 2 0.798876 0.276141 0.994555
+3378 2 0.783421 0.288519 0.962461
+3464 2 0.740265 0.367969 0.675128
+3478 1 0.632319 0.3904 0.68705
+3479 2 0.625934 0.366687 0.677217
+3480 2 0.641561 0.406697 0.670038
+3481 1 0.605781 0.359218 0.741558
+3482 2 0.615004 0.368896 0.721488
+3483 2 0.574004 0.348408 0.739744
+3484 1 0.715973 0.452027 0.777706
+3485 2 0.749915 0.443354 0.778074
+3486 2 0.700471 0.443199 0.758145
+3487 1 0.715066 0.341115 0.830113
+3488 2 0.703978 0.354552 0.811962
+3489 2 0.721204 0.316454 0.822928
+3490 1 0.803274 0.425514 0.779884
+3491 2 0.800621 0.410267 0.798407
+3492 2 0.825579 0.413618 0.765423
+3493 1 0.678803 0.444789 0.720701
+3494 2 0.665043 0.422974 0.711492
+3495 2 0.700123 0.455469 0.70548
+3496 1 0.734625 0.290685 0.75424
+3497 2 0.724267 0.297733 0.733678
+3498 2 0.767628 0.300256 0.755615
+3499 1 0.613132 0.244418 0.74414
+3500 2 0.638842 0.25189 0.729273
+3501 2 0.616567 0.262869 0.760211
+3502 1 0.74226 0.276399 0.813783
+3503 2 0.73832 0.272349 0.791524
+3504 2 0.723626 0.257796 0.82405
+3505 1 0.710815 0.501732 0.847255
+3506 2 0.738002 0.484091 0.845554
+3511 1 0.682017 0.359984 0.94017
+3512 2 0.673883 0.334228 0.939225
+3513 2 0.681352 0.36728 0.918464
+3514 1 0.685207 0.404992 0.990984
+3515 2 0.664692 0.425185 0.98533
+3516 2 0.684328 0.388699 0.972936
+3520 1 0.568185 0.354073 0.932195
+3521 2 0.596795 0.35606 0.94427
+3522 2 0.565465 0.329245 0.925804
+3523 1 0.588784 0.356506 0.8138
+3524 2 0.604924 0.345168 0.796846
+3525 2 0.584005 0.381529 0.808822
+3528 2 0.69724 0.486807 0.933402
+3526 1 0.67884 0.499608 0.94951
+3549 2 0.653 0.489096 0.988519
+3658 1 0.929054 0.479133 0.757107
+3659 2 0.945615 0.473029 0.737463
+3660 2 0.923835 0.456677 0.768964
+4143 2 0.994285 0.0900276 0.683162
+3973 1 0.739677 0.105206 0.706579
+3974 2 0.742127 0.0808405 0.697395
+3975 2 0.706289 0.106639 0.713748
+3988 1 0.745507 0.00579405 0.863823
+3990 2 0.72251 0.0182188 0.876845
+3991 1 0.565118 0.0302684 0.80236
+3992 2 0.577796 0.0296958 0.781093
+3993 2 0.537449 0.0137957 0.801422
+3997 1 0.699177 0.014439 0.732463
+3998 2 0.703491 0.025029 0.752935
+3999 2 0.722447 0.025653 0.717972
+4012 1 0.645743 0.0427415 0.965591
+4013 2 0.611557 0.0417797 0.961784
+4014 2 0.650901 0.0543365 0.985282
+4015 1 0.69509 0.0259786 0.917521
+4017 2 0.676974 0.0357927 0.93548
+4051 1 0.772017 0.00254611 0.991715
+4052 2 0.80081 0.000591411 0.978364
+4130 2 0.858781 0.0383172 0.682272
+4132 1 0.855117 0.00896545 0.709591
+4134 2 0.842813 0.0129016 0.730916
+4141 1 0.988675 0.106581 0.700279
+4142 2 0.96063 0.0956211 0.709979
+4156 1 0.910227 0.0774844 0.83943
+4157 2 0.895194 0.0612291 0.855056
+4158 2 0.935135 0.0908409 0.851677
+4177 1 0.903749 0.181077 0.867838
+4178 2 0.886607 0.173303 0.886971
+4179 2 0.926779 0.161509 0.864437
+4180 1 0.867796 0.156806 0.922237
+4181 2 0.832945 0.153698 0.92368
+4182 2 0.876596 0.164138 0.943427
+4183 1 0.915625 0.0930435 0.925631
+4184 2 0.908708 0.0801384 0.945251
+4185 2 0.898214 0.116647 0.925323
+4186 1 0.898665 0.0524461 0.978658
+4187 2 0.922788 0.0652167 0.990857
+4188 2 0.867452 0.0621015 0.98522
+4189 1 0.962729 0.115947 0.87895
+4190 2 0.945961 0.108683 0.898102
+4191 2 0.996522 0.121007 0.883578
+4192 1 0.821093 0.0812872 0.998298
+4193 2 0.794621 0.0795388 0.983662
+4196 2 0.873287 0.00861234 0.964029
+4210 1 0.987116 0.151509 0.968396
+4211 2 0.968717 0.132485 0.978739
+4212 2 0.964389 0.166644 0.957223
+4219 1 0.887372 0.17695 0.975935
+4220 2 0.902632 0.175 0.996795
+4221 2 0.860959 0.193947 0.979382
+4300 1 0.852108 0.244109 0.719574
+4301 2 0.84595 0.229325 0.701131
+4302 2 0.823621 0.259091 0.722125
+4303 1 0.835879 0.326679 0.6815
+3669 2 0.502862 0.367342 0.702448
+4318 1 0.748748 0.171256 0.677696
+4320 2 0.74502 0.152429 0.693037
+4321 1 0.69866 0.168435 0.760563
+4322 2 0.729051 0.179184 0.757175
+4323 2 0.700947 0.150811 0.776914
+4324 1 0.919478 0.309224 0.754457
+4325 2 0.943924 0.327617 0.759004
+4326 2 0.928652 0.288549 0.768253
+4336 1 0.892062 0.122494 0.667319
+4338 2 0.895355 0.138027 0.685403
+4339 1 0.826871 0.102181 0.734187
+4340 2 0.829972 0.0757388 0.735848
+4341 2 0.7928 0.105326 0.727219
+4342 1 0.984305 0.0220157 0.756769
+4343 2 0.989606 0.0241931 0.779133
+4345 1 0.849092 0.285883 0.822365
+4346 2 0.877631 0.270831 0.82295
+4347 2 0.822681 0.269807 0.817103
+4360 1 0.970595 0.181746 0.713406
+4361 2 0.93818 0.178152 0.72217
+4362 2 0.982966 0.157168 0.711578
+4363 1 0.9312 0.280985 0.691172
+4364 2 0.914771 0.262668 0.702146
+4365 2 0.932657 0.300306 0.705848
+4366 1 0.829311 0.206882 0.831572
+4367 2 0.857682 0.195433 0.84031
+4368 2 0.80345 0.201913 0.84562
+4371 2 0.926847 0.492603 0.954979
+4372 1 0.801412 0.475624 0.924681
+4373 2 0.768843 0.465505 0.923053
+4374 2 0.822241 0.455769 0.917963
+4381 1 0.883439 0.463933 0.973644
+4382 2 0.875287 0.469529 0.994403
+4383 2 0.857053 0.472432 0.961848
+4384 1 0.959846 0.347199 0.994326
+4386 2 0.95378 0.342509 0.972804
+4477 1 0.809229 0.430643 0.709006
+4478 2 0.837195 0.43523 0.721679
+4479 2 0.818789 0.423858 0.6882
+4489 1 0.755572 0.371648 0.718966
+4490 2 0.769547 0.395374 0.71423
+4491 2 0.779131 0.354189 0.72703
+4492 1 0.908904 0.424811 0.796229
+4493 2 0.924274 0.441975 0.811169
+4494 2 0.896517 0.40479 0.808995
+4495 1 0.885527 0.353614 0.807949
+4496 2 0.919595 0.353622 0.810257
+4497 2 0.872115 0.330122 0.81328
+4498 1 0.992433 0.352181 0.78838
+4500 2 0.994599 0.375361 0.777503
+4501 1 0.947066 0.257294 0.796988
+4502 2 0.957562 0.255414 0.818507
+4503 2 0.965452 0.237863 0.787117
+4504 1 0.907453 0.386639 0.696349
+4505 2 0.886014 0.394895 0.679876
+4506 2 0.889971 0.387664 0.716174
+4507 1 0.695114 0.372747 0.768006
+4508 2 0.663428 0.373603 0.758656
+4509 2 0.718072 0.373856 0.750948
+4510 1 0.807864 0.402741 0.911704
+4511 2 0.822019 0.390709 0.930095
+4512 2 0.824787 0.39309 0.893932
+4513 1 0.724373 0.442653 0.914825
+4514 2 0.746736 0.422298 0.911694
+4515 2 0.693899 0.432915 0.922637
+4516 1 0.857538 0.368211 0.957011
+4517 2 0.854913 0.376645 0.97883
+4518 2 0.862801 0.341764 0.955806
+4519 1 0.935919 0.402617 0.952486
+4520 2 0.907484 0.386318 0.949179
+4521 2 0.926393 0.418572 0.96928
+4525 1 0.89819 0.443204 0.902473
+4526 2 0.908487 0.441094 0.92423
+4527 2 0.911086 0.465721 0.893664
+4528 1 0.778062 0.282817 0.915969
+4529 2 0.781876 0.300825 0.900275
+4530 2 0.749017 0.270921 0.912303
+4531 1 0.869583 0.390284 0.750318
+4532 2 0.866831 0.365156 0.757586
+4533 2 0.887683 0.401771 0.767554
+4534 1 0.894352 0.328002 0.880379
+4535 2 0.90585 0.351988 0.872181
+4536 2 0.859416 0.327846 0.878624
+4675 1 0.749913 0.482086 0.691351
+4676 2 0.765569 0.491405 0.672834
+4677 2 0.773493 0.464381 0.699045
+4678 1 0.961222 0.464763 0.702947
+4679 2 0.945188 0.486534 0.693831
+4680 2 0.971663 0.44893 0.685758
+4696 1 0.797213 0.470398 0.82751
+4697 2 0.796692 0.449327 0.841426
+4698 2 0.798413 0.45766 0.807324
+4699 1 0.78563 0.398173 0.834155
+4043 2 0.957524 0.00962098 0.999417
+436 1 0.979967 0.409012 0.667053
+4131 2 0.85527 0.0779431 0.671309
+4305 2 0.868247 0.320486 0.674465
+4337 2 0.91604 0.10443 0.671621
+1 1 0.967053 0.929904 0.0170834
+2 2 0.968505 0.955717 0.0204037
+3 2 0.948323 0.921135 0.0345419
+40 1 0.949471 0.975688 0.206987
+41 2 0.922169 0.990988 0.211408
+42 2 0.967216 0.980527 0.226195
+152 2 0.984493 0.990853 0.0916998
+570 2 0.99909 0.615446 0.205684
+571 1 0.882824 0.532597 0.299411
+572 2 0.867441 0.513238 0.28798
+573 2 0.906763 0.54109 0.285431
+700 1 0.97548 0.791005 0.178047
+702 2 0.97341 0.813506 0.164801
+712 1 0.936465 0.721376 0.073257
+713 2 0.950924 0.733724 0.091469
+714 2 0.936521 0.695384 0.0769659
+715 1 0.814593 0.719866 0.111961
+716 2 0.82463 0.740715 0.124433
+717 2 0.827309 0.69852 0.122209
+718 1 0.868205 0.652755 0.146407
+719 2 0.844787 0.633349 0.150578
+720 2 0.900501 0.643396 0.150271
+742 1 0.99379 0.967253 0.319409
+743 2 0.980277 0.991086 0.326286
+846 2 0.971717 0.994442 0.167995
+883 1 0.95748 0.753602 0.125353
+884 2 0.922956 0.755655 0.12307
+885 2 0.965736 0.766051 0.144764
+5022 2 0.846703 0.970715 0.0506376
+1729 1 0.501247 0.757103 0.296653
+1730 2 0.507054 0.747171 0.317179
+2049 2 0.513718 0.981897 0.150284
+2360 2 0.711339 0.510199 0.144064
+2365 1 0.515598 0.584576 0.194032
+2367 2 0.501665 0.570028 0.17786
+2383 1 0.615418 0.51986 0.16784
+2385 2 0.620184 0.525624 0.189607
+2389 1 0.578562 0.592277 0.24107
+2390 2 0.604951 0.578084 0.232615
+2391 2 0.553506 0.58965 0.224976
+2521 1 0.575666 0.603907 0.0630816
+2522 2 0.545018 0.616974 0.0641422
+2523 2 0.60007 0.622401 0.066872
+2524 1 0.543864 0.667736 0.124563
+2525 2 0.555062 0.676661 0.104582
+2526 2 0.508584 0.667557 0.124421
+2527 1 0.580858 0.616824 0.15937
+2528 2 0.557206 0.603932 0.171421
+2529 2 0.563749 0.637494 0.150547
+2533 1 0.647779 0.649386 0.0701751
+2534 2 0.626886 0.670943 0.071895
+2535 2 0.655044 0.651751 0.0480036
+2536 1 0.552511 0.516248 0.0365336
+2537 2 0.546278 0.527286 0.0573925
+2538 2 0.538814 0.534987 0.0225689
+2554 1 0.718831 0.661424 0.202932
+2555 2 0.693247 0.673216 0.214153
+2556 2 0.70975 0.635561 0.206425
+2557 1 0.51652 0.607578 0.285977
+2558 2 0.540968 0.598935 0.271499
+2559 2 0.52631 0.631444 0.293136
+2561 2 0.605751 0.509968 0.278959
+2568 2 0.540442 0.497378 0.203313
+2578 1 0.610741 0.549409 0.297366
+2579 2 0.622226 0.572286 0.290066
+2580 2 0.601214 0.552212 0.318505
+2671 1 0.557898 0.544708 0.0945244
+2672 2 0.564381 0.565148 0.0802873
+2673 2 0.583204 0.544358 0.110134
+2695 1 0.598471 0.709596 0.0685315
+2696 2 0.588059 0.711044 0.0469423
+2697 2 0.62403 0.727015 0.0712039
+2698 1 0.599669 0.861791 0.140532
+2699 2 0.585838 0.872876 0.121699
+2700 2 0.604761 0.83644 0.134961
+2701 1 0.521541 0.79117 0.199466
+2702 2 0.543388 0.811225 0.202055
+2703 2 0.537774 0.774621 0.185428
+2704 1 0.520866 0.615879 0.00357881
+2706 2 0.512009 0.624295 0.0248329
+2713 1 0.626812 0.855969 0.224743
+2714 2 0.644671 0.876218 0.216558
+2715 2 0.622109 0.862968 0.246354
+2716 1 0.530314 0.988779 0.284341
+2717 2 0.557599 0.993955 0.297305
+2718 2 0.538182 0.970839 0.269132
+2719 1 0.633523 0.795688 0.188326
+2720 2 0.632771 0.818507 0.200274
+2721 2 0.652606 0.778031 0.200562
+2722 1 0.558662 0.794115 0.119521
+2723 2 0.552767 0.771668 0.131199
+2724 2 0.593612 0.793851 0.117877
+2725 1 0.552016 0.861344 0.190758
+2726 2 0.566911 0.866213 0.170445
+2727 2 0.576774 0.857116 0.206477
+2728 1 0.527378 0.670071 0.205654
+2729 2 0.558785 0.660803 0.202374
+2730 2 0.528183 0.690939 0.219087
+2731 1 0.557278 0.736785 0.156904
+2732 2 0.546004 0.714163 0.148181
+2733 2 0.589857 0.731041 0.164431
+2734 1 0.531876 0.729293 0.24007
+2735 2 0.522349 0.749755 0.226995
+2736 2 0.527095 0.738152 0.261478
+2737 1 0.610288 0.725671 0.292627
+2738 2 0.643331 0.725069 0.301163
+2739 2 0.602481 0.750892 0.286424
+2746 1 0.729468 0.81978 0.275818
+2747 2 0.726871 0.83235 0.255982
+2748 2 0.764042 0.821834 0.279153
+2752 1 0.638363 0.643638 0.320993
+2753 2 0.64764 0.638055 0.299704
+2754 2 0.604356 0.640778 0.32301
+2755 1 0.543074 0.6756 0.303009
+2756 2 0.568442 0.693052 0.298103
+2757 2 0.545686 0.670159 0.325124
+2845 1 0.574612 0.699811 0.0070703
+2847 2 0.54078 0.701993 0.0117819
+2857 1 0.547013 0.884929 0.0900147
+2858 2 0.540874 0.859673 0.0853385
+2859 2 0.515809 0.896338 0.0937237
+2866 1 0.588396 0.945738 0.0738933
+2867 2 0.574028 0.923982 0.0824114
+2868 2 0.621523 0.946107 0.0808534
+2870 2 0.565584 0.987504 0.0819741
+2872 1 0.566492 0.852153 0.0283864
+2873 2 0.568486 0.874666 0.0397839
+2874 2 0.539792 0.855509 0.0137917
+2881 1 0.586709 0.94335 0.186854
+2882 2 0.563468 0.936686 0.171343
+2883 2 0.604551 0.963312 0.17748
+2885 2 0.646348 0.989677 0.231765
+3908 2 0.500981 0.810399 0.12191
+2887 1 0.659639 0.956161 0.263766
+2888 2 0.692169 0.957128 0.271575
+2889 2 0.645455 0.973715 0.277598
+2898 2 0.500985 0.886396 0.199061
+2899 1 0.509677 0.936255 0.149867
+2904 2 0.512929 0.984756 0.224795
+2544 2 0.503613 0.553308 0.125581
+2920 1 0.586463 0.792728 0.275458
+2921 2 0.59218 0.817068 0.283339
+2922 2 0.555167 0.784239 0.28248
+2923 1 0.572827 0.934738 0.247376
+2924 2 0.571265 0.936101 0.224958
+2925 2 0.606554 0.938482 0.253168
+2926 1 0.550988 0.906921 0.303011
+2927 2 0.558637 0.914033 0.281497
+2928 2 0.521192 0.893362 0.301926
+3013 1 0.561247 0.928271 0.0108926
+3014 2 0.563766 0.937115 0.0320614
+3015 2 0.59198 0.935196 0.00191714
+3064 1 0.773593 0.969099 0.101335
+3065 2 0.76113 0.983107 0.0831853
+3066 2 0.771295 0.943534 0.0944542
+3091 1 0.832553 0.962543 0.239796
+3092 2 0.838222 0.973437 0.259939
+3093 2 0.82257 0.98138 0.225598
+3364 1 0.689591 0.562025 0.0171842
+3365 2 0.693284 0.56979 0.038589
+3366 2 0.660902 0.571049 0.00704135
+3388 1 0.70479 0.59308 0.221137
+3389 2 0.681736 0.57357 0.216212
+3390 2 0.734506 0.579696 0.225515
+3529 1 0.826464 0.691655 0.0554755
+3530 2 0.827683 0.713774 0.0434685
+3531 2 0.819909 0.701408 0.0762231
+3532 1 0.652822 0.658139 0.134645
+3533 2 0.626815 0.643497 0.142806
+3534 2 0.653597 0.65329 0.112473
+3541 1 0.777925 0.553844 0.0724869
+3542 2 0.771819 0.537379 0.0556575
+3543 2 0.746012 0.562738 0.0761806
+3544 1 0.761429 0.512299 0.0200629
+3545 2 0.78347 0.515151 0.00258624
+3546 2 0.734012 0.52789 0.0158135
+3550 1 0.687568 0.582069 0.0764594
+3551 2 0.676424 0.607201 0.0754027
+3552 2 0.669756 0.57443 0.0948345
+3553 1 0.738814 0.535901 0.175944
+3554 2 0.724282 0.524257 0.193904
+3555 2 0.771679 0.534185 0.182671
+3556 1 0.835048 0.653519 0.293353
+3557 2 0.803911 0.648442 0.302391
+3558 2 0.83927 0.67964 0.294699
+3559 1 0.741315 0.641789 0.313813
+3560 2 0.720205 0.637738 0.296089
+3561 2 0.721909 0.650125 0.330875
+3562 1 0.827377 0.511021 0.193529
+3563 2 0.8593 0.508208 0.203522
+3565 1 0.648158 0.690032 0.238785
+3566 2 0.657789 0.715365 0.236356
+3567 2 0.617268 0.692645 0.248843
+3568 1 0.725692 0.519762 0.282609
+3569 2 0.743903 0.534391 0.268242
+3570 2 0.725814 0.534241 0.301483
+3571 1 0.634332 0.569351 0.130029
+3572 2 0.614436 0.587906 0.140021
+3573 2 0.628486 0.549956 0.145083
+3574 1 0.786624 0.557784 0.243583
+3575 2 0.805234 0.544916 0.228553
+3576 2 0.803637 0.57954 0.248522
+3595 1 0.640235 0.538643 0.223773
+3596 2 0.624897 0.529273 0.242141
+3597 2 0.665456 0.519902 0.221417
+3685 1 0.649115 0.653381 0.00839828
+3686 2 0.677007 0.665225 -0.000366168
+3687 2 0.621629 0.669633 0.00644657
+3697 1 0.580139 0.78417 0.0257184
+3698 2 0.548166 0.775418 0.0195113
+3699 2 0.576078 0.810828 0.027794
+3700 1 0.718657 0.826763 0.0908744
+3701 2 0.69895 0.811115 0.103655
+3702 2 0.749683 0.814869 0.0920737
+3703 1 0.857812 0.845112 0.0337219
+3704 2 0.875671 0.842584 0.0142339
+3705 2 0.878067 0.862475 0.045142
+3706 1 0.891176 0.653521 0.0840544
+3707 2 0.865815 0.667838 0.0747483
+3708 2 0.883948 0.650956 0.105555
+3709 1 0.69963 0.803405 0.0352787
+3710 2 0.709848 0.812911 0.0554967
+3711 2 0.676155 0.820807 0.028161
+3712 1 0.818628 0.815358 0.0874525
+3713 2 0.826295 0.823308 0.0660444
+3714 2 0.832676 0.791156 0.0890569
+3715 1 0.70358 0.724936 0.04315
+3716 2 0.715513 0.710781 0.0258752
+3717 2 0.706032 0.750812 0.0390675
+3718 1 0.727834 0.746322 0.100012
+3719 2 0.717059 0.731796 0.0823403
+3720 2 0.759203 0.735752 0.103974
+3721 1 0.868772 0.852684 0.130729
+3722 2 0.852872 0.845356 0.14989
+3723 2 0.850695 0.839432 0.114555
+3724 1 0.659214 0.787122 0.126917
+3725 2 0.650989 0.784681 0.14873
+3726 2 0.677556 0.766177 0.120365
+3727 1 0.826549 0.836663 0.264812
+3728 2 0.828206 0.858072 0.25119
+3729 2 0.821126 0.815961 0.250462
+3730 1 0.803412 0.627979 0.201162
+3731 2 0.776492 0.644076 0.203442
+3732 2 0.80277 0.61506 0.181962
+3733 1 0.823652 0.775969 0.233475
+3734 2 0.811233 0.754355 0.243297
+3735 2 0.857417 0.770437 0.229665
+3736 1 0.865023 0.617634 0.247195
+3737 2 0.857444 0.630482 0.26673
+3738 2 0.842752 0.625575 0.230554
+3739 1 0.643154 0.712542 0.169461
+3740 2 0.647933 0.691455 0.155999
+3741 2 0.667468 0.711796 0.185381
+3742 1 0.721739 0.611569 0.140641
+3743 2 0.699068 0.591733 0.140205
+3744 2 0.700212 0.63257 0.140228
+3745 1 0.658499 0.760361 0.238664
+3746 2 0.675272 0.760604 0.258823
+3747 2 0.631207 0.776663 0.241701
+3754 1 0.800231 0.721614 0.305564
+3755 2 0.809915 0.710774 0.325826
+3756 2 0.802539 0.748534 0.309408
+3760 1 0.706205 0.752025 0.2931
+3761 2 0.735322 0.737685 0.296657
+3762 2 0.717618 0.77719 0.29392
+3763 1 0.680026 0.63219 0.267462
+3764 2 0.663276 0.653631 0.25799
+3765 2 0.694279 0.619324 0.249482
+3847 1 0.832539 0.755955 0.0191279
+3848 2 0.83837 0.737526 0.00342208
+3849 2 0.803364 0.766424 0.0108028
+3864 2 0.723848 0.780731 8.16634e-05
+3868 1 0.634128 0.993871 0.15414
+3870 2 0.657163 0.973375 0.151776
+3871 1 0.679117 0.873701 0.171779
+3872 2 0.650743 0.868563 0.158535
+3873 2 0.706789 0.870854 0.15796
+3874 1 0.686365 0.905351 0.0274052
+3875 2 0.670889 0.9262 0.0174333
+3876 2 0.671466 0.884932 0.0167115
+3877 1 0.673467 0.940724 0.0921121
+3878 2 0.692108 0.925381 0.0780349
+3879 2 0.689289 0.942791 0.112564
+3882 2 0.612967 0.850512 0.0084553
+3889 1 0.755535 0.943321 0.204162
+3890 2 0.777882 0.947254 0.186263
+3891 2 0.774444 0.950185 0.222461
+3895 1 0.756757 0.888119 0.319445
+1383 2 0.502682 0.501024 0.316758
+3897 2 0.747555 0.863106 0.318609
+3898 1 0.841845 0.892221 0.22306
+3899 2 0.830608 0.916287 0.228991
+3900 2 0.876402 0.896585 0.219153
+3904 1 0.696101 0.940978 0.155766
+3905 2 0.716903 0.947511 0.17376
+3906 2 0.682518 0.91725 0.162189
+3910 1 0.630865 0.860682 0.283238
+3911 2 0.62859 0.879855 0.29852
+3912 2 0.663814 0.852206 0.28383
+3931 1 0.736272 0.957934 0.299557
+3932 2 0.746779 0.933878 0.30455
+3933 2 0.717463 0.964942 0.317515
+3936 2 0.592583 0.908236 0.326198
+4011 2 0.643817 0.980282 0.00359581
+4054 1 0.933321 0.956167 0.0919538
+4055 2 0.932295 0.937581 0.10879
+4056 2 0.910472 0.974507 0.10042
+4072 1 1.00005 0.983988 0.259064
+4073 2 0.996438 0.978708 0.28133
+4101 2 0.831996 1.00034 0.311185
+4198 1 0.767361 0.932582 0.00511775
+4199 2 0.738052 0.9207 0.0126567
+4200 2 0.791327 0.931826 0.0215742
+4405 1 0.949252 0.550313 0.258163
+4406 2 0.945634 0.573007 0.24818
+4407 2 0.982694 0.54786 0.261533
+4420 1 0.739193 0.571233 0.323035
+4421 2 0.739306 0.596445 0.316465
+4422 2 0.772959 0.566245 0.327449
+4537 1 0.880314 0.646853 0.0208239
+4538 2 0.859612 0.664386 0.0306125
+4539 2 0.871257 0.623269 0.0283744
+4540 1 0.855147 0.58739 0.055331
+4541 2 0.865432 0.605989 0.0699192
+4542 2 0.824645 0.577804 0.0624078
+1859 2 0.502178 0.96339 0.0257582
+4558 1 0.892829 0.531067 0.0210493
+4559 2 0.881147 0.551558 0.0335525
+4560 2 0.90262 0.51235 0.0354778
+4561 1 0.914289 0.557558 0.173947
+4562 2 0.917208 0.535475 0.186591
+4563 2 0.881539 0.556957 0.16663
+4564 1 0.940013 0.603968 0.216138
+4565 2 0.911272 0.608172 0.228914
+4566 2 0.927348 0.591091 0.198213
+4569 2 0.853521 0.555468 0.326183
+4573 1 0.954339 0.681106 0.214408
+4574 2 0.948519 0.655285 0.2172
+4575 2 0.982474 0.685983 0.226544
+4579 1 0.863143 0.504125 0.0906215
+4581 2 0.856265 0.528223 0.0829583
+4582 1 0.913365 0.505832 0.217483
+4583 2 0.925492 0.523603 0.23314
+4585 1 0.925506 0.642857 0.326012
+4587 2 0.895447 0.632103 0.321398
+4693 1 0.980509 0.65955 0.0358063
+4694 2 0.946313 0.655074 0.0364181
+4695 2 0.989683 0.648897 0.0163344
+4706 2 0.806074 0.850389 0.00985994
+4707 2 0.768346 0.82134 0.00500356
+4713 2 0.969179 0.758147 0.0140984
+4729 1 0.923935 0.777551 0.0322334
+4730 2 0.924071 0.756734 0.0452825
+4731 2 0.89141 0.777618 0.0246601
+4732 1 0.902393 0.71462 0.172874
+4733 2 0.886406 0.693284 0.164134
+4734 2 0.922253 0.705685 0.189894
+4735 1 0.96367 0.730423 0.272348
+4736 2 0.942616 0.744518 0.286051
+4737 2 0.948576 0.735706 0.252426
+4738 1 0.91167 0.912882 0.137491
+4739 2 0.92118 0.912253 0.159487
+4740 2 0.892445 0.889955 0.134572
+4741 1 0.85781 0.842049 0.331694
+4743 2 0.871468 0.859692 0.31706
+4744 1 0.812466 0.594075 0.146851
+4745 2 0.779306 0.602727 0.144521
+4746 2 0.810466 0.568744 0.141136
+4747 1 0.862432 0.766641 0.147015
+4748 2 0.87932 0.74727 0.158368
+4749 2 0.855358 0.785474 0.161974
+4750 1 0.972269 0.643096 0.143087
+4751 2 0.985469 0.667377 0.142942
+4752 2 0.982383 0.637378 0.122133
+4753 1 0.796691 0.791256 0.332912
+4754 2 0.819944 0.812303 0.332894
+4762 1 0.966626 0.836237 0.313908
+4763 2 1.00033 0.843002 0.312565
+4771 1 0.907594 0.775641 0.302126
+4772 2 0.928211 0.796369 0.297581
+4773 2 0.876778 0.786321 0.307011
+4774 1 0.994398 0.666293 0.289944
+4775 2 0.971807 0.654372 0.304104
+4776 2 0.976861 0.68865 0.285771
+4876 1 0.971694 0.831931 0.0694187
+4877 2 0.969119 0.819521 0.0893648
+4878 2 0.962711 0.814209 0.0534729
+4882 1 0.82889 0.923467 0.0517951
+4883 2 0.807773 0.913296 0.06737
+4884 2 0.858825 0.910102 0.0513408
+4885 1 0.807112 0.960265 0.15697
+4886 2 0.841283 0.960503 0.152228
+4887 2 0.790301 0.963151 0.136612
+4894 1 0.76655 0.883027 0.147708
+4895 2 0.78954 0.868267 0.159194
+4896 2 0.774335 0.907893 0.152698
+4897 1 0.82501 0.837839 0.185069
+4898 2 0.828669 0.856945 0.200971
+4899 2 0.801701 0.821774 0.194699
+4900 1 0.901185 0.906022 0.300228
+4901 2 0.932399 0.916613 0.304876
+4902 2 0.879083 0.926245 0.302098
+4903 1 0.993171 0.856948 0.218927
+4905 2 0.965245 0.849515 0.230885
+4906 1 0.968101 0.839906 0.136815
+4907 2 0.988031 0.861389 0.140038
+4908 2 0.937522 0.851905 0.133958
+4909 1 0.93229 0.90597 0.196294
+4910 2 0.959136 0.890841 0.201975
+4911 2 0.941621 0.931476 0.199236
+4912 1 0.918234 0.892756 0.0603857
+4913 2 0.941507 0.872812 0.0631005
+4914 2 0.929478 0.910302 0.0760341
+4915 1 0.759335 0.895165 0.0885472
+4916 2 0.765617 0.889526 0.110498
+4917 2 0.742349 0.873924 0.0807212
+4918 1 0.917495 0.772161 0.223773
+4919 2 0.925195 0.792788 0.236721
+4920 2 0.936931 0.77616 0.204742
+4936 1 0.929793 0.836251 0.257024
+4937 2 0.896109 0.84217 0.257291
+4938 2 0.940471 0.843969 0.277291
+4939 1 0.736558 0.856504 0.220968
+4940 2 0.747736 0.880838 0.22553
+4941 2 0.715228 0.858864 0.202828
+5020 1 0.861532 0.992938 0.0437647
+5021 2 0.87244 1.00689 0.0610973
+115 1 0.991677 0.964371 0.421586
+116 2 0.96144 0.952171 0.427065
+601 1 0.969161 0.53367 0.558006
+602 2 0.954564 0.552872 0.545331
+603 2 0.994222 0.523432 0.54509
+787 1 0.936014 0.578491 0.510509
+788 2 0.926055 0.571222 0.490145
+789 2 0.963275 0.593475 0.507644
+913 1 0.997214 0.941689 0.487878
+914 2 0.978092 0.958833 0.47547
+916 1 0.997844 0.851688 0.442728
+917 2 0.991504 0.856155 0.465046
+918 2 0.969774 0.840355 0.433779
+5013 2 0.910789 0.795993 0.657578
+1769 2 0.506663 0.669454 0.425775
+2104 1 0.607584 0.941185 0.493916
+2105 2 0.57818 0.946118 0.504978
+2106 2 0.629275 0.959721 0.502726
+2110 1 0.550263 0.964638 0.540791
+2111 2 0.541111 0.939655 0.546209
+2112 2 0.572995 0.972543 0.557146
+2128 1 0.605397 0.982511 0.587882
+2129 2 0.636527 0.974054 0.596866
+2152 1 0.507221 0.95963 0.659301
+2380 1 0.570839 0.541013 0.409401
+2381 2 0.573055 0.516967 0.400304
+2382 2 0.59284 0.540074 0.427231
+2425 1 0.51036 0.504463 0.471181
+5011 1 0.883147 0.781209 0.651373
+2437 1 0.640629 0.540781 0.45159
+2438 2 0.649605 0.564344 0.443105
+2439 2 0.669978 0.527421 0.448202
+2572 1 0.552467 0.639622 0.354126
+2573 2 0.572475 0.644738 0.372611
+2574 2 0.552863 0.613221 0.353661
+2575 1 0.622587 0.619848 0.490842
+2576 2 0.630973 0.645437 0.49162
+2577 2 0.642434 0.608654 0.475372
+2583 2 0.511694 0.548503 0.409192
+2584 1 0.56185 0.56457 0.352085
+2585 2 0.549968 0.540719 0.34702
+2586 2 0.57427 0.562988 0.373173
+2599 1 0.655147 0.575023 0.596007
+2600 2 0.643493 0.574813 0.575064
+2601 2 0.630937 0.560459 0.606241
+2602 1 0.764702 0.623211 0.446152
+2603 2 0.770933 0.621319 0.424013
+2604 2 0.766559 0.648434 0.453447
+2605 1 0.602046 0.574462 0.543395
+2606 2 0.623548 0.587367 0.52946
+2607 2 0.596403 0.551414 0.532959
+2614 1 0.591706 0.519889 0.503801
+2615 2 0.563343 0.511689 0.493139
+2616 2 0.611102 0.53074 0.487854
+2620 1 0.512329 0.739219 0.603821
+2621 2 0.537902 0.756867 0.602265
+2626 1 0.584296 0.526865 0.606961
+2627 2 0.571686 0.51413 0.625985
+2628 2 0.55672 0.529509 0.592666
+2634 2 0.489961 0.56915 0.660835
+5004 2 0.949024 0.908326 0.652022
+2641 1 0.589242 0.674512 0.662899
+2642 2 0.59301 0.700458 0.66305
+2658 2 0.539393 0.516088 0.663315
+2743 1 0.508664 0.76663 0.361986
+2745 2 0.509533 0.750701 0.379677
+2749 1 0.562294 0.84282 0.419015
+2750 2 0.577571 0.836626 0.438113
+2751 2 0.5747 0.826468 0.40325
+2767 1 0.555703 0.691448 0.548136
+2768 2 0.565285 0.714365 0.538038
+2769 2 0.521341 0.695746 0.552288
+2770 1 0.533987 0.649514 0.497913
+2771 2 0.56308 0.634291 0.497504
+2772 2 0.53865 0.664385 0.51672
+2773 1 0.506949 0.759846 0.467404
+2776 1 0.560322 0.67922 0.446603
+2777 2 0.545781 0.665703 0.463386
+2778 2 0.586111 0.69239 0.45662
+2791 1 0.582872 0.745508 0.663748
+2793 2 0.58124 0.761462 0.645611
+2794 1 0.668247 0.741598 0.593583
+2795 2 0.67244 0.735582 0.615728
+2796 2 0.66019 0.718828 0.583289
+2797 1 0.587903 0.785211 0.612678
+2798 2 0.612791 0.777051 0.598994
+2799 2 0.592051 0.810769 0.614554
+3643 1 0.505982 0.525532 0.57625
+2911 1 0.509114 0.948133 0.428057
+2912 2 0.528199 0.931135 0.415668
+2919 2 0.540457 0.9849 0.430848
+2929 1 0.502618 0.908931 0.487672
+2930 2 0.503452 0.928435 0.472158
+2932 1 0.508716 0.999983 0.360915
+2935 1 0.608956 0.815645 0.539049
+2936 2 0.625182 0.835167 0.550956
+2937 2 0.57667 0.817251 0.547249
+2938 1 0.612357 0.893233 0.54445
+2939 2 0.577908 0.891433 0.549866
+2940 2 0.612924 0.907404 0.525326
+2941 1 0.51623 0.897221 0.543956
+2942 2 0.514119 0.904114 0.521528
+2944 1 0.511099 0.827049 0.502016
+2946 2 0.524379 0.848234 0.492034
+2953 1 0.577709 0.85916 0.618379
+2954 2 0.547815 0.846344 0.621761
+2955 2 0.567434 0.88402 0.615589
+2962 1 0.715734 0.865645 0.638537
+2963 2 0.751422 0.8646 0.635249
+2964 2 0.70972 0.888669 0.649978
+2971 1 0.523542 0.824332 0.562995
+2972 2 0.513719 0.809896 0.545395
+2973 2 0.516832 0.848781 0.555954
+2977 1 0.550065 0.92396 0.613565
+2978 2 0.567583 0.94213 0.602438
+2979 2 0.53376 0.938355 0.629088
+3113 2 0.726334 0.998573 0.401652
+3114 2 0.726337 0.988596 0.367088
+3115 1 0.679431 0.964994 0.349712
+3116 2 0.659307 0.943468 0.345926
+3117 2 0.657367 0.982791 0.358843
+3118 1 0.665158 0.987357 0.516482
+3120 2 0.680731 0.971388 0.531654
+3130 1 0.824731 0.932694 0.600772
+3131 2 0.855211 0.927765 0.591051
+3132 2 0.829846 0.952345 0.615413
+3136 1 0.786157 0.977903 0.560798
+3137 2 0.792509 0.958311 0.575573
+3138 2 0.758054 0.990052 0.568958
+3139 1 0.686095 0.960033 0.610303
+3140 2 0.692675 0.945944 0.590868
+3141 2 0.696648 0.942743 0.626479
+3412 1 0.677292 0.504519 0.397472
+3413 2 0.658925 0.515394 0.381009
+3416 2 0.778888 0.50609 0.428203
+3421 1 0.930614 0.503436 0.35234
+3422 2 0.903706 0.509029 0.339103
+3447 2 0.928552 0.504811 0.572564
+3642 2 0.629011 0.501088 0.600619
+3466 1 0.728699 0.509344 0.548105
+3468 2 0.697928 0.497956 0.546934
+3469 1 0.690568 0.522786 0.644266
+3470 2 0.683152 0.509814 0.625103
+3471 2 0.714607 0.540524 0.638163
+3577 1 0.677131 0.691872 0.354926
+3578 2 0.658632 0.671827 0.345847
+3579 2 0.652811 0.705476 0.3664
+3580 1 0.606234 0.641855 0.398427
+3581 2 0.635435 0.630954 0.406849
+3582 2 0.593536 0.655208 0.416198
+3583 1 0.838073 0.590867 0.39927
+3584 2 0.838497 0.567321 0.40919
+3585 2 0.865104 0.604403 0.407416
+3586 1 0.83972 0.702078 0.358671
+3587 2 0.873403 0.697453 0.362172
+3588 2 0.831212 0.724828 0.368769
+3589 1 0.753886 0.678981 0.387407
+3590 2 0.781531 0.676106 0.374046
+3591 2 0.728471 0.681924 0.371799
+3592 1 0.741859 0.589434 0.386382
+3593 2 0.776926 0.588387 0.386936
+3594 2 0.73328 0.574008 0.368771
+3598 1 0.678147 0.602123 0.427654
+3599 2 0.705451 0.609175 0.440479
+3600 2 0.695959 0.595466 0.408692
+3601 1 0.907303 0.558936 0.451951
+3602 2 0.881348 0.541975 0.451055
+3603 2 0.925001 0.554336 0.43317
+3604 1 0.798345 0.526286 0.645291
+3605 2 0.781998 0.544395 0.632386
+3606 2 0.815699 0.541979 0.660063
+3607 1 0.796755 0.603643 0.578568
+3608 2 0.793554 0.627798 0.56918
+3609 2 0.80909 0.588542 0.561476
+3610 1 0.81067 0.518729 0.497827
+3611 2 0.822303 0.540753 0.507218
+3612 2 0.839659 0.509061 0.489214
+3613 1 0.643548 0.689507 0.48104
+3614 2 0.645017 0.704578 0.499641
+3615 2 0.666284 0.699323 0.465768
+3616 1 0.740204 0.561584 0.474194
+3617 2 0.756829 0.580727 0.462556
+3618 2 0.762312 0.542531 0.480575
+3622 1 0.743198 0.577851 0.620849
+3623 2 0.710243 0.576223 0.612512
+3624 2 0.762327 0.588282 0.603388
+3625 1 0.695553 0.631593 0.566434
+3626 2 0.704776 0.612127 0.552198
+3627 2 0.68466 0.618839 0.584591
+3628 1 0.76396 0.686574 0.609808
+3629 2 0.733511 0.67341 0.609881
+3630 2 0.755702 0.709747 0.600407
+3634 1 0.893366 0.62865 0.579127
+3635 2 0.867004 0.611105 0.579716
+3636 2 0.875746 0.651915 0.577341
+3637 1 0.817229 0.673552 0.66134
+3638 2 0.803072 0.683083 0.64251
+3647 2 0.760196 0.604089 0.651714
+3748 1 0.744337 0.772056 0.418932
+3749 2 0.748033 0.78673 0.437893
+3750 2 0.723209 0.751099 0.422816
+3751 1 0.823043 0.76581 0.386312
+3752 2 0.793821 0.761725 0.398676
+3753 2 0.840618 0.783862 0.398796
+3757 1 0.859629 0.797261 0.43532
+3758 2 0.882927 0.802794 0.452553
+3759 2 0.848631 0.772899 0.440095
+3766 1 0.589823 0.804635 0.370727
+3767 2 0.563672 0.791255 0.359757
+3768 2 0.615786 0.808995 0.355751
+3769 1 0.593457 0.763741 0.445675
+3770 2 0.607383 0.785261 0.456091
+3771 2 0.560235 0.761872 0.453441
+3772 1 0.564478 0.750193 0.520294
+3773 2 0.581729 0.772426 0.525648
+3774 2 0.548055 0.756771 0.500939
+3775 1 0.730944 0.717866 0.525095
+3776 2 0.748017 0.72964 0.542371
+3777 2 0.70599 0.703097 0.535638
+3778 1 0.76499 0.692143 0.471658
+3779 2 0.757994 0.702413 0.492532
+3780 2 0.739076 0.700158 0.458166
+3781 1 0.828259 0.810997 0.506846
+3782 2 0.840127 0.803772 0.527032
+3783 2 0.858422 0.816672 0.497159
+3784 1 0.706623 0.574458 0.528639
+3785 2 0.713336 0.569284 0.506287
+3786 2 0.715674 0.552752 0.539999
+3787 1 0.62247 0.73613 0.392625
+3788 2 0.614079 0.748588 0.411905
+3789 2 0.613105 0.7556 0.378732
+3790 1 0.653041 0.688513 0.54841
+3791 2 0.618529 0.683596 0.550323
+3792 2 0.671139 0.666388 0.553104
+3793 1 0.747562 0.84832 0.56873
+3794 2 0.76297 0.83398 0.584688
+3795 2 0.714229 0.850437 0.574127
+3802 1 0.841559 0.687804 0.575061
+3803 2 0.811553 0.68814 0.587054
+3804 2 0.863583 0.706813 0.581148
+3805 1 0.677713 0.735504 0.65389
+3806 2 0.644385 0.740661 0.658411
+4991 2 0.817975 0.829642 0.617358
+3811 1 0.53299 0.616088 0.574456
+3812 2 0.55402 0.597447 0.56682
+3813 2 0.554053 0.636149 0.575707
+3835 1 0.677497 0.655346 0.633655
+3836 2 0.700599 0.648 0.649436
+3837 2 0.648153 0.663541 0.643609
+3913 1 0.729214 0.88576 0.394923
+3914 2 0.706173 0.90002 0.383618
+3915 2 0.726957 0.860433 0.387909
+3916 1 0.625239 0.944883 0.436937
+3917 2 0.619974 0.938445 0.458838
+3918 2 0.609301 0.968116 0.43331
+3919 1 0.819238 0.891626 0.364399
+3920 2 0.801535 0.883349 0.382772
+3921 2 0.833649 0.915549 0.36905
+3922 1 0.723619 0.96373 0.451892
+3923 2 0.694537 0.956487 0.441076
+3924 2 0.723173 0.949292 0.47045
+3928 1 0.725047 0.820756 0.373718
+3929 2 0.731466 0.803696 0.390649
+3930 2 0.738173 0.809105 0.355353
+3934 1 0.618125 0.910239 0.34166
+3935 2 0.603702 0.909449 0.36211
+3937 1 0.574888 0.908474 0.396304
+3938 2 0.569745 0.883994 0.403986
+3939 2 0.598846 0.918434 0.410392
+3942 2 0.701037 0.996826 0.627253
+3943 1 0.855578 0.995372 0.517652
+3944 2 0.834886 0.986693 0.533367
+3945 2 0.836122 0.990842 0.499699
+3946 1 0.727587 0.913462 0.495676
+3947 2 0.714999 0.897148 0.479754
+3948 2 0.753141 0.899235 0.504565
+3952 1 0.684113 0.779069 0.506898
+3953 2 0.654027 0.783865 0.517285
+3954 2 0.700492 0.759357 0.517205
+3955 1 0.618198 0.830131 0.469119
+3956 2 0.644592 0.846621 0.464355
+3957 2 0.618602 0.829001 0.491701
+3958 1 0.69349 0.932156 0.552331
+3959 2 0.709664 0.928023 0.532271
+3960 2 0.668011 0.914231 0.555075
+3961 1 0.807476 0.870237 0.635295
+3962 2 0.815518 0.877903 0.656376
+3963 2 0.817538 0.890259 0.621289
+3970 1 0.928829 0.902065 0.589165
+3971 2 0.930489 0.916357 0.569755
+3972 2 0.960543 0.890263 0.589293
+3976 1 0.758517 0.749997 0.577908
+3977 2 0.777244 0.769497 0.586909
+3978 2 0.724396 0.754226 0.582475
+3979 1 0.659471 0.845916 0.593795
+3980 2 0.626943 0.853329 0.599913
+3981 2 0.682379 0.850494 0.61031
+3982 1 0.977178 0.82952 0.657785
+3983 2 0.981163 0.855196 0.654376
+4123 1 0.814185 0.97608 0.462602
+4124 2 0.780903 0.974093 0.455661
+4125 2 0.82913 0.990209 0.446157
+4152 2 0.926197 0.998207 0.623395
+4567 1 0.826721 0.562125 0.339444
+4568 2 0.838925 0.574924 0.35757
+4586 2 0.92907 0.643609 0.347582
+4588 1 0.945079 0.65541 0.386416
+4589 2 0.940432 0.680286 0.39466
+4590 2 0.976794 0.645858 0.392086
+4597 1 0.924865 0.807639 0.367263
+4598 2 0.900539 0.816337 0.352794
+4599 2 0.931786 0.782496 0.363338
+4609 1 0.952904 0.552708 0.399464
+4610 2 0.953726 0.538445 0.381179
+4611 2 0.983336 0.564249 0.402966
+4612 1 0.847819 0.730869 0.45192
+4613 2 0.818935 0.718421 0.458211
+4614 2 0.874625 0.71707 0.459765
+5002 1 0.914956 0.90737 0.647107
+4618 1 0.914913 0.630682 0.439649
+4619 2 0.926837 0.63269 0.418365
+4620 2 0.914905 0.605653 0.445892
+4621 1 0.918486 0.690001 0.475366
+4622 2 0.944921 0.704262 0.466067
+4623 2 0.917321 0.667528 0.462272
+4627 1 0.843824 0.517223 0.417097
+4628 2 0.86816 0.502183 0.425776
+4629 2 0.834532 0.505559 0.398117
+4633 1 0.84634 0.570183 0.531353
+4634 2 0.837241 0.593753 0.521853
+4635 2 0.879919 0.567614 0.526617
+4644 2 0.992558 0.534074 0.593544
+4651 1 0.819339 0.512911 0.570422
+4652 2 0.784322 0.511523 0.568618
+4653 2 0.82803 0.529793 0.553881
+4673 2 0.910738 0.503215 0.659894
+4742 2 0.844556 0.859628 0.347048
+4755 2 0.804436 0.77715 0.352453
+4756 1 0.916675 0.866998 0.400893
+4757 2 0.884824 0.866612 0.410716
+4758 2 0.919952 0.842796 0.390438
+4760 2 0.9736 0.878891 0.385982
+4764 2 0.959982 0.833101 0.335829
+4777 1 0.749433 0.805291 0.472379
+4778 2 0.7249 0.797766 0.487345
+4779 2 0.778866 0.806827 0.484825
+4780 1 0.934487 0.680821 0.533596
+4781 2 0.93466 0.655552 0.539937
+4782 2 0.924061 0.680425 0.511809
+4786 1 0.918313 0.752202 0.511632
+4787 2 0.894937 0.758902 0.527463
+4788 2 0.918955 0.725675 0.511762
+4789 1 0.987366 0.854766 0.504939
+4790 2 0.992205 0.837313 0.52271
+4791 2 0.999602 0.878236 0.511949
+4792 1 0.933554 0.720556 0.408149
+4793 2 0.958265 0.725651 0.422756
+4794 2 0.905688 0.732985 0.416385
+4795 1 0.696239 0.707382 0.42766
+4796 2 0.671114 0.71292 0.412679
+4797 2 0.718148 0.691595 0.415942
+4801 1 0.866069 0.785383 0.559638
+4802 2 0.897511 0.784872 0.568918
+4803 2 0.844325 0.793053 0.575708
+4805 2 0.880371 0.656674 0.662742
+4806 2 0.928859 0.640403 0.648677
+5003 2 0.915345 0.904885 0.624503
+4816 1 0.965985 0.625337 0.616072
+4817 2 0.969857 0.599611 0.619656
+4818 2 0.939116 0.626461 0.601027
+4819 1 0.807913 0.632635 0.516629
+4820 2 0.825288 0.653949 0.522784
+4821 2 0.793863 0.636407 0.496613
+4822 1 0.937597 0.708402 0.590491
+4823 2 0.965368 0.69852 0.60087
+4824 2 0.937338 0.698524 0.569687
+4924 1 0.863247 0.95179 0.376675
+4925 2 0.87874 0.944509 0.395777
+4926 2 0.860818 0.977758 0.377297
+4942 1 0.918983 0.813433 0.48226
+4943 2 0.924344 0.790252 0.493341
+4944 2 0.942047 0.831363 0.490232
+4945 1 0.90943 0.930332 0.429416
+4946 2 0.891824 0.923845 0.447343
+4947 2 0.917413 0.907769 0.419916
+4951 1 0.946228 0.941589 0.536952
+4952 2 0.920197 0.956968 0.531291
+4953 2 0.965647 0.937272 0.51852
+4954 1 0.85188 0.911802 0.480322
+4955 2 0.837905 0.899292 0.498516
+4956 2 0.833533 0.933573 0.474847
+4963 1 0.706615 0.865933 0.455119
+4964 2 0.716023 0.870349 0.434149
+4965 2 0.720529 0.84284 0.460601
+4966 1 0.834996 0.868828 0.431197
+4967 2 0.837887 0.883417 0.449783
+4968 2 0.830613 0.843695 0.436318
+4992 2 0.835024 0.790221 0.621348
+4978 1 0.940519 0.777791 0.597799
+4979 2 0.922666 0.781368 0.617224
+4980 2 0.942229 0.75131 0.594011
+4981 1 0.879264 0.974919 0.641599
+4982 2 0.893881 0.951944 0.646802
+4983 2 0.853798 0.97631 0.657017
+4984 1 0.994452 0.802867 0.546213
+4986 2 0.980922 0.80322 0.567001
+4987 1 0.799237 0.873927 0.521223
+4988 2 0.814265 0.850722 0.516808
+4989 2 0.781258 0.866732 0.539811
+4990 1 0.814508 0.805458 0.6082
+2631 2 0.608258 0.620173 0.658924
+2643 2 0.556039 0.671884 0.658752
+2657 2 0.585009 0.498928 0.671087
+3639 2 0.794202 0.654479 0.666862
+3896 2 0.780189 0.888799 0.336114
+5040 2 0.845064 0.907894 0.922313
+671 2 0.990676 0.590675 0.985066
+795 2 0.983958 0.72218 0.783823
+1004 2 0.990737 0.711394 0.880361
+5039 2 0.835459 0.913304 0.886145
+1642 1 0.616096 0.519079 0.845405
+1643 2 0.599312 0.511656 0.864126
+1644 2 0.650502 0.516025 0.848606
+1783 1 0.539551 0.695146 0.739523
+1784 2 0.559265 0.674211 0.743948
+1785 2 0.514764 0.686045 0.72572
+5038 1 0.844547 0.894835 0.901882
+2035 1 0.537462 0.991485 0.900304
+2037 2 0.532112 0.966348 0.893721
+2153 2 0.508859 0.943374 0.676902
+2506 1 0.638983 0.611323 0.839761
+2507 2 0.670566 0.611279 0.850597
+2508 2 0.642369 0.596633 0.820765
+2530 1 0.608448 0.592717 0.99252
+2531 2 0.626784 0.615645 0.99457
+2532 2 0.575131 0.598514 0.998206
+2623 1 0.636316 0.502145 0.741217
+2625 2 0.625138 0.516925 0.723505
+2629 1 0.605749 0.598 0.670663
+2630 2 0.580439 0.601293 0.686131
+3693 2 0.879308 0.506362 0.751281
+2632 1 0.504668 0.55275 0.675844
+2633 2 0.521149 0.568241 0.690761
+1170 2 1.00139 0.927789 0.945191
+2646 2 0.5114 0.57961 0.838491
+2649 2 0.506489 0.50872 0.876229
+2650 1 0.630786 0.577825 0.783372
+2651 2 0.602656 0.562297 0.785109
+2652 2 0.657209 0.56124 0.787035
+2653 1 0.556072 0.583745 0.864516
+2654 2 0.553723 0.601746 0.881372
+2655 2 0.585403 0.590267 0.853211
+2662 1 0.700058 0.517222 0.784029
+2664 2 0.679424 0.518123 0.765285
+2674 1 0.744369 0.646107 0.810128
+2675 2 0.734549 0.639243 0.831103
+2676 2 0.745236 0.622357 0.800605
+2686 1 0.560139 0.509186 0.89679
+2687 2 0.558578 0.535336 0.90099
+2705 2 0.510694 0.634366 0.988337
+2792 2 0.559441 0.756738 0.677475
+2809 1 0.574746 0.631478 0.765628
+2810 2 0.597292 0.612997 0.773426
+2811 2 0.569485 0.64641 0.783928
+2815 1 0.533208 0.676338 0.813497
+2816 2 0.535242 0.698413 0.801387
+2817 2 0.558956 0.679017 0.828514
+2818 1 0.67963 0.707521 0.75159
+2819 2 0.71038 0.719761 0.751107
+2820 2 0.663501 0.715561 0.770314
+2821 1 0.532113 0.798924 0.832509
+2822 2 0.559703 0.81323 0.839267
+2823 2 0.54104 0.78332 0.815692
+2824 1 0.541784 0.60038 0.714423
+2825 2 0.55503 0.611928 0.73282
+2826 2 0.507134 0.600325 0.717714
+2827 1 0.555969 0.537104 0.799611
+2828 2 0.574174 0.527805 0.817011
+2829 2 0.533159 0.554183 0.808215
+2830 1 0.511932 0.766825 0.884605
+2832 2 0.522165 0.782864 0.867805
+2833 1 0.680363 0.741795 0.858639
+2834 2 0.708763 0.726809 0.854089
+2835 2 0.666082 0.744815 0.838083
+2836 1 0.637604 0.775854 0.978308
+2837 2 0.617601 0.776803 0.997652
+2838 2 0.632461 0.798936 0.967686
+2839 1 0.58541 0.74044 0.91108
+2840 2 0.556604 0.745695 0.8991
+2841 2 0.606453 0.76129 0.911745
+2842 1 0.67294 0.716004 0.959431
+2843 2 0.65382 0.736792 0.968325
+2844 2 0.689311 0.727137 0.941421
+2846 2 0.576165 0.697703 0.984515
+2848 1 0.547205 0.625381 0.91144
+2849 2 0.556306 0.64683 0.923295
+2850 2 0.548257 0.602784 0.923517
+2959 1 0.70751 0.925785 0.671663
+2960 2 0.705768 0.908369 0.688985
+2961 2 0.683131 0.942393 0.679704
+2968 1 0.602181 0.901022 0.709448
+2969 2 0.576609 0.900687 0.694414
+2970 2 0.608234 0.876279 0.716119
+2986 1 0.567234 0.93651 0.829626
+2987 2 0.549624 0.928576 0.847907
+2988 2 0.543809 0.952622 0.81891
+2992 1 0.52424 0.758242 0.708455
+2993 2 0.532389 0.738417 0.721585
+2994 2 0.53534 0.781314 0.716092
+3010 1 0.511037 0.917095 0.880441
+5037 2 0.619315 0.939334 0.822207
+5036 2 0.662793 0.964049 0.833106
+3151 1 0.673079 0.95407 0.934732
+3152 2 0.651949 0.940069 0.921421
+3153 2 0.702357 0.940703 0.935132
+3154 1 0.765201 0.982517 0.802764
+3155 2 0.745549 0.9645 0.792306
+3156 2 0.752813 0.986115 0.823301
+3162 2 0.593402 0.994898 0.741162
+3178 1 0.927435 0.984941 0.84232
+3179 2 0.908199 0.978731 0.860397
+3180 2 0.908206 0.979792 0.82402
+3460 1 0.630597 0.534243 0.685082
+3461 2 0.615827 0.558603 0.683564
+3507 2 0.703121 0.50669 0.825025
+3517 1 0.657574 0.564031 0.921387
+3518 2 0.62431 0.556204 0.920242
+3519 2 0.659471 0.590609 0.924468
+4870 1 0.996465 0.711949 0.94802
+3527 2 0.671359 0.52346 0.94043
+3538 1 0.754964 0.584089 0.978162
+3539 2 0.733275 0.570097 0.991127
+3540 2 0.752995 0.608584 0.986158
+3631 1 0.796098 0.569536 0.719047
+3632 2 0.815449 0.551059 0.730327
+3633 2 0.763481 0.559231 0.718699
+5034 2 0.984748 0.825406 0.836123
+3646 1 0.761684 0.622656 0.667475
+3648 2 0.757205 0.61031 0.686872
+3649 1 0.701602 0.613081 0.724223
+3650 2 0.671221 0.61468 0.734941
+3651 2 0.703237 0.587079 0.719268
+3652 1 0.612287 0.679212 0.845132
+3653 2 0.621613 0.653093 0.841446
+3654 2 0.629551 0.68775 0.863614
+3655 1 0.891316 0.703503 0.875908
+3656 2 0.878014 0.728329 0.877846
+3657 2 0.873374 0.689105 0.891083
+3661 1 0.77367 0.652007 0.752225
+3662 2 0.75256 0.634268 0.742272
+3663 2 0.760364 0.6578 0.772613
+3664 1 0.709791 0.54325 0.710871
+3665 2 0.678885 0.542172 0.700221
+3666 2 0.724088 0.519548 0.704812
+3670 1 0.744927 0.572076 0.80829
+3671 2 0.778546 0.567292 0.806739
+3672 2 0.729971 0.549712 0.801138
+3673 1 0.725057 0.622046 0.866297
+3674 2 0.721667 0.628141 0.888059
+3675 2 0.738219 0.597412 0.866492
+3676 1 0.668127 0.633334 0.920642
+3677 2 0.642932 0.648367 0.9298
+3678 2 0.696045 0.646404 0.928444
+3679 1 0.756084 0.656319 0.93341
+3680 2 0.77697 0.674733 0.925445
+3681 2 0.772575 0.633812 0.928232
+3682 1 0.79885 0.59386 0.917628
+3683 2 0.805115 0.588723 0.93961
+3684 2 0.776213 0.576185 0.908458
+3688 1 0.734349 0.551814 0.887705
+3689 2 0.705308 0.553049 0.900972
+3690 2 0.728973 0.532534 0.871773
+3691 1 0.859296 0.522154 0.737911
+3692 2 0.881716 0.541657 0.732612
+3694 1 0.564732 0.559785 0.943
+3695 2 0.54218 0.54013 0.947676
+3696 2 0.580396 0.567981 0.962347
+3796 1 0.534041 0.834121 0.724738
+3797 2 0.509031 0.84016 0.709808
+3798 2 0.523049 0.84495 0.744026
+3799 1 0.629693 0.835912 0.735421
+3800 2 0.595731 0.829824 0.733426
+3801 2 0.645245 0.824964 0.717503
+3807 2 0.688368 0.716863 0.668203
+3808 1 0.689828 0.818687 0.684909
+3810 2 0.696208 0.793432 0.680395
+3814 1 0.713636 0.880082 0.716561
+3815 2 0.70098 0.856493 0.709155
+3816 2 0.697444 0.885504 0.736151
+3817 1 0.637092 0.730299 0.801798
+3818 2 0.628524 0.709577 0.815428
+3819 2 0.604917 0.739608 0.797292
+3820 1 0.809191 0.717186 0.924354
+3821 2 0.78173 0.732725 0.926314
+3822 2 0.829579 0.731251 0.911071
+3823 1 0.748488 0.70647 0.839108
+3824 2 0.78095 0.71679 0.837686
+3825 2 0.748182 0.684219 0.826233
+3826 1 0.704803 0.840704 0.809337
+3827 2 0.72906 0.823008 0.804765
+3828 2 0.680061 0.837038 0.794106
+3829 1 0.671535 0.884165 0.852451
+3830 2 0.666127 0.906182 0.840681
+3831 2 0.688987 0.868852 0.838246
+3832 1 0.69988 0.681876 0.697109
+3833 2 0.701392 0.656124 0.701939
+3834 2 0.685088 0.691819 0.716068
+3838 1 0.551136 0.744016 0.78483
+3839 2 0.549391 0.728438 0.76686
+3840 2 0.518397 0.749732 0.790202
+3841 1 0.758391 0.770203 0.801983
+3842 2 0.789165 0.762605 0.794734
+3843 2 0.735373 0.751532 0.79754
+3844 1 0.734588 0.757147 0.923392
+3845 2 0.754039 0.777975 0.930591
+3846 2 0.730896 0.759808 0.901052
+3850 1 0.932904 0.666914 0.973855
+3851 2 0.9139 0.658139 0.990676
+3852 2 0.957615 0.649052 0.972078
+3853 1 0.908559 0.848257 0.89781
+3854 2 0.878576 0.863244 0.900394
+3855 2 0.924492 0.859484 0.880213
+3856 1 0.84732 0.703026 0.97937
+3857 2 0.833217 0.710301 0.959355
+3858 2 0.875749 0.689016 0.974556
+3859 1 0.598654 0.679452 0.946287
+3860 2 0.628864 0.686401 0.956595
+3861 2 0.590979 0.700879 0.933315
+3862 1 0.753082 0.769522 0.991288
+3863 2 0.745366 0.754262 0.973583
+3880 1 0.639182 0.85514 0.99374
+3881 2 0.62199 0.856766 0.97432
+3884 2 0.515669 0.926273 0.985884
+3886 1 0.755862 0.922132 0.947477
+3887 2 0.74109 0.898185 0.945779
+3888 2 0.76203 0.925482 0.96934
+3967 1 0.800701 0.853724 0.729014
+3968 2 0.826334 0.866199 0.717352
+3969 2 0.771824 0.862163 0.718395
+3984 2 0.977998 0.824132 0.679714
+3985 1 0.653776 0.981327 0.689701
+3986 2 0.664933 0.99512 0.708297
+3987 2 0.664225 0.996064 0.672153
+3989 2 0.766262 0.993988 0.878506
+3994 1 0.709525 0.936512 0.769991
+3995 2 0.690722 0.947925 0.75389
+3996 2 0.687438 0.928223 0.785896
+4000 1 0.608262 0.947035 0.751581
+4001 2 0.603197 0.934311 0.731642
+4002 2 0.592886 0.932627 0.767358
+4009 1 0.641984 0.955854 0.995587
+4010 2 0.651667 0.957516 0.974111
+4016 2 0.688597 1.00001 0.919862
+4018 1 0.727434 0.834 0.890455
+4019 2 0.733724 0.856549 0.880098
+4020 2 0.735622 0.838629 0.9118
+4021 1 0.718528 0.860881 0.956419
+4022 2 0.741892 0.855326 0.972104
+4023 2 0.686805 0.857262 0.964854
+4024 1 0.647314 0.795243 0.89606
+4025 2 0.677827 0.808229 0.896031
+4026 2 0.658285 0.77216 0.888172
+4027 1 0.601119 0.83252 0.854833
+4028 2 0.62525 0.85143 0.854378
+4029 2 0.616571 0.815558 0.869035
+4030 1 0.616071 0.913402 0.899545
+4031 2 0.582747 0.910952 0.893305
+4032 2 0.636868 0.903465 0.88379
+4053 2 0.765198 0.977426 0.998005
+4133 2 0.886949 0.997433 0.711373
+4153 1 0.860975 0.963883 0.805535
+4154 2 0.826811 0.969014 0.8054
+4155 2 0.862562 0.937632 0.803131
+2831 2 0.499417 0.782293 0.900802
+4164 2 0.969328 1.00729 0.875967
+4165 1 0.856479 0.889654 0.821361
+4166 2 0.832443 0.893994 0.805428
+4167 2 0.851413 0.863824 0.825736
+4168 1 0.946289 0.980908 0.712748
+4169 2 0.956735 0.993542 0.731705
+4170 2 0.953292 0.95526 0.713628
+4171 1 0.800947 0.950657 0.671753
+4172 2 0.815251 0.936049 0.688001
+4173 2 0.76656 0.948543 0.672988
+4174 1 0.862547 0.891235 0.698037
+4175 2 0.888682 0.890834 0.713701
+4176 2 0.883179 0.896757 0.679909
+4195 1 0.848951 0.989861 0.958292
+4197 2 0.858921 0.967412 0.968838
+4369 1 0.952379 0.501505 0.941562
+4370 2 0.968363 0.517457 0.956867
+4552 1 0.946017 0.613308 0.895962
+4553 2 0.913065 0.623721 0.896737
+4554 2 0.951262 0.600334 0.91531
+4555 1 0.747081 0.669257 0.994049
+4557 2 0.744998 0.670291 0.971654
+4636 1 0.944355 0.713076 0.700236
+4637 2 0.944753 0.687157 0.696002
+4638 2 0.97386 0.721214 0.689763
+4645 1 0.963479 0.625531 0.714664
+4646 2 0.949204 0.6071 0.727564
+4647 2 0.94157 0.627503 0.697262
+4650 2 0.986633 0.537747 0.675345
+4654 1 0.858036 0.57408 0.67569
+4655 2 0.873013 0.598275 0.673542
+4656 2 0.833006 0.578787 0.69235
+4657 1 0.923634 0.576298 0.819577
+4658 2 0.907946 0.59919 0.825284
+4659 2 0.895868 0.560043 0.823448
+4660 1 0.846221 0.535437 0.832213
+4661 2 0.846882 0.537294 0.854335
+4662 2 0.826877 0.513918 0.828193
+4664 2 0.983944 0.508489 0.81488
+4665 2 0.979049 0.549568 0.811029
+4669 1 0.867086 0.640214 0.830991
+4670 2 0.870144 0.664701 0.839441
+4671 2 0.866364 0.641802 0.808411
+4672 1 0.929046 0.52122 0.672028
+4674 2 0.906252 0.54024 0.678152
+4681 1 0.856892 0.635614 0.889458
+4682 2 0.854066 0.629588 0.866862
+4683 2 0.832335 0.620433 0.90065
+4684 1 0.974885 0.792151 0.864148
+4685 2 0.944863 0.800225 0.87315
+4686 2 0.985023 0.770052 0.874396
+4687 1 0.897509 0.56528 0.961643
+4688 2 0.86798 0.552047 0.958857
+4689 2 0.904673 0.559429 0.982907
+4690 1 0.956829 0.521749 0.881412
+4691 2 0.955566 0.515744 0.903486
+4692 2 0.935089 0.541985 0.879999
+4702 1 0.815861 0.527994 0.963743
+4703 2 0.788759 0.545157 0.963902
+4704 2 0.809788 0.510209 0.946278
+4705 1 0.778076 0.844894 0.997682
+4714 1 0.986164 0.811898 0.975714
+4715 2 0.991834 0.787983 0.984415
+4717 1 0.891248 0.807203 0.942792
+4718 2 0.899678 0.825083 0.926376
+4719 2 0.917447 0.806396 0.957898
+4723 1 0.794892 0.809377 0.938747
+4724 2 0.784955 0.824331 0.956305
+4725 2 0.829686 0.807812 0.941766
+4726 1 0.92781 0.867435 0.987618
+4727 2 0.946978 0.887705 0.995839
+4728 2 0.951047 0.848961 0.981865
+4804 1 0.910455 0.644157 0.667907
+4825 1 0.841773 0.731273 0.803925
+4826 2 0.851639 0.709305 0.793203
+4827 2 0.870084 0.747006 0.806447
+4828 1 0.838747 0.820341 0.830297
+4829 2 0.825958 0.799536 0.841844
+4830 2 0.862412 0.809218 0.816347
+4831 1 0.947339 0.695853 0.806702
+4832 2 0.924451 0.68144 0.795539
+4833 2 0.956123 0.682006 0.82517
+4834 1 0.92728 0.573428 0.750196
+4835 2 0.955805 0.559323 0.747769
+4836 2 0.921151 0.572157 0.772064
+4837 1 0.940754 0.892571 0.851467
+4838 2 0.907605 0.89557 0.844235
+4839 2 0.954369 0.876121 0.835729
+4840 1 0.857967 0.695908 0.717287
+4841 2 0.840053 0.686554 0.699561
+4842 2 0.88859 0.704294 0.708139
+4843 1 0.83117 0.777486 0.710433
+4844 2 0.801341 0.763888 0.713148
+4845 2 0.822791 0.802044 0.716346
+4846 1 0.768346 0.726722 0.727166
+4847 2 0.752754 0.705335 0.717918
+4848 2 0.801441 0.718301 0.730589
+4849 1 0.773691 0.78256 0.862527
+4850 2 0.763346 0.778 0.84092
+4851 2 0.751891 0.801117 0.870149
+4852 1 0.857156 0.76429 0.893483
+4853 2 0.827021 0.773118 0.884466
+4854 2 0.870792 0.784042 0.906067
+4864 1 0.9663 0.67066 0.862034
+4865 2 0.934018 0.68266 0.866871
+4866 2 0.963508 0.645643 0.870987
+4867 1 0.861012 0.668484 0.772282
+4868 2 0.830276 0.657083 0.76912
+4869 2 0.863524 0.679999 0.752121
+5035 1 0.655215 0.94144 0.822498
+4872 2 0.967688 0.69932 0.955641
+4888 1 0.864278 0.915055 0.962787
+4889 2 0.8395 0.91222 0.97776
+4890 2 0.890064 0.900587 0.969976
+4891 1 0.602342 0.858752 0.940668
+4892 2 0.589875 0.840807 0.926913
+4893 2 0.614779 0.878376 0.928445
+4975 1 0.909314 0.78688 0.800753
+4976 2 0.91636 0.77971 0.779279
+4977 2 0.931296 0.80475 0.808943
+4993 1 0.9382 0.879555 0.728209
+4994 2 0.968877 0.888823 0.736013
+4995 2 0.941763 0.855032 0.719587
+4996 1 0.805203 0.906045 0.772594
+4997 2 0.804055 0.885105 0.758131
+4998 2 0.772599 0.915367 0.772777
+5006 2 0.985946 0.920715 0.860706
+5008 1 0.919935 0.764019 0.744264
+5009 2 0.93017 0.74136 0.734447
+5010 2 0.887449 0.766024 0.735361
+5012 2 0.865547 0.773294 0.669852
+5014 1 0.970404 0.811916 0.714265
+5015 2 0.947417 0.796205 0.724924
+5017 1 0.790429 0.976819 0.911183
+5018 2 0.814735 0.984981 0.925612
+5019 2 0.775183 0.956885 0.921724
+5023 1 0.965884 0.899528 0.923689
+5024 2 0.948679 0.876545 0.919715
+5025 2 0.96834 0.912571 0.903923
+5029 1 0.893583 0.98032 0.897416
+5030 2 0.894442 0.974536 0.919157
+5032 1 0.974743 0.842758 0.821025
+4556 2 0.780665 0.671645 0.999021
+3462 2 0.649823 0.52947 0.666151
+3809 2 0.69328 0.832309 0.665253
+ITEM: TIMESTEP
+100
+ITEM: NUMBER OF ATOMS
+5040
+ITEM: BOX BOUNDS
+0 29
+0 38.2612
+0 44.7998
+ITEM: ATOMS
+6 2 0.00372477 0.291215 0.0324632
+7 1 0.256845 0.144859 0.0727704
+8 2 0.243141 0.159296 0.0547819
+9 2 0.23176 0.128932 0.0805846
+10 1 0.324178 0.0988625 0.060807
+11 2 0.297528 0.116842 0.0636873
+12 2 0.338132 0.108951 0.0412638
+13 1 0.117839 0.27383 0.0360284
+14 2 0.0949636 0.270984 0.0190153
+15 2 0.101059 0.262461 0.0532858
+16 1 0.251887 0.0238977 0.051254
+17 2 0.222236 0.0369897 0.046751
+18 2 0.252053 0.0041433 0.0359631
+4266 2 0.0154978 0.17331 0.322082
+1995 2 0.0422055 0.00144444 0.0398989
+22 1 0.166866 0.0584791 0.0457392
+23 2 0.137728 0.0683009 0.0353097
+24 2 0.172079 0.0757199 0.0627151
+25 1 0.17828 0.102828 0.0983673
+26 2 0.160505 0.0830939 0.10818
+27 2 0.183729 0.119788 0.116509
+28 1 0.0658926 0.126738 0.1358
+29 2 0.0649958 0.103743 0.146794
+30 2 0.0733588 0.146828 0.150792
+31 1 0.239988 0.0378768 0.289534
+32 2 0.215096 0.0224154 0.28064
+33 2 0.265869 0.0385957 0.274408
+34 1 0.341852 0.0340777 0.0758723
+35 2 0.3377 0.0612115 0.0750458
+36 2 0.311344 0.0261175 0.0653266
+43 1 0.0696004 0.0309443 0.13942
+44 2 0.0538759 0.0144584 0.154434
+45 2 0.0521906 0.0288543 0.120198
+50 2 0.102176 0.139726 0.324547
+2418 2 0.493458 0.421144 0.182069
+58 1 0.318053 0.125089 0.26355
+59 2 0.307006 0.146791 0.251362
+60 2 0.341445 0.112794 0.250665
+61 1 0.306 0.104498 0.193961
+62 2 0.276588 0.103541 0.206945
+63 2 0.299864 0.0879556 0.176198
+64 1 0.046638 0.00777419 0.203592
+91 1 0.105541 0.0549691 0.317018
+93 2 0.104614 0.0383674 0.298884
+149 2 0.0379781 0.193773 0.0167856
+157 1 0.0097501 0.198787 0.0508918
+158 2 0.00906346 0.178213 0.0651774
+159 2 0.00816738 0.220064 0.0646933
+166 1 0.0963564 0.0895824 0.0223503
+167 2 0.0686292 0.0788557 0.03304
+1572 2 0.250257 0.500898 0.318722
+51 2 0.0937123 0.0996477 0.335654
+172 1 0.0871701 0.303524 0.127796
+173 2 0.0978031 0.32843 0.121968
+174 2 0.0539567 0.301444 0.122609
+175 1 0.114651 0.253981 0.243626
+176 2 0.146603 0.253198 0.253572
+177 2 0.0974023 0.272954 0.253353
+178 1 0.199383 0.318117 0.163874
+179 2 0.174352 0.301776 0.171656
+180 2 0.198147 0.31603 0.14141
+181 1 0.123176 0.374465 0.120405
+182 2 0.137255 0.365741 0.1013
+183 2 0.146994 0.390842 0.130095
+185 2 0.153771 0.282168 0.00414564
+190 1 0.14823 0.266521 0.18721
+191 2 0.138002 0.265165 0.209163
+192 2 0.177539 0.25289 0.184962
+193 1 0.0463122 0.280492 0.187031
+194 2 0.0804449 0.282213 0.182086
+195 2 0.0315433 0.302743 0.178893
+198 2 0.0122738 0.266016 0.218131
+199 1 0.161062 0.225098 0.315421
+200 2 0.169507 0.244505 0.301347
+202 1 0.261162 0.318851 0.262663
+203 2 0.250981 0.329051 0.242345
+204 2 0.276684 0.339083 0.273813
+205 1 0.204049 0.257989 0.267066
+206 2 0.224425 0.238395 0.273045
+207 2 0.226037 0.276956 0.260685
+208 1 0.17642 0.179514 0.201451
+209 2 0.192639 0.202846 0.195151
+210 2 0.188109 0.174054 0.221329
+214 1 0.086754 0.173511 0.17448
+215 2 0.11874 0.177242 0.183514
+216 2 0.0684888 0.184423 0.190953
+220 1 0.11629 0.170018 0.299161
+221 2 0.13261 0.193659 0.303078
+222 2 0.0817614 0.175618 0.297638
+226 1 0.308093 0.278336 0.301859
+227 2 0.339079 0.273709 0.290859
+228 2 0.29432 0.296781 0.28855
+232 1 0.22802 0.0943728 0.230922
+233 2 0.222952 0.0691096 0.234898
+234 2 0.204947 0.106928 0.245027
+235 1 0.0791754 0.091814 0.218216
+236 2 0.0514634 0.088187 0.204623
+237 2 0.0722288 0.113668 0.230785
+238 1 0.168846 0.120166 0.273314
+239 2 0.155157 0.142431 0.281778
+240 2 0.145783 0.101653 0.280469
+334 1 0.222325 0.175723 0.0248558
+335 2 0.229604 0.193119 0.00806717
+336 2 0.188961 0.169814 0.022089
+337 1 0.047617 0.337814 0.018963
+338 2 0.0226178 0.333965 0.00392705
+339 2 0.0769504 0.340937 0.00660325
+340 1 0.0363834 0.391416 0.130353
+341 2 0.0713748 0.388088 0.129236
+342 2 0.0274629 0.387373 0.109248
+343 1 0.348832 0.480082 0.0867976
+344 2 0.317515 0.485059 0.0782992
+345 2 0.35186 0.453759 0.0909376
+346 1 0.103283 0.477057 0.0117424
+347 2 0.068768 0.480462 0.0153159
+348 2 0.113098 0.461689 0.0292594
+352 1 0.150201 0.335948 0.0721088
+353 2 0.172001 0.322404 0.0860525
+354 2 0.131156 0.31816 0.0604546
+355 1 0.0249972 0.368996 0.0728072
+356 2 0.0319508 0.354602 0.0549947
+358 1 0.27504 0.418437 0.0781601
+359 2 0.27382 0.444222 0.0726822
+360 2 0.248379 0.407515 0.0670153
+361 1 0.0946815 0.468969 0.169662
+362 2 0.062511 0.475887 0.167029
+363 2 0.111367 0.478464 0.150795
+4380 2 0.100152 0.411815 0.064023
+365 2 0.0409369 0.475706 0.229526
+367 1 0.0762842 0.318553 0.267387
+368 2 0.083267 0.344665 0.266074
+369 2 0.0410415 0.319535 0.264743
+370 1 0.170818 0.415295 0.231309
+371 2 0.149322 0.399456 0.219245
+372 2 0.160234 0.439976 0.225661
+373 1 0.12372 0.485747 0.31305
+374 2 0.154585 0.485899 0.324655
+376 1 0.132868 0.377267 0.186855
+377 2 0.158795 0.387599 0.173599
+378 2 0.107356 0.375788 0.172703
+382 1 0.0537389 0.427692 0.218973
+383 2 0.0666833 0.435757 0.198454
+384 2 0.0224953 0.419265 0.214027
+385 1 0.0751742 0.388962 0.27407
+386 2 0.0682015 0.4031 0.255691
+387 2 0.0701669 0.405579 0.29209
+390 2 0.214981 0.370832 0.319998
+394 1 0.157233 0.481388 0.213544
+396 2 0.136403 0.475799 0.19558
+400 1 0.148981 0.307189 0.304609
+401 2 0.120648 0.310035 0.291439
+402 2 0.174845 0.306891 0.289715
+406 1 0.182568 0.392487 0.286753
+407 2 0.172561 0.397987 0.265345
+408 2 0.151703 0.390488 0.297262
+487 1 0.197125 0.391728 0.0469105
+488 2 0.180046 0.371199 0.0557651
+489 2 0.218442 0.376725 0.0331053
+511 1 0.240459 0.474898 0.156653
+512 2 0.271296 0.463626 0.153375
+513 2 0.239518 0.481491 0.177728
+1578 2 0.318432 0.478824 0.33489
+526 1 0.142049 0.488146 0.119263
+527 2 0.152872 0.467414 0.107937
+595 1 0.0543302 0.437131 0.317707
+596 2 0.0261332 0.448353 0.308717
+597 2 0.0801634 0.455489 0.314826
+888 2 0.187015 0.00551695 0.237362
+2417 2 0.491851 0.450182 0.209129
+901 1 0.188239 0.0184056 0.200169
+902 2 0.220119 0.0119672 0.192781
+903 2 0.176081 0.0389517 0.187797
+1012 1 0.00351257 0.156908 0.0997511
+1013 2 0.0280917 0.14374 0.111691
+1015 1 0.362406 0.139533 0.0166653
+1016 2 0.387345 0.121262 0.00897588
+1017 2 0.377005 0.155598 0.0316542
+1021 1 0.432178 0.15595 0.107872
+1022 2 0.413883 0.164727 0.0894727
+1023 2 0.44839 0.177825 0.11628
+1024 1 0.408368 0.0146785 0.0360992
+1025 2 0.382362 0.0219237 0.0507682
+1026 2 0.39437 0.00965387 0.0153266
+1027 1 0.148106 0.00978953 0.00284308
+1028 2 0.113246 0.00667673 0.00662048
+1029 2 0.15902 0.0283502 0.0183432
+1033 1 0.275112 0.168777 0.173103
+1034 2 0.293599 0.145126 0.17387
+1035 2 0.276919 0.177303 0.194984
+1036 1 0.188611 0.145893 0.143481
+1037 2 0.159566 0.144012 0.155718
+1038 2 0.213257 0.150283 0.159216
+1042 1 0.326337 0.012855 0.188949
+1044 2 0.324251 0.0328423 0.173491
+1045 1 0.369987 0.20685 0.204562
+1046 2 0.376661 0.202738 0.182647
+1047 2 0.402687 0.212026 0.211744
+1048 1 0.301433 0.0581703 0.146212
+1049 2 0.326606 0.073684 0.13656
+1050 2 0.278918 0.0520761 0.130042
+1052 2 0.240577 0.000407091 0.0897079
+1062 2 0.210383 0.0385281 0.327727
+1071 2 0.491347 0.162051 0.332594
+1072 1 0.456405 0.107778 0.271191
+1073 2 0.475007 0.085106 0.27318
+1074 2 0.436448 0.102426 0.252707
+1177 1 0.41141 0.248626 0.0377721
+1178 2 0.447143 0.248092 0.0413737
+1179 2 0.406482 0.239612 0.0169235
+1180 1 0.164023 0.193648 0.0959867
+1181 2 0.157174 0.179533 0.0771175
+1182 2 0.16494 0.176222 0.113306
+1183 1 0.334552 0.337924 0.0414901
+1184 2 0.327003 0.320013 0.0574645
+1185 2 0.369823 0.342128 0.0432324
+1186 1 0.264378 0.255117 0.0214368
+1187 2 0.248996 0.245397 0.0406188
+1188 2 0.25055 0.242999 0.00380651
+1189 1 0.301956 0.310315 0.126853
+1190 2 0.320555 0.297107 0.111017
+1191 2 0.313131 0.303037 0.147696
+1195 1 0.138397 0.145478 0.0559856
+1196 2 0.149428 0.129358 0.0729389
+1197 2 0.126669 0.128984 0.0398295
+1198 1 0.380637 0.184263 0.0634057
+1199 2 0.392059 0.208845 0.0567785
+1200 2 0.345754 0.186128 0.0650255
+1201 1 0.239832 0.354799 0.207968
+1202 2 0.214349 0.372078 0.213036
+1203 2 0.223973 0.339236 0.192431
+1204 1 0.25609 0.430197 0.281418
+1205 2 0.225509 0.416017 0.282273
+1206 2 0.281785 0.411559 0.280548
+1207 1 0.388407 0.266575 0.279462
+1208 2 0.402716 0.242646 0.27612
+1209 2 0.413239 0.28312 0.270667
+1210 1 0.44357 0.315811 0.254872
+1211 2 0.443537 0.309293 0.232658
+1212 2 0.434668 0.341447 0.25741
+1213 1 0.3116 0.37299 0.288386
+1214 2 0.342231 0.381767 0.279516
+1215 2 0.318032 0.373038 0.311123
+1216 1 0.236439 0.235682 0.083902
+1217 2 0.208765 0.220081 0.0895639
+1218 2 0.264905 0.22376 0.093225
+1219 1 0.139174 0.0666941 0.166501
+1220 2 0.113688 0.0543721 0.154497
+1221 2 0.124995 0.0760805 0.185702
+1222 1 0.372762 0.222444 0.138737
+1223 2 0.352322 0.211194 0.122649
+1224 2 0.393503 0.241658 0.129627
+1240 1 0.291843 0.187197 0.230707
+1241 2 0.287916 0.198273 0.251257
+1242 2 0.322948 0.196021 0.221107
+1243 1 0.237172 0.234558 0.179799
+1244 2 0.255158 0.213913 0.171015
+1245 2 0.258937 0.254721 0.180433
+1267 1 0.24952 0.131381 0.306282
+1268 2 0.22287 0.123505 0.292642
+1269 2 0.276496 0.127474 0.292413
+1544 2 0.495655 0.502011 0.257927
+1328 2 0.311823 0.275867 7.94275e-05
+1329 2 0.342527 0.307782 0.0125574
+92 2 0.0772434 0.0467408 0.328842
+1351 1 0.31999 0.442777 0.150282
+1352 2 0.353287 0.443464 0.157208
+1353 2 0.312471 0.417956 0.144654
+1354 1 0.386542 0.496991 0.0348315
+1355 2 0.370593 0.478301 0.0217645
+1356 2 0.37338 0.491587 0.0554561
+1357 1 0.400106 0.459127 0.178335
+1358 2 0.428561 0.448387 0.188302
+1359 2 0.378956 0.466719 0.195573
+1360 1 0.469828 0.312564 0.000930805
+4546 1 0.00884086 0.478001 0.0205498
+1368 2 0.209125 0.419342 0.0186536
+1369 1 0.403955 0.365044 0.179209
+1370 2 0.428816 0.380283 0.188363
+1371 2 0.373437 0.371629 0.190375
+1372 1 0.250166 0.466763 0.22893
+1373 2 0.255366 0.455629 0.249317
+1374 2 0.215591 0.464216 0.225111
+1375 1 0.325784 0.383546 0.213909
+1376 2 0.315772 0.409103 0.212666
+1377 2 0.295603 0.369313 0.215025
+1378 1 0.333161 0.265823 0.181961
+1379 2 0.339844 0.252113 0.162934
+1380 2 0.346521 0.248149 0.196452
+4923 2 0.0529145 0.0604254 0.249637
+1387 1 0.209358 0.29893 0.106068
+1388 2 0.244119 0.303313 0.109788
+1389 2 0.211045 0.273682 0.0983167
+1390 1 0.191927 0.414745 0.145902
+1391 2 0.201765 0.439398 0.150797
+1392 2 0.221765 0.402408 0.139883
+1495 1 0.405189 0.415179 0.0315199
+1496 2 0.416218 0.389784 0.0318249
+1497 2 0.430389 0.427605 0.0199173
+1510 1 0.248579 0.343422 0.0193724
+1511 2 0.281698 0.342921 0.0269588
+1512 2 0.239759 0.318143 0.0159998
+1528 1 0.261989 0.49007 0.0658799
+4395 2 0.0100221 0.356748 0.151235
+1530 2 0.26236 0.504488 0.0463538
+1552 1 0.339888 0.467603 0.221055
+1553 2 0.306021 0.470395 0.21578
+1554 2 0.342923 0.481273 0.240721
+1555 1 0.278065 0.376056 0.148957
+1556 2 0.273328 0.366126 0.169299
+1557 2 0.287026 0.353749 0.137804
+1576 1 0.315874 0.453633 0.328011
+1577 2 0.292171 0.450468 0.311422
+1876 1 0.311261 0.0351226 0.249362
+1877 2 0.322519 0.0566991 0.237408
+1878 2 0.310049 0.0152576 0.234775
+1879 1 0.440805 0.041703 0.325157
+1880 2 0.459376 0.061034 0.315136
+1881 2 0.423188 0.0283689 0.308545
+1882 1 0.430292 0.035782 0.223077
+1883 2 0.460087 0.0479464 0.21686
+1884 2 0.435145 0.00937444 0.222399
+1885 1 0.38214 0.0945501 0.228258
+1886 2 0.359707 0.0988329 0.211192
+1887 2 0.397221 0.0706958 0.222934
+1897 1 0.383265 0.125672 0.305604
+1898 2 0.356125 0.124491 0.291483
+1899 2 0.411253 0.119866 0.292402
+1915 1 0.382069 0.00101181 0.290171
+1916 2 0.369461 0.017499 0.275316
+4379 2 0.151089 0.421525 0.0529843
+2022 2 0.401457 0.0621367 0.0100196
+2044 1 0.363226 0.104434 0.118266
+2045 2 0.355075 0.104453 0.0962375
+2046 2 0.383317 0.126007 0.121203
+2056 1 0.476155 0.0457755 0.0769326
+2057 2 0.461061 0.0425547 0.056569
+4265 2 0.00461571 0.201969 0.297187
+2062 1 0.489157 0.102845 0.112119
+2063 2 0.466091 0.12227 0.107141
+2064 2 0.480307 0.0847698 0.0963456
+2072 2 0.489443 0.137516 0.282147
+4922 2 0.009546 0.0764188 0.267713
+4402 1 0.0017572 0.491057 0.159241
+2186 2 0.495452 0.289483 0.0300177
+2188 1 0.422032 0.346411 0.0486489
+2189 2 0.441425 0.334068 0.0328449
+2190 2 0.437926 0.347829 0.0690595
+2191 1 0.500408 0.200877 0.145059
+4378 1 0.119964 0.431988 0.057812
+2197 1 0.417395 0.283176 0.12278
+2198 2 0.453226 0.280891 0.120621
+2199 2 0.411197 0.310494 0.124661
+2209 1 0.353876 0.281523 0.0788506
+2210 2 0.379147 0.285999 0.095519
+2211 2 0.372915 0.271053 0.0626644
+4548 2 0.00975954 0.481898 0.042459
+2213 2 0.421603 0.277774 0.315858
+2218 1 0.461833 0.225843 0.20069
+2219 2 0.488771 0.222001 0.214296
+2220 2 0.472783 0.219958 0.180062
+4549 1 0.0677895 0.484764 0.0833941
+2225 2 0.498415 0.11288 0.147241
+2226 2 0.48586 0.146697 0.166677
+2227 1 0.296 0.189636 0.114238
+2228 2 0.282827 0.171529 0.0993101
+2229 2 0.285801 0.180088 0.134833
+2230 1 0.414809 0.194963 0.284645
+2231 2 0.440264 0.177131 0.289534
+2232 2 0.387726 0.182778 0.293531
+2233 1 0.464799 0.407338 0.3084
+2234 2 0.433385 0.411744 0.299009
+2235 2 0.458219 0.413151 0.330738
+2251 1 0.274968 0.211279 0.283816
+2252 2 0.290507 0.234949 0.287433
+2253 2 0.281773 0.194609 0.301476
+2353 1 0.476578 0.447393 0.0992745
+2354 2 0.445467 0.435341 0.102203
+2355 2 0.470989 0.472802 0.0971882
+2368 1 0.479609 0.473623 0.0142809
+2370 2 0.447393 0.483617 0.018952
+2371 1 0.371246 0.412944 0.0889593
+2372 2 0.38312 0.413809 0.0670639
+2373 2 0.337163 0.406198 0.0891062
+2374 1 0.406418 0.35132 0.121536
+2375 2 0.410545 0.357074 0.144039
+2376 2 0.391915 0.373995 0.112268
+2393 2 0.483179 0.314415 0.182253
+2395 1 0.439814 0.294895 0.199803
+2396 2 0.442432 0.268528 0.198815
+2397 2 0.410897 0.301879 0.189159
+2416 1 0.47364 0.429927 0.200421
+4921 1 0.0269597 0.0547387 0.26459
+2419 1 0.400289 0.390497 0.254149
+2420 2 0.418336 0.41131 0.245828
+2421 2 0.373978 0.384616 0.239308
+2564 2 0.39344 0.489501 0.150664
+3047 2 0.472131 0.0980153 0.00712664
+4551 2 0.0872499 0.491851 0.100971
+3425 2 0.494829 0.327605 0.277415
+4045 1 0.0914733 0.24311 0.0945716
+4046 2 0.116391 0.225207 0.0960567
+4047 2 0.0995124 0.264135 0.107438
+4074 2 0.000380053 0.0097904 0.261849
+4078 1 0.00614692 0.0657122 0.190256
+4550 2 0.0862891 0.465055 0.0725871
+4080 2 0.0265019 0.0451774 0.196693
+4096 1 0.0407783 0.138158 0.257152
+4097 2 0.0487408 0.159636 0.245401
+4098 2 0.0340521 0.150337 0.277223
+4231 1 0.0548302 0.198929 0.225247
+4232 2 0.0817562 0.215566 0.229562
+4233 2 0.0260004 0.214884 0.228117
+4234 1 0.0156998 0.226641 0.153354
+4235 2 0.0425641 0.209291 0.151927
+4236 2 0.0306567 0.2483 0.162304
+4264 1 0.0246076 0.179479 0.30072
+3426 2 0.494312 0.359547 0.300112
+20 2 0.00710011 0.0442978 0.0632763
+201 2 0.149514 0.23735 0.334067
+1367 2 0.22314 0.45377 0.000239983
+37 1 0.20457 0.168158 0.350357
+38 2 0.223947 0.156365 0.334753
+39 2 0.182719 0.182847 0.337933
+49 1 0.0926663 0.124874 0.342805
+55 1 0.255188 0.115472 0.398215
+56 2 0.230467 0.0990047 0.393394
+57 2 0.285573 0.101063 0.399253
+70 1 0.11237 0.0559401 0.393736
+71 2 0.141487 0.0420201 0.390986
+72 2 0.106025 0.0568518 0.416464
+73 1 0.0237691 0.132569 0.502442
+74 2 0.00966954 0.110834 0.51208
+75 2 0.0439812 0.124579 0.48541
+76 1 0.204384 0.15834 0.44807
+77 2 0.181886 0.178669 0.446755
+78 2 0.1964 0.142533 0.430871
+79 1 0.241553 0.0780839 0.527248
+80 2 0.254359 0.0933239 0.509876
+81 2 0.23451 0.0536893 0.52023
+82 1 0.0912713 0.0537462 0.513895
+83 2 0.110971 0.0323423 0.517616
+84 2 0.0606081 0.0463682 0.520937
+85 1 0.0749846 0.124476 0.441474
+86 2 0.0639159 0.149607 0.443272
+87 2 0.0967966 0.127711 0.423777
+2427 2 0.471248 0.497222 0.474166
+98 2 0.111381 0.122877 0.652855
+103 1 0.0477889 0.0249052 0.584464
+104 2 0.0754513 0.0367142 0.593435
+105 2 0.0213049 0.0235043 0.59915
+106 1 0.191682 0.131104 0.547137
+107 2 0.21323 0.111747 0.540615
+108 2 0.15856 0.121693 0.550472
+1098 2 0.17748 0.00665412 0.517222
+4626 2 0.0128964 0.420937 0.472059
+141 2 0.00131526 0.0780849 0.575826
+1382 2 0.4888 0.496383 0.346272
+223 1 0.00724972 0.155666 0.357383
+225 2 0.034471 0.139112 0.354938
+229 1 0.0640274 0.253966 0.418342
+230 2 0.0598846 0.271224 0.401016
+231 2 0.0687767 0.270447 0.43629
+242 2 0.00387634 0.251064 0.423003
+247 1 0.0123814 0.271508 0.528771
+248 2 0.0389615 0.277494 0.542311
+4473 2 0.0571211 0.328621 0.56653
+250 1 0.0895621 0.288408 0.562589
+251 2 0.107931 0.268372 0.571233
+252 2 0.114295 0.303807 0.55344
+253 1 0.150107 0.328848 0.533283
+254 2 0.167867 0.348677 0.542892
+255 2 0.152057 0.332531 0.510658
+256 1 0.138886 0.150533 0.392908
+257 2 0.165568 0.159847 0.380483
+258 2 0.116999 0.140628 0.376647
+262 1 0.0358493 0.191685 0.443459
+263 2 0.0416593 0.198824 0.465797
+264 2 0.0520086 0.211643 0.432659
+268 1 0.00763191 0.353317 0.62891
+270 2 0.02039 0.339382 0.646726
+271 1 0.0815832 0.162684 0.649016
+272 2 0.0946957 0.183196 0.637921
+273 2 0.0493277 0.159601 0.639922
+274 1 0.112362 0.217822 0.614948
+275 2 0.0979109 0.205427 0.597089
+276 2 0.142794 0.225695 0.606425
+283 1 0.0384503 0.214399 0.500405
+284 2 0.0215821 0.235879 0.508882
+285 2 0.0205002 0.193655 0.507779
+388 1 0.220755 0.359627 0.340201
+389 2 0.189035 0.355199 0.349436
+391 1 0.208633 0.419051 0.481377
+392 2 0.218112 0.394045 0.477358
+393 2 0.216325 0.429444 0.461087
+397 1 0.20798 0.47205 0.342584
+398 2 0.212658 0.447043 0.34999
+399 2 0.229912 0.486218 0.35614
+409 1 0.0776538 0.397468 0.486397
+410 2 0.107352 0.387267 0.477402
+411 2 0.0527043 0.378088 0.487042
+413 2 0.0498792 0.496956 0.502028
+415 1 0.266751 0.334419 0.532014
+416 2 0.294276 0.318754 0.535505
+417 2 0.248595 0.321884 0.515342
+418 1 0.180252 0.400068 0.540547
+419 2 0.187029 0.403225 0.519285
+420 2 0.145742 0.403333 0.542417
+421 1 0.14201 0.429791 0.421763
+422 2 0.128407 0.405759 0.417662
+423 2 0.124946 0.439959 0.43855
+424 1 0.0564025 0.300228 0.466033
+425 2 0.0525598 0.284388 0.484709
+426 2 0.0334165 0.319891 0.469703
+430 1 0.132823 0.339766 0.47152
+431 2 0.10445 0.326247 0.464644
+432 2 0.158426 0.332461 0.457205
+433 1 0.196398 0.45151 0.65973
+434 2 0.214203 0.453532 0.63888
+1446 2 0.363248 0.495873 0.654207
+442 1 0.124762 0.375814 0.647937
+443 2 0.121001 0.402242 0.64518
+444 2 0.0907412 0.368593 0.65125
+448 1 0.196744 0.294617 0.620915
+449 2 0.19737 0.284957 0.642089
+450 2 0.198667 0.274287 0.606003
+457 1 0.106631 0.447244 0.651709
+459 2 0.142175 0.450903 0.654159
+557 2 0.0532006 0.488338 0.451621
+583 1 0.172254 0.478414 0.499499
+584 2 0.183686 0.454031 0.493593
+598 1 0.0830196 0.465688 0.477211
+599 2 0.113974 0.474782 0.48594
+600 2 0.0811434 0.438723 0.481201
+949 1 0.11577 0.0643746 0.610508
+950 2 0.117646 0.0727968 0.631749
+951 2 0.147706 0.0704171 0.603001
+1057 1 0.307308 0.181726 0.340305
+1058 2 0.300624 0.157933 0.332134
+1059 2 0.297819 0.181029 0.362276
+1060 1 0.185386 0.0263855 0.339945
+2115 2 0.424351 0.00531258 0.638651
+1063 1 0.443975 0.0381786 0.40578
+1064 2 0.456063 0.0608293 0.396816
+1065 2 0.434952 0.0421748 0.426784
+1066 1 0.491999 0.0974366 0.383385
+1067 2 0.471237 0.11759 0.374967
+1069 1 0.478056 0.160449 0.353484
+1070 2 0.483736 0.184857 0.360856
+1078 1 0.391353 0.128017 0.36574
+1079 2 0.418707 0.144638 0.367732
+1080 2 0.385648 0.128205 0.343429
+1081 1 0.339968 0.0851947 0.40299
+1082 2 0.346781 0.0612852 0.395579
+1083 2 0.355679 0.100409 0.387027
+1084 1 0.266703 0.124297 0.485946
+1085 2 0.238132 0.135079 0.476465
+1086 2 0.288814 0.121623 0.469135
+1090 1 0.335966 0.0511055 0.481741
+1091 2 0.310129 0.0469855 0.467078
+1092 2 0.348185 0.0753742 0.477584
+1093 1 0.372864 0.0543572 0.53507
+1094 2 0.347606 0.0673668 0.545884
+1095 2 0.357749 0.0469519 0.51508
+2093 2 0.484806 0.152785 0.528612
+1102 1 0.0873596 0.0594578 0.453475
+1103 2 0.0948254 0.0597262 0.475715
+1104 2 0.0830079 0.0853982 0.448393
+1105 1 0.169585 0.196596 0.536686
+1106 2 0.182993 0.171418 0.53878
+1107 2 0.136105 0.191787 0.541585
+1108 1 0.201724 0.0932517 0.598528
+1109 2 0.197906 0.109522 0.581268
+1110 2 0.21846 0.108415 0.614039
+1111 1 0.321585 0.018731 0.649015
+1112 2 0.354814 0.0265263 0.645896
+1113 2 0.304038 0.0419362 0.65266
+1114 1 0.370334 0.110846 0.599827
+1115 2 0.366064 0.10995 0.622389
+1116 2 0.343051 0.0960037 0.591298
+1120 1 0.27386 0.0138056 0.593777
+1121 2 0.287223 0.0148956 0.614934
+1123 1 0.23352 0.00398505 0.536669
+1125 2 0.25905 0.016654 0.546902
+1126 1 0.303702 0.0749011 0.572613
+1127 2 0.273863 0.079064 0.561458
+1128 2 0.294916 0.0516984 0.5836
+1129 1 0.279779 0.0815972 0.654766
+1130 2 0.30942 0.0920432 0.663903
+1131 2 0.267637 0.102968 0.64378
+1141 1 0.31282 0.176466 0.664177
+1142 2 0.325504 0.193096 0.648109
+1143 2 0.284479 0.164073 0.655028
+1225 1 0.294778 0.42288 0.382041
+1226 2 0.308656 0.432529 0.362988
+1227 2 0.322806 0.413782 0.394099
+1228 1 0.138737 0.251219 0.367467
+1229 2 0.123994 0.274226 0.372278
+1230 2 0.169799 0.25082 0.378389
+1231 1 0.266193 0.185166 0.39589
+1232 2 0.263369 0.158239 0.397856
+1233 2 0.24039 0.190273 0.381312
+1234 1 0.429781 0.343389 0.36332
+1235 2 0.428084 0.317477 0.356963
+1236 2 0.457966 0.353792 0.352308
+1237 1 0.268709 0.301558 0.35713
+1238 2 0.249342 0.323685 0.353236
+1239 2 0.283748 0.293963 0.33753
+1246 1 0.34516 0.366224 0.34254
+1247 2 0.375646 0.359318 0.352865
+1248 2 0.321028 0.368706 0.358799
+1249 1 0.218751 0.264286 0.395231
+1250 2 0.242218 0.247357 0.403506
+1251 2 0.238196 0.278067 0.380395
+1252 1 0.234672 0.293465 0.484826
+1253 2 0.203374 0.280646 0.485443
+1254 2 0.257181 0.275776 0.475725
+1255 1 0.326824 0.16129 0.523539
+1256 2 0.306662 0.144515 0.511409
+1257 2 0.307233 0.183865 0.52296
+1258 1 0.331401 0.179107 0.438555
+1259 2 0.325783 0.200634 0.449671
+1260 2 0.303769 0.177602 0.424036
+1261 1 0.202675 0.242787 0.581318
+1262 2 0.191484 0.224979 0.565745
+1263 2 0.237029 0.246793 0.57781
+1264 1 0.135319 0.204284 0.432133
+1265 2 0.136802 0.186863 0.414823
+1266 2 0.117203 0.225846 0.425438
+1270 1 0.16701 0.243086 0.482419
+1271 2 0.143563 0.234684 0.467185
+1272 2 0.158911 0.230087 0.501886
+1273 1 0.291876 0.250426 0.563233
+1274 2 0.319531 0.263017 0.554923
+1275 2 0.278282 0.24224 0.543269
+1282 1 0.246858 0.147997 0.63184
+1283 2 0.252488 0.163971 0.614492
+1284 2 0.227125 0.162827 0.646253
+1285 1 0.395715 0.313681 0.634803
+1286 2 0.366127 0.312692 0.6231
+1287 2 0.397144 0.338397 0.643418
+1288 1 0.19127 0.194021 0.665265
+1291 1 0.08823 0.179181 0.565536
+1292 2 0.097274 0.155355 0.557156
+1293 2 0.0531825 0.182975 0.563326
+1294 1 0.0886953 0.258185 0.665289
+1296 2 0.0902455 0.245829 0.645247
+1312 1 0.327089 0.226704 0.624154
+1313 2 0.317867 0.251106 0.632253
+1314 2 0.325106 0.227126 0.601497
+2092 1 0.49232 0.127778 0.523161
+1393 1 0.4454 0.428805 0.364404
+1394 2 0.433818 0.452515 0.372246
+1395 2 0.421202 0.411853 0.370849
+1399 1 0.495826 0.361201 0.451316
+427 1 -0.000391337 0.357523 0.487644
+1404 2 0.38379 0.503157 0.409592
+1408 1 0.231647 0.438061 0.423691
+1409 2 0.198969 0.43478 0.415703
+1410 2 0.25226 0.43068 0.406586
+1411 1 0.142864 0.329476 0.36018
+1412 2 0.109373 0.329734 0.366431
+1413 2 0.143476 0.319402 0.339098
+1414 1 0.364727 0.401505 0.416445
+1415 2 0.357755 0.402961 0.438443
+1416 2 0.380353 0.377648 0.413156
+1417 1 0.423057 0.479275 0.482046
+1418 2 0.404484 0.46885 0.499901
+1419 2 0.401057 0.474635 0.464885
+1420 1 0.291144 0.484467 0.510156
+1421 2 0.310109 0.461693 0.508428
+1422 2 0.279287 0.486692 0.489173
+1423 1 0.271736 0.397163 0.557128
+1424 2 0.272566 0.375215 0.544954
+1425 2 0.241603 0.408665 0.550817
+1426 1 0.447128 0.378871 0.500692
+1427 2 0.46271 0.401593 0.506935
+1428 2 0.462016 0.371198 0.480963
+1429 1 0.363639 0.437391 0.511444
+1430 2 0.350599 0.416606 0.501351
+1431 2 0.381223 0.428005 0.529653
+1432 1 0.239363 0.359873 0.461136
+1433 2 0.229149 0.351903 0.440808
+1434 2 0.240723 0.336239 0.471754
+1435 1 0.190062 0.324036 0.417094
+1436 2 0.170361 0.328979 0.398988
+1437 2 0.206547 0.301541 0.410653
+1438 1 0.339273 0.382575 0.476077
+1439 2 0.304039 0.380994 0.474935
+1440 2 0.35101 0.35743 0.476967
+1441 1 0.243067 0.358008 0.616
+1442 2 0.239669 0.372624 0.597193
+1443 2 0.224221 0.335452 0.613943
+1450 1 0.39967 0.38233 0.652032
+1451 2 0.43273 0.381778 0.660882
+2934 2 0.494435 0.0108908 0.385648
+1456 1 0.340051 0.34395 0.585884
+1457 2 0.342628 0.332625 0.566324
+1458 2 0.30536 0.347557 0.589715
+1459 1 0.29936 0.289041 0.641115
+1460 2 0.286732 0.31199 0.633127
+1461 2 0.293585 0.289416 0.663206
+97 1 0.124124 0.101878 0.664018
+1482 2 0.25599 0.378244 0.652445
+2116 1 0.370224 0.107739 0.664625
+1600 1 0.318798 0.420712 0.60254
+1601 2 0.338098 0.399697 0.606257
+1602 2 0.301606 0.413459 0.582754
+1603 1 0.275631 0.494805 0.450719
+1604 2 0.260501 0.472926 0.441564
+1605 2 0.307495 0.496694 0.44054
+1624 1 0.247474 0.467468 0.609916
+1625 2 0.274448 0.449342 0.607277
+1626 2 0.262064 0.491942 0.609779
+1627 1 0.154396 0.497353 0.588166
+1628 2 0.122523 0.486563 0.585791
+1629 2 0.177137 0.476908 0.589347
+1900 1 0.252442 0.0208507 0.462369
+1901 2 0.239154 0.00785617 0.444295
+1902 2 0.250976 0.00507148 0.479846
+1909 1 0.442713 0.00781836 0.47813
+1910 2 0.468673 0.0143263 0.492496
+1911 2 0.415904 0.0224066 0.484939
+1918 1 0.360005 0.033189 0.361212
+1919 2 0.341303 0.0429143 0.343363
+1920 2 0.392709 0.0348418 0.354665
+1926 2 0.0775098 0.0129796 0.450268
+2065 1 0.347571 0.241775 0.351878
+2066 2 0.326425 0.257035 0.339385
+2067 2 0.338746 0.215611 0.347476
+2068 1 0.36016 0.116392 0.456374
+2069 2 0.360002 0.104673 0.435888
+2070 2 0.349501 0.140658 0.450726
+2089 1 0.490292 0.156315 0.436389
+2090 2 0.48347 0.131585 0.443323
+2091 2 0.464171 0.171058 0.444655
+2094 2 0.475279 0.113315 0.538757
+2113 1 0.439275 0.0189265 0.621964
+2114 2 0.423751 0.0117865 0.602432
+4472 2 0.0312632 0.351016 0.591949
+2120 2 0.387655 0.02032 0.561585
+2214 2 0.392601 0.265804 0.345524
+2236 1 0.319055 0.272166 0.406989
+2237 2 0.336695 0.260039 0.390789
+2238 2 0.303472 0.29296 0.397407
+2242 1 0.488548 0.253678 0.447309
+2244 2 0.46198 0.238011 0.440508
+2254 1 0.420601 0.205856 0.448027
+2255 2 0.412491 0.206441 0.470246
+2256 2 0.389411 0.199527 0.438203
+2257 1 0.391257 0.21194 0.508006
+2258 2 0.4228 0.213156 0.518611
+2259 2 0.377284 0.188452 0.513067
+2260 1 0.255148 0.209556 0.507331
+2261 2 0.25835 0.227368 0.490902
+2262 2 0.220983 0.205226 0.5112
+2264 2 0.485866 0.0396429 0.601559
+2265 2 0.480429 0.0718831 0.579613
+2272 1 0.391051 0.170258 0.571228
+2273 2 0.385634 0.151146 0.587409
+2274 2 0.364176 0.16469 0.556847
+2275 1 0.459909 0.102447 0.472416
+2276 2 0.470389 0.111992 0.492569
+2277 2 0.426094 0.10837 0.470911
+2278 1 0.308011 0.254113 0.465812
+2279 2 0.335013 0.253588 0.480029
+2280 2 0.320009 0.260134 0.444647
+2281 1 0.434153 0.280468 0.565082
+2282 2 0.447392 0.278059 0.585527
+2283 2 0.457326 0.297326 0.555922
+2290 1 0.481737 0.340072 0.546141
+2291 2 0.462893 0.350681 0.56276
+2292 2 0.467237 0.351836 0.527751
+2212 1 0.420266 0.280863 0.338641
+2299 1 0.439072 0.0919769 0.561291
+2300 2 0.415986 0.106046 0.573426
+2301 2 0.418254 0.0763944 0.548458
+2302 1 0.427125 0.197325 0.636552
+2303 2 0.398622 0.212637 0.632389
+2304 2 0.44754 0.19781 0.61788
+2405 2 0.500529 0.414721 0.390149
+2422 1 0.413077 0.340104 0.422785
+2423 2 0.423463 0.334968 0.4015
+2424 2 0.44155 0.34476 0.435889
+2440 1 0.455053 0.290722 0.49562
+2441 2 0.46656 0.27623 0.477595
+2442 2 0.470137 0.280485 0.513681
+2443 1 0.376914 0.317145 0.476144
+2444 2 0.407111 0.30869 0.485391
+2445 2 0.386155 0.3242 0.454594
+2446 1 0.350886 0.293426 0.532753
+2447 2 0.381956 0.285292 0.541681
+2448 2 0.359756 0.300895 0.511279
+2449 1 0.424513 0.434659 0.562585
+2450 2 0.420681 0.450417 0.580736
+2451 2 0.428934 0.410832 0.571528
+2452 1 0.429299 0.478895 0.611526
+2453 2 0.451174 0.46621 0.625927
+2454 2 0.41305 0.496248 0.624617
+2458 1 0.494665 0.439851 0.518952
+2459 2 0.480602 0.457415 0.504719
+2460 2 0.474249 0.440963 0.537295
+2461 1 0.48402 0.447563 0.660278
+2464 1 0.428419 0.371381 0.590615
+2465 2 0.403427 0.35499 0.598312
+2466 2 0.44685 0.380776 0.608527
+4471 1 0.0382587 0.350805 0.569435
+2635 1 0.334937 0.460197 0.654441
+2636 2 0.328555 0.446227 0.635699
+2324 2 0.397442 0.281546 0.664047
+3100 1 0.461632 0.194383 0.538862
+3101 2 0.437112 0.182875 0.552888
+3102 2 0.48388 0.205266 0.553749
+3165 2 0.478262 0.093108 0.658752
+3259 1 0.498255 0.23246 0.351338
+3261 2 0.473626 0.251154 0.351277
+3473 2 0.500142 0.332811 0.65974
+4085 2 0.00741015 0.0550643 0.453434
+4120 1 0.032099 0.0591643 0.364337
+4121 2 0.0616776 0.0562104 0.377346
+4122 2 0.0126175 0.0765097 0.377518
+4138 1 0.110468 0.103939 0.556131
+4139 2 0.100707 0.0930185 0.575621
+4140 2 0.102528 0.0850989 0.540934
+612 2 0.187417 0.497225 0.657349
+4423 1 0.0586316 0.299342 0.371972
+4424 2 0.0413933 0.281669 0.359005
+4425 2 0.0468924 0.323595 0.364569
+4426 1 0.0321875 0.3637 0.356716
+4427 2 0.00269892 0.356771 0.346464
+4428 2 0.0395543 0.38759 0.348092
+4429 1 0.0567817 0.39094 0.412562
+4430 2 0.0492732 0.373635 0.396156
+4431 2 0.0473748 0.414994 0.404852
+4444 1 0.0407222 0.451729 0.377606
+4445 2 0.05348 0.473624 0.386799
+4446 2 0.0439015 0.455441 0.355273
+4447 1 0.0640137 0.463517 0.568966
+4448 2 0.0757115 0.441153 0.557967
+4449 2 0.0504886 0.478969 0.551863
+4450 1 0.08895 0.403047 0.54227
+4451 2 0.0840219 0.402653 0.519422
+4452 2 0.0717574 0.381451 0.550389
+4465 1 0.0248708 0.468131 0.623782
+4466 2 0.047067 0.454127 0.636877
+4467 2 0.0401637 0.467195 0.602393
+585 2 0.195336 0.485819 0.515952
+2467 1 0.494706 0.20416 0.594577
+1061 2 0.154782 0.0371915 0.333033
+280 1 0.00599309 0.159659 0.616701
+281 2 -0.00266031 0.134891 0.611109
+282 2 0.00334175 0.172401 0.596559
+2933 2 0.489194 0.0191346 0.351046
+2017 1 0.49216 0.18343 0.914075
+99 2 0.143753 0.112715 0.681066
+109 1 0.150271 0.0386504 0.696175
+110 2 0.155219 0.0512505 0.715624
+111 2 0.137216 0.0565318 0.68166
+618 2 0.22299 0.498648 0.726702
+125 2 0.0144277 0.113396 0.777135
+127 1 0.283702 0.0295154 0.866889
+128 2 0.250132 0.0358817 0.872046
+129 2 0.302723 0.0509016 0.870928
+130 1 0.16063 0.0545397 0.829621
+131 2 0.135023 0.051104 0.814581
+132 2 0.187126 0.0411597 0.819965
+136 1 0.253924 0.0316014 0.717147
+137 2 0.22851 0.0131268 0.719447
+138 2 0.243915 0.0462393 0.699869
+145 1 0.121862 0.0638613 0.883885
+146 2 0.13142 0.058296 0.862626
+147 2 0.147876 0.0521814 0.895965
+148 1 0.0530726 0.189698 0.9968
+150 2 0.0326854 0.173165 0.984636
+160 1 0.0531433 0.0441977 0.924061
+161 2 0.026679 0.0332779 0.911565
+162 2 0.0752872 0.0529367 0.907702
+169 1 0.138775 0.167666 0.987827
+171 2 0.105867 0.176178 0.991783
+184 1 0.176287 0.288595 0.988284
+186 2 0.194082 0.266008 0.983814
+187 1 0.144419 0.211176 0.866264
+188 2 0.14234 0.201661 0.887809
+189 2 0.126472 0.234012 0.868148
+265 1 0.0386049 0.2304 0.714129
+266 2 0.00869797 0.218061 0.707095
+267 2 0.0532947 0.240949 0.695663
+289 1 0.133323 0.195789 0.804876
+290 2 0.140936 0.200807 0.826682
+291 2 0.121716 0.217987 0.796125
+292 1 0.101659 0.3254 0.886436
+293 2 0.128992 0.314332 0.897933
+294 2 0.097857 0.350042 0.893751
+295 1 0.214769 0.277918 0.819877
+296 2 0.201658 0.287912 0.839758
+297 2 0.249914 0.279347 0.821477
+298 1 0.306803 0.198977 0.777133
+299 2 0.298052 0.2243 0.772622
+300 2 0.317311 0.188095 0.757998
+301 1 0.0674444 0.270899 0.808526
+302 2 0.0753282 0.261106 0.83004
+303 2 0.0533569 0.249994 0.79823
+304 1 0.196158 0.193722 0.754395
+305 2 0.170409 0.1945 0.770533
+306 2 0.202613 0.220257 0.753375
+313 1 0.174994 0.303282 0.926473
+314 2 0.164163 0.297146 0.9477
+315 2 0.207942 0.294491 0.927717
+319 1 0.259775 0.281779 0.931179
+320 2 0.277594 0.273264 0.913302
+321 2 0.277924 0.304835 0.935248
+322 1 0.392362 0.301097 0.915783
+323 2 0.367013 0.286374 0.904696
+324 2 0.417696 0.30609 0.901094
+325 1 0.130535 0.350951 0.989249
+326 2 0.151544 0.371048 0.993142
+327 2 0.151039 0.329087 0.989448
+328 1 0.0589251 0.0959267 0.967211
+329 2 0.0397597 0.115775 0.958458
+330 2 0.0575451 0.0763524 0.951438
+331 1 0.0539824 0.152001 0.831022
+332 2 0.0728671 0.159562 0.81372
+333 2 0.035297 0.131466 0.822812
+438 2 0.00370662 0.405916 0.680246
+439 1 0.0860733 0.489157 0.697772
+454 1 0.0593313 0.415078 0.709265
+455 2 0.0639867 0.440983 0.705159
+456 2 0.0897365 0.405338 0.71596
+458 2 0.0946387 0.462011 0.668829
+463 1 0.13344 0.403632 0.818854
+464 2 0.122271 0.378679 0.822827
+465 2 0.108687 0.413231 0.804042
+466 1 0.227792 0.390121 0.773532
+467 2 0.192567 0.391669 0.776548
+468 2 0.241077 0.412833 0.76526
+472 1 0.141743 0.294952 0.715631
+473 2 0.118364 0.299512 0.732686
+474 2 0.150319 0.318667 0.707796
+475 1 0.0375768 0.317245 0.676096
+476 2 0.0615611 0.298721 0.670504
+477 2 0.0377563 0.318422 0.699522
+478 1 0.0976404 0.389675 0.921212
+479 2 0.10404 0.40682 0.937903
+480 2 0.0667372 0.380651 0.926624
+481 1 0.0107714 0.420319 0.865546
+482 2 0.0179573 0.42255 0.887577
+483 2 0.0422734 0.424117 0.855951
+484 1 0.0181989 0.452633 0.921597
+490 1 0.00831268 0.364992 0.921314
+170 2 0.137103 0.141673 0.990327
+493 1 0.190849 0.398282 0.905417
+494 2 0.211976 0.394339 0.92238
+495 2 0.158169 0.392123 0.91232
+496 1 0.249199 0.386883 0.952928
+497 2 0.241923 0.4019 0.970915
+498 2 0.26523 0.365409 0.960915
+502 1 0.0121772 0.265535 0.938609
+1289 2 0.196151 0.218991 0.672976
+523 1 0.111597 0.472127 0.905924
+524 2 0.07764 0.471566 0.911985
+525 2 0.126284 0.453464 0.919066
+616 1 0.241993 0.48484 0.711416
+617 2 0.219816 0.47874 0.694795
+1480 1 0.251397 0.390447 0.672525
+645 2 0.0183218 0.410072 0.732788
+664 1 0.133366 0.471044 0.844324
+665 2 0.130415 0.444656 0.839393
+666 2 0.122794 0.473272 0.866101
+973 1 0.388267 0.0929661 0.84905
+974 2 0.365856 0.0927564 0.86674
+975 2 0.370406 0.0990043 0.830031
+988 1 0.0136507 0.00623019 0.96788
+990 2 0.0322824 0.0228103 0.955304
+1009 1 0.345028 0.0089066 0.990136
+4351 1 0.0815171 0.261412 0.866875
+1132 1 0.171032 0.125255 0.710541
+1133 2 0.148486 0.144872 0.716638
+1134 2 0.170703 0.108785 0.728289
+1135 1 0.218961 0.021487 0.787908
+1136 2 0.20476 0.00841805 0.770028
+1137 2 0.250247 0.0118546 0.790542
+1138 1 0.253208 0.141228 0.735094
+1139 2 0.229584 0.127807 0.722806
+1140 2 0.23574 0.164078 0.74041
+1146 2 0.343565 0.00900853 0.747578
+1147 1 0.0667776 0.0259057 0.733589
+485 2 0.00303434 0.430671 0.928781
+1149 2 0.0752258 0.0309589 0.712535
+1150 1 0.246631 0.0827791 0.928352
+1151 2 0.23056 0.105745 0.924141
+1152 2 0.235387 0.0656626 0.91304
+1153 1 0.188957 0.117758 0.845371
+1154 2 0.175623 0.0952236 0.836429
+1155 2 0.203037 0.132014 0.828461
+1156 1 0.227232 0.228563 0.970664
+1157 2 0.205754 0.214955 0.957142
+1158 2 0.246012 0.243313 0.955516
+1165 1 0.419784 0.263225 0.964062
+1166 2 0.420468 0.275319 0.943211
+1167 2 0.392285 0.273903 0.974325
+4344 2 0.00781963 0.022712 0.751813
+1174 1 0.383161 0.0822697 0.942595
+1175 2 0.350891 0.0813513 0.934708
+1176 2 0.396601 0.10388 0.931401
+1192 1 0.35507 0.185418 0.942254
+1193 2 0.329825 0.176889 0.955777
+1194 2 0.382449 0.171406 0.948774
+1276 1 0.20096 0.264707 0.681555
+1277 2 0.178632 0.275188 0.696917
+1278 2 0.233287 0.265349 0.690435
+1279 1 0.304212 0.265033 0.698859
+1280 2 0.336565 0.271071 0.691473
+1281 2 0.31086 0.239436 0.703563
+4357 1 0.0539462 0.11774 0.885152
+1290 2 0.172894 0.181812 0.680827
+1295 2 0.122777 0.260739 0.671387
+1297 1 0.215552 0.263072 0.762438
+1298 2 0.201953 0.285248 0.753916
+1299 2 0.210237 0.268758 0.784701
+1300 1 0.232378 0.333941 0.738549
+1301 2 0.235522 0.353674 0.754552
+1302 2 0.203861 0.341282 0.72687
+1303 1 0.302701 0.27183 0.757496
+1304 2 0.301923 0.276022 0.735539
+1305 2 0.26768 0.269491 0.762059
+1306 1 0.307455 0.345159 0.705882
+1307 2 0.319021 0.367062 0.716724
+1308 2 0.278138 0.33796 0.717312
+1309 1 0.36803 0.383464 0.794056
+1310 2 0.368051 0.403657 0.808458
+1311 2 0.337977 0.372512 0.800427
+1315 1 0.172941 0.0740915 0.751821
+1316 2 0.144102 0.0758388 0.765895
+1317 2 0.19477 0.0607139 0.764977
+1318 1 0.103352 0.176575 0.709009
+1319 2 0.0942356 0.170227 0.687648
+1320 2 0.0809199 0.19628 0.714251
+1321 1 0.393945 0.209698 0.799346
+1322 2 0.410319 0.194532 0.783807
+1323 2 0.359433 0.202831 0.797491
+1324 1 0.197398 0.314137 0.867688
+1325 2 0.196 0.313818 0.890617
+1326 2 0.203997 0.339024 0.861224
+1330 1 0.33435 0.203242 0.714212
+1331 2 0.368835 0.202576 0.710368
+1332 2 0.32155 0.189778 0.695698
+1333 1 0.481907 0.362294 0.956542
+1335 2 0.484404 0.38613 0.967977
+1336 1 0.241988 0.151558 0.801675
+1337 2 0.266032 0.169969 0.795612
+1338 2 0.220617 0.152964 0.78343
+1339 1 0.155359 0.191065 0.927248
+1340 2 0.17619 0.171298 0.919865
+1341 2 0.135073 0.182132 0.94421
+1342 1 0.235513 0.198827 0.872448
+1343 2 0.246642 0.223098 0.874664
+1344 2 0.200673 0.202728 0.870975
+1345 1 0.34901 0.454748 0.992149
+1347 2 0.339419 0.450905 0.970485
+1361 2 0.449373 0.292614 0.993459
+1362 2 0.476507 0.326542 0.981402
+1363 1 0.325866 0.331731 0.94583
+1364 2 0.348758 0.327271 0.928578
+1365 2 0.339828 0.317374 0.962344
+1366 1 0.21823 0.428334 0.998702
+1447 1 0.284226 0.356703 0.812253
+1448 2 0.264293 0.367927 0.795753
+1449 2 0.267684 0.365551 0.831456
+4335 2 0.0179782 0.329263 0.750751
+4334 2 0.033385 0.290164 0.740808
+1462 1 0.173653 0.357635 0.694648
+1463 2 0.151515 0.362249 0.677266
+1464 2 0.203527 0.369433 0.68706
+1465 1 0.319235 0.471556 0.881936
+1466 2 0.347208 0.485268 0.889831
+1467 2 0.334386 0.455082 0.866988
+1468 1 0.0654491 0.438584 0.776696
+1469 2 0.0331792 0.431796 0.768851
+1470 2 0.0655096 0.465366 0.777163
+1471 1 0.225602 0.383345 0.851257
+1472 2 0.203009 0.397612 0.839266
+1473 2 0.214298 0.389784 0.872024
+1474 1 0.464202 0.440535 0.839261
+1475 2 0.496052 0.432007 0.83191
+1476 2 0.468837 0.465151 0.846602
+1477 1 0.367248 0.438763 0.833659
+1478 2 0.401526 0.441186 0.834035
+1479 2 0.351659 0.456037 0.818953
+1481 2 0.27545 0.377622 0.685414
+1483 1 0.160921 0.32138 0.783854
+1484 2 0.1851 0.312577 0.798547
+1485 2 0.13322 0.328544 0.796288
+1486 1 0.219255 0.456678 0.817202
+1487 2 0.220867 0.468229 0.837709
+1488 2 0.185051 0.458558 0.811644
+1489 1 0.305751 0.44125 0.937217
+1490 2 0.281445 0.422141 0.939489
+1491 2 0.306738 0.449334 0.915671
+1498 1 0.409482 0.268609 0.838623
+1499 2 0.405764 0.247063 0.825626
+1500 2 0.384573 0.28614 0.833875
+1503 2 0.486207 0.476477 0.945242
+1504 1 0.455877 0.368091 0.843086
+1505 2 0.453532 0.360885 0.86448
+1506 2 0.454103 0.394986 0.842652
+1507 1 0.310459 0.28406 0.817159
+1508 2 0.311154 0.276107 0.795059
+1509 2 0.305716 0.31063 0.814737
+1531 1 0.135935 0.440157 0.9598
+1532 2 0.167085 0.437182 0.968384
+1533 2 0.115599 0.450801 0.9757
+1648 1 0.392808 0.495614 0.769039
+1649 2 0.400633 0.470612 0.76397
+1650 2 0.358077 0.493676 0.774532
+1651 1 0.277981 0.442048 0.750163
+1652 2 0.286333 0.45694 0.768714
+1653 2 0.266218 0.458921 0.734171
+1654 1 0.306001 0.480395 0.800056
+1656 2 0.276044 0.4686 0.80531
+1676 2 0.262232 0.491088 0.881592
+1972 1 0.340236 0.0510731 0.733023
+1973 2 0.305484 0.045845 0.729201
+1974 2 0.342772 0.0771829 0.737323
+1979 2 0.322175 0.0113312 0.8206
+1981 1 0.19821 0.0237925 0.901132
+1982 2 0.19326 0.0117095 0.921556
+1983 2 0.202194 0.00350955 0.88711
+2018 2 0.477668 0.188559 0.893597
+2020 1 0.415197 0.0834462 0.999621
+2021 2 0.401688 0.0816577 0.978049
+2028 2 0.487959 0.179353 0.997714
+2039 2 0.451212 0.0134229 0.948209
+4356 2 0.0862294 0.33186 0.846389
+2117 2 0.365642 0.130639 0.675249
+1492 1 0.235896 0.497748 0.9963
+2139 2 0.483881 0.177146 0.69199
+2140 1 0.415631 0.173957 0.748438
+2141 2 0.424251 0.181976 0.727433
+2142 2 0.444967 0.159358 0.752769
+2143 1 0.32107 0.0932462 0.896516
+2144 2 0.294855 0.0914124 0.910988
+2145 2 0.31461 0.115732 0.886098
+2158 1 0.417243 0.0303429 0.704339
+2159 2 0.391696 0.0395386 0.717579
+2160 2 0.433582 0.0520161 0.695004
+2161 1 0.414012 0.0214659 0.919625
+2162 2 0.427858 0.0315233 0.900732
+2163 2 0.405823 0.0440414 0.930449
+2164 1 0.208743 0.137768 0.902167
+2165 2 0.228775 0.156543 0.891997
+2166 2 0.194888 0.125703 0.883769
+2173 1 0.426189 0.131819 0.910379
+2174 2 0.419016 0.139001 0.889178
+2175 2 0.453569 0.147503 0.916409
+2176 1 0.315044 0.10787 0.80183
+2177 2 0.282394 0.117951 0.801306
+2178 2 0.326016 0.10957 0.780791
+2203 1 0.454986 0.202824 0.971831
+2204 2 0.464527 0.199713 0.950388
+2205 2 0.437943 0.225992 0.971185
+2284 1 0.402838 0.337895 0.728595
+2285 2 0.370575 0.336437 0.720542
+2286 2 0.406001 0.320079 0.746081
+2305 1 0.472514 0.27266 0.728158
+2306 2 0.49027 0.250434 0.732571
+2307 2 0.444064 0.274063 0.741532
+2308 1 0.399526 0.274096 0.764531
+2309 2 0.365409 0.276381 0.757924
+2310 2 0.401508 0.253787 0.777836
+2311 1 0.302731 0.152084 0.864016
+2312 2 0.27725 0.169837 0.868024
+2313 2 0.297996 0.145563 0.842446
+4353 2 0.0587546 0.247627 0.879216
+2319 2 0.48286 0.307631 0.791569
+2320 1 0.48659 0.134632 0.760701
+2321 2 0.481471 0.124046 0.781459
+2323 1 0.399342 0.268728 0.683944
+4355 2 0.0811388 0.312817 0.814159
+2325 2 0.42301 0.281567 0.696201
+2326 1 0.434953 0.20411 0.694422
+2327 2 0.434646 0.200043 0.671169
+2328 2 0.423823 0.229437 0.693012
+2329 1 0.361474 0.201543 0.884611
+2330 2 0.358612 0.195855 0.906985
+2331 2 0.343263 0.182692 0.873814
+2335 1 0.457989 0.192008 0.859667
+2336 2 0.478439 0.198432 0.842129
+2337 2 0.429373 0.207378 0.857162
+2344 1 0.479224 0.298663 0.875665
+2345 2 0.459808 0.284778 0.860754
+2347 1 0.342462 0.119842 0.741232
+2348 2 0.363105 0.141828 0.741676
+2349 2 0.309392 0.127294 0.73682
+2350 1 0.391778 0.399023 0.963073
+2351 2 0.41815 0.381944 0.965495
+2352 2 0.363016 0.385603 0.958987
+2462 2 0.472043 0.44803 0.681583
+2470 1 0.345898 0.417897 0.707213
+2471 2 0.371954 0.42343 0.721359
+2472 2 0.317435 0.427388 0.717182
+2490 2 0.487681 0.342538 0.755376
+2491 1 0.410646 0.424327 0.750592
+2492 2 0.444175 0.418317 0.752292
+2493 2 0.39311 0.406018 0.762666
+2494 1 0.452182 0.346714 0.787623
+2495 2 0.419389 0.35622 0.785774
+2496 2 0.459771 0.356266 0.80822
+2500 1 0.499862 0.409551 0.996236
+4354 1 0.0893498 0.33669 0.823785
+2515 1 0.328594 0.269273 0.882851
+2516 2 0.319855 0.277752 0.861979
+2517 2 0.344016 0.245045 0.881766
+2539 1 0.440453 0.451898 0.936268
+2540 2 0.416946 0.469463 0.930235
+2541 2 0.421304 0.431182 0.943843
+2637 2 0.331189 0.443746 0.671785
+2982 2 0.465311 0.013723 0.725021
+2989 1 0.475714 0.112251 0.818567
+2990 2 0.446072 0.109551 0.829687
+4352 2 0.08247 0.286145 0.876362
+3001 1 0.445371 0.0376501 0.865008
+3002 2 0.426635 0.0576878 0.856897
+3003 2 0.479004 0.0431455 0.861565
+3163 1 0.468158 0.0753199 0.675213
+3164 2 0.491548 0.0554209 0.673615
+3667 1 0.472157 0.3657 0.691784
+3668 2 0.443862 0.358893 0.704163
+4499 2 0.0213948 0.354522 0.801402
+4135 1 0.09528 0.0566562 0.784443
+4136 2 0.0670508 0.0540908 0.797058
+4137 2 0.0852726 0.0435135 0.766328
+4359 2 0.0641107 0.130168 0.866184
+4159 1 -0.00072468 0.0338523 0.812466
+4160 2 0.000611302 0.0606851 0.81227
+4358 2 0.0794754 0.100682 0.889297
+4201 1 0.0302472 0.203647 0.87635
+4202 2 0.030239 0.196265 0.898174
+4203 2 0.0432709 0.184373 0.863183
+4207 1 0.0507464 0.26157 0.995163
+4208 2 0.0356395 0.26244 0.974694
+4209 2 0.0510352 0.235892 1.00021
+4327 1 0.0267864 0.219149 0.777261
+4328 2 0.0319984 0.192727 0.7766
+4329 2 0.0321549 0.227378 0.755679
+4330 1 0.043768 0.128235 0.744444
+4331 2 0.0265322 0.117513 0.726705
+4332 2 0.068171 0.143662 0.735617
+4333 1 0.0321418 0.314753 0.733552
+516 2 0.338167 0.500118 0.981398
+2038 1 0.47402 0.00685975 0.964836
+1346 2 0.362157 0.431607 0.998417
+1327 1 0.340805 0.290609 0.995177
+3323 2 0.501172 0.239669 0.801639
+4191 2 0.0010912 0.120429 0.878516
+3669 2 0.49721 0.361871 0.707071
+124 1 0.00193436 0.105662 0.797089
+2033 2 0.507842 0.0157376 0.995228
+123 2 0.163665 -0.00283917 0.722369
+515 2 0.302856 0.500755 0.953298
+1148 2 0.0660055 -0.000739044 0.73544
+1011 2 0.313367 0.0194977 0.987925
+168 2 0.0864688 0.0936027 1.00047
+435 2 0.212256 0.430237 0.669189
+1452 2 0.379752 0.393991 0.666854
+2118 2 0.402438 0.0976518 0.670497
+46 1 0.118563 0.973159 0.183969
+47 2 0.14746 0.986541 0.189391
+48 2 0.118853 0.952209 0.197573
+65 2 0.037516 0.99608 0.223113
+66 2 0.0717099 0.992146 0.195427
+67 1 0.0958101 0.986957 0.278755
+68 2 0.0666087 0.988902 0.266994
+69 2 0.09384 0.962324 0.288444
+135 2 0.219554 0.972382 0.00797043
+349 1 0.221553 0.530266 0.118894
+350 2 0.226107 0.51035 0.133635
+351 2 0.241172 0.549761 0.127059
+366 2 0.0314227 0.50612 0.205921
+375 2 0.125582 0.506916 0.300053
+395 2 0.1549 0.507862 0.215409
+508 1 0.0928522 0.604735 0.093225
+509 2 0.0696206 0.62373 0.0882857
+510 2 0.108364 0.611354 0.112855
+517 1 0.278858 0.584214 0.142497
+518 2 0.263762 0.606864 0.149388
+519 2 0.294051 0.573073 0.160363
+528 2 0.168266 0.505396 0.118711
+529 1 0.074863 0.564885 0.166491
+530 2 0.0542357 0.583622 0.176233
+531 2 0.0796682 0.572386 0.144785
+532 1 0.208199 0.728306 0.234107
+533 2 0.204852 0.753355 0.240228
+534 2 0.17569 0.718287 0.23127
+535 1 0.271275 0.592906 0.255168
+536 2 0.258176 0.616845 0.249549
+537 2 0.306211 0.596001 0.256969
+538 1 0.116021 0.627552 0.204121
+539 2 0.0805999 0.623369 0.201596
+540 2 0.128588 0.621812 0.183546
+541 1 0.251479 0.659991 0.238247
+542 2 0.282453 0.670589 0.245318
+543 2 0.228826 0.679992 0.240993
+544 1 0.133968 0.547951 0.210453
+545 2 0.139239 0.57328 0.215488
+546 2 0.113031 0.549368 0.191768
+547 1 0.145942 0.621156 0.147382
+548 2 0.170589 0.612231 0.132346
+549 2 0.150997 0.647555 0.146909
+550 1 0.0689531 0.552675 0.258676
+551 2 0.0532065 0.529768 0.252241
+552 2 0.100158 0.552056 0.248649
+553 1 0.115082 0.692416 0.288642
+554 2 0.108309 0.666295 0.291414
+555 2 0.113427 0.695977 0.265888
+565 1 0.213702 0.694311 0.305095
+566 2 0.182036 0.699005 0.295669
+567 2 0.210265 0.671563 0.315889
+568 1 0.0233616 0.616714 0.190278
+569 2 0.00323199 0.627744 0.173288
+575 2 0.0762109 0.611312 0.325914
+594 2 0.0304323 0.52084 0.331348
+673 1 0.0770174 0.851389 0.0503232
+674 2 0.0674174 0.870895 0.0360225
+675 2 0.046932 0.839979 0.0573173
+676 1 0.0691879 0.795493 0.126399
+677 2 0.0913862 0.80589 0.142088
+678 2 0.0463416 0.815508 0.124769
+679 1 0.163636 0.690986 0.139457
+680 2 0.159371 0.687627 0.116972
+681 2 0.193618 0.70601 0.140534
+682 1 0.128252 0.684066 0.0811917
+683 2 0.113254 0.708173 0.0876383
+684 2 0.121103 0.680134 0.0590627
+685 1 0.241286 0.732209 0.118791
+686 2 0.262388 0.715941 0.108089
+687 2 0.226541 0.746064 0.101435
+691 1 0.118035 0.670088 0.0180514
+692 2 0.0902879 0.67111 0.00458315
+693 2 0.135651 0.693008 0.0149248
+694 1 0.187138 0.626783 0.0164608
+695 2 0.180557 0.601257 0.011499
+696 2 0.155406 0.638602 0.0200899
+697 1 0.201941 0.798042 0.153855
+698 2 0.235863 0.793 0.157991
+699 2 0.204409 0.806612 0.1316
+701 2 0.0019076 0.787815 0.188375
+703 1 0.0552874 0.746394 0.287232
+704 2 0.0706104 0.722938 0.290305
+705 2 0.0235791 0.741185 0.277535
+706 1 0.297343 0.74202 0.218575
+707 2 0.266304 0.72971 0.222858
+708 2 0.316608 0.734386 0.235996
+709 1 0.0937599 0.710259 0.174209
+710 2 0.121366 0.701325 0.161116
+711 2 0.0998717 0.736568 0.176478
+721 1 0.0932806 0.804882 0.260649
+722 2 0.0818172 0.782771 0.270583
+723 2 0.128064 0.802076 0.259294
+730 1 0.289805 0.729217 0.280027
+731 2 0.3146 0.725744 0.296098
+732 2 0.263828 0.712013 0.285253
+1994 2 0.0401275 0.997809 0.00443658
+739 1 0.0557627 0.810927 0.206479
+740 2 0.0787167 0.817971 0.190538
+741 2 0.0726346 0.806357 0.22614
+762 2 0.0626014 0.765759 0.321223
+820 1 0.198178 0.82904 0.0985355
+821 2 0.185216 0.846278 0.0840392
+822 2 0.195983 0.80624 0.0861579
+823 1 0.40501 0.776587 0.0427437
+824 2 0.416807 0.758545 0.0572413
+825 2 0.382598 0.76184 0.0307427
+829 1 0.215965 0.800483 0.000476551
+830 2 0.214068 0.817148 0.0180523
+840 2 0.0994802 0.54824 0.0224513
+841 1 0.173494 0.8527 0.0393881
+842 2 0.165663 0.866061 0.0201929
+843 2 0.141618 0.843878 0.0466366
+847 1 0.287766 0.771512 0.162491
+848 2 0.285587 0.761435 0.183274
+849 2 0.277023 0.752475 0.148378
+850 1 0.301855 0.837355 0.17636
+851 2 0.309177 0.847521 0.156374
+852 2 0.300334 0.811371 0.171331
+853 1 0.134728 0.953846 0.125909
+854 2 0.126571 0.968575 0.143311
+855 2 0.159265 0.968154 0.115411
+860 2 0.0828768 0.815805 0.00442749
+862 1 0.194321 0.868497 0.223442
+863 2 0.206926 0.863846 0.202956
+864 2 0.166238 0.8843 0.218728
+865 1 0.0198435 0.705926 0.132016
+866 2 0.0409058 0.710646 0.150253
+2712 2 0.488356 0.812871 0.00308868
+868 1 0.114613 0.833173 0.163695
+869 2 0.127807 0.857605 0.162301
+870 2 0.143301 0.818648 0.160386
+871 1 0.123729 0.926128 0.231179
+872 2 0.102995 0.907829 0.241351
+873 2 0.139271 0.937244 0.248629
+874 1 0.0291992 0.887937 0.140226
+875 2 0.042885 0.90022 0.121554
+876 2 0.0562913 0.879224 0.151699
+877 1 0.168141 0.902651 0.160788
+878 2 0.198769 0.912484 0.166809
+879 2 0.154475 0.92064 0.146787
+880 1 0.146388 0.771084 0.192013
+881 2 0.171382 0.778781 0.176121
+882 2 0.157561 0.783343 0.210892
+886 1 0.183421 0.994421 0.257842
+887 2 0.149267 0.99256 0.263334
+889 1 0.099675 0.919658 0.30397
+890 2 0.0788093 0.90316 0.292702
+891 2 0.0826906 0.925514 0.323513
+895 1 0.388802 0.86689 0.318911
+896 2 0.418922 0.865431 0.331314
+897 2 0.363195 0.874278 0.333618
+898 1 0.302374 0.977808 0.307205
+907 1 0.066842 0.876412 0.260043
+908 2 0.0773717 0.851671 0.263749
+909 2 0.0369125 0.876307 0.247361
+911 2 0.171025 0.849227 0.319084
+991 1 0.114727 0.936061 0.033901
+992 2 0.103979 0.959726 0.0269245
+993 2 0.146015 0.940669 0.0417682
+997 1 0.204826 0.947018 0.0520081
+998 2 0.218057 0.923342 0.0560109
+999 2 0.209705 0.961736 0.0709957
+1030 1 0.33615 0.926554 0.0860193
+1031 2 0.357145 0.945128 0.0949397
+1032 2 0.337442 0.928357 0.0634362
+4763 2 0.0111711 0.838198 0.318541
+1051 1 0.220345 0.985666 0.102861
+1053 2 0.233903 0.985985 0.123589
+1054 1 0.273705 0.966519 0.248915
+1055 2 0.239051 0.969086 0.250203
+1056 2 0.286381 0.964922 0.269873
+1075 1 0.257071 0.916709 0.176113
+1076 2 0.279147 0.923878 0.19236
+1077 2 0.272453 0.896472 0.165187
+1159 1 0.335217 0.939595 0.0261342
+1160 2 0.359321 0.936875 0.00976994
+1161 2 0.309024 0.954092 0.0177189
+1348 1 0.316977 0.550594 0.0358377
+1349 2 0.305982 0.55971 0.0159783
+1350 2 0.342824 0.532086 0.0352885
+899 2 0.279529 0.997336 0.309882
+1493 2 0.219051 0.512065 0.010137
+1513 1 0.409481 0.594106 0.0596735
+1514 2 0.391699 0.612952 0.0492403
+1515 2 0.395276 0.5946 0.0808468
+1516 1 0.258323 0.597626 0.0577314
+1517 2 0.258469 0.611271 0.0381821
+1518 2 0.283216 0.578529 0.0566334
+1519 1 0.322115 0.541344 0.178916
+1520 2 0.330846 0.542247 0.20022
+1521 2 0.341514 0.522792 0.168622
+1522 1 0.450928 0.527755 0.071986
+1523 2 0.428614 0.51704 0.0566404
+1524 2 0.44717 0.553511 0.0679537
+1525 1 0.369555 0.681585 0.101034
+1526 2 0.338238 0.679578 0.0906337
+1527 2 0.359271 0.687335 0.122694
+1534 1 0.197232 0.548415 0.0322354
+1535 2 0.164475 0.544749 0.0388727
+1536 2 0.211775 0.56624 0.0457567
+1537 1 0.369527 0.585923 0.113973
+1538 2 0.375177 0.561457 0.120652
+1539 2 0.336777 0.592977 0.120369
+1540 1 0.349408 0.673956 0.251614
+1541 2 0.352009 0.649945 0.260632
+1542 2 0.370646 0.688447 0.264381
+1543 1 0.479366 0.509505 0.277526
+1545 2 0.461847 0.531705 0.273345
+1546 1 0.453859 0.624638 0.205766
+1547 2 0.43165 0.64162 0.194938
+1548 2 0.481 0.640658 0.21221
+1549 1 0.39098 0.679833 0.194724
+1550 2 0.382173 0.674133 0.216257
+1551 2 0.395453 0.706546 0.194335
+1558 1 0.357179 0.605187 0.26913
+1559 2 0.353281 0.607285 0.291612
+1560 2 0.390285 0.596732 0.266465
+1561 1 0.219909 0.575371 0.307124
+1562 2 0.234189 0.585717 0.288758
+1563 2 0.240956 0.554728 0.312297
+1570 1 0.275088 0.519248 0.314677
+1571 2 0.282234 0.517164 0.292419
+4879 1 0.0693609 0.921367 0.095887
+1579 1 0.292904 0.521043 0.253138
+1580 2 0.272373 0.503548 0.241892
+1581 2 0.281249 0.546127 0.249825
+1663 1 0.362394 0.651184 0.025727
+1664 2 0.374235 0.675067 0.030051
+1665 2 0.326841 0.653039 0.0240381
+1681 1 0.288311 0.673871 0.0789351
+1682 2 0.266889 0.658261 0.0910684
+1683 2 0.281985 0.66596 0.0571168
+1684 1 0.202266 0.624064 0.0970207
+1685 2 0.179289 0.637651 0.0851078
+1686 2 0.222572 0.612641 0.0809647
+1687 1 0.462318 0.741619 0.127597
+1688 2 0.466407 0.76771 0.125427
+1689 2 0.460333 0.734676 0.149262
+1690 1 0.435837 0.722641 0.0739687
+1691 2 0.451131 0.733093 0.0922642
+1692 2 0.409019 0.70826 0.0823981
+1693 1 0.392961 0.839852 0.0656598
+1694 2 0.401895 0.815487 0.057852
+1695 2 0.395985 0.837674 0.0877848
+1696 1 0.272129 0.655768 0.0195154
+1698 2 0.238981 0.648666 0.0208822
+1702 1 0.164161 0.74195 0.00394712
+364 1 0.030531 0.500784 0.22796
+1705 1 0.417118 0.856316 0.236555
+1706 2 0.391063 0.841973 0.245095
+1707 2 0.416116 0.878723 0.249789
+1708 1 0.174221 0.875358 0.285471
+1709 2 0.150491 0.894389 0.290196
+1710 2 0.18141 0.875457 0.26388
+1711 1 0.407437 0.786537 0.303717
+1712 2 0.391983 0.808 0.295649
+1713 2 0.409408 0.79085 0.3262
+1714 1 0.398928 0.750957 0.197045
+1715 2 0.363618 0.749645 0.198327
+1716 2 0.405664 0.776712 0.195811
+1717 1 0.432212 0.90967 0.278751
+1718 2 0.442501 0.925347 0.296171
+1719 2 0.412905 0.892664 0.292027
+1720 1 0.322174 0.691643 0.151136
+1721 2 0.347006 0.689736 0.166747
+1722 2 0.293866 0.67899 0.159947
+1723 1 0.245787 0.656729 0.174383
+1724 2 0.212719 0.65369 0.171146
+1725 2 0.249631 0.652854 0.197007
+1726 1 0.352644 0.812182 0.260577
+1727 2 0.336146 0.831179 0.247638
+1728 2 0.328164 0.80512 0.275314
+1731 2 0.471482 0.775624 0.292426
+1732 1 0.168254 0.768243 0.318574
+1733 2 0.146054 0.750098 0.325549
+1734 2 0.159379 0.790807 0.329549
+1740 2 0.422829 0.667737 0.317454
+1741 1 0.350365 0.728087 0.324824
+1743 2 0.378981 0.742781 0.320267
+1744 1 0.335867 0.61753 0.329466
+738 2 0.186724 0.604164 0.329916
+1747 1 0.411274 0.73455 0.257571
+1748 2 0.416666 0.742673 0.235937
+1749 2 0.404647 0.756757 0.26914
+1831 1 0.34538 0.732002 0.0148054
+1833 2 0.315026 0.722874 0.0223828
+2060 2 0.401382 0.99888 0.104704
+1852 1 0.321838 0.88176 0.134557
+1853 2 0.312333 0.893522 0.115099
+1854 2 0.35369 0.891327 0.138502
+1855 1 0.451432 0.964071 0.229297
+1856 2 0.435212 0.952155 0.246608
+1857 2 0.46658 0.944333 0.217166
+1858 1 0.489087 0.975278 0.048573
+4904 2 0.0119748 0.8435 0.212345
+1860 2 0.457345 0.986282 0.0434972
+1861 1 0.253424 0.986228 0.160562
+1862 2 0.282724 0.996663 0.169743
+1863 2 0.255547 0.960357 0.16592
+1867 1 0.325373 0.84584 0.0272916
+1868 2 0.295135 0.837833 0.0375485
+1869 2 0.348661 0.847064 0.0434415
+1870 1 0.196374 0.765034 0.0692301
+1871 2 0.193848 0.755147 0.0486873
+1872 2 0.165283 0.757572 0.0781835
+1873 1 0.305404 0.859219 0.231807
+1874 2 0.272595 0.855778 0.23794
+1875 2 0.30675 0.854948 0.209369
+1888 1 0.188337 0.800997 0.242256
+1889 2 0.191483 0.825835 0.233631
+1890 2 0.207944 0.801499 0.262032
+1891 1 0.334232 0.924991 0.217071
+1892 2 0.32639 0.901945 0.227067
+1893 2 0.315455 0.941002 0.230557
+1894 1 0.249245 0.79345 0.290914
+1895 2 0.221795 0.788878 0.304962
+1896 2 0.263879 0.769267 0.286991
+1912 1 0.451212 0.954553 0.328958
+1914 2 0.430166 0.972885 0.318942
+1917 2 0.353403 0.99306 0.301919
+1993 1 0.0627924 0.998956 0.0222883
+1859 2 0.489849 0.950847 0.0405354
+2059 1 0.401683 0.973939 0.111826
+2061 2 0.394854 0.974687 0.133805
+2366 2 0.495485 0.59688 0.195932
+2542 1 0.488698 0.554133 0.139338
+2543 2 0.45577 0.544428 0.136622
+4881 2 0.0796497 0.920499 0.0744684
+2545 1 0.452057 0.647513 0.113162
+2546 2 0.437258 0.62391 0.115943
+2547 2 0.423985 0.663095 0.10963
+2548 1 0.45281 0.680841 0.286739
+2549 2 0.438973 0.70239 0.276574
+2550 2 0.488035 0.682262 0.28513
+2551 1 0.444226 0.584862 0.262079
+2552 2 0.472002 0.597185 0.272186
+2553 2 0.444318 0.594607 0.240806
+2563 1 0.386908 0.512322 0.138826
+2565 2 0.372726 0.503973 0.119174
+2570 2 0.48441 0.594795 0.316022
+2668 1 0.48101 0.713427 0.018832
+2669 2 0.482607 0.739658 0.0177709
+2670 2 0.469855 0.709556 0.0411055
+2690 2 0.472163 0.870058 0.00814649
+2692 1 0.440193 0.819077 0.187622
+2693 2 0.427635 0.832716 0.206165
+2694 2 0.465675 0.803048 0.1963
+2707 1 0.491006 0.63451 0.0593154
+2708 2 0.463138 0.61865 0.0579971
+2709 2 0.484158 0.647378 0.0785185
+2710 1 0.486356 0.789271 0.013618
+2711 2 0.453908 0.789633 0.0239217
+2860 1 0.394295 0.970109 0.179146
+2861 2 0.4184 0.976506 0.194283
+2862 2 0.375628 0.951714 0.190088
+2863 1 0.420609 0.879656 0.145612
+2864 2 0.415785 0.853993 0.144244
+2865 2 0.438182 0.884213 0.165255
+2875 1 0.45323 0.889575 0.0400179
+2876 2 0.432685 0.870308 0.047571
+2877 2 0.450581 0.906502 0.0572071
+2878 1 0.458615 0.919575 0.102784
+2879 2 0.43916 0.941747 0.102559
+2880 2 0.440022 0.902801 0.116442
+2896 1 0.471617 0.900587 0.197146
+2897 2 0.455508 0.885724 0.21298
+2900 2 0.49048 0.925571 0.164261
+2901 2 0.493911 0.934637 0.129606
+3907 1 0.471494 0.813796 0.122479
+4880 2 0.0942754 0.936868 0.104941
+3909 2 0.46649 0.817262 0.144317
+1043 2 0.352452 0.99733 0.181597
+4543 1 0.105055 0.548076 0.0599368
+4544 2 0.099265 0.571158 0.0710289
+4545 2 0.0818314 0.530296 0.0681591
+4570 1 0.121859 0.690194 0.229185
+4571 2 0.125829 0.664111 0.224863
+4572 2 0.108988 0.698223 0.208318
+4708 1 0.0893916 0.775466 0.0283431
+4709 2 0.116808 0.760465 0.019576
+4710 2 0.0592892 0.764629 0.020809
+900 2 0.303759 0.965549 0.32751
+1529 2 0.251966 0.505711 0.0827107
+4720 1 0.0241714 0.653103 0.0891815
+4721 2 0.00784041 0.662137 0.0703999
+4722 2 0.026459 0.674839 0.102122
+4768 1 0.0725106 0.629302 0.291538
+4769 2 0.0437236 0.644551 0.287463
+4770 2 0.0704835 0.607339 0.278872
+4855 1 0.100817 0.749844 0.0863493
+4856 2 0.0899272 0.762113 0.0667907
+4857 2 0.0890401 0.767713 0.102094
+4873 1 0.0504608 0.894424 0.00871361
+4874 2 0.0191276 0.906736 0.00819609
+4875 2 0.0742884 0.913659 0.013044
+4072 1 0.00469678 0.983334 0.258436
+4403 2 0.0131625 0.513799 0.149069
+744 2 0.0125057 0.953462 0.332763
+1703 2 0.183723 0.764507 0.00211656
+2006 2 0.307776 0.867213 -0.00134548
+88 1 0.18761 0.958715 0.350984
+2590 1 0.426596 0.503041 0.380792
+90 2 0.189534 0.98482 0.345623
+117 2 0.017668 0.94683 0.416361
+412 1 0.0356771 0.505941 0.521597
+414 2 0.0455524 0.531733 0.52256
+556 1 0.0362955 0.505634 0.438161
+558 2 0.0574781 0.511389 0.420704
+559 1 0.243063 0.58879 0.397755
+560 2 0.276965 0.585354 0.396083
+561 2 0.23023 0.570664 0.412573
+562 1 0.147899 0.66858 0.386522
+563 2 0.146726 0.651757 0.369548
+564 2 0.175384 0.660908 0.399177
+574 1 0.0829622 0.60162 0.346518
+576 2 0.117376 0.602469 0.349515
+577 1 0.0946753 0.516227 0.392765
+578 2 0.125685 0.508063 0.385256
+579 2 0.0793711 0.527532 0.374672
+580 1 0.134442 0.573947 0.432272
+581 2 0.167997 0.566288 0.435816
+582 2 0.118288 0.556993 0.418954
+89 2 0.155789 0.950466 0.34398
+586 1 0.220125 0.548008 0.440153
+587 2 0.220652 0.551739 0.46261
+588 2 0.240361 0.526484 0.437009
+589 1 0.143521 0.64156 0.598336
+590 2 0.120582 0.626557 0.587347
+591 2 0.127703 0.665097 0.601955
+592 1 0.042726 0.535282 0.347948
+593 2 0.047832 0.559429 0.339946
+604 1 0.0912313 0.576328 0.603513
+605 2 0.0614 0.56224 0.60651
+606 2 0.105081 0.579827 0.624406
+607 1 0.261684 0.57452 0.648792
+608 2 0.239403 0.594642 0.647047
+610 1 0.172842 0.520443 0.651618
+611 2 0.167453 0.51767 0.62921
+2640 2 0.490003 0.691623 0.626854
+613 1 0.228302 0.719721 0.624007
+614 2 0.249026 0.727148 0.641394
+615 2 0.246711 0.698931 0.615826
+619 1 0.00691819 0.618973 0.504686
+620 2 0.0225036 0.641334 0.498865
+621 2 0.0346346 0.60234 0.500829
+622 1 0.116227 0.574354 0.664545
+2119 1 0.396694 0.998211 0.572518
+624 2 0.13521 0.551973 0.664667
+724 1 0.067957 0.843003 0.343628
+725 2 0.0487907 0.852437 0.360567
+726 2 0.0660723 0.815442 0.343342
+727 1 0.220112 0.725717 0.485687
+728 2 0.209003 0.734061 0.465086
+729 2 0.243877 0.743009 0.493065
+733 1 0.303857 0.751953 0.413714
+734 2 0.287741 0.73543 0.399368
+735 2 0.328768 0.737706 0.422227
+736 1 0.173259 0.610166 0.349574
+737 2 0.196147 0.596421 0.361887
+2152 1 0.496502 0.958865 0.660101
+745 1 0.10356 0.787026 0.457741
+746 2 0.135072 0.77635 0.451369
+747 2 0.0946533 0.771891 0.475451
+748 1 0.101482 0.703755 0.60265
+749 2 0.110089 0.720031 0.620211
+750 2 0.0675074 0.697622 0.604449
+751 1 0.241025 0.797355 0.556999
+752 2 0.244321 0.791408 0.534973
+753 2 0.212072 0.785427 0.564304
+754 1 0.0887202 0.743638 0.505129
+755 2 0.105434 0.747437 0.525299
+756 2 0.0993441 0.722151 0.494734
+757 1 0.191521 0.760117 0.431536
+758 2 0.214952 0.773317 0.418747
+759 2 0.167644 0.75102 0.416914
+760 1 0.0645593 0.774443 0.342979
+761 2 0.0458991 0.756183 0.355115
+763 1 0.129824 0.735261 0.39148
+764 2 0.105557 0.739152 0.375906
+765 2 0.139225 0.709366 0.38984
+771 2 0.15395 0.754524 0.662686
+767 2 0.0108048 0.740994 0.465364
+768 2 0.023757 0.699126 0.463751
+769 1 0.145818 0.748164 0.640932
+770 2 0.175919 0.736716 0.634857
+778 1 0.188963 0.618646 0.650043
+779 2 0.165744 0.602748 0.660606
+780 2 0.171506 0.628355 0.631494
+781 1 0.177956 0.741463 0.57908
+782 2 0.198186 0.734688 0.59655
+783 2 0.146371 0.732221 0.584515
+892 1 0.218613 0.906172 0.421509
+893 2 0.217767 0.894579 0.401139
+894 2 0.247456 0.89828 0.433112
+4791 2 -0.00141266 0.876529 0.514181
+904 1 0.228774 0.809102 0.389155
+905 2 0.199084 0.822293 0.395631
+906 2 0.22287 0.803357 0.367858
+910 1 0.163966 0.83585 0.338346
+912 2 0.130515 0.842633 0.342001
+915 2 0.0287218 0.953348 0.477352
+919 1 0.121529 0.929994 0.590116
+920 2 0.114103 0.90701 0.580727
+921 2 0.0975821 0.946867 0.582583
+922 1 0.234601 0.890962 0.360662
+923 2 0.212396 0.870875 0.355107
+924 2 0.221091 0.912238 0.350779
+925 1 0.252147 0.899118 0.506698
+926 2 0.266406 0.89387 0.486886
+927 2 0.277405 0.913601 0.51743
+928 1 0.0772991 0.932459 0.414943
+929 2 0.0831047 0.911925 0.428867
+930 2 0.0897499 0.952787 0.426452
+931 1 0.0823585 0.870537 0.45669
+932 2 0.0485396 0.869395 0.450319
+933 2 0.0939817 0.845981 0.456
+934 1 0.163967 0.928327 0.515401
+935 2 0.147629 0.905916 0.51383
+936 2 0.198367 0.921556 0.512709
+937 1 0.0339599 0.950102 0.561699
+938 2 0.0036282 0.949866 0.550814
+939 2 0.0373676 0.975739 0.565317
+943 1 0.0157097 0.984193 0.667294
+1790 2 0.498245 0.821285 0.594229
+946 1 0.102825 0.859892 0.57182
+947 2 0.111013 0.855092 0.549946
+948 2 0.112496 0.839203 0.584164
+953 2 0.132189 0.83431 0.652296
+954 2 0.151831 0.873196 0.655362
+955 1 0.0246629 0.88467 0.59101
+956 2 0.0518589 0.869568 0.584088
+957 2 0.0293111 0.908901 0.58174
+958 1 0.0318098 0.783908 0.627667
+960 2 0.00505302 0.797437 0.637585
+976 1 0.115326 0.806556 0.611444
+977 2 0.130789 0.786811 0.622989
+978 2 0.0808087 0.800399 0.613932
+1087 1 0.316604 0.93418 0.536957
+1088 2 0.314444 0.935948 0.559794
+1089 2 0.348042 0.944706 0.532267
+1096 1 0.147113 0.996692 0.509395
+1097 2 0.151651 0.971254 0.513629
+1099 1 0.235257 0.973543 0.404213
+1100 2 0.213455 0.97346 0.385938
+1101 2 0.229913 0.950634 0.414707
+1122 2 0.249063 0.994856 0.595245
+1124 2 0.225631 0.98559 0.552013
+1396 1 0.272003 0.509842 0.37896
+1397 2 0.283235 0.523034 0.360055
+1398 2 0.299453 0.506664 0.39171
+1403 2 0.36357 0.524506 0.437205
+1405 1 0.382597 0.555031 0.458973
+1406 2 0.415396 0.5633 0.462616
+1407 2 0.369884 0.572298 0.443378
+1444 1 0.384606 0.517585 0.653975
+1813 1 0.313606 0.886467 0.661619
+1564 1 0.225921 0.65173 0.418123
+1565 2 0.243952 0.658007 0.437212
+1566 2 0.234769 0.626843 0.412558
+1567 1 0.350465 0.5919 0.406239
+1568 2 0.365079 0.576554 0.390395
+1569 2 0.374724 0.609495 0.414475
+1573 1 0.41391 0.628353 0.433307
+1574 2 0.442312 0.639919 0.423104
+1575 2 0.417681 0.633716 0.45557
+1582 1 0.280659 0.659903 0.364553
+1583 2 0.260929 0.658129 0.383252
+1584 2 0.273031 0.684155 0.357746
+1585 1 0.282967 0.661737 0.479026
+1586 2 0.309052 0.648138 0.487969
+1587 2 0.257123 0.653444 0.491648
+1588 1 0.15033 0.681423 0.504445
+1589 2 0.170896 0.660942 0.510056
+1590 2 0.170044 0.700739 0.495332
+1591 1 0.361064 0.529149 0.565787
+1592 2 0.338834 0.528058 0.54853
+1593 2 0.375654 0.505005 0.569212
+1594 1 0.235729 0.569937 0.502751
+1595 2 0.269586 0.568158 0.507001
+1596 2 0.22101 0.551125 0.516113
+1597 1 0.221168 0.634419 0.523488
+1598 2 0.224403 0.624689 0.544451
+1599 2 0.216329 0.611362 0.511587
+1606 1 0.232963 0.51864 0.544009
+1607 2 0.237645 0.520436 0.566386
+1608 2 0.258332 0.503662 0.534381
+1609 1 0.397813 0.57003 0.612675
+1610 2 0.390657 0.553168 0.629264
+1611 2 0.390108 0.554679 0.595293
+4961 2 0.0413269 0.739409 0.526023
+1620 2 0.415454 0.603389 0.647606
+1630 1 0.274053 0.535708 0.598935
+1631 2 0.307815 0.536741 0.591355
+1632 2 0.273179 0.55287 0.617479
+1735 1 0.404479 0.741715 0.410561
+1736 2 0.389506 0.71813 0.406255
+1737 2 0.412521 0.740537 0.432146
+1738 1 0.413487 0.65577 0.336925
+1739 2 0.436036 0.634871 0.336524
+1742 2 0.355459 0.719538 0.346067
+1745 2 0.308291 0.62557 0.342727
+1750 1 0.267085 0.725345 0.35444
+1751 2 0.291884 0.734977 0.341033
+1752 2 0.241184 0.719911 0.339347
+1753 1 0.301825 0.821798 0.423358
+1754 2 0.27219 0.824814 0.410902
+1755 2 0.306109 0.795444 0.419668
+1756 1 0.304409 0.754284 0.580521
+1757 2 0.289024 0.733434 0.56948
+1758 2 0.284871 0.774051 0.574005
+1759 1 0.389327 0.73026 0.591514
+1760 2 0.357941 0.741048 0.588806
+1761 2 0.389415 0.722417 0.613779
+1762 1 0.357312 0.717191 0.466552
+1763 2 0.326551 0.702727 0.468053
+1764 2 0.355608 0.733897 0.483728
+1765 1 0.343096 0.86398 0.536086
+1766 2 0.33037 0.852476 0.55401
+1767 2 0.32529 0.887689 0.5343
+1768 1 0.488284 0.655399 0.408807
+1619 2 0.372171 0.590464 0.668303
+1771 1 0.085857 0.57338 0.504569
+1772 2 0.111267 0.569797 0.520948
+1773 2 0.0991067 0.56305 0.485947
+1774 1 0.261874 0.707155 0.549389
+1775 2 0.258173 0.692725 0.531377
+1776 2 0.22909 0.715613 0.553381
+1777 1 0.278856 0.666059 0.603375
+1778 2 0.277482 0.680053 0.584006
+1779 2 0.267214 0.641395 0.598638
+1786 1 0.312736 0.785306 0.636412
+1787 2 0.306676 0.773734 0.616489
+1788 2 0.331476 0.8073 0.633699
+1789 1 0.49416 0.828468 0.616107
+1402 1 0.357108 0.502856 0.424667
+1791 2 0.485656 0.806623 0.627775
+1792 1 0.226624 0.610852 0.581279
+1793 2 0.19485 0.622822 0.585076
+1794 2 0.221613 0.585646 0.585668
+1795 1 0.135943 0.556615 0.553735
+1796 2 0.116626 0.565246 0.571774
+1797 2 0.153918 0.535995 0.561691
+1800 2 0.289443 0.756198 0.660732
+1814 2 0.286728 0.892355 0.64812
+1816 1 0.394759 0.706802 0.645143
+1817 2 0.373494 0.700788 0.662661
+1818 2 0.422355 0.691336 0.647414
+1903 1 0.389633 0.842705 0.413672
+1904 2 0.39251 0.863663 0.42656
+1905 2 0.355745 0.835117 0.415205
+1906 1 0.421862 0.962856 0.401932
+1907 2 0.428896 0.988466 0.407192
+1908 2 0.41363 0.964563 0.380381
+1913 2 0.479893 0.966754 0.336838
+1921 1 0.312815 0.969248 0.365718
+1922 2 0.288994 0.967495 0.382584
+1923 2 0.32659 0.993454 0.367686
+1924 1 0.0906778 0.988603 0.452931
+1925 2 0.111615 0.989746 0.471078
+1927 1 0.425555 0.890049 0.559109
+1928 2 0.399146 0.875693 0.551012
+1929 2 0.420891 0.887029 0.581568
+1930 1 0.368251 0.911115 0.419836
+1931 2 0.366756 0.894411 0.401775
+1932 2 0.380683 0.931387 0.407733
+1933 1 0.396375 0.867411 0.486049
+1934 2 0.404023 0.892978 0.486934
+1935 2 0.37168 0.863693 0.502895
+1936 1 0.278198 0.779258 0.500682
+1937 2 0.278932 0.793152 0.481022
+1938 2 0.310171 0.781015 0.509409
+1939 1 0.160841 0.845436 0.410488
+1940 2 0.167361 0.870423 0.418095
+1941 2 0.126594 0.841888 0.410293
+1942 1 0.291478 0.882075 0.450494
+1943 2 0.2973 0.857388 0.442082
+1944 2 0.319897 0.896789 0.446317
+1945 1 0.245894 0.869333 0.568427
+1946 2 0.244553 0.843037 0.566623
+1947 2 0.247317 0.877687 0.546898
+1948 1 0.162886 0.914307 0.643665
+1949 2 0.147724 0.92053 0.623705
+1950 2 0.146907 0.932035 0.656214
+1957 1 0.434579 0.885105 0.623899
+1958 2 0.465516 0.872717 0.620802
+1959 2 0.437771 0.897763 0.642952
+1960 1 0.242114 0.902152 0.624115
+1961 2 0.233933 0.889039 0.605144
+1962 2 0.213438 0.904124 0.636623
+1963 1 0.133887 0.86048 0.507676
+1964 2 0.113776 0.870541 0.49169
+1965 2 0.163172 0.848512 0.49877
+1966 1 0.211581 0.957993 0.587298
+1967 2 0.231169 0.93943 0.597234
+1968 2 0.178862 0.948175 0.587929
+959 2 0.0227408 0.779178 0.606657
+2121 2 0.402134 0.982123 0.554585
+2131 1 0.402974 0.950154 0.526315
+2132 2 0.412085 0.928216 0.539047
+2133 2 0.409958 0.944958 0.504547
+2154 2 0.461994 0.965752 0.658084
+2155 1 0.342006 0.944748 0.597014
+2156 2 0.352292 0.936278 0.616845
+2157 2 0.360411 0.966618 0.591548
+2929 1 0.497513 0.902003 0.482871
+2428 1 0.327473 0.550133 0.509883
+2429 2 0.317611 0.524313 0.508931
+2430 2 0.349198 0.55462 0.492291
+2569 1 0.467672 0.590421 0.335832
+2571 2 0.495755 0.583982 0.34872
+2581 1 0.483722 0.547224 0.411971
+2582 2 0.485678 0.564505 0.429343
+2587 1 0.385799 0.559758 0.352111
+2588 2 0.419449 0.566219 0.346566
+2589 2 0.367692 0.57748 0.339818
+2591 2 0.447198 0.519623 0.39354
+2592 2 0.409196 0.519329 0.366031
+2593 1 0.448819 0.550086 0.524718
+2594 2 0.416946 0.541645 0.527793
+2595 2 0.449018 0.573979 0.534197
+2596 1 0.413995 0.633464 0.490171
+2597 2 0.382832 0.63644 0.500044
+2598 2 0.435343 0.625803 0.507106
+2608 1 0.482437 0.574462 0.472642
+2609 2 0.472757 0.5672 0.493789
+2610 2 0.498338 0.597612 0.473352
+2611 1 0.331591 0.628766 0.521259
+2612 2 0.323619 0.603412 0.518542
+2613 2 0.343301 0.631586 0.542662
+2617 1 0.474827 0.608145 0.619749
+2618 2 0.449566 0.591465 0.612452
+4929 2 0.0678826 0.933567 0.375941
+4960 1 0.0188553 0.736874 0.542938
+2638 1 0.482584 0.671739 0.641559
+2639 2 0.477705 0.648593 0.630029
+2740 1 0.472465 0.877118 0.344647
+2741 2 0.476444 0.903789 0.343587
+2742 2 0.486101 0.871708 0.3642
+2744 2 0.4766 0.772943 0.363024
+2758 1 0.365354 0.691083 0.375456
+2759 2 0.387924 0.676803 0.361772
+2760 2 0.335827 0.676661 0.375484
+2761 1 0.41943 0.792249 0.368292
+2762 2 0.412075 0.770884 0.381663
+2763 2 0.411011 0.81443 0.379654
+2764 1 0.454239 0.703603 0.492501
+2765 2 0.452551 0.6764 0.49502
+2766 2 0.425361 0.70805 0.480951
+2774 2 0.480158 0.777453 0.462867
+2775 2 0.492321 0.738006 0.476632
+2779 1 0.4372 0.810538 0.463342
+2780 2 0.422617 0.832466 0.47351
+2781 2 0.425362 0.813817 0.441987
+2782 1 0.373519 0.778502 0.510928
+2783 2 0.378192 0.788152 0.532013
+2784 2 0.40081 0.786121 0.498402
+2785 1 0.464575 0.712719 0.557937
+2786 2 0.434774 0.717653 0.570717
+2787 2 0.455913 0.714059 0.536665
+2788 1 0.362678 0.842443 0.627411
+2789 2 0.390161 0.858956 0.625827
+2790 2 0.338804 0.85782 0.638116
+2800 1 0.450724 0.616943 0.547941
+2801 2 0.429076 0.628601 0.562142
+2802 2 0.482006 0.617037 0.558069
+2803 1 0.367403 0.629636 0.579581
+2804 2 0.37517 0.612786 0.59518
+2805 2 0.351218 0.649893 0.590179
+2806 1 0.475251 0.770908 0.652907
+2807 2 0.491361 0.754412 0.63822
+2908 1 0.410756 0.942242 0.46903
+2909 2 0.399309 0.937187 0.447887
+2910 2 0.420104 0.968354 0.47123
+2913 2 0.479522 0.945968 0.414066
+2931 2 0.473041 0.92072 0.478489
+2943 2 0.485313 0.89219 0.552205
+2945 2 0.484552 0.818569 0.48987
+2947 1 0.328634 0.901159 0.357095
+2948 2 0.328119 0.927333 0.361702
+2949 2 0.294363 0.894104 0.358026
+2950 1 0.393964 0.799187 0.567724
+2951 2 0.398397 0.773932 0.574184
+2952 2 0.394183 0.811614 0.587396
+4985 2 0.00410179 0.78441 0.544406
+3644 2 0.500464 0.526686 0.551717
+3645 2 0.485748 0.515556 0.586039
+4591 1 0.0271512 0.600552 0.398527
+4592 2 0.0500672 0.600209 0.381547
+4593 2 0.0468091 0.612439 0.414401
+4594 1 0.0973646 0.640252 0.427491
+4595 2 0.115688 0.618097 0.432661
+4596 2 0.116243 0.649521 0.410085
+4642 1 0.0132155 0.536857 0.609762
+4643 2 0.0130504 0.51068 0.614758
+4649 2 0.0259989 0.535002 0.649799
+4759 1 0.00759575 0.874126 0.380558
+4761 2 0.023492 0.863046 0.398487
+4765 1 0.0699803 0.812415 0.404641
+4766 2 0.0765745 0.800376 0.424438
+4767 2 0.0794013 0.796269 0.387086
+4783 1 0.0700756 0.673581 0.47397
+4784 2 0.099807 0.674644 0.486821
+4785 2 0.0813993 0.658218 0.456507
+4798 1 0.0355683 0.714082 0.366941
+4799 2 0.00214251 0.704986 0.368386
+4800 2 0.0562561 0.697965 0.378034
+4808 2 0.0346923 0.749052 0.6531
+4810 1 0.0152573 0.687565 0.616542
+4811 2 0.0191739 0.697242 0.638029
+4813 1 0.00803578 0.894927 0.651563
+4814 2 0.0198056 0.893951 0.629977
+4815 2 0.0357898 0.899584 0.665313
+4927 1 0.053742 0.92971 0.354894
+4928 2 0.0310463 0.910306 0.35863
+1613 2 0.2661 0.670341 0.664664
+609 2 0.242388 0.555882 0.661258
+1746 2 0.362847 0.632949 0.335876
+118 1 0.114613 0.96312 0.669789
+119 2 0.0812078 0.970079 0.669449
+120 2 0.132891 0.985273 0.674319
+121 1 0.189218 0.987963 0.73571
+122 2 0.178207 0.962654 0.738431
+506 2 0.00220395 0.520469 0.999309
+133 1 0.247615 0.983232 0.998065
+134 2 0.236275 0.986195 0.976869
+142 1 0.054874 0.958809 0.753525
+143 2 0.044811 0.935234 0.746158
+144 2 0.0449184 0.95632 0.774758
+154 1 0.180613 0.986761 0.951108
+155 2 0.168405 0.99912 0.970403
+156 2 0.153041 0.974322 0.942499
+163 1 0.238935 0.965528 0.858118
+164 2 0.263099 0.984394 0.860357
+165 2 0.228146 0.96879 0.837121
+440 2 0.104874 0.501782 0.713433
+441 2 0.0617984 0.507268 0.689904
+445 1 0.10027 0.55895 0.734409
+446 2 0.111307 0.573839 0.751383
+447 2 0.0786379 0.542522 0.74601
+469 1 0.153571 0.527935 0.811149
+470 2 0.144824 0.549345 0.822458
+471 2 0.148346 0.507363 0.826244
+505 1 0.00222532 0.541928 0.98564
+5005 1 0.0163895 0.936001 0.868462
+507 2 0.0363589 0.548772 0.98437
+514 1 0.329842 0.514847 0.963128
+4163 2 0.00773318 0.978628 0.883595
+1614 2 0.224387 0.64455 0.672138
+5027 2 0.0704854 0.741716 0.890519
+625 1 0.163645 0.617425 0.717106
+626 2 0.146403 0.594199 0.716499
+627 2 0.192321 0.613566 0.728928
+628 1 0.127108 0.600996 0.842521
+629 2 0.153155 0.603907 0.857213
+630 2 0.099815 0.613624 0.85222
+631 1 0.200988 0.6168 0.882422
+632 2 0.222598 0.602828 0.895616
+633 2 0.182331 0.633594 0.89575
+634 1 0.291701 0.540447 0.83201
+635 2 0.279541 0.564977 0.827062
+636 2 0.326613 0.544966 0.83293
+637 1 0.282369 0.671324 0.826151
+638 2 0.277836 0.676357 0.84827
+639 2 0.26493 0.691082 0.816669
+640 1 0.206757 0.525295 0.761092
+641 2 0.214378 0.551024 0.7613
+642 2 0.185827 0.523591 0.780064
+646 1 0.0697457 0.510797 0.780834
+647 2 0.0434296 0.519086 0.794225
+648 2 0.0982696 0.522396 0.791271
+649 1 0.108198 0.586316 0.915578
+650 2 0.0824016 0.581165 0.900489
+651 2 0.132817 0.567384 0.911506
+652 1 0.0894962 0.608698 0.972668
+653 2 0.100487 0.597994 0.952227
+654 2 0.0940031 0.585857 0.984627
+655 1 0.164365 0.532447 0.902547
+656 2 0.191749 0.526804 0.88888
+657 2 0.147342 0.509149 0.903694
+658 1 0.274723 0.570505 0.909919
+659 2 0.299866 0.589157 0.908104
+660 2 0.270773 0.557257 0.891207
+661 1 0.288084 0.641824 0.962009
+662 2 0.28196 0.616815 0.968693
+663 2 0.301975 0.641714 0.941287
+672 2 0.030008 0.613028 0.978552
+688 1 0.224243 0.538741 0.948249
+689 2 0.198298 0.530393 0.935148
+690 2 0.244688 0.55158 0.933873
+1454 2 0.449373 0.504366 0.720136
+772 1 0.184146 0.684194 0.722517
+773 2 0.171619 0.65956 0.724861
+774 2 0.207385 0.680531 0.705998
+775 1 0.24208 0.731077 0.749127
+776 2 0.237836 0.727126 0.770895
+777 2 0.220497 0.713761 0.740116
+784 1 0.0560898 0.649902 0.708934
+785 2 0.0233586 0.64055 0.705405
+786 2 0.0791804 0.630255 0.70473
+790 1 0.102988 0.718178 0.713404
+791 2 0.0866813 0.694636 0.711614
+792 2 0.13602 0.71093 0.716353
+793 1 0.0104764 0.728681 0.776786
+794 2 0.0252701 0.706382 0.769289
+796 1 0.124411 0.757623 0.83128
+797 2 0.0902279 0.76088 0.8254
+798 2 0.138377 0.753991 0.810462
+799 1 0.136066 0.930409 0.798786
+800 2 0.108544 0.945549 0.794776
+801 2 0.136843 0.925336 0.820916
+802 1 0.335061 0.59582 0.77239
+803 2 0.362333 0.58547 0.762267
+804 2 0.315605 0.607701 0.756527
+805 1 0.067429 0.837989 0.77128
+806 2 0.0638825 0.815939 0.758964
+807 2 0.0981485 0.837278 0.781961
+808 1 0.132477 0.611588 0.781945
+809 2 0.126521 0.637525 0.780625
+810 2 0.130311 0.60601 0.804117
+811 1 0.0334956 0.66035 0.763189
+812 2 0.0462611 0.657457 0.742006
+813 2 0.005164 0.645056 0.762981
+814 1 0.187532 0.755924 0.694655
+815 2 0.202326 0.767383 0.712596
+816 2 0.213652 0.74083 0.686926
+817 1 0.181085 0.684304 0.965381
+818 2 0.163832 0.671569 0.948684
+819 2 0.179893 0.666378 0.982409
+826 1 0.137497 0.743201 0.772661
+827 2 0.13337 0.748955 0.75074
+828 2 0.122002 0.719344 0.775379
+831 2 0.195368 0.809927 0.983708
+832 1 0.133172 0.65388 0.916525
+833 2 0.110876 0.670105 0.906132
+834 2 0.118307 0.628898 0.916094
+835 1 0.109116 0.678804 0.795427
+836 2 0.0794101 0.67094 0.78478
+837 2 0.104111 0.673192 0.817092
+2632 1 0.498547 0.552616 0.677153
+839 2 0.103985 0.520322 0.996553
+856 1 0.154693 0.810868 0.957328
+857 2 0.150878 0.815381 0.935416
+858 2 0.121334 0.810471 0.963594
+859 1 0.073918 0.82746 0.984921
+861 2 0.0676616 0.852735 0.99064
+940 1 0.0793123 0.897495 0.690511
+941 2 0.104017 0.880011 0.685446
+942 2 0.0933648 0.921945 0.690986
+623 2 0.0914365 0.570243 0.680202
+952 1 0.139975 0.852773 0.667514
+961 1 0.0287437 0.891233 0.743714
+962 2 0.0399968 0.872027 0.758084
+963 2 0.0448217 0.890285 0.723876
+964 1 0.146063 0.949457 0.861321
+965 2 0.127338 0.964296 0.87579
+966 2 0.17919 0.950154 0.868247
+967 1 0.340561 0.943127 0.855928
+968 2 0.328139 0.939802 0.877452
+969 2 0.353529 0.920652 0.848072
+970 1 0.15922 0.915473 0.736946
+971 2 0.143376 0.920136 0.756628
+972 2 0.15997 0.889162 0.736382
+979 1 0.0517291 0.776134 0.734759
+980 2 0.0363948 0.760032 0.750171
+981 2 0.0694676 0.759694 0.721431
+982 1 0.0445077 0.970002 0.814513
+983 2 0.0356898 0.995368 0.816105
+984 2 0.0214415 0.959836 0.829296
+985 1 0.124518 0.822414 0.903154
+986 2 0.106069 0.80071 0.897983
+987 2 0.137148 0.829978 0.883462
+989 2 0.0217964 0.981619 0.959865
+994 1 0.156561 0.894807 0.985619
+995 2 0.137701 0.910293 0.998627
+996 2 0.136986 0.893675 0.966734
+1000 1 0.156837 0.846549 0.849384
+1001 2 0.189618 0.849666 0.858179
+1002 2 0.162755 0.841206 0.827548
+1003 1 0.00745029 0.735768 0.894137
+1006 1 0.181854 0.755494 0.921879
+1007 2 0.15121 0.750557 0.911535
+1008 2 0.174995 0.776386 0.935373
+1010 2 0.34806 0.993176 0.971823
+1018 1 0.357427 0.971794 0.935887
+1019 2 0.373745 0.992643 0.925686
+1020 2 0.327608 0.966091 0.923825
+1117 1 0.409371 0.977181 0.66806
+1118 2 0.381216 0.964952 0.676957
+1119 2 0.415738 0.997635 0.682741
+1144 1 0.345466 0.982793 0.752694
+1145 2 0.327382 0.979457 0.771778
+1162 1 0.283742 0.946327 0.910504
+1163 2 0.260609 0.945147 0.893138
+1164 2 0.266668 0.931127 0.925521
+1168 1 0.0370912 0.93805 0.950577
+1169 2 0.0581041 0.9176 0.952269
+5033 2 0.00278869 0.822369 0.800626
+1171 1 0.0949534 0.971921 0.907818
+1173 2 0.0686915 0.959237 0.917876
+1445 2 0.405558 0.513892 0.671683
+1455 2 0.470789 0.522538 0.689389
+1494 2 0.230981 0.511127 0.977823
+1612 1 0.246827 0.661524 0.681995
+1850 2 0.378297 0.819494 0.997288
+1615 1 0.433102 0.56154 0.764241
+1616 2 0.425916 0.53566 0.767385
+1617 2 0.458595 0.568184 0.778645
+1618 1 0.404586 0.599246 0.669114
+3018 2 0.489254 0.842438 0.842144
+1621 1 0.479803 0.670911 0.705468
+1622 2 0.468916 0.64562 0.70991
+1623 2 0.487989 0.67046 0.6832
+1633 1 0.336447 0.689226 0.690338
+1634 2 0.353816 0.692952 0.710289
+1635 2 0.311239 0.672454 0.695256
+1636 1 0.401535 0.687813 0.739608
+1637 2 0.411555 0.672706 0.757212
+1638 2 0.427381 0.686034 0.724566
+1639 1 0.38279 0.542019 0.82241
+1640 2 0.3983 0.565112 0.821274
+1641 2 0.399149 0.526157 0.807583
+1645 1 0.442691 0.66264 0.791574
+1646 2 0.420919 0.666081 0.808932
+1647 2 0.4767 0.665669 0.797035
+1655 2 0.307129 0.503693 0.810978
+1657 1 0.27479 0.69715 0.882853
+1658 2 0.255152 0.715544 0.872216
+1659 2 0.268482 0.699015 0.90536
+1660 1 0.283899 0.573495 0.981353
+1661 2 0.308437 0.556655 0.974666
+1662 2 0.256119 0.564932 0.969768
+1666 1 0.322911 0.64413 0.90837
+1667 2 0.349916 0.633817 0.896492
+1668 2 0.314513 0.666354 0.897837
+1669 1 0.38371 0.730826 0.888989
+1670 2 0.410628 0.736253 0.902955
+1671 2 0.35669 0.744255 0.899238
+1672 1 0.495703 0.553108 0.993772
+1673 2 0.463916 0.553227 0.984665
+4863 2 0.10507 0.87387 0.867086
+1675 1 0.237953 0.507762 0.872289
+1677 2 0.254797 0.521142 0.85614
+1678 1 0.389168 0.589389 0.874119
+1679 2 0.376753 0.597455 0.853845
+1680 2 0.416284 0.605774 0.877773
+1697 2 0.281555 0.647704 0.998201
+1699 1 0.256211 0.719123 0.936971
+1700 2 0.242604 0.704868 0.953999
+1701 2 0.228002 0.733614 0.929994
+1704 2 0.171588 0.727523 0.984964
+1780 1 0.314178 0.832279 0.705005
+1781 2 0.285591 0.821769 0.715036
+1782 2 0.304989 0.85345 0.69421
+1798 1 0.274401 0.736348 0.672502
+1799 2 0.30196 0.722355 0.680448
+1801 1 0.157355 0.82774 0.792371
+1802 2 0.170028 0.838892 0.773592
+1803 2 0.159889 0.801415 0.788612
+1804 1 0.267155 0.856848 0.818364
+1805 2 0.264285 0.878663 0.804677
+1806 2 0.256309 0.864715 0.838982
+1807 1 0.389111 0.83007 0.73849
+1808 2 0.392836 0.804394 0.744193
+1809 2 0.359931 0.8302 0.725945
+1810 1 0.458734 0.82888 0.694544
+1811 2 0.455596 0.808658 0.678631
+1812 2 0.429097 0.828677 0.705694
+3017 2 0.487682 0.882099 0.851759
+1815 2 0.319107 0.909234 0.672378
+1819 1 0.223492 0.597886 0.763951
+1820 2 0.190163 0.602394 0.770504
+1821 2 0.240956 0.598461 0.783187
+1822 1 0.390583 0.758949 0.744761
+1823 2 0.387116 0.765464 0.723362
+1824 2 0.393912 0.7325 0.74187
+1825 1 0.464765 0.77867 0.789225
+1826 2 0.43864 0.767609 0.777804
+1827 2 0.450747 0.777537 0.809961
+1828 1 0.286453 0.811422 0.96151
+1829 2 0.28811 0.837077 0.965403
+1830 2 0.260221 0.802278 0.975188
+1832 2 0.34921 0.722903 0.994023
+1834 1 0.36523 0.612945 0.822901
+1835 2 0.355652 0.638402 0.822071
+1836 2 0.355477 0.603994 0.801758
+1837 1 0.486456 0.802295 0.934935
+1838 2 0.46057 0.783774 0.938751
+1840 1 0.353752 0.728006 0.794774
+1841 2 0.31924 0.728722 0.793832
+1842 2 0.365704 0.737246 0.77506
+1843 1 0.247085 0.604322 0.827912
+1844 2 0.2262 0.605846 0.845651
+1845 2 0.261627 0.628925 0.827837
+1846 1 0.366215 0.699129 0.960366
+1847 2 0.339773 0.695709 0.946436
+1848 2 0.377971 0.674023 0.96369
+1849 1 0.37851 0.807966 0.976729
+1851 2 0.34438 0.802049 0.973047
+1864 1 0.42335 0.754821 0.949848
+1865 2 0.40489 0.773439 0.961387
+1866 2 0.405947 0.731939 0.954365
+1951 1 0.431858 0.890588 0.750359
+1952 2 0.455829 0.876855 0.762386
+1953 2 0.410948 0.871325 0.743279
+1954 1 0.32357 0.955146 0.687959
+1955 2 0.313774 0.975963 0.675339
+1956 2 0.323567 0.96374 0.709608
+1969 1 0.249983 0.909291 0.720551
+1970 2 0.214044 0.913049 0.719002
+1971 2 0.265378 0.920001 0.703716
+1975 1 0.334012 0.849769 0.885233
+1976 2 0.352875 0.865223 0.871572
+1977 2 0.345593 0.825246 0.881252
+1978 1 0.311889 0.988571 0.811681
+1980 2 0.313209 0.97098 0.828947
+1984 1 0.243128 0.800167 0.744877
+1985 2 0.262854 0.807556 0.762208
+1986 2 0.243993 0.774214 0.748786
+1987 1 0.175106 0.8445 0.729836
+1988 2 0.166725 0.837863 0.708435
+1989 2 0.201518 0.827668 0.735455
+1990 1 0.247427 0.910013 0.781697
+1991 2 0.251433 0.915317 0.759641
+1992 2 0.213256 0.913011 0.786847
+1996 1 0.104518 0.892703 0.933638
+1997 2 0.102114 0.866539 0.932182
+1998 2 0.0999009 0.899858 0.911875
+1999 1 0.317645 0.766944 0.917074
+2000 2 0.293114 0.748224 0.922867
+2001 2 0.306944 0.788646 0.929425
+2002 1 0.230319 0.89966 0.941919
+2003 2 0.197828 0.897707 0.9508
+2004 2 0.253259 0.88734 0.955496
+2005 1 0.29885 0.881069 0.979115
+4862 2 0.111021 0.916658 0.868014
+2007 2 0.322904 0.900184 0.97855
+2008 1 0.247715 0.738384 0.80911
+2009 2 0.266862 0.760459 0.80675
+2010 2 0.233935 0.740988 0.830094
+2011 1 0.209467 0.745949 0.862679
+2012 2 0.179554 0.749604 0.850993
+2013 2 0.202612 0.753302 0.883945
+2014 1 0.244238 0.867441 0.881196
+2015 2 0.234029 0.875604 0.90158
+2016 2 0.279169 0.866243 0.882837
+1170 2 0.00657773 0.927384 0.943229
+2040 2 0.47814 0.981381 0.959602
+2179 1 0.44284 0.967825 0.866957
+2180 2 0.409414 0.962654 0.862306
+2181 2 0.441747 0.992919 0.874773
+2644 1 0.481391 0.570634 0.831183
+2645 2 0.460183 0.59094 0.834683
+2647 1 0.479347 0.507014 0.864116
+2648 2 0.481611 0.530164 0.852661
+2659 1 0.444919 0.608546 0.719979
+2660 2 0.433021 0.590784 0.735698
+2661 2 0.423749 0.607224 0.701502
+2665 1 0.463967 0.634026 0.879294
+2666 2 0.466788 0.657136 0.869383
+2667 2 0.492819 0.63133 0.892904
+2677 1 0.402646 0.631931 0.975099
+2678 2 0.401786 0.605687 0.970421
+2679 2 0.383836 0.635916 0.993539
+2680 1 0.411834 0.558129 0.962081
+2681 2 0.414385 0.549843 0.941092
+2682 2 0.379413 0.550713 0.967844
+2683 1 0.39119 0.514784 0.892867
+2684 2 0.382214 0.539483 0.886477
+2685 2 0.421253 0.510487 0.881437
+2689 1 0.489959 0.855161 0.992365
+2691 2 0.492169 0.867408 0.972612
+1453 1 0.448275 0.504052 0.697865
+2808 2 0.488551 0.762531 0.6729
+2812 1 0.434872 0.763627 0.846264
+2813 2 0.409136 0.753315 0.859056
+2814 2 0.462318 0.767981 0.860896
+5028 2 0.108479 0.751755 0.866361
+2851 1 0.389487 0.678694 0.844461
+2852 2 0.367941 0.693032 0.831099
+2853 2 0.394649 0.69297 0.86356
+2854 1 0.476891 0.669497 0.975049
+2855 2 0.445077 0.656783 0.973187
+2856 2 0.472715 0.686491 0.992157
+2956 1 0.428328 0.960046 0.759617
+2957 2 0.424917 0.933884 0.757088
+2958 2 0.395923 0.970298 0.758379
+2974 1 0.485366 0.904781 0.695285
+2975 2 0.479817 0.878284 0.692816
+2976 2 0.469649 0.910066 0.715133
+2980 1 0.489101 0.997434 0.734456
+2981 2 0.467212 0.980302 0.744506
+2983 1 0.382421 0.881553 0.842396
+2984 2 0.371187 0.88646 0.821371
+2985 2 0.415423 0.873218 0.840194
+2995 1 0.379858 0.773529 0.687866
+2996 2 0.397304 0.764575 0.669913
+2997 2 0.351519 0.786879 0.681287
+2998 1 0.34558 0.89861 0.79094
+2999 2 0.314769 0.9109 0.789218
+3000 2 0.350535 0.887154 0.771114
+3004 1 0.383345 0.920024 0.977389
+3005 2 0.394854 0.902725 0.961356
+3006 2 0.374686 0.94247 0.964826
+3007 1 0.479703 0.868117 0.911282
+3008 2 0.449416 0.874793 0.92122
+3009 2 0.484987 0.844186 0.920382
+3011 2 0.485724 0.941355 0.876908
+1172 2 0.0907058 0.997794 0.912806
+3016 1 0.473495 0.865951 0.837063
+3019 1 0.298988 0.79697 0.801778
+3020 2 0.288448 0.820165 0.811255
+3021 2 0.334301 0.795984 0.802326
+3022 1 0.394299 0.863058 0.935814
+3023 2 0.373172 0.857896 0.918093
+3024 2 0.389233 0.84247 0.949618
+3883 1 0.481971 0.935627 0.971381
+3885 2 0.451376 0.932109 0.982609
+4003 1 0.489196 0.844582 0.778683
+4004 2 0.487977 0.855845 0.799213
+4005 2 0.483125 0.818504 0.783126
+4006 1 0.494656 0.977999 0.810646
+4007 2 0.474506 0.979825 0.82867
+4008 2 0.471846 0.973417 0.79411
+5026 1 0.103093 0.751951 0.888932
+4522 1 0.038322 0.569498 0.874692
+4523 2 0.0049883 0.565153 0.881154
+4524 2 0.0422288 0.55219 0.857367
+2153 2 0.497882 0.941272 0.677415
+4640 2 0.0113293 0.543644 0.714724
+5007 2 0.0440962 0.9195 0.872471
+4648 1 0.0201879 0.534593 0.672646
+5016 2 0.00639376 0.801223 0.724104
+4666 1 0.0554084 0.636835 0.867366
+4667 2 0.045932 0.613727 0.876008
+4668 2 0.0264603 0.649005 0.860782
+4716 2 0.0194294 0.820989 0.972136
+4807 1 0.0273883 0.72822 0.666287
+4809 2 0.0514715 0.728561 0.682642
+4858 1 0.0352265 0.767318 0.820374
+4859 2 0.0231016 0.755199 0.80117
+4860 2 0.0082277 0.768464 0.83444
+4861 1 0.0908321 0.895587 0.874955
+838 1 0.0991412 0.546757 0.999396
+2634 2 0.474579 0.570178 0.669868
+4 1 0.984739 0.278411 0.0484342
+5 2 0.957833 0.29409 0.0528748
+21 2 0.98178 0.0382049 0.0333258
+151 1 1.00031 0.00785637 0.0973913
+153 2 0.988009 0.0147044 0.118408
+196 1 0.993231 0.25144 0.232566
+197 2 0.960023 0.251546 0.225338
+211 1 0.950943 0.212599 0.113319
+212 2 0.971415 0.215851 0.13146
+213 2 0.964411 0.19023 0.104805
+217 1 0.960962 0.337503 0.322426
+218 2 0.935786 0.355037 0.319404
+219 2 0.973815 0.332745 0.30167
+357 2 0.993574 0.359454 0.0778896
+379 1 0.879651 0.392893 0.10602
+380 2 0.860138 0.384372 0.123471
+381 2 0.855582 0.398044 0.0899202
+403 1 0.989289 0.33497 0.263075
+404 2 0.983749 0.36136 0.264909
+405 2 0.972584 0.32721 0.245064
+520 1 0.99215 0.409379 0.0253027
+521 2 0.984922 0.388478 0.0120628
+844 1 0.96957 0.0125146 0.153472
+845 2 0.938762 0.0255282 0.154397
+1014 2 0.974583 0.141799 0.0981482
+1039 1 0.606164 0.132203 0.321378
+1040 2 0.630415 0.113656 0.317625
+1384 1 0.545915 0.397377 0.0938101
+1385 2 0.537376 0.382092 0.0758866
+1386 2 0.526941 0.420256 0.094019
+2023 1 0.700405 0.0925504 0.1054
+2024 2 0.687601 0.110055 0.120192
+2025 2 0.724573 0.107187 0.0950161
+2026 1 0.5146 0.174832 0.011884
+2027 2 0.512374 0.147984 0.0133183
+2029 1 0.636096 0.0377804 0.108353
+2030 2 0.66273 0.0525761 0.100711
+2031 2 0.610947 0.0556984 0.110155
+2032 1 0.523525 0.0329964 0.00942631
+2034 2 0.525416 0.0176715 0.0279346
+2041 1 0.600967 0.182843 0.225574
+2042 2 0.617611 0.176039 0.206597
+2043 2 0.586502 0.159657 0.233115
+2047 1 0.530007 0.00553505 0.156799
+2048 2 0.519838 0.0184776 0.13842
+2050 1 0.596798 0.128576 0.174077
+2051 2 0.596074 0.102136 0.179558
+2052 2 0.563352 0.135812 0.177131
+2053 1 0.690899 0.139684 0.232102
+2054 2 0.712028 0.132596 0.214779
+2055 2 0.671119 0.118746 0.235941
+2058 2 0.498873 0.0263209 0.0801166
+2071 1 0.506407 0.157175 0.293502
+2073 2 0.539179 0.149813 0.296526
+2074 1 0.669298 0.0824599 0.305018
+2075 2 0.676317 0.0772685 0.327184
+2076 2 0.697564 0.0937238 0.29548
+2080 1 0.509999 0.0537145 0.270437
+2081 2 0.508858 0.0587109 0.247942
+2082 2 0.517756 0.0270943 0.273288
+2083 1 0.508256 0.0763097 0.211964
+2085 2 0.531212 0.0595926 0.203033
+2187 2 0.532392 0.259299 0.0367391
+2193 2 0.520861 0.181648 0.13753
+2194 1 0.580171 0.0951855 0.117806
+2195 2 0.545419 0.0965478 0.114438
+2196 2 0.587892 0.11017 0.135938
+2200 1 0.569079 0.233034 0.0165677
+2202 2 0.550494 0.209984 0.0152813
+2206 1 0.50482 0.28907 0.109566
+2207 2 0.507188 0.286545 0.0864684
+2208 2 0.533825 0.276503 0.118044
+2215 1 0.586909 0.298815 0.243605
+2216 2 0.58929 0.31155 0.223433
+2217 2 0.567568 0.313677 0.257048
+2221 1 0.555654 0.398835 0.236193
+2222 2 0.553134 0.41294 0.255433
+2223 2 0.527419 0.405621 0.223903
+2248 1 0.52403 0.228575 0.290438
+2249 2 0.526672 0.232882 0.268011
+2250 2 0.514288 0.202392 0.291414
+2356 1 0.583331 0.453258 0.156653
+2357 2 0.559071 0.434269 0.151255
+2358 2 0.587691 0.464366 0.136209
+2359 1 0.698774 0.49228 0.129053
+2361 2 0.668618 0.494013 0.117066
+2362 1 0.611882 0.481382 0.101507
+2363 2 0.591921 0.500248 0.0931852
+2364 2 0.621274 0.466038 0.0834322
+2369 2 0.50257 0.489347 0.0237367
+2377 1 0.643104 0.398334 0.164732
+2378 2 0.643623 0.393847 0.142239
+2379 2 0.622401 0.41984 0.16564
+2384 2 0.601656 0.494384 0.167886
+2386 1 0.71039 0.489892 0.218778
+2387 2 0.708264 0.4782 0.238654
+2388 2 0.716769 0.47002 0.20405
+2392 1 0.5085 0.325364 0.169595
+2394 2 0.508444 0.31126 0.150472
+2398 1 0.523799 0.395964 0.154536
+2399 2 0.529231 0.393156 0.132215
+2400 2 0.511986 0.372819 0.161936
+2401 1 0.550743 0.432592 0.292247
+2402 2 0.519582 0.428619 0.301653
+2403 2 0.57343 0.413755 0.300132
+2410 1 0.59731 0.372904 0.320869
+2411 2 0.574261 0.358477 0.308588
+2185 1 0.503665 0.271284 0.0463819
+2501 2 0.516725 0.397382 0.013395
+2503 1 0.546152 0.363132 0.0362481
+2504 2 0.538069 0.338348 0.0302389
+2505 2 0.578312 0.365803 0.0258037
+2509 1 0.650724 0.438829 0.0607281
+2510 2 0.637777 0.447788 0.0408289
+2511 2 0.685099 0.437519 0.0559862
+2560 1 0.592634 0.491379 0.265578
+2562 2 0.576705 0.473183 0.279307
+2566 1 0.52221 0.488231 0.221916
+2567 2 0.553894 0.48695 0.232055
+2869 1 0.556042 0.00850798 0.0898092
+2871 2 0.587491 0.0134642 0.098222
+2884 1 0.620303 0.0130036 0.226756
+2890 1 0.626161 0.00916984 0.299587
+2891 2 0.634818 0.0351732 0.30014
+2892 2 0.618418 0.00397429 0.321787
+2893 1 0.568112 0.121732 0.245411
+2894 2 0.596606 0.105137 0.244358
+2895 2 0.541245 0.107073 0.240844
+2902 1 0.531139 0.00347189 0.216387
+2903 2 0.525926 0.000630534 0.194089
+2914 1 0.737795 0.0132358 0.265427
+2915 2 0.749503 0.0248053 0.284042
+3025 1 0.58832 0.0807552 0.0479601
+3026 2 0.590703 0.0838922 0.0702014
+3027 2 0.554668 0.0787504 0.0438677
+3028 1 0.592398 0.183694 0.117428
+3029 2 0.615438 0.169502 0.130003
+3030 2 0.588009 0.169613 0.0986579
+3031 1 0.751784 0.0172736 0.0521573
+3032 2 0.71683 0.0196473 0.0526514
+3033 2 0.760577 0.0210498 0.0307291
+3034 1 0.656649 0.123263 0.014432
+3035 2 0.630772 0.108145 0.0232064
+3036 2 0.665765 0.141812 0.0300376
+3037 1 0.569977 0.250967 0.137399
+3038 2 0.598666 0.261327 0.147851
+3039 2 0.580089 0.227896 0.128229
+3040 1 0.870863 0.0911171 0.0580873
+3041 2 0.849938 0.0771997 0.0716594
+3042 2 0.885841 0.0739863 0.0446859
+3046 1 0.505613 0.103277 0.0130752
+3048 2 0.52161 0.0794892 0.00898065
+3049 1 0.787286 0.0373165 0.144372
+3050 2 0.756632 0.0418252 0.154391
+3051 2 0.795169 0.0133134 0.151401
+3052 1 0.724459 0.206701 0.233556
+3053 2 0.700853 0.225231 0.2382
+3054 2 0.710685 0.183279 0.240256
+3055 1 0.84887 0.0734012 0.270785
+3056 2 0.833084 0.0970957 0.269911
+3057 2 0.867958 0.0729978 0.289846
+3058 1 0.840135 0.110802 0.19929
+3059 2 0.874951 0.109281 0.196658
+3060 2 0.836002 0.125416 0.217698
+3061 1 0.83412 0.152697 0.244416
+3062 2 0.867273 0.14998 0.250638
+3063 2 0.819788 0.173533 0.254873
+3067 1 0.58632 0.0618602 0.183149
+3068 2 0.582029 0.0485249 0.163169
+3069 2 0.604009 0.0436523 0.196104
+3070 1 0.644519 0.0776321 0.24641
+3071 2 0.653708 0.0737988 0.267802
+3072 2 0.63636 0.0542707 0.237012
+3073 1 0.744808 0.114713 0.284369
+3074 2 0.765977 0.133468 0.292684
+3075 2 0.728858 0.128422 0.267754
+3088 1 0.76797 0.0563548 0.317877
+3089 2 0.76256 0.0804688 0.308466
+3094 1 0.555968 0.0647999 0.324483
+3095 2 0.540729 0.0584473 0.304458
+3096 2 0.5658 0.0900956 0.32232
+3193 1 0.688014 0.169228 0.0596829
+3194 2 0.712408 0.161623 0.07404
+3195 2 0.675012 0.193486 0.0664153
+3196 1 0.596146 0.33733 0.192583
+3197 2 0.564352 0.332989 0.183408
+3198 2 0.606069 0.361509 0.187891
+3199 1 0.731573 0.297837 0.169186
+3200 2 0.746618 0.273437 0.172651
+3201 2 0.730955 0.30983 0.189417
+3202 1 0.839756 0.304276 0.106643
+3203 2 0.841641 0.325254 0.120695
+3204 2 0.827257 0.312641 0.0871068
+3205 1 0.666257 0.279087 0.102146
+3206 2 0.647769 0.281875 0.121409
+3207 2 0.699835 0.277357 0.108091
+3208 1 0.794892 0.198693 0.000800101
+3209 2 0.800818 0.180959 0.017692
+3213 2 0.684191 0.238087 0.000564669
+3214 1 0.640537 0.289681 0.159015
+3215 2 0.674516 0.284243 0.162789
+3216 2 0.63388 0.308751 0.174309
+3217 1 0.804 0.217621 0.263675
+3218 2 0.793687 0.233399 0.280379
+3219 2 0.77527 0.21709 0.250716
+3220 1 0.662808 0.437829 0.262991
+3221 2 0.638716 0.45695 0.258427
+3222 2 0.669842 0.442974 0.284566
+3223 1 0.759956 0.232879 0.177562
+3224 2 0.78549 0.215796 0.172814
+3225 2 0.742289 0.222513 0.195181
+3226 1 0.88867 0.207632 0.289806
+3227 2 0.886272 0.186416 0.3034
+3228 2 0.856461 0.210807 0.280101
+3229 1 0.82614 0.341609 0.207111
+3230 2 0.837592 0.31799 0.212928
+3231 2 0.80905 0.349994 0.225727
+3232 1 0.675888 0.13941 0.147598
+3233 2 0.702662 0.13403 0.161878
+3234 2 0.646137 0.131862 0.159282
+3235 1 0.544843 0.239225 0.231371
+3236 2 0.562504 0.261996 0.234383
+3237 2 0.567823 0.219995 0.225525
+3238 1 0.637377 0.185286 0.286928
+3239 2 0.622635 0.165076 0.298517
+3240 2 0.622583 0.185058 0.266322
+3241 1 0.673892 0.263218 0.252039
+3242 2 0.69272 0.284879 0.249264
+3243 2 0.640525 0.271601 0.252317
+3262 1 0.610095 0.245634 0.314813
+3263 2 0.578525 0.246422 0.305553
+3264 2 0.626998 0.227029 0.301539
+3340 1 0.623985 0.356628 0.00646386
+3341 2 0.644514 0.378523 0.00395696
+3342 2 0.648266 0.337614 0.0032869
+3361 1 0.848666 0.448384 0.0537682
+3362 2 0.813603 0.447717 0.0537466
+3363 2 0.856191 0.470109 0.0661259
+3367 1 0.736025 0.354589 0.123304
+3368 2 0.735015 0.335074 0.139566
+3369 2 0.702269 0.35978 0.118666
+3370 1 0.779233 0.413734 0.0962572
+3371 2 0.759647 0.393978 0.104711
+3372 2 0.764986 0.41884 0.0753303
+3373 1 0.790639 0.481582 0.121965
+3374 2 0.786465 0.455963 0.115041
+3375 2 0.757412 0.490418 0.12184
+3379 1 0.644057 0.232924 0.0592348
+3380 2 0.613583 0.234192 0.0482682
+3381 2 0.649993 0.256146 0.0699213
+3382 1 0.704519 0.315617 0.051813
+3383 2 0.687109 0.303219 0.0345544
+3384 2 0.688616 0.309394 0.0707585
+3385 1 0.722499 0.437273 0.176467
+3386 2 0.717838 0.453263 0.158559
+3387 2 0.696931 0.420138 0.173051
+3391 1 0.806024 0.371288 0.263184
+3392 2 0.816179 0.353132 0.27804
+3393 2 0.786274 0.387692 0.275737
+3394 1 0.824632 0.369609 0.14995
+3395 2 0.79147 0.3695 0.141555
+3396 2 0.821346 0.35798 0.17024
+3397 1 0.678608 0.472019 0.317198
+3398 2 0.656488 0.482115 0.332444
+3399 2 0.697588 0.491045 0.306025
+3400 1 0.872391 0.241259 0.0838253
+3401 2 0.863126 0.264524 0.0932857
+3402 2 0.896949 0.228334 0.096221
+3403 1 0.63414 0.386705 0.105393
+3404 2 0.599395 0.383197 0.10323
+3405 2 0.637966 0.406589 0.0904329
+3406 1 0.710423 0.333305 0.223315
+3407 2 0.738387 0.347448 0.229049
+3408 2 0.681635 0.347918 0.229394
+3418 1 0.839684 0.441701 0.317699
+3419 2 0.813436 0.424071 0.314584
+3420 2 0.839696 0.459523 0.301031
+3424 1 0.514842 0.340058 0.292546
+4099 1 0.844454 0.00130775 0.286952
+3427 1 0.645306 0.375277 0.238584
+3428 2 0.657476 0.398764 0.247044
+3429 2 0.610394 0.377639 0.2352
+3508 1 0.740311 0.437443 0.0360906
+3509 2 0.728225 0.423566 0.0183692
+3510 2 0.744698 0.46231 0.0293368
+3535 1 0.816426 0.431608 0.179874
+3536 2 0.82689 0.410857 0.167223
+3537 2 0.782063 0.432266 0.174208
+3548 2 0.605986 0.485377 0.0121366
+3564 2 0.822029 0.484388 0.182804
+3865 1 0.656606 0.023559 0.0414619
+3866 2 0.633153 0.0433742 0.0400651
+3867 2 0.642977 0.00570484 0.0554279
+3869 2 0.636426 0.00777435 0.134749
+3892 1 0.707314 0.0380834 0.179886
+3893 2 0.683513 0.0212228 0.172504
+3894 2 0.71847 0.0286362 0.199975
+3901 1 0.893611 0.025199 0.232805
+3902 2 0.891222 0.0135794 0.253434
+3903 2 0.875395 0.045552 0.239756
+4033 1 0.830066 0.256348 0.0269076
+4034 2 0.818723 0.232217 0.019725
+4035 2 0.85078 0.251226 0.044974
+4036 1 0.802961 0.0583894 0.089125
+4037 2 0.792025 0.0518532 0.109597
+4038 2 0.782248 0.0468029 0.0744548
+4039 1 0.91638 0.133717 0.0937099
+4040 2 0.891162 0.151027 0.098393
+4041 2 0.902951 0.113705 0.0818223
+2224 1 0.504929 0.12409 0.168013
+2886 2 0.586084 0.00544028 0.226863
+4044 2 0.924183 -0.00172628 0.0308549
+4048 1 0.817526 0.143526 0.0330413
+4049 2 0.796478 0.143503 0.0510292
+4050 2 0.842049 0.125475 0.0389795
+4057 1 0.869477 0.00541521 0.113003
+4058 2 0.882183 0.0213654 0.129332
+4059 2 0.835568 0.00422509 0.115699
+4060 1 0.847631 0.173722 0.10813
+4061 2 0.845484 0.198622 0.101185
+4062 2 0.842849 0.174453 0.130468
+4063 1 0.940459 0.114344 0.199673
+4064 2 0.967126 0.0968284 0.197496
+4065 2 0.952695 0.137404 0.191735
+4066 1 0.890083 0.0397661 0.171085
+4067 2 0.897606 0.042295 0.193022
+4068 2 0.860223 0.0527027 0.167936
+4069 1 0.824799 0.177835 0.170907
+4070 2 0.847752 0.194044 0.180432
+4071 2 0.823867 0.156075 0.184119
+4075 1 0.786488 0.031462 0.22068
+4076 2 0.805814 0.0506029 0.228249
+4077 2 0.765001 0.0247919 0.238176
+4081 1 0.926427 0.148651 0.255934
+4082 2 0.93212 0.1356 0.23628
+4083 2 0.956309 0.150363 0.266663
+4090 1 0.886912 0.0807506 0.327759
+5021 2 0.858902 0.00030063 0.0623445
+4100 2 0.827514 0.0246331 0.285677
+4194 2 0.814968 0.104713 0.00381789
+4204 1 0.883082 0.316708 0.0310544
+4205 2 0.848861 0.320937 0.0271784
+4206 2 0.891763 0.295722 0.0179052
+4213 1 0.930476 0.179596 0.0300548
+4214 2 0.962328 0.187664 0.0370155
+4215 2 0.91268 0.182509 0.0490328
+4216 1 0.957979 0.108586 0.0113293
+4217 2 0.977028 0.0936055 0.0252861
+4218 2 0.953437 0.132334 0.0221676
+4222 1 0.773704 0.129231 0.0859079
+4223 2 0.783178 0.104181 0.0887566
+4224 2 0.798522 0.143344 0.0952819
+4225 1 0.898176 0.2152 0.216447
+4226 2 0.892623 0.204549 0.236315
+4227 2 0.887074 0.240531 0.218766
+4228 1 0.878029 0.281609 0.23381
+4229 2 0.883955 0.280273 0.255153
+4230 2 0.898974 0.300764 0.224892
+4237 1 0.978697 0.235992 0.288967
+4238 2 0.945382 0.227064 0.286052
+4239 2 0.988928 0.242873 0.26744
+4240 1 0.965027 0.180034 0.184469
+4241 2 0.980364 0.199183 0.172566
+4242 2 0.940664 0.194394 0.196233
+4243 1 0.737724 0.108702 0.184609
+4244 2 0.725416 0.0837754 0.183888
+4245 2 0.771425 0.106624 0.180021
+4249 1 0.712552 0.209852 0.316795
+4250 2 0.732576 0.229146 0.309154
+4251 2 0.69012 0.204185 0.299309
+4252 1 0.810399 0.333191 0.316536
+3547 1 0.628524 0.466455 0.00616232
+4257 2 0.989925 0.24942 0.325216
+4258 1 0.787941 0.262987 0.307037
+4259 2 0.792324 0.289778 0.30933
+4260 2 0.802802 0.251201 0.324989
+4267 1 0.791134 0.164472 0.317526
+4268 2 0.768078 0.183893 0.321718
+2192 2 0.522631 0.221255 0.145696
+4580 2 0.84186 0.494929 0.105326
+4350 2 0.955633 0.256552 0.0135965
+4375 1 0.839154 0.399915 0.00620336
+4376 2 0.825089 0.379564 0.0172357
+4377 2 0.850202 0.41757 0.0213762
+4385 2 0.925844 0.345928 0.00783076
+4387 1 0.792532 0.337648 0.0250699
+4388 2 0.785064 0.324745 0.0060131
+4389 2 0.761533 0.335811 0.0360519
+4390 1 0.938238 0.348583 0.0694928
+4391 2 0.917703 0.36419 0.0824733
+4392 2 0.914231 0.338249 0.0560838
+4393 1 0.993886 0.335271 0.159017
+4394 2 0.989431 0.319537 0.141459
+4396 1 0.91311 0.427749 0.188012
+4397 2 0.926713 0.439255 0.16938
+4398 2 0.878355 0.427416 0.185827
+4399 1 0.958031 0.401071 0.270027
+4400 2 0.927365 0.408031 0.260397
+4401 2 0.959299 0.413437 0.289992
+4404 2 0.982456 0.478529 0.143926
+4408 1 0.937833 0.336544 0.209609
+4409 2 0.954349 0.33801 0.18951
+4410 2 0.911156 0.352521 0.206374
+4411 1 0.992994 0.285885 0.113281
+4607 2 0.901754 0.424307 0.324949
+4413 2 0.991701 0.286751 0.0906866
+4414 1 0.876967 0.421267 0.248559
+4415 2 0.882492 0.421946 0.225919
+4416 2 0.848182 0.407449 0.251583
+4417 1 0.7629 0.399901 0.316584
+4419 2 0.729884 0.39177 0.312214
+4435 1 0.681077 0.361073 0.315421
+4436 2 0.674375 0.349854 0.295199
+4437 2 0.648704 0.368373 0.321114
+4576 1 0.925599 0.459659 0.128265
+4577 2 0.914481 0.437006 0.118565
+4578 2 0.909232 0.479154 0.116896
+522 2 1.00701 0.399021 0.0437725
+4584 2 0.941 0.487602 0.20811
+4600 1 0.991601 0.493121 0.308074
+4547 2 0.995887 0.452829 0.0177598
+4602 2 0.966313 0.492876 0.323517
+4603 1 0.838359 0.485061 0.262112
+4604 2 0.858316 0.464531 0.254163
+4605 2 0.81211 0.48905 0.248249
+4606 1 0.935666 0.418296 0.328142
+3212 2 0.691752 0.204726 0.0238081
+4932 2 0.941198 0.043979 0.328512
+4091 2 0.889549 0.107008 0.331571
+3260 2 0.51311 0.232874 0.330276
+4079 2 0.98549 0.0526356 0.175938
+4253 2 0.787026 0.347552 0.327482
+19 1 0.997936 0.0577677 0.0451126
+2084 2 0.50451 0.0951211 0.194872
+4412 2 0.989339 0.259756 0.117646
+2502 2 0.50149 0.436557 -0.000866568
+3211 1 0.693688 0.21211 0.00249409
+52 1 0.908668 0.204434 0.38875
+53 2 0.920652 0.182779 0.399718
+54 2 0.931927 0.223367 0.395758
+94 1 0.981292 0.0752178 0.528875
+95 2 0.958473 0.0602129 0.540421
+96 2 0.974883 0.069484 0.506674
+113 2 0.987615 0.210384 0.571308
+114 2 0.969389 0.175887 0.552557
+140 2 0.955194 0.0985271 0.589096
+224 2 0.996529 0.15028 0.378628
+241 1 0.969142 0.249191 0.420131
+243 2 0.958661 0.250814 0.441584
+244 1 0.904206 0.262702 0.541807
+245 2 0.878052 0.264462 0.526096
+246 2 0.893443 0.248371 0.55976
+259 1 0.923263 0.194832 0.493327
+260 2 0.889407 0.196728 0.489273
+261 2 0.924911 0.175428 0.508785
+269 2 0.995844 0.376775 0.63818
+277 1 0.940896 0.296739 0.633557
+278 2 0.965092 0.316379 0.630408
+279 2 0.942305 0.289381 0.656321
+2932 1 0.505281 0.00234318 0.364796
+4974 2 0.744008 0.0887522 0.602136
+4973 2 0.700603 0.0644073 0.588708
+286 1 0.966927 0.235741 0.606214
+287 2 0.969146 0.218815 0.624213
+288 2 0.967966 0.259202 0.616561
+307 1 0.945225 0.195414 0.654172
+308 2 0.964283 0.175792 0.645612
+2295 2 0.508844 0.41639 0.633698
+428 2 0.980236 0.348951 0.505191
+429 2 0.976924 0.371658 0.47577
+4972 1 0.736314 0.0642584 0.594793
+451 1 0.930529 0.329256 0.531374
+452 2 0.916863 0.304354 0.536202
+453 2 0.925271 0.344191 0.550171
+1041 2 0.59893 0.133618 0.344208
+1068 2 0.524059 0.104967 0.376882
+112 1 0.998557 0.188201 0.56096
+1400 2 0.522755 0.351023 0.462958
+1401 2 0.506926 0.378743 0.435585
+2077 1 0.615342 0.0941752 0.436777
+2078 2 0.584631 0.0815432 0.440682
+2079 2 0.608733 0.119487 0.44191
+2086 1 0.579705 0.161523 0.453827
+2087 2 0.544578 0.159344 0.450094
+2088 2 0.586637 0.186271 0.447179
+4931 2 0.991913 0.0421109 0.345801
+5001 2 0.96402 0.0522237 0.65195
+2095 1 0.58232 0.0434114 0.616502
+2096 2 0.569923 0.0389032 0.637158
+2097 2 0.551699 0.0471299 0.604915
+2098 1 0.695639 0.196144 0.499283
+2099 2 0.726609 0.198504 0.488041
+2100 2 0.702557 0.178544 0.515407
+2101 1 0.670017 0.110186 0.507995
+2102 2 0.680554 0.127149 0.523975
+2103 2 0.63645 0.106423 0.513853
+2107 1 0.529 0.0679823 0.439927
+2108 2 0.518773 0.0790858 0.420964
+2109 2 0.504653 0.0756442 0.454994
+2122 1 0.643692 0.0673195 0.576533
+2123 2 0.62782 0.071086 0.556848
+2124 2 0.618015 0.0636318 0.592402
+2125 1 0.547979 0.226696 0.667166
+3642 2 0.630811 0.497466 0.598424
+2130 2 0.60017 0.00393566 0.599415
+2134 1 0.514935 0.02849 0.52966
+2135 2 0.511497 0.0346553 0.550581
+2136 2 0.530421 0.00460004 0.53024
+2239 1 0.536919 0.234579 0.521209
+2240 2 0.547673 0.209993 0.519283
+2241 2 0.551897 0.247863 0.504111
+2243 2 0.518108 0.240489 0.445285
+2245 1 0.584163 0.361902 0.380337
+2246 2 0.588244 0.33846 0.390439
+2247 2 0.56537 0.376717 0.394461
+2263 1 0.505483 0.0575005 0.590183
+2266 1 0.587062 0.257426 0.573161
+2267 2 0.566684 0.251256 0.555138
+2268 2 0.564104 0.259552 0.590618
+2269 1 0.562983 0.338712 0.509309
+2270 2 0.535915 0.338509 0.523759
+2271 2 0.58892 0.351849 0.519224
+2287 1 0.525567 0.264626 0.620025
+2288 2 0.516051 0.29028 0.623955
+2289 2 0.534646 0.251134 0.639369
+2293 1 0.508332 0.396676 0.618426
+2294 2 0.536633 0.400459 0.60423
+2296 1 0.631985 0.26745 0.652616
+2297 2 0.657238 0.265981 0.637162
+2298 2 0.60583 0.256791 0.639257
+2404 1 0.518552 0.405298 0.408549
+2406 2 0.528498 0.427434 0.419681
+2407 1 0.634846 0.284361 0.364923
+2408 2 0.623079 0.269641 0.347024
+2409 2 0.645243 0.266237 0.38082
+2412 2 0.589663 0.366862 0.342683
+2413 1 0.606818 0.481671 0.358232
+2414 2 0.607723 0.464498 0.375977
+2415 2 0.573261 0.482743 0.351749
+2431 1 0.576422 0.419009 0.493648
+2432 2 0.546471 0.42654 0.503437
+2433 2 0.595469 0.408898 0.510683
+2434 1 0.558788 0.455442 0.439811
+2435 2 0.54687 0.477876 0.449114
+2436 2 0.566547 0.441694 0.458921
+2455 1 0.66418 0.42535 0.638377
+2456 2 0.668376 0.450399 0.631421
+2457 2 0.638811 0.416932 0.624254
+2463 2 0.509751 0.465854 0.661506
+4971 2 0.909273 -0.00198182 0.456332
+2468 2 0.522289 0.187103 0.596601
+2469 2 0.50544 0.225738 0.606319
+2656 1 0.55314 0.496279 0.665558
+2905 1 0.601544 0.00989521 0.354973
+2907 2 0.585231 0.0321509 0.346627
+2917 1 0.573631 0.000608993 0.427393
+2918 2 0.560772 0.024826 0.43257
+4959 2 0.892263 0.0164032 0.413187
+4970 2 0.906747 0.000174525 0.491813
+3076 1 0.566877 0.197373 0.38209
+3077 2 0.56562 0.211466 0.401218
+3078 2 0.54451 0.208836 0.366515
+3079 1 0.68632 0.059867 0.362828
+3080 2 0.709116 0.0409244 0.362099
+3081 2 0.67389 0.0567427 0.384197
+3082 1 0.836605 0.233564 0.427847
+3083 2 0.819511 0.252444 0.415134
+3084 2 0.86068 0.222152 0.414952
+3085 1 0.740728 0.106764 0.462932
+3086 2 0.741107 0.0803541 0.457988
+3087 2 0.712394 0.10794 0.475589
+3090 2 0.784304 0.0583808 0.337458
+3097 1 0.834876 0.0716854 0.523976
+3098 2 0.800399 0.0772353 0.527939
+3099 2 0.839488 0.0454562 0.521369
+3103 1 0.702185 0.154816 0.550664
+3104 2 0.680433 0.168888 0.564277
+3105 2 0.723211 0.144489 0.56634
+3106 1 0.885068 0.116272 0.474727
+3107 2 0.852217 0.125224 0.478168
+3108 2 0.890249 0.102877 0.493384
+3109 1 0.897042 0.113945 0.592895
+3110 2 0.886995 0.127641 0.611407
+3111 2 0.876974 0.0922581 0.593951
+3112 1 0.744565 0.00514319 0.379913
+3119 2 0.678319 0.0120217 0.52749
+3121 1 0.628911 0.197313 0.567846
+3122 2 0.61485 0.191593 0.547582
+3123 2 0.615558 0.220879 0.574022
+3124 1 0.569432 0.162969 0.613165
+3125 2 0.597773 0.162638 0.599969
+3126 2 0.582985 0.158397 0.634491
+3133 1 0.852744 0.0529934 0.60275
+3134 2 0.853971 0.0542831 0.62636
+3135 2 0.819916 0.0456278 0.597281
+3142 1 0.755925 0.136158 0.603725
+3143 2 0.783219 0.141878 0.617195
+3144 2 0.727003 0.139925 0.617339
+3244 1 0.583779 0.231869 0.434712
+3245 2 0.616537 0.236014 0.426537
+3246 2 0.580653 0.250908 0.450354
+3247 1 0.716622 0.321205 0.359964
+3248 2 0.689116 0.303561 0.359189
+3249 2 0.705106 0.338345 0.344158
+3250 1 0.760883 0.20157 0.371144
+3251 2 0.755281 0.181274 0.38517
+3252 2 0.731003 0.203746 0.358824
+3253 1 0.787229 0.428406 0.454044
+3254 2 0.774637 0.44974 0.442284
+3255 2 0.819154 0.435402 0.459802
+3256 1 0.663386 0.192667 0.366798
+3257 2 0.629225 0.192725 0.37196
+3258 2 0.667646 0.197255 0.344501
+3265 1 0.767371 0.361883 0.441357
+3266 2 0.736014 0.362338 0.430989
+3267 2 0.774462 0.387276 0.446344
+3268 1 0.666553 0.285796 0.557891
+3269 2 0.664539 0.285348 0.535002
+3270 2 0.638263 0.271467 0.565085
+3271 1 0.681277 0.268365 0.496273
+3272 2 0.700188 0.272163 0.477784
+3273 2 0.687723 0.242608 0.500664
+3274 1 0.763517 0.24896 0.541378
+3275 2 0.735021 0.259768 0.53247
+3276 2 0.790966 0.252263 0.527219
+3277 1 0.779173 0.291442 0.401329
+3278 2 0.755415 0.297544 0.38465
+3279 2 0.791551 0.314259 0.408018
+3280 1 0.666523 0.241632 0.410252
+3281 2 0.694766 0.243341 0.424034
+3282 2 0.670301 0.21907 0.397857
+3283 1 0.578317 0.127508 0.376433
+3284 2 0.597992 0.116517 0.392789
+3285 2 0.56822 0.152232 0.382494
+3286 1 0.605983 0.185241 0.508154
+3287 2 0.640617 0.189309 0.503848
+3288 2 0.59584 0.168953 0.490847
+3289 1 0.700521 0.26385 0.612276
+3290 2 0.689109 0.27277 0.591674
+3291 2 0.722122 0.244109 0.605868
+3298 1 0.778299 0.272837 0.646319
+3299 2 0.80653 0.279297 0.632956
+3300 2 0.753023 0.265632 0.632826
+3304 1 0.68514 0.146209 0.639387
+3305 2 0.652297 0.144362 0.648525
+3306 2 0.701986 0.16242 0.653684
+3307 1 0.579215 0.0839105 0.529692
+3308 2 0.553954 0.102191 0.526187
+3309 2 0.564037 0.0611679 0.523317
+3409 1 0.822591 0.471711 0.372653
+3410 2 0.831415 0.464184 0.351601
+3411 2 0.793297 0.457164 0.376806
+3414 2 0.663074 0.480399 0.399056
+3415 1 0.756866 0.490567 0.42995
+4958 2 0.87116 0.0484886 0.431173
+3423 2 0.916426 0.487521 0.363548
+3430 1 0.685287 0.37656 0.407635
+3431 2 0.660538 0.374745 0.423346
+3432 2 0.672183 0.362109 0.390362
+3433 1 0.637601 0.388639 0.532482
+3434 2 0.660998 0.398725 0.517837
+3435 2 0.654745 0.374299 0.547909
+3436 1 0.64811 0.478542 0.539111
+3437 2 0.664541 0.464631 0.523346
+3438 2 0.625919 0.494515 0.52745
+3439 1 0.647781 0.357758 0.599584
+3440 2 0.637259 0.345502 0.619254
+3441 2 0.680105 0.348652 0.594935
+3442 1 0.682162 0.343696 0.482919
+3443 2 0.713854 0.353754 0.478332
+3444 2 0.687819 0.319489 0.490239
+3445 1 0.900925 0.487603 0.582109
+3446 2 0.871988 0.49573 0.570367
+3448 1 0.619339 0.376032 0.448498
+3449 2 0.600178 0.389399 0.463127
+3450 2 0.640189 0.362852 0.461881
+3451 1 0.588818 0.27784 0.48134
+3452 2 0.622009 0.275889 0.48818
+3453 2 0.575944 0.301091 0.487244
+3454 1 0.632198 0.440687 0.402272
+3455 2 0.641119 0.415549 0.397794
+3456 2 0.610794 0.43994 0.420142
+3457 1 0.609815 0.335777 0.652254
+3458 2 0.620481 0.310303 0.655673
+3459 2 0.57564 0.335722 0.646659
+3463 1 0.736953 0.376809 0.654666
+3465 2 0.713156 0.393759 0.646399
+3467 2 0.747919 0.495626 0.534961
+3472 1 0.518267 0.331369 0.640207
+3474 2 0.514283 0.355972 0.630579
+3475 1 0.589627 0.409953 0.59306
+3476 2 0.611627 0.389093 0.596837
+3477 2 0.597983 0.417938 0.572084
+3619 1 0.69492 0.43377 0.501754
+3620 2 0.724877 0.436311 0.512629
+3621 2 0.704163 0.435212 0.480039
+3640 1 0.655451 0.478696 0.599026
+3641 2 0.658847 0.471009 0.577694
+249 2 0.983634 0.278528 0.539907
+3925 1 0.738928 0.143389 0.405374
+3926 2 0.706754 0.139939 0.397082
+3927 2 0.738615 0.132231 0.426099
+3940 1 0.714415 0.0195405 0.638918
+3941 2 0.724145 0.0381284 0.623266
+3949 1 0.653251 0.034693 0.421024
+3950 2 0.62758 0.0168905 0.422279
+3951 2 0.637869 0.0574116 0.428331
+3964 1 0.507773 0.113736 0.629812
+3965 2 0.526561 0.135331 0.624592
+3966 2 0.514481 0.0962007 0.61338
+4084 1 0.978955 0.0573099 0.466273
+4086 2 0.96161 0.0341062 0.466859
+4087 1 0.886007 0.100681 0.414362
+4088 2 0.914426 0.112202 0.40674
+4089 2 0.882572 0.108558 0.436153
+4957 1 0.86636 0.0222986 0.428177
+4092 2 0.870324 0.0707782 0.345526
+4093 1 0.954244 0.157427 0.430903
+4094 2 0.939126 0.151248 0.450924
+4095 2 0.980555 0.174153 0.436539
+4102 1 0.823339 0.131151 0.376706
+4103 2 0.794787 0.135026 0.389497
+4104 2 0.842681 0.113294 0.387901
+4105 1 0.862037 0.224178 0.653646
+4106 2 0.896275 0.218178 0.654791
+4107 2 0.859807 0.248302 0.643534
+4108 1 0.822715 0.15481 0.642016
+4109 2 0.843968 0.14044 0.655488
+4110 2 0.837801 0.178488 0.643685
+4111 1 0.913314 0.16197 0.550534
+4112 2 0.904386 0.141144 0.563988
+4113 2 0.895062 0.181483 0.560218
+4114 1 0.979973 0.097819 0.402845
+4115 2 0.965389 0.0780549 0.414676
+4116 2 0.973045 0.119587 0.415967
+4117 1 0.918422 0.0293295 0.558065
+4118 2 0.897478 0.0133414 0.545041
+4119 2 0.894077 0.0386358 0.572097
+4126 1 0.868973 0.214873 0.582257
+4127 2 0.892782 0.215641 0.598535
+4128 2 0.840591 0.227254 0.590433
+4129 1 0.852461 0.0542627 0.662038
+3113 2 0.732474 0.00720934 0.401943
+4144 1 0.799751 0.143076 0.495888
+4145 2 0.803486 0.133219 0.515861
+4146 2 0.775643 0.127169 0.48511
+4147 1 0.7402 0.0711189 0.533455
+4148 2 0.740608 0.0706822 0.556876
+4149 2 0.708202 0.0768397 0.527199
+4150 1 0.959114 0.0104775 0.617151
+4151 2 0.951328 0.0140086 0.595171
+4246 1 0.896581 0.149001 0.341179
+4247 2 0.91909 0.168072 0.346753
+4248 2 0.868908 0.152767 0.354744
+4254 2 0.832868 0.3241 0.33204
+4255 1 1.00139 0.252828 0.346984
+4256 2 1.00206 0.228917 0.356423
+4261 1 0.914972 0.322248 0.445713
+4262 2 0.927436 0.301522 0.4574
+4263 2 0.927757 0.319718 0.42482
+4269 2 0.803737 0.155169 0.337105
+4270 1 0.863682 0.30711 0.359667
+4271 2 0.890909 0.305805 0.373024
+4272 2 0.850045 0.282599 0.361794
+4273 1 0.83547 0.238936 0.36139
+4274 2 0.807188 0.225375 0.369783
+4275 2 0.86254 0.223995 0.368126
+4276 1 0.726918 0.336791 0.570867
+4277 2 0.747695 0.341698 0.552504
+4278 2 0.707962 0.31535 0.563107
+4279 1 0.947131 0.265183 0.477697
+4280 2 0.957889 0.271794 0.498504
+4281 2 0.9346 0.240862 0.482384
+4282 1 0.737239 0.262023 0.448314
+4283 2 0.7575 0.241009 0.450902
+4284 2 0.751287 0.27585 0.430724
+4285 1 0.777275 0.348924 0.517708
+4286 2 0.774014 0.373149 0.510184
+4287 2 0.802212 0.337599 0.504988
+4288 1 0.780765 0.206245 0.476526
+4289 2 0.803033 0.207586 0.458096
+4290 2 0.790682 0.18262 0.48699
+4291 1 0.828994 0.0400164 0.374864
+4292 2 0.800953 0.0253708 0.379589
+4293 2 0.841585 0.0423397 0.396239
+4294 1 0.834397 0.25769 0.501573
+4295 2 0.814609 0.239037 0.491201
+4296 2 0.835161 0.279029 0.487225
+4297 1 0.846318 0.410631 0.653217
+4298 2 0.863114 0.433241 0.647224
+4299 2 0.842547 0.395412 0.635018
+139 1 0.989771 0.094566 0.592254
+4306 1 0.798741 0.359091 0.609813
+4307 2 0.782897 0.366012 0.629772
+4308 2 0.773943 0.348727 0.596543
+4309 1 0.890561 0.366797 0.578165
+4310 2 0.90495 0.388407 0.588326
+4311 2 0.859938 0.362336 0.588725
+4312 1 0.854384 0.285843 0.620177
+4313 2 0.88974 0.288493 0.623185
+4314 2 0.846425 0.30449 0.604903
+4315 1 0.765633 0.21166 0.592441
+4316 2 0.767419 0.223049 0.571962
+4317 2 0.766414 0.185381 0.589897
+4949 2 0.729214 0.0189976 0.465666
+5000 2 0.987704 0.0798421 0.629523
+4418 2 0.76016 0.405483 0.338168
+4432 1 0.94552 0.303185 0.385351
+4433 2 0.959274 0.301794 0.365209
+4434 2 0.957968 0.282704 0.397448
+4438 1 0.851473 0.372492 0.390115
+4439 2 0.864834 0.396558 0.386947
+4440 2 0.868924 0.355511 0.376844
+4441 1 0.945419 0.443838 0.382863
+4442 2 0.981369 0.442905 0.38223
+4443 2 0.941608 0.45932 0.401123
+4453 1 0.925838 0.43497 0.512539
+4454 2 0.946059 0.422866 0.528382
+4455 2 0.908154 0.413623 0.504497
+4456 1 0.822412 0.314607 0.464683
+4457 2 0.804843 0.334133 0.452806
+4458 2 0.85537 0.314559 0.458331
+4459 1 0.763546 0.413024 0.379861
+4460 2 0.734167 0.408136 0.39143
+4461 2 0.788139 0.398912 0.389626
+4462 1 0.777233 0.445381 0.530222
+4463 2 0.807435 0.457886 0.524573
+4464 2 0.777883 0.444101 0.553064
+4468 1 0.872453 0.480939 0.63907
+4469 2 0.880669 0.483269 0.617222
+4470 2 0.84408 0.496093 0.641539
+4474 1 0.980274 0.402699 0.552332
+4475 2 1.00193 0.382314 0.55648
+4476 2 0.968211 0.409918 0.57291
+4480 1 0.893971 0.376333 0.490755
+4481 2 0.895297 0.363482 0.471206
+4482 2 0.903426 0.357869 0.506242
+4483 1 0.774708 0.443584 0.587719
+4484 2 0.781874 0.422097 0.598642
+4485 2 0.773968 0.464708 0.601872
+4486 1 0.93519 0.424828 0.602916
+4487 2 0.961653 0.429628 0.617246
+4488 2 0.925451 0.449631 0.596289
+4608 2 0.939056 0.42535 0.350042
+4615 1 0.945297 0.483821 0.430757
+4616 2 0.959494 0.464498 0.444225
+4624 1 0.981726 0.429599 0.465387
+4625 2 0.963307 0.432141 0.485043
+4630 1 0.886324 0.482371 0.47828
+4631 2 0.902303 0.466165 0.493749
+4632 2 0.913445 0.490327 0.465128
+4930 1 0.965082 0.0272847 0.337533
+4999 1 0.973329 0.0779712 0.650373
+4933 1 0.945429 0.0167385 0.398148
+4934 2 0.958568 0.0196951 0.377241
+4950 2 0.700417 0.0368135 0.440178
+4948 1 0.729755 0.0400866 0.452583
+4337 2 0.920924 0.104567 0.663418
+4304 2 0.810811 0.318411 0.663933
+436 1 0.978424 0.410046 0.665191
+100 1 0.930227 0.0727985 0.730076
+101 2 0.913071 0.0815783 0.748332
+102 2 0.950653 0.0538027 0.739991
+126 2 0.968205 0.102911 0.793849
+309 2 0.954924 0.194063 0.676526
+310 1 0.961471 0.242361 0.853211
+311 2 0.937824 0.223187 0.856117
+312 2 0.992526 0.231663 0.858952
+316 1 0.943519 0.220958 0.923134
+317 2 0.910509 0.226714 0.927888
+318 2 0.940891 0.20545 0.90448
+437 2 0.95142 0.398069 0.6754
+460 1 0.965228 0.475781 0.839829
+461 2 0.955053 0.490744 0.857921
+462 2 0.983114 0.455654 0.84976
+3987 2 0.674059 0.00253104 0.668554
+486 2 0.999607 0.473224 0.930006
+492 2 0.976032 0.371095 0.927149
+499 1 0.970775 0.301398 0.892011
+500 2 0.968882 0.283461 0.875589
+501 2 0.938534 0.311548 0.891203
+503 2 0.988063 0.24629 0.939536
+643 1 0.991321 0.407375 0.747913
+644 2 0.963994 0.418873 0.736293
+667 1 0.925698 0.392363 0.86677
+668 2 0.913192 0.414117 0.876223
+669 2 0.959949 0.397446 0.866682
+1334 2 0.512931 0.357144 0.946541
+1501 1 0.510767 0.49357 0.951993
+1502 2 0.502685 0.496445 0.973808
+4701 2 0.748037 0.406293 0.84359
+2019 2 0.523667 0.195752 0.915417
+4700 2 0.788332 0.377592 0.850597
+2036 2 0.561608 0.00762671 0.883344
+2126 2 0.572126 0.236294 0.681078
+2137 1 0.516964 0.168594 0.695515
+2138 2 0.523618 0.17717 0.716942
+2146 1 0.54562 0.0865876 0.737367
+2147 2 0.556551 0.0616702 0.739378
+2148 2 0.52623 0.0877045 0.718681
+2149 1 0.589691 0.14754 0.877577
+2150 2 0.580765 0.132677 0.895613
+2151 2 0.582974 0.130557 0.860513
+2167 1 0.554846 0.108502 0.921579
+2168 2 0.552983 0.083731 0.929654
+2169 2 0.522817 0.118066 0.924543
+2170 1 0.797523 0.0945411 0.891507
+2171 2 0.78957 0.100016 0.870235
+2172 2 0.779185 0.112355 0.903343
+2182 1 0.591491 0.0294688 0.860144
+2183 2 0.586672 0.0310098 0.837856
+2184 2 0.62427 0.0390175 0.862668
+2201 2 0.587401 0.235342 0.997621
+2314 1 0.524911 0.210142 0.742697
+2315 2 0.555203 0.223473 0.743686
+2316 2 0.518427 0.199115 0.7628
+2318 2 0.532248 0.291623 0.782545
+2322 2 0.511703 0.119637 0.750669
+2332 1 0.555619 0.278833 0.919325
+2333 2 0.561745 0.253821 0.912649
+2334 2 0.527034 0.284464 0.906805
+2338 1 0.848578 0.237862 0.924728
+2339 2 0.838362 0.214002 0.931312
+2340 2 0.818584 0.253093 0.920429
+2341 1 0.680265 0.285695 0.997279
+2342 2 0.71552 0.284051 0.993697
+2343 2 0.667766 0.286488 0.975713
+2346 2 0.504205 0.310857 0.863624
+2473 1 0.560421 0.473206 0.771752
+2474 2 0.552802 0.497722 0.778451
+2475 2 0.584975 0.477126 0.755271
+2476 1 0.610595 0.436257 0.85918
+2477 2 0.586072 0.42766 0.873735
+2478 2 0.630554 0.452643 0.871724
+2479 1 0.695721 0.423664 0.833865
+2480 2 0.661017 0.425376 0.837057
+2481 2 0.700515 0.432137 0.812411
+2482 1 0.640389 0.298867 0.778261
+2483 2 0.623642 0.321344 0.772501
+2484 2 0.672827 0.303108 0.769151
+2485 1 0.546111 0.427724 0.817364
+2486 2 0.575623 0.433974 0.828143
+2487 2 0.547849 0.438515 0.7963
+2488 1 0.512926 0.336285 0.740432
+3162 2 0.592944 -0.00290472 0.745948
+2497 1 0.543861 0.418694 0.905501
+2498 2 0.515609 0.432075 0.915136
+2499 2 0.542544 0.394398 0.914458
+2512 1 0.59217 0.326526 0.865094
+2513 2 0.585298 0.342597 0.846905
+2514 2 0.608649 0.343523 0.878472
+2518 1 0.628696 0.440002 0.940585
+2519 2 0.634441 0.466061 0.942733
+2520 2 0.601058 0.434085 0.927898
+2624 2 0.648482 0.477465 0.730357
+4161 2 0.975524 0.0260658 0.827822
+2663 2 0.69991 0.497674 0.779267
+2688 2 0.544279 0.495309 0.912483
+2965 1 0.536268 0.0254675 0.672382
+2966 2 0.56762 0.0253178 0.682037
+3043 1 0.551392 0.0453691 0.94286
+3044 2 0.543169 0.0304265 0.924805
+3045 2 0.52942 0.0324957 0.956724
+3127 1 0.750051 0.0381713 0.690826
+3128 2 0.735889 0.0319717 0.6703
+3129 2 0.782513 0.0298759 0.689759
+3145 1 0.830782 0.0217926 0.766025
+3146 2 0.79904 0.0140866 0.772833
+3147 2 0.852977 0.006498 0.777652
+3148 1 0.682475 0.142191 0.861845
+3149 2 0.651054 0.140688 0.87156
+3150 2 0.685752 0.167722 0.856741
+3157 1 0.906242 0.100909 0.785211
+3158 2 0.882882 0.119239 0.78138
+3159 2 0.900855 0.0924719 0.806578
+3160 1 0.573088 0.0184292 0.741073
+3161 2 0.54072 0.00859127 0.738264
+3166 1 0.668274 0.0676839 0.851084
+3167 2 0.689178 0.0666313 0.833528
+3168 2 0.679644 0.0892477 0.862245
+3169 1 0.764273 0.0646032 0.828247
+3170 2 0.790946 0.0522482 0.81816
+3171 2 0.750913 0.0462119 0.842736
+3172 1 0.623902 0.141398 0.949613
+3173 2 0.597885 0.127063 0.940643
+3174 2 0.629287 0.131591 0.970471
+3175 1 0.733307 0.122506 0.971232
+3176 2 0.738383 0.0965921 0.966656
+3177 2 0.704552 0.121888 0.984289
+3181 1 0.763522 0.163861 0.92073
+3182 2 0.735233 0.178594 0.917748
+3183 2 0.75526 0.149295 0.938969
+3184 1 0.868246 0.0506492 0.887355
+3185 2 0.840116 0.0664524 0.888074
+3186 2 0.890438 0.0637814 0.900652
+3187 1 0.559094 0.0944075 0.844259
+3188 2 0.561861 0.0697438 0.852831
+3189 2 0.564646 0.0931747 0.822219
+3190 1 0.753475 0.0542273 0.960736
+3191 2 0.737423 0.0480093 0.941425
+3192 2 0.756125 0.0312453 0.972678
+3210 2 0.759845 0.198233 0.997516
+2623 1 0.627557 0.496456 0.739101
+4162 1 0.998943 0.00424404 0.888376
+3292 1 0.674101 0.265455 0.706
+3293 2 0.661008 0.270001 0.685391
+3294 2 0.708265 0.260888 0.702026
+3295 1 0.656081 0.091941 0.727367
+3296 2 0.640566 0.114588 0.722405
+3297 2 0.630157 0.0760177 0.7337
+3301 1 0.82648 0.319254 0.739023
+3302 2 0.856856 0.309524 0.746647
+3303 2 0.829564 0.317136 0.717095
+3310 1 0.598658 0.14809 0.672652
+3311 2 0.564503 0.148141 0.678681
+3312 2 0.61473 0.160139 0.691311
+3313 1 0.755369 0.236558 0.698786
+3314 2 0.765993 0.25161 0.680551
+3315 2 0.751764 0.211294 0.690896
+3316 1 0.618809 0.270535 0.831341
+3317 2 0.601262 0.290152 0.843227
+3318 2 0.628974 0.282052 0.812317
+3319 1 0.88079 0.154782 0.722236
+3320 2 0.869469 0.170344 0.73912
+3321 2 0.860212 0.134846 0.726695
+3322 1 0.511875 0.217306 0.811494
+4016 2 0.687437 -0.00117208 0.920266
+3324 2 0.541921 0.224568 0.820801
+3325 1 0.795889 0.326517 0.863446
+3326 2 0.763145 0.331322 0.854876
+3327 2 0.809466 0.310626 0.847451
+3328 1 0.719871 0.121439 0.807409
+3329 2 0.737897 0.100227 0.815034
+3330 2 0.708692 0.132649 0.826781
+3331 1 0.634797 0.177323 0.721476
+3332 2 0.664911 0.172245 0.733491
+3333 2 0.620127 0.199344 0.730303
+3334 1 0.581318 0.209376 0.904979
+3335 2 0.583958 0.186489 0.893034
+3336 2 0.604549 0.205735 0.921167
+3337 1 0.676346 0.368495 0.881591
+3338 2 0.675701 0.391342 0.870585
+3339 2 0.68849 0.351432 0.865837
+3343 1 0.888066 0.298925 0.965243
+3344 2 0.906927 0.28231 0.979646
+3345 2 0.881451 0.283067 0.947775
+3346 1 0.852884 0.196331 0.770483
+3347 2 0.849413 0.205006 0.791546
+3348 2 0.857142 0.218176 0.757815
+3349 1 0.644948 0.293872 0.93671
+3350 2 0.61087 0.289463 0.932777
+3351 2 0.663127 0.280976 0.920642
+3352 1 0.650079 0.211898 0.852993
+3353 2 0.64097 0.236772 0.844817
+3354 2 0.620229 0.198884 0.849682
+3355 1 0.675025 0.197705 0.942322
+3356 2 0.6592 0.173775 0.940952
+3357 2 0.683332 0.199681 0.964907
+3358 1 0.699081 0.244827 0.900192
+3359 2 0.686009 0.232754 0.881049
+3360 2 0.696314 0.226785 0.917686
+3376 1 0.7729 0.291403 0.981653
+3377 2 0.798885 0.278441 0.993728
+3378 2 0.781086 0.292248 0.95929
+3464 2 0.731052 0.375448 0.67708
+3478 1 0.636592 0.389927 0.68737
+3479 2 0.627711 0.368927 0.67461
+3480 2 0.645796 0.406919 0.670531
+3481 1 0.607901 0.355266 0.742721
+3482 2 0.623143 0.360852 0.722544
+3483 2 0.574484 0.34886 0.738052
+3484 1 0.714842 0.450105 0.775226
+3485 2 0.747524 0.441386 0.773206
+3486 2 0.701761 0.441234 0.75544
+3487 1 0.718867 0.338217 0.829186
+3488 2 0.708538 0.350383 0.809753
+3489 2 0.714512 0.312259 0.825712
+3490 1 0.797774 0.4223 0.780037
+3491 2 0.796188 0.406056 0.798205
+3492 2 0.825996 0.413688 0.76917
+3493 1 0.677478 0.442648 0.718035
+3494 2 0.663813 0.419954 0.710122
+3495 2 0.703252 0.450801 0.704369
+3496 1 0.735846 0.292006 0.754141
+3497 2 0.728021 0.277864 0.735594
+3498 2 0.768898 0.299574 0.750967
+3499 1 0.605876 0.245243 0.741224
+3500 2 0.633696 0.251986 0.727139
+3501 2 0.611913 0.259864 0.759057
+3502 1 0.740941 0.269942 0.813804
+3503 2 0.750274 0.282984 0.794951
+3504 2 0.72188 0.250166 0.805486
+2991 2 0.502561 0.112493 0.833894
+3506 2 0.730693 0.491478 0.834757
+3511 1 0.678642 0.359986 0.943119
+3512 2 0.670813 0.333863 0.94337
+3513 2 0.682122 0.366407 0.921316
+3514 1 0.68873 0.403158 0.992219
+3515 2 0.66903 0.42422 0.98839
+3516 2 0.686676 0.387472 0.973505
+3520 1 0.567498 0.350451 0.93034
+3521 2 0.599824 0.355013 0.938862
+3522 2 0.565402 0.323813 0.927989
+3523 1 0.578723 0.36587 0.81729
+3524 2 0.590055 0.373263 0.797625
+3525 2 0.5588 0.387035 0.824342
+3528 2 0.694842 0.483889 0.936154
+3526 1 0.676897 0.499598 0.950913
+3549 2 0.640145 0.473592 0.986086
+3658 1 0.923638 0.478245 0.760322
+3659 2 0.942323 0.470081 0.74293
+3660 2 0.926401 0.459626 0.776299
+4143 2 0.992956 0.0972413 0.67928
+3973 1 0.743936 0.107335 0.708061
+3974 2 0.746077 0.0833408 0.697829
+3975 2 0.712886 0.105915 0.718959
+3988 1 0.742681 0.00683903 0.865928
+3990 2 0.721794 0.0194071 0.881188
+3991 1 0.560393 0.0307935 0.800812
+3992 2 0.568347 0.0298221 0.778907
+3993 2 0.534333 0.0131968 0.803198
+3997 1 0.700164 0.0134429 0.737485
+3998 2 0.693022 0.0315301 0.753203
+3999 2 0.721922 0.02473 0.722487
+4012 1 0.64523 0.0445867 0.966624
+4013 2 0.613818 0.0467494 0.957126
+4014 2 0.641604 0.0553249 0.987253
+4015 1 0.696268 0.0243606 0.917374
+4017 2 0.676749 0.0367368 0.9334
+2489 2 0.50375 0.312203 0.733671
+504 2 0.997253 0.282679 0.924136
+4130 2 0.853843 0.0386442 0.680869
+4132 1 0.855865 0.0118079 0.708447
+4134 2 0.846149 0.0168974 0.729867
+4141 1 0.990914 0.111822 0.698788
+4142 2 0.963701 0.101014 0.710338
+4156 1 0.912578 0.0787026 0.840341
+4157 2 0.897932 0.0644293 0.856602
+4158 2 0.939672 0.0913755 0.849364
+4177 1 0.907276 0.180025 0.870328
+4178 2 0.889157 0.168746 0.887571
+4179 2 0.933352 0.163197 0.866015
+4180 1 0.864888 0.154741 0.922963
+4181 2 0.830235 0.15209 0.921116
+4182 2 0.87119 0.163736 0.943731
+4183 1 0.92378 0.0906771 0.923839
+4184 2 0.919145 0.0773028 0.943117
+4185 2 0.90576 0.113188 0.92661
+4186 1 0.903826 0.05503 0.979758
+4187 2 0.924492 0.0701143 0.992248
+4188 2 0.871146 0.0635254 0.984985
+4189 1 0.966063 0.122756 0.874874
+4190 2 0.955294 0.108566 0.892332
+2127 2 0.537357 0.20267 0.67515
+4192 1 0.821564 0.0810431 0.994813
+4193 2 0.793943 0.0744969 0.981559
+4196 2 0.876415 0.000342957 0.966195
+4210 1 0.989125 0.148353 0.966284
+4211 2 0.975405 0.1298 0.979459
+4212 2 0.96207 0.162263 0.958709
+4219 1 0.878655 0.180531 0.980729
+4220 2 0.896903 0.178598 1.00023
+4221 2 0.846343 0.187502 0.987376
+4300 1 0.847866 0.235557 0.717237
+4301 2 0.858568 0.224187 0.697867
+4302 2 0.812883 0.234174 0.71631
+4303 1 0.835296 0.323871 0.679575
+2657 2 0.584073 0.500539 0.675259
+4318 1 0.751931 0.169398 0.681656
+4320 2 0.747482 0.145114 0.691345
+4321 1 0.703316 0.164995 0.75782
+4322 2 0.737467 0.164787 0.753857
+4323 2 0.700075 0.148318 0.776019
+4324 1 0.90903 0.301829 0.759134
+4325 2 0.920172 0.324907 0.767312
+4326 2 0.92565 0.284339 0.772778
+4336 1 0.893672 0.120644 0.666795
+4338 2 0.897515 0.131847 0.687279
+4339 1 0.823816 0.100009 0.735817
+4340 2 0.824803 0.0766982 0.746433
+4341 2 0.792058 0.102343 0.726435
+4342 1 0.974212 0.0232003 0.757813
+4343 2 0.978479 0.0251499 0.779774
+4345 1 0.844018 0.283251 0.8191
+4346 2 0.873547 0.274862 0.80871
+4347 2 0.82668 0.260891 0.823729
+4360 1 0.966137 0.179794 0.707199
+4361 2 0.934138 0.172575 0.713896
+4362 2 0.982958 0.156589 0.704184
+4363 1 0.931052 0.285131 0.690279
+4364 2 0.900868 0.280493 0.701008
+4365 2 0.948335 0.2994 0.705376
+4366 1 0.843042 0.209245 0.831188
+4367 2 0.867231 0.199882 0.845761
+4368 2 0.814045 0.19573 0.834447
+4371 2 0.924057 0.491842 0.952148
+4372 1 0.813219 0.475345 0.924942
+4373 2 0.78641 0.459699 0.920537
+4374 2 0.840509 0.465067 0.913926
+4381 1 0.88398 0.474407 0.973429
+4382 2 0.877772 0.490363 0.990548
+4383 2 0.853233 0.466552 0.965781
+4384 1 0.956327 0.348991 0.996755
+4386 2 0.954718 0.329469 0.982085
+4477 1 0.804281 0.430773 0.705061
+4478 2 0.833371 0.428032 0.718108
+4479 2 0.814966 0.422412 0.684576
+4489 1 0.747638 0.376139 0.720935
+4490 2 0.769784 0.396371 0.716218
+4491 2 0.767872 0.355148 0.724109
+4492 1 0.91682 0.423766 0.800174
+4493 2 0.925025 0.437712 0.818727
+4494 2 0.906107 0.400535 0.808068
+4495 1 0.898035 0.351041 0.809685
+4496 2 0.920623 0.343844 0.825228
+4497 2 0.870009 0.335782 0.813193
+4498 1 0.996792 0.351423 0.785689
+4500 2 0.992802 0.373809 0.773353
+4501 1 0.947412 0.259541 0.795013
+4502 2 0.94731 0.255879 0.817385
+4503 2 0.97482 0.245367 0.788356
+4504 1 0.905205 0.38467 0.693833
+4505 2 0.877875 0.386927 0.680176
+4506 2 0.891979 0.392346 0.713593
+4507 1 0.699316 0.362978 0.773346
+4508 2 0.668148 0.365842 0.763649
+4509 2 0.723102 0.368212 0.757028
+4510 1 0.799987 0.400399 0.913429
+4511 2 0.820625 0.381962 0.923306
+4512 2 0.811655 0.405623 0.892972
+4513 1 0.718938 0.447606 0.917329
+4514 2 0.741943 0.427498 0.918298
+4515 2 0.689491 0.437022 0.925385
+4516 1 0.855287 0.364197 0.953049
+4517 2 0.847343 0.375631 0.972758
+4518 2 0.860962 0.338785 0.958085
+4519 1 0.934365 0.407685 0.945288
+4520 2 0.910645 0.388034 0.947307
+4521 2 0.936532 0.416189 0.966317
+4525 1 0.901053 0.446007 0.901699
+4526 2 0.912671 0.43046 0.918317
+4527 2 0.909084 0.470384 0.909404
+4528 1 0.777593 0.28119 0.916019
+4529 2 0.78312 0.300838 0.900124
+4530 2 0.746246 0.269777 0.909179
+4531 1 0.87333 0.398666 0.750533
+4532 2 0.870179 0.373244 0.756207
+4533 2 0.8921 0.411266 0.766392
+4534 1 0.887782 0.332193 0.882976
+4535 2 0.899752 0.355102 0.874392
+4536 2 0.853597 0.332154 0.881107
+4675 1 0.751381 0.484949 0.693195
+4676 2 0.768779 0.497302 0.676922
+4677 2 0.772346 0.464393 0.700229
+4678 1 0.959395 0.464764 0.705786
+4679 2 0.944642 0.487369 0.698744
+4680 2 0.967707 0.452969 0.686645
+4696 1 0.799945 0.471809 0.828694
+4697 2 0.798529 0.449943 0.841815
+4698 2 0.80128 0.460788 0.808152
+4699 1 0.782598 0.401782 0.841944
+4164 2 0.973456 0.00703061 0.87306
+2317 1 0.503997 0.285918 0.794143
+4131 2 0.865893 0.0774968 0.667217
+4305 2 0.865248 0.318069 0.669839
+4348 1 0.932042 0.258654 0.996696
+491 2 1.0083 0.341815 0.909624
+4043 2 0.953633 0.00728587 0.999662
+4349 2 0.920798 0.233773 0.993019
+2967 2 0.525249 -0.000309179 0.671633
+4319 2 0.779569 0.164956 0.668204
+1 1 0.968056 0.929073 0.0182629
+2 2 0.966978 0.955665 0.021017
+3 2 0.948079 0.919315 0.035213
+40 1 0.9486 0.974327 0.209686
+41 2 0.926373 0.993173 0.217143
+42 2 0.974307 0.972584 0.225214
+152 2 0.986127 0.983989 0.0946231
+570 2 0.999121 0.614212 0.206047
+571 1 0.884511 0.527852 0.301015
+572 2 0.869841 0.512585 0.284312
+573 2 0.911121 0.54245 0.291528
+700 1 0.971393 0.788906 0.1787
+702 2 0.971704 0.809897 0.165014
+712 1 0.936365 0.718382 0.0693759
+713 2 0.946486 0.727658 0.0898617
+714 2 0.931129 0.692379 0.0720608
+715 1 0.816522 0.713247 0.115453
+716 2 0.836017 0.733333 0.123822
+717 2 0.813208 0.697528 0.133009
+718 1 0.867776 0.651363 0.146299
+719 2 0.842051 0.633517 0.150085
+720 2 0.897346 0.636962 0.148325
+742 1 0.993425 0.963721 0.316324
+743 2 0.981979 0.98632 0.326341
+846 2 0.961751 0.990894 0.165758
+883 1 0.949175 0.754119 0.130079
+884 2 0.915143 0.758718 0.131661
+885 2 0.959092 0.768601 0.148282
+5022 2 0.850754 0.973052 0.0363127
+1729 1 0.505539 0.769885 0.294411
+1730 2 0.506954 0.762732 0.315973
+2049 2 0.527347 0.979358 0.152169
+2360 2 0.6993 0.513982 0.141776
+2365 1 0.523479 0.581051 0.19036
+2367 2 0.512767 0.568796 0.171125
+2383 1 0.618426 0.518504 0.166835
+2385 2 0.625665 0.52612 0.188395
+2389 1 0.569608 0.586888 0.240629
+2390 2 0.600847 0.575761 0.240909
+2391 2 0.554024 0.582482 0.220083
+2521 1 0.571833 0.601829 0.0675814
+2522 2 0.541465 0.614986 0.0652824
+2523 2 0.597702 0.619356 0.0707047
+2524 1 0.535822 0.677881 0.126364
+2525 2 0.548617 0.689644 0.107858
+2526 2 0.501353 0.673233 0.122289
+2527 1 0.580844 0.62021 0.150709
+2528 2 0.564887 0.606731 0.168093
+2529 2 0.556876 0.638218 0.143841
+2533 1 0.644549 0.6495 0.072364
+2534 2 0.626793 0.672422 0.0756661
+2535 2 0.652968 0.648519 0.0501556
+2536 1 0.55072 0.517071 0.0317179
+2537 2 0.549788 0.525756 0.0527915
+2538 2 0.536976 0.534765 0.0173916
+2554 1 0.712173 0.660009 0.20471
+2555 2 0.688083 0.673229 0.21657
+2556 2 0.705948 0.633301 0.206993
+2557 1 0.518649 0.606786 0.290859
+2558 2 0.541218 0.599246 0.274409
+2559 2 0.528882 0.632566 0.293848
+2561 2 0.593805 0.513497 0.278731
+4712 2 0.990158 0.714769 0.0120341
+2578 1 0.606425 0.549461 0.300451
+2579 2 0.6392 0.552821 0.3055
+2580 2 0.587232 0.557036 0.318906
+2671 1 0.560699 0.542187 0.0934213
+2672 2 0.564175 0.56531 0.0820919
+2673 2 0.581931 0.546491 0.111297
+2695 1 0.595385 0.708691 0.0644307
+2696 2 0.587627 0.699431 0.0437348
+2697 2 0.606013 0.733386 0.0612204
+2698 1 0.60197 0.859357 0.134947
+2699 2 0.583056 0.872781 0.119705
+2700 2 0.591888 0.834275 0.132341
+2701 1 0.521966 0.779282 0.19721
+2702 2 0.537556 0.801953 0.190774
+2703 2 0.534074 0.76162 0.181679
+2704 1 0.524683 0.624824 0.00486717
+2706 2 0.512501 0.635035 0.0240613
+2713 1 0.626999 0.856511 0.224353
+2714 2 0.649671 0.868202 0.211179
+2715 2 0.636617 0.858403 0.246583
+2716 1 0.538702 0.984068 0.285297
+2717 2 0.567128 0.989217 0.298321
+2718 2 0.542944 0.959636 0.277146
+2719 1 0.632824 0.800059 0.18351
+2720 2 0.636043 0.818061 0.199915
+2721 2 0.642636 0.778102 0.194519
+2722 1 0.564865 0.795971 0.126241
+2723 2 0.562721 0.772156 0.135975
+2724 2 0.599454 0.797994 0.121452
+2725 1 0.546347 0.860536 0.189849
+2726 2 0.569398 0.866687 0.173823
+2727 2 0.56998 0.858476 0.206925
+2728 1 0.529157 0.670018 0.211247
+2729 2 0.557385 0.675996 0.199067
+2730 2 0.524882 0.692285 0.223967
+2731 1 0.557233 0.737158 0.157928
+2732 2 0.539938 0.71535 0.151953
+2733 2 0.589898 0.728127 0.164047
+2734 1 0.530151 0.732509 0.239382
+2735 2 0.526494 0.750457 0.222701
+2736 2 0.528393 0.74716 0.25883
+2737 1 0.606465 0.722582 0.300933
+2738 2 0.640061 0.728537 0.296652
+2739 2 0.589768 0.745653 0.303404
+2746 1 0.735534 0.826237 0.27849
+2747 2 0.72867 0.840287 0.260033
+2748 2 0.770387 0.82244 0.277515
+2752 1 0.642394 0.644508 0.320916
+2753 2 0.653941 0.636913 0.300383
+2754 2 0.607845 0.645954 0.318455
+2755 1 0.547803 0.670219 0.302284
+2756 2 0.570784 0.69006 0.299597
+2757 2 0.544965 0.66732 0.325102
+2845 1 0.571591 0.691509 0.00496093
+2847 2 0.540509 0.701286 0.010172
+2857 1 0.542003 0.880688 0.0918444
+2858 2 0.542428 0.860716 0.0765252
+2859 2 0.509334 0.889256 0.0924072
+2866 1 0.585438 0.940557 0.0724055
+2867 2 0.574151 0.917262 0.0813509
+2868 2 0.618146 0.942269 0.0809864
+2870 2 0.553969 0.98273 0.0840545
+2872 1 0.560292 0.859697 0.0310559
+2873 2 0.566782 0.882503 0.021831
+2874 2 0.532038 0.850837 0.019575
+2881 1 0.589405 0.944434 0.186244
+2882 2 0.563975 0.940094 0.17118
+2883 2 0.608064 0.965309 0.178033
+2885 2 0.634329 0.993323 0.239286
+3908 2 0.506106 0.812843 0.118696
+2887 1 0.651721 0.960108 0.263815
+2888 2 0.680758 0.945297 0.267914
+2889 2 0.64629 0.978569 0.280642
+2898 2 0.501308 0.886385 0.19424
+2899 1 0.509939 0.939041 0.149202
+2904 2 0.509388 0.984417 0.224952
+2544 2 0.503054 0.551192 0.119141
+2920 1 0.594978 0.788627 0.274862
+2921 2 0.606784 0.811631 0.283016
+2922 2 0.559838 0.789502 0.274465
+2923 1 0.573272 0.930741 0.245523
+2924 2 0.573851 0.93581 0.223192
+2925 2 0.602694 0.944227 0.252488
+2926 1 0.551126 0.904342 0.2989
+2927 2 0.558143 0.905808 0.276602
+2928 2 0.51997 0.892732 0.302128
+3013 1 0.562269 0.928982 0.00972063
+3014 2 0.569478 0.939631 0.0305202
+4601 2 0.978842 0.506742 0.29023
+3064 1 0.780288 0.975245 0.0986384
+3065 2 0.767666 0.990729 0.0822594
+3066 2 0.772599 0.951054 0.0915461
+3091 1 0.826068 0.956624 0.241186
+3092 2 0.822133 0.970758 0.260594
+3093 2 0.83615 0.975777 0.226912
+3364 1 0.683309 0.558379 0.0172164
+3365 2 0.683495 0.569363 0.038104
+3366 2 0.653647 0.569368 0.00948865
+3388 1 0.704889 0.592188 0.225239
+3389 2 0.683192 0.571744 0.222207
+3390 2 0.736543 0.581477 0.229631
+3529 1 0.834948 0.695833 0.0550183
+3530 2 0.83384 0.71665 0.0410315
+3531 2 0.82409 0.70422 0.0759522
+3532 1 0.659219 0.657784 0.129502
+3533 2 0.630189 0.648613 0.140061
+3534 2 0.656553 0.650729 0.107333
+3541 1 0.783243 0.555313 0.0695941
+3542 2 0.778358 0.53488 0.0545886
+3543 2 0.751035 0.563082 0.0763071
+3544 1 0.758618 0.512553 0.0253781
+3545 2 0.779688 0.516681 0.00777844
+3546 2 0.726808 0.52217 0.0197054
+3550 1 0.687112 0.576335 0.0788367
+3551 2 0.683257 0.602836 0.0788654
+3552 2 0.673321 0.569002 0.0991976
+3553 1 0.737498 0.536516 0.171231
+3554 2 0.732006 0.522254 0.19009
+3555 2 0.769304 0.534886 0.163287
+3556 1 0.833012 0.652602 0.295176
+3557 2 0.808586 0.639525 0.306912
+3558 2 0.819493 0.676946 0.294066
+3559 1 0.741239 0.640385 0.313815
+3560 2 0.720373 0.639721 0.29587
+3561 2 0.722435 0.65496 0.328917
+3562 1 0.828405 0.506545 0.195412
+3563 2 0.859291 0.502468 0.205199
+3565 1 0.648044 0.69191 0.240436
+3566 2 0.650192 0.718259 0.235885
+3567 2 0.619568 0.691782 0.252729
+3568 1 0.727016 0.518462 0.284404
+3569 2 0.747504 0.528535 0.268074
+3570 2 0.728532 0.5373 0.300815
+3571 1 0.642458 0.572325 0.132396
+3572 2 0.619584 0.592469 0.136016
+3573 2 0.634759 0.552142 0.147182
+3574 1 0.785048 0.5544 0.234317
+3575 2 0.793482 0.536056 0.21875
+3576 2 0.814515 0.564243 0.242044
+3595 1 0.644985 0.538967 0.224224
+3596 2 0.624861 0.526442 0.239046
+3597 2 0.673035 0.523028 0.221635
+3685 1 0.652691 0.654674 0.0104595
+2916 2 0.731515 0.988043 0.272286
+3687 2 0.626013 0.671454 0.00753971
+3697 1 0.577867 0.786274 0.026295
+3698 2 0.546867 0.777605 0.0193418
+3699 2 0.574486 0.811163 0.0336676
+3700 1 0.719763 0.829346 0.0870949
+3701 2 0.695336 0.815988 0.0993538
+3702 2 0.750704 0.819376 0.0930937
+3703 1 0.865203 0.844201 0.0333207
+3704 2 0.884635 0.845501 0.0142669
+3705 2 0.880458 0.862588 0.0458825
+3706 1 0.890742 0.653146 0.0889294
+3707 2 0.865862 0.666468 0.0769587
+3708 2 0.882739 0.656288 0.110867
+3709 1 0.693114 0.802936 0.0314241
+3710 2 0.704915 0.812087 0.0517405
+3711 2 0.670836 0.821433 0.0243373
+3712 1 0.821771 0.817534 0.083395
+3713 2 0.834894 0.827092 0.0641774
+3714 2 0.818459 0.79143 0.0813528
+3715 1 0.701702 0.727843 0.0446729
+3716 2 0.716662 0.712926 0.028374
+3717 2 0.692224 0.750994 0.0363316
+3718 1 0.720853 0.744913 0.103513
+3719 2 0.714041 0.737705 0.0817118
+3720 2 0.745924 0.728861 0.111358
+3721 1 0.872407 0.847965 0.130428
+3722 2 0.850574 0.842395 0.147397
+3723 2 0.858761 0.836838 0.112108
+3724 1 0.656279 0.795141 0.121405
+3725 2 0.652162 0.794477 0.144143
+3726 2 0.672901 0.772032 0.117063
+3727 1 0.825939 0.837834 0.264667
+3728 2 0.832301 0.859356 0.251859
+3729 2 0.825674 0.816814 0.251183
+3730 1 0.801506 0.633549 0.204278
+3731 2 0.770103 0.644968 0.203908
+3732 2 0.798691 0.616914 0.186578
+3733 1 0.825978 0.779811 0.229291
+3734 2 0.803065 0.760457 0.231597
+3735 2 0.857879 0.768337 0.230812
+3736 1 0.858334 0.611132 0.244224
+3737 2 0.851001 0.62578 0.262331
+3738 2 0.833921 0.621433 0.22947
+3739 1 0.643415 0.715505 0.164547
+3740 2 0.652876 0.695042 0.151059
+3741 2 0.666831 0.715024 0.181195
+3742 1 0.727979 0.609728 0.143476
+3743 2 0.705253 0.59001 0.147132
+3744 2 0.709838 0.631383 0.136939
+3745 1 0.654934 0.761743 0.239511
+3746 2 0.679053 0.758374 0.255889
+3747 2 0.630568 0.776235 0.251079
+3754 1 0.79735 0.726914 0.308621
+3755 2 0.81493 0.715685 0.325475
+3756 2 0.790634 0.751429 0.314548
+3760 1 0.705938 0.751901 0.288774
+3761 2 0.729044 0.735393 0.296871
+3762 2 0.715211 0.776588 0.294522
+3763 1 0.673397 0.634028 0.267822
+3764 2 0.661257 0.656051 0.257219
+3765 2 0.689612 0.620585 0.251338
+3847 1 0.835844 0.754082 0.0147334
+2568 2 0.518089 0.512136 0.212234
+3849 2 0.802791 0.758923 0.00817454
+4042 1 0.956763 0.998879 0.0216069
+3868 1 0.63706 0.99456 0.154467
+3870 2 0.660138 0.974573 0.153096
+3871 1 0.680142 0.868637 0.168703
+3872 2 0.652851 0.859661 0.15648
+3873 2 0.708901 0.865257 0.156368
+3874 1 0.690932 0.907263 0.0220459
+3875 2 0.671936 0.927934 0.0142765
+3876 2 0.67718 0.885356 0.0127651
+3877 1 0.676808 0.940332 0.0941417
+3878 2 0.703013 0.925432 0.085782
+3879 2 0.684318 0.94236 0.116239
+3882 2 0.614172 0.857299 0.0122785
+3889 1 0.759232 0.942494 0.201973
+3890 2 0.778605 0.949471 0.184709
+3891 2 0.778009 0.948818 0.220748
+3895 1 0.752625 0.890908 0.318835
+1383 2 0.504043 0.507579 0.313025
+3897 2 0.753951 0.868476 0.307112
+3898 1 0.846388 0.891004 0.220852
+3899 2 0.836623 0.91393 0.230055
+3900 2 0.880308 0.894783 0.214271
+3904 1 0.692453 0.939375 0.157161
+3905 2 0.716853 0.940492 0.173164
+3906 2 0.680761 0.915098 0.160117
+3910 1 0.64273 0.849359 0.286504
+3911 2 0.625468 0.868339 0.296584
+3912 2 0.675056 0.847412 0.295642
+3931 1 0.737056 0.953956 0.304893
+3932 2 0.746929 0.928264 0.309338
+3933 2 0.723068 0.959546 0.325058
+3936 2 0.58879 0.912833 0.326558
+4011 2 0.65901 0.989329 0.00251474
+4054 1 0.933497 0.956248 0.0976256
+4055 2 0.92704 0.93861 0.114129
+4056 2 0.909454 0.974834 0.101261
+4711 1 0.994889 0.740715 0.00729945
+4073 2 0.996588 0.973187 0.278793
+4101 2 0.855567 0.998861 0.307863
+4198 1 0.769911 0.931908 0.00658018
+4199 2 0.738743 0.922224 0.0149651
+4200 2 0.79175 0.926746 0.0243644
+4405 1 0.956446 0.544423 0.258961
+4406 2 0.951165 0.569125 0.251437
+4407 2 0.989203 0.540349 0.25277
+4420 1 0.735769 0.571447 0.323779
+4421 2 0.732456 0.596807 0.31739
+4422 2 0.770686 0.568339 0.328563
+4537 1 0.880446 0.644115 0.0159201
+4538 2 0.854281 0.656838 0.0263987
+4539 2 0.876581 0.618458 0.023013
+4540 1 0.863025 0.587966 0.0545835
+4541 2 0.87441 0.605677 0.0706735
+4542 2 0.831139 0.579991 0.0615358
+5020 1 0.870987 0.99387 0.0423047
+4558 1 0.897978 0.537593 0.0235099
+4559 2 0.88543 0.559907 0.0335092
+4560 2 0.90663 0.522675 0.0409416
+4561 1 0.914986 0.560512 0.175938
+4562 2 0.918694 0.538192 0.188246
+4563 2 0.885224 0.559469 0.165106
+4564 1 0.943375 0.605864 0.220104
+4565 2 0.91173 0.611749 0.229932
+4566 2 0.935694 0.592326 0.200535
+4569 2 0.849702 0.556766 0.322676
+4573 1 0.952969 0.682341 0.216272
+4574 2 0.943654 0.657116 0.216462
+4575 2 0.971286 0.686828 0.235228
+4579 1 0.864662 0.503762 0.0895221
+4581 2 0.849307 0.527304 0.0848005
+4582 1 0.916504 0.504855 0.214451
+4583 2 0.931957 0.520406 0.230694
+4585 1 0.921149 0.644505 0.317125
+4587 2 0.887057 0.649399 0.310643
+4693 1 0.976681 0.660781 0.0350379
+4694 2 0.941889 0.659207 0.032521
+4695 2 0.988908 0.642652 0.0205865
+4706 2 0.813895 0.844176 0.00955135
+4707 2 0.770807 0.817602 0.00503888
+4713 2 0.971423 0.754978 0.0198372
+4729 1 0.924929 0.775262 0.0388166
+4730 2 0.926096 0.751958 0.0509515
+4731 2 0.890674 0.778192 0.0329592
+4732 1 0.895525 0.710969 0.174787
+4733 2 0.887837 0.688342 0.163645
+4734 2 0.918662 0.703446 0.191016
+4735 1 0.965969 0.732031 0.270383
+4736 2 0.943855 0.745884 0.283725
+4737 2 0.957187 0.739712 0.249738
+4738 1 0.908332 0.913229 0.1403
+4739 2 0.92015 0.912276 0.161697
+4740 2 0.8943 0.889508 0.136355
+4741 1 0.863155 0.847726 0.333314
+4743 2 0.877575 0.867508 0.321382
+4744 1 0.813987 0.592603 0.14664
+4745 2 0.779783 0.600427 0.148857
+4746 2 0.811862 0.581613 0.126331
+4747 1 0.862707 0.76744 0.14572
+4748 2 0.87433 0.749894 0.161414
+4749 2 0.848057 0.786993 0.158401
+4750 1 0.97961 0.639793 0.142169
+4751 2 0.990949 0.665473 0.143661
+4752 2 0.98513 0.633844 0.120239
+4753 1 0.796127 0.794606 0.332374
+4754 2 0.820932 0.812298 0.332699
+4762 1 0.977328 0.832068 0.31354
+4941 2 0.717517 0.857753 0.203023
+4771 1 0.909755 0.775349 0.303167
+4772 2 0.929438 0.797432 0.304287
+4773 2 0.88132 0.782074 0.292291
+4774 1 0.995398 0.666253 0.286314
+4775 2 0.970455 0.651966 0.298225
+4776 2 0.980603 0.690006 0.282488
+4876 1 0.966543 0.836861 0.0708013
+4877 2 0.964523 0.8309 0.0930166
+4878 2 0.956484 0.815063 0.0593454
+4882 1 0.826593 0.92424 0.050489
+4883 2 0.803066 0.916608 0.066763
+4884 2 0.857114 0.914811 0.0581589
+4885 1 0.811551 0.94989 0.152475
+4886 2 0.845449 0.945443 0.14852
+4887 2 0.799888 0.959051 0.13283
+4894 1 0.769214 0.883808 0.150029
+4895 2 0.785809 0.863138 0.160313
+4896 2 0.78019 0.905453 0.16011
+4897 1 0.823313 0.836732 0.182864
+4898 2 0.832269 0.856801 0.197351
+4899 2 0.818147 0.815723 0.19514
+4900 1 0.89725 0.901415 0.303074
+4901 2 0.925559 0.915846 0.309223
+4902 2 0.8739 0.920106 0.301339
+4903 1 0.997577 0.865581 0.221526
+4905 2 0.969359 0.857261 0.233899
+4906 1 0.968307 0.83946 0.135623
+4907 2 0.989033 0.861021 0.137603
+4908 2 0.933656 0.846002 0.136764
+4909 1 0.932877 0.905841 0.196248
+4910 2 0.962493 0.895156 0.20377
+4911 2 0.936111 0.93186 0.202821
+4912 1 0.916979 0.897082 0.063746
+4913 2 0.934804 0.874498 0.0677255
+4914 2 0.931083 0.916029 0.0767448
+4915 1 0.762446 0.897331 0.0897014
+4916 2 0.772078 0.89083 0.110995
+4917 2 0.755328 0.874191 0.0798305
+4918 1 0.919783 0.770652 0.225942
+4919 2 0.926286 0.79259 0.238045
+4920 2 0.937417 0.775059 0.206515
+4936 1 0.934234 0.834936 0.261058
+4937 2 0.90826 0.852267 0.264761
+4938 2 0.951847 0.834082 0.281148
+4939 1 0.735008 0.862406 0.221939
+4940 2 0.75016 0.886013 0.218298
+867 2 0.998311 0.727637 0.133193
+4764 2 0.960524 0.834908 0.333298
+2532 2 0.575702 0.600959 0.00456846
+3864 2 0.720777 0.775334 0.00402395
+3686 2 0.682186 0.666488 0.00359546
+115 1 0.991874 0.965238 0.419889
+116 2 0.96136 0.952244 0.422155
+601 1 0.966347 0.530764 0.556609
+602 2 0.947501 0.543577 0.539657
+603 2 0.990156 0.517401 0.544618
+787 1 0.932714 0.574863 0.512125
+788 2 0.925777 0.570837 0.489093
+789 2 0.959621 0.592612 0.511413
+913 1 0.997777 0.947202 0.486737
+914 2 0.975402 0.963182 0.476027
+916 1 0.993387 0.858618 0.446044
+917 2 0.985791 0.85656 0.468041
+918 2 0.963518 0.854235 0.435286
+5013 2 0.912129 0.805587 0.656719
+1769 2 0.517525 0.661361 0.420623
+2104 1 0.604659 0.945323 0.495916
+2105 2 0.577823 0.951036 0.509565
+2106 2 0.628909 0.963508 0.502737
+2110 1 0.550805 0.965493 0.543188
+2111 2 0.537247 0.943081 0.551226
+2112 2 0.571646 0.973426 0.559833
+2128 1 0.607532 0.981833 0.587899
+2129 2 0.639316 0.976395 0.596555
+4935 2 0.969472 0.999121 0.407172
+2380 1 0.574635 0.531209 0.405352
+2381 2 0.597663 0.512124 0.399287
+2382 2 0.589709 0.54302 0.423361
+2425 1 0.506319 0.503519 0.470967
+5011 1 0.88144 0.793527 0.651017
+2437 1 0.637866 0.544114 0.450472
+2438 2 0.649787 0.568688 0.445772
+2439 2 0.660633 0.529343 0.438596
+2572 1 0.553291 0.637612 0.355848
+2573 2 0.579762 0.642798 0.370338
+2574 2 0.557632 0.611424 0.351388
+2575 1 0.621921 0.622879 0.492041
+2576 2 0.63572 0.646981 0.488034
+2577 2 0.638028 0.606854 0.47731
+2583 2 0.516931 0.54035 0.406237
+2584 1 0.55553 0.565143 0.349921
+2585 2 0.539053 0.542011 0.344273
+2586 2 0.568101 0.559549 0.370982
+2599 1 0.652474 0.577604 0.59393
+2600 2 0.640483 0.581524 0.572824
+2601 2 0.625896 0.566008 0.604441
+2602 1 0.769115 0.628069 0.445835
+2603 2 0.782172 0.618255 0.426993
+2604 2 0.773633 0.654277 0.445022
+2605 1 0.597847 0.585862 0.540058
+2606 2 0.611513 0.600526 0.522757
+2607 2 0.597138 0.56028 0.53194
+2614 1 0.590822 0.519484 0.503778
+2615 2 0.559376 0.511954 0.496864
+2616 2 0.608133 0.527122 0.484873
+2620 1 0.514597 0.736781 0.605789
+2621 2 0.544784 0.751204 0.604269
+2626 1 0.587793 0.526312 0.610164
+2627 2 0.573077 0.512323 0.627316
+2628 2 0.55996 0.531898 0.596963
+3896 2 0.771614 0.888162 0.338225
+5004 2 0.944888 0.909462 0.654849
+2641 1 0.584944 0.670418 0.655885
+2906 2 0.577368 1.00034 0.36864
+4617 2 0.97346 0.500308 0.428533
+2743 1 0.507892 0.761035 0.359081
+2745 2 0.509723 0.739976 0.371758
+2749 1 0.567576 0.84464 0.418858
+2750 2 0.579632 0.835846 0.439189
+2751 2 0.579307 0.826256 0.404222
+2767 1 0.553666 0.687092 0.545699
+2768 2 0.563766 0.709478 0.535678
+2769 2 0.522873 0.695656 0.555141
+2770 1 0.531153 0.637451 0.499388
+2771 2 0.565056 0.629908 0.496225
+2772 2 0.530741 0.652643 0.517782
+2773 1 0.506041 0.76024 0.469045
+2776 1 0.554421 0.677127 0.444903
+2777 2 0.546486 0.666612 0.465053
+2778 2 0.566477 0.701649 0.448452
+2791 1 0.593352 0.741646 0.665646
+2793 2 0.587845 0.757833 0.647273
+2794 1 0.666841 0.749663 0.596164
+2795 2 0.679451 0.739586 0.615913
+2796 2 0.654396 0.729076 0.584163
+2797 1 0.588591 0.778282 0.611879
+2798 2 0.613396 0.769831 0.597619
+2799 2 0.590884 0.805228 0.610776
+3643 1 0.50875 0.529173 0.57394
+2911 1 0.511066 0.946509 0.423976
+2912 2 0.53109 0.930037 0.411505
+2919 2 0.548387 0.982385 0.425618
+3417 2 0.728929 0.497781 0.417328
+2930 2 0.525697 0.909055 0.471182
+2622 2 0.499296 0.734631 0.585293
+2935 1 0.610611 0.81207 0.539007
+2936 2 0.62874 0.831885 0.5506
+2937 2 0.578118 0.8148 0.545812
+2938 1 0.614219 0.893414 0.539425
+2939 2 0.580699 0.891844 0.545607
+2940 2 0.615493 0.902848 0.518548
+2941 1 0.518542 0.894182 0.544449
+2942 2 0.513842 0.895686 0.522646
+2944 1 0.508368 0.832 0.502199
+2946 2 0.505255 0.856378 0.493232
+2953 1 0.582429 0.856333 0.615668
+2954 2 0.550914 0.844239 0.618145
+2955 2 0.575094 0.882667 0.618351
+2962 1 0.714401 0.862729 0.641793
+2963 2 0.748639 0.866342 0.638536
+2964 2 0.704751 0.884929 0.652331
+2971 1 0.523889 0.827868 0.558924
+2972 2 0.520225 0.824003 0.536259
+2973 2 0.523045 0.854758 0.559314
+2977 1 0.54789 0.929246 0.61778
+2978 2 0.566866 0.947646 0.607103
+2979 2 0.525694 0.941891 0.632552
+2619 2 0.498695 0.607642 0.602836
+3114 2 0.723095 0.987541 0.370589
+3115 1 0.683019 0.958407 0.355021
+3116 2 0.660478 0.938617 0.348722
+3117 2 0.660885 0.97924 0.355043
+3118 1 0.672397 0.989148 0.517485
+3120 2 0.68643 0.9706 0.531059
+3130 1 0.836215 0.926794 0.596143
+3131 2 0.862653 0.911943 0.589819
+3132 2 0.852562 0.948276 0.60485
+3136 1 0.792825 0.979643 0.563121
+3137 2 0.804211 0.961235 0.577791
+3138 2 0.756698 0.977192 0.563102
+3139 1 0.691338 0.958582 0.60993
+3140 2 0.694538 0.944458 0.591004
+3141 2 0.694545 0.943203 0.627926
+3412 1 0.678685 0.50439 0.399767
+3413 2 0.672544 0.515571 0.3798
+3416 2 0.784687 0.506141 0.427924
+3421 1 0.926205 0.506506 0.350111
+3422 2 0.902466 0.511549 0.333325
+3447 2 0.92568 0.503792 0.574155
+1770 2 0.500297 0.652302 0.387619
+3466 1 0.734541 0.512281 0.54977
+2426 2 0.504889 0.528664 0.463912
+3469 1 0.689715 0.515034 0.644409
+3470 2 0.675043 0.498887 0.628482
+3471 2 0.708956 0.532163 0.632687
+3577 1 0.683703 0.690946 0.357163
+3578 2 0.665118 0.672105 0.346094
+3579 2 0.662597 0.706343 0.369627
+3580 1 0.610379 0.641133 0.405587
+3581 2 0.639282 0.629395 0.414563
+3582 2 0.595682 0.655996 0.421704
+3583 1 0.834084 0.591286 0.401535
+3584 2 0.847221 0.568602 0.409677
+3585 2 0.849895 0.610948 0.413584
+3586 1 0.831548 0.703253 0.361141
+3587 2 0.860745 0.693509 0.370666
+3588 2 0.828873 0.727692 0.370313
+3589 1 0.756892 0.68291 0.392816
+3590 2 0.785862 0.687269 0.380367
+3591 2 0.727784 0.684334 0.3799
+3592 1 0.741125 0.584987 0.388342
+3593 2 0.775159 0.584031 0.393176
+3594 2 0.73992 0.578775 0.366176
+3598 1 0.675768 0.60561 0.429366
+3599 2 0.70162 0.619908 0.438752
+3600 2 0.693015 0.591748 0.413354
+3601 1 0.913976 0.560677 0.455993
+3602 2 0.887563 0.542756 0.455206
+3603 2 0.931772 0.557126 0.435494
+3604 1 0.803226 0.525518 0.65063
+3605 2 0.774542 0.537234 0.643112
+3606 2 0.823886 0.544017 0.658788
+3607 1 0.790828 0.602005 0.577344
+3608 2 0.760178 0.61266 0.571466
+3609 2 0.80669 0.596736 0.557518
+3610 1 0.813121 0.519959 0.49675
+3611 2 0.82761 0.538159 0.511369
+3612 2 0.837944 0.504386 0.486611
+3613 1 0.648203 0.68744 0.477949
+3614 2 0.642392 0.7058 0.494074
+3615 2 0.665497 0.70069 0.461712
+3616 1 0.741389 0.562285 0.471389
+3617 2 0.756139 0.584188 0.463235
+3618 2 0.767192 0.546919 0.479409
+3622 1 0.736433 0.572299 0.621061
+3623 2 0.705335 0.573439 0.609728
+3624 2 0.76266 0.577036 0.606566
+3625 1 0.698677 0.634805 0.564651
+3626 2 0.696963 0.611047 0.553564
+3627 2 0.686827 0.62996 0.585487
+3628 1 0.766245 0.691206 0.611324
+3629 2 0.735805 0.678028 0.616207
+3630 2 0.760679 0.714106 0.600988
+3634 1 0.897964 0.629996 0.578038
+3635 2 0.878507 0.608227 0.578832
+3636 2 0.875677 0.650365 0.574947
+3637 1 0.827858 0.673072 0.658233
+3638 2 0.814384 0.688888 0.642325
+3647 2 0.747742 0.601953 0.649381
+3748 1 0.742152 0.774138 0.415783
+3749 2 0.751924 0.792364 0.43105
+3750 2 0.724231 0.757275 0.429207
+3751 1 0.820656 0.766122 0.386201
+3752 2 0.793332 0.760312 0.398965
+3753 2 0.839802 0.782578 0.399464
+3757 1 0.860073 0.793384 0.437014
+3758 2 0.882606 0.799285 0.454222
+3759 2 0.853256 0.76789 0.440151
+3766 1 0.597148 0.801456 0.370246
+3767 2 0.569737 0.786545 0.366157
+3768 2 0.60181 0.81441 0.350069
+3769 1 0.59672 0.761793 0.445083
+3770 2 0.6185 0.778943 0.4553
+3771 2 0.565232 0.764545 0.454447
+3772 1 0.571329 0.752783 0.517475
+3773 2 0.593714 0.772727 0.522523
+3774 2 0.547666 0.763081 0.503441
+3775 1 0.730109 0.717618 0.527319
+3776 2 0.748614 0.729847 0.543092
+3777 2 0.700685 0.709244 0.538215
+3778 1 0.765021 0.701208 0.46985
+3779 2 0.7572 0.707331 0.491552
+3780 2 0.734965 0.70537 0.458879
+3781 1 0.830247 0.81126 0.505896
+3782 2 0.837388 0.80139 0.527048
+3783 2 0.858211 0.806693 0.492521
+3784 1 0.708876 0.57782 0.53042
+3785 2 0.715994 0.571883 0.50871
+3786 2 0.721667 0.556028 0.540945
+3787 1 0.633185 0.737049 0.393258
+3788 2 0.615928 0.742912 0.412257
+3789 2 0.631852 0.758795 0.379878
+3790 1 0.650457 0.69473 0.550935
+3791 2 0.61786 0.687014 0.546582
+3792 2 0.667544 0.671394 0.554241
+3793 1 0.751273 0.846433 0.567779
+3794 2 0.762353 0.826033 0.580215
+3795 2 0.716832 0.849587 0.572231
+3802 1 0.839582 0.683729 0.574154
+3803 2 0.810733 0.684419 0.587806
+3804 2 0.860253 0.701616 0.582678
+3805 1 0.683652 0.739249 0.655614
+3806 2 0.649578 0.739472 0.661797
+4991 2 0.810441 0.82965 0.620327
+3811 1 0.538831 0.620571 0.575936
+3812 2 0.560226 0.601263 0.567117
+3813 2 0.551815 0.642347 0.567269
+3835 1 0.689244 0.660359 0.631211
+3836 2 0.704777 0.65265 0.650587
+3837 2 0.6553 0.66315 0.636097
+3913 1 0.72447 0.879501 0.397792
+3914 2 0.718118 0.898793 0.382994
+3915 2 0.726666 0.856799 0.38537
+3916 1 0.633897 0.946122 0.435017
+3917 2 0.626762 0.944535 0.457291
+3918 2 0.611721 0.965301 0.428279
+3919 1 0.816502 0.894473 0.367325
+3920 2 0.806683 0.883938 0.387266
+3921 2 0.833864 0.916945 0.373034
+3922 1 0.723485 0.964789 0.453248
+3923 2 0.694174 0.956859 0.441363
+3924 2 0.721745 0.950733 0.472524
+3928 1 0.730273 0.816677 0.369773
+3929 2 0.736932 0.797437 0.38478
+3930 2 0.748593 0.811253 0.350993
+3934 1 0.613298 0.916055 0.342829
+3935 2 0.594338 0.912519 0.362127
+3937 1 0.575137 0.908057 0.397117
+3938 2 0.569538 0.882531 0.404883
+3939 2 0.603529 0.916859 0.408996
+3942 2 0.711082 0.996727 0.627662
+3943 1 0.855013 0.990636 0.519359
+3944 2 0.834112 0.981658 0.536423
+3945 2 0.837198 0.985188 0.499601
+3946 1 0.727415 0.911264 0.498226
+3947 2 0.717062 0.895257 0.480395
+3948 2 0.755475 0.898844 0.507946
+3952 1 0.691308 0.777072 0.507348
+3953 2 0.66834 0.79106 0.520485
+3954 2 0.703713 0.756695 0.518988
+3955 1 0.620298 0.831409 0.471273
+3956 2 0.646105 0.849462 0.467001
+3957 2 0.621699 0.82565 0.493276
+3958 1 0.691888 0.932981 0.553969
+3959 2 0.706947 0.926138 0.534051
+3960 2 0.66527 0.916549 0.552344
+3961 1 0.810932 0.870184 0.632758
+3962 2 0.835702 0.871883 0.648163
+3963 2 0.814229 0.893072 0.62093
+3970 1 0.925985 0.903842 0.586157
+3971 2 0.935107 0.920712 0.569092
+3972 2 0.952517 0.887125 0.588335
+3976 1 0.758572 0.751144 0.581944
+3977 2 0.77628 0.770665 0.591478
+3978 2 0.725089 0.756622 0.588384
+3979 1 0.66762 0.844371 0.591196
+3980 2 0.637231 0.853012 0.60105
+3981 2 0.687631 0.849209 0.609077
+3982 1 0.967956 0.821797 0.658763
+3983 2 0.98305 0.844903 0.652707
+4123 1 0.817312 0.976946 0.461067
+4124 2 0.783352 0.974613 0.454686
+4125 2 0.833626 0.994664 0.447101
+4152 2 0.928619 1.00059 0.625675
+4567 1 0.824067 0.565686 0.336509
+4568 2 0.838845 0.569273 0.357092
+4586 2 0.922308 0.643909 0.339822
+4588 1 0.936962 0.658756 0.380241
+4589 2 0.941097 0.682959 0.389432
+4590 2 0.965936 0.644848 0.384942
+4597 1 0.919571 0.811605 0.366542
+4598 2 0.898954 0.819163 0.349015
+4599 2 0.916653 0.786345 0.369007
+4609 1 0.953509 0.556899 0.402504
+4610 2 0.950831 0.540098 0.384842
+4611 2 0.987235 0.567189 0.402013
+4612 1 0.847631 0.723965 0.452884
+4613 2 0.814764 0.715204 0.45835
+4614 2 0.868239 0.712465 0.468405
+5002 1 0.91173 0.908421 0.647084
+4618 1 0.905609 0.634987 0.443051
+4619 2 0.918316 0.636002 0.422121
+4620 2 0.91604 0.611865 0.452137
+4621 1 0.925473 0.688701 0.477274
+4622 2 0.953903 0.702516 0.470078
+4623 2 0.919471 0.668388 0.462922
+4627 1 0.853338 0.511472 0.4194
+4628 2 0.886488 0.50248 0.421501
+4629 2 0.8421 0.496091 0.402036
+4633 1 0.846059 0.574423 0.532392
+4634 2 0.839487 0.600279 0.525028
+4635 2 0.880447 0.573191 0.528482
+4644 2 0.999722 0.53643 0.588427
+4651 1 0.822645 0.518156 0.565102
+4652 2 0.787494 0.518777 0.560464
+4653 2 0.83406 0.540161 0.555078
+4673 2 0.909715 0.504065 0.660316
+4742 2 0.843349 0.86057 0.348318
+4755 2 0.803416 0.780137 0.350278
+4756 1 0.920378 0.864216 0.402746
+4757 2 0.887513 0.863882 0.410847
+4758 2 0.920579 0.841498 0.389587
+4760 2 0.973468 0.874244 0.386223
+4969 1 0.929722 0.99941 0.474481
+4777 1 0.753035 0.806056 0.468915
+4778 2 0.731095 0.792938 0.483289
+4779 2 0.783804 0.808078 0.480685
+4780 1 0.94588 0.678463 0.535417
+4781 2 0.937871 0.654832 0.544731
+4782 2 0.934722 0.67743 0.514058
+4786 1 0.91831 0.753833 0.515089
+4787 2 0.905802 0.75533 0.536142
+4788 2 0.924272 0.727905 0.512163
+4789 1 0.988605 0.853004 0.50645
+4790 2 0.989706 0.836457 0.524056
+1381 1 0.516622 0.506244 0.335077
+4792 1 0.93054 0.722619 0.409923
+4793 2 0.959441 0.726924 0.422207
+4794 2 0.902377 0.717364 0.423347
+4795 1 0.697179 0.711106 0.431727
+4796 2 0.681546 0.724504 0.415009
+4797 2 0.720121 0.695089 0.420441
+4801 1 0.859972 0.789233 0.560007
+4802 2 0.89082 0.789337 0.571207
+4803 2 0.837864 0.794535 0.577072
+4805 2 0.878863 0.65501 0.659099
+4806 2 0.927694 0.637333 0.648535
+5003 2 0.915966 0.90696 0.624618
+4816 1 0.963702 0.627144 0.623509
+4817 2 0.98533 0.607532 0.61904
+4818 2 0.939558 0.62703 0.606569
+4819 1 0.812667 0.637039 0.516167
+4820 2 0.808186 0.655646 0.532201
+4821 2 0.795333 0.643614 0.498902
+4822 1 0.936781 0.710253 0.587043
+4823 2 0.965489 0.700868 0.597479
+4824 2 0.940368 0.699367 0.565747
+4924 1 0.863949 0.953617 0.379329
+4925 2 0.880244 0.948002 0.399685
+4926 2 0.85025 0.977077 0.38124
+4942 1 0.917271 0.811349 0.481685
+4943 2 0.920642 0.789282 0.49437
+4944 2 0.934341 0.829742 0.493059
+4945 1 0.916664 0.9261 0.430134
+4946 2 0.896062 0.919581 0.447349
+4947 2 0.92166 0.902627 0.418519
+4951 1 0.945392 0.944432 0.538767
+4952 2 0.912472 0.950345 0.5365
+4953 2 0.95982 0.952119 0.518904
+4954 1 0.850453 0.913267 0.474029
+4955 2 0.835493 0.903479 0.493394
+4956 2 0.833728 0.93656 0.471499
+4963 1 0.699972 0.862766 0.455032
+4964 2 0.707699 0.868131 0.432958
+4965 2 0.716825 0.839939 0.460908
+4966 1 0.837255 0.866043 0.426486
+4967 2 0.832267 0.88467 0.442221
+4968 2 0.832314 0.843106 0.43761
+4992 2 0.838492 0.794622 0.625721
+4978 1 0.938644 0.777198 0.597908
+4979 2 0.919117 0.779675 0.617021
+4980 2 0.940257 0.750531 0.596011
+4981 1 0.882204 0.973472 0.640764
+4982 2 0.891622 0.949122 0.648866
+4983 2 0.853142 0.980579 0.652187
+4984 1 0.990186 0.805758 0.553237
+4986 2 0.969721 0.79721 0.570346
+4987 1 0.797522 0.878687 0.522023
+4988 2 0.81286 0.856084 0.51485
+4989 2 0.778353 0.871197 0.540604
+4990 1 0.813447 0.805062 0.611465
+2631 2 0.608935 0.620132 0.659305
+2643 2 0.552141 0.666867 0.65034
+944 2 1.00036 0.9945 0.648869
+4812 2 1.00006 0.663859 0.618577
+766 1 0.999516 0.717917 0.458413
+4962 2 0.999402 0.715526 0.537264
+3468 2 0.703675 0.501554 0.554077
+3639 2 0.79999 0.65673 0.662266
+2642 2 0.589796 0.697328 0.657242
+3646 1 0.757379 0.617388 0.667005
+5040 2 0.849269 0.907383 0.929568
+671 2 0.986789 0.587582 0.985385
+795 2 0.978272 0.721552 0.784598
+1004 2 0.998336 0.713473 0.883422
+5039 2 0.834208 0.919665 0.896826
+1642 1 0.614815 0.523126 0.843537
+1643 2 0.597715 0.522208 0.863127
+1644 2 0.648115 0.516878 0.848051
+1783 1 0.546415 0.698886 0.742622
+1784 2 0.565856 0.677472 0.748981
+1785 2 0.525176 0.688763 0.725975
+5038 1 0.840214 0.897929 0.909122
+2035 1 0.542203 0.99526 0.89866
+2037 2 0.532925 0.972298 0.889851
+4052 2 0.797097 0.998907 0.98246
+2506 1 0.637184 0.610424 0.840486
+2507 2 0.669277 0.607419 0.849431
+2508 2 0.637515 0.596525 0.821536
+2530 1 0.605357 0.591309 0.995771
+2531 2 0.626572 0.612668 0.998471
+4051 1 0.768383 0.998342 0.995299
+4663 1 0.997851 0.53151 0.814755
+2625 2 0.623057 0.513337 0.721754
+2629 1 0.60754 0.598203 0.671543
+2630 2 0.583393 0.605617 0.687085
+3693 2 0.880957 0.512105 0.753082
+5031 2 0.873586 0.998452 0.892063
+2633 2 0.519038 0.56717 0.690707
+3505 1 0.708556 0.510861 0.84115
+2646 2 0.511679 0.576953 0.842628
+2649 2 0.507872 0.505599 0.877045
+2650 1 0.631867 0.579683 0.783653
+2651 2 0.602288 0.564877 0.78512
+2652 2 0.656756 0.56143 0.784289
+2653 1 0.55753 0.587878 0.857109
+2654 2 0.55408 0.599725 0.877464
+2655 2 0.589603 0.595931 0.850598
+2662 1 0.682216 0.519749 0.783218
+2664 2 0.657313 0.516531 0.767383
+2674 1 0.742997 0.637907 0.815986
+2675 2 0.731852 0.631227 0.837156
+2676 2 0.753608 0.61488 0.806794
+2686 1 0.560239 0.510528 0.89737
+2687 2 0.57328 0.530422 0.909786
+2705 2 0.509816 0.640657 0.9894
+2792 2 0.5743 0.750564 0.683827
+2809 1 0.575784 0.636078 0.768829
+2810 2 0.596965 0.615992 0.775826
+2811 2 0.563199 0.649827 0.786776
+2815 1 0.537133 0.672779 0.812242
+2816 2 0.528119 0.697745 0.806107
+2817 2 0.565206 0.674449 0.825205
+2818 1 0.679765 0.711721 0.749761
+2819 2 0.712672 0.720504 0.748058
+2820 2 0.669432 0.715962 0.77104
+2821 1 0.534723 0.803114 0.835438
+2822 2 0.561086 0.820886 0.839609
+2823 2 0.544744 0.792179 0.816021
+2824 1 0.541275 0.604544 0.716799
+2825 2 0.552806 0.613623 0.736866
+2826 2 0.506317 0.603741 0.719879
+2827 1 0.558144 0.538768 0.797643
+2828 2 0.578413 0.526938 0.813751
+2829 2 0.532236 0.550066 0.810326
+2830 1 0.507227 0.768608 0.883385
+2832 2 0.522033 0.785371 0.867225
+2833 1 0.684076 0.747116 0.864129
+2834 2 0.710357 0.730409 0.859503
+2835 2 0.666386 0.746551 0.844331
+2836 1 0.641067 0.774355 0.98259
+2837 2 0.619001 0.772024 0.999524
+2838 2 0.645154 0.800098 0.979094
+2839 1 0.583499 0.734582 0.909451
+2840 2 0.552946 0.743756 0.900711
+2841 2 0.601896 0.756992 0.909401
+2842 1 0.681955 0.719023 0.955659
+2843 2 0.669386 0.739929 0.966265
+2844 2 0.705595 0.730779 0.942342
+2846 2 0.565647 0.682098 0.983487
+2848 1 0.538554 0.625742 0.911804
+2849 2 0.560155 0.644174 0.919316
+2850 2 0.53494 0.610202 0.929911
+2959 1 0.705892 0.928275 0.670122
+2960 2 0.714012 0.912986 0.687915
+2961 2 0.687806 0.950211 0.675695
+2968 1 0.605652 0.901408 0.708816
+2969 2 0.577582 0.899641 0.696126
+2970 2 0.616037 0.876709 0.71466
+2986 1 0.559581 0.93441 0.829209
+2987 2 0.547164 0.92653 0.848403
+2988 2 0.534441 0.950811 0.820603
+2992 1 0.530594 0.758694 0.708283
+2993 2 0.540775 0.741164 0.724283
+2994 2 0.535529 0.782832 0.718004
+3010 1 0.513249 0.924947 0.879621
+5037 2 0.621582 0.947134 0.827748
+5036 2 0.660852 0.974267 0.837065
+3151 1 0.66486 0.953306 0.936862
+3152 2 0.645336 0.935841 0.924251
+3153 2 0.698877 0.946046 0.93608
+3154 1 0.769638 0.985753 0.803104
+3155 2 0.753288 0.965445 0.791843
+3156 2 0.760088 0.984516 0.824856
+1005 2 0.999218 0.729076 0.91592
+3178 1 0.940791 0.995543 0.840848
+3179 2 0.921471 0.982584 0.856632
+3180 2 0.920533 0.990454 0.822707
+3460 1 0.630596 0.53247 0.688355
+3461 2 0.622815 0.558489 0.684321
+3507 2 0.69121 0.516325 0.822644
+3517 1 0.655713 0.561596 0.920103
+3518 2 0.622357 0.559871 0.926819
+3519 2 0.657612 0.58823 0.921077
+4870 1 0.985894 0.71534 0.950939
+3527 2 0.674146 0.523157 0.941063
+3538 1 0.750591 0.58743 0.977754
+3539 2 0.727264 0.576195 0.991744
+3540 2 0.760335 0.60978 0.988388
+3631 1 0.79892 0.572848 0.71657
+3632 2 0.822307 0.556657 0.726139
+3633 2 0.768831 0.560157 0.718144
+5034 2 0.976606 0.820207 0.83312
+3012 2 0.499297 0.90498 0.891659
+3648 2 0.773496 0.601405 0.681747
+3649 1 0.695757 0.611457 0.729771
+3650 2 0.676063 0.608333 0.748589
+3651 2 0.703393 0.58751 0.721579
+3652 1 0.615947 0.679223 0.844737
+3653 2 0.623771 0.653188 0.84256
+3654 2 0.617022 0.683145 0.866415
+3655 1 0.888448 0.697577 0.870139
+3656 2 0.876304 0.721471 0.874144
+3657 2 0.878198 0.682286 0.887106
+3661 1 0.767252 0.653016 0.759617
+3662 2 0.744504 0.642815 0.745062
+3663 2 0.750294 0.652688 0.779976
+3664 1 0.717957 0.54372 0.7136
+3665 2 0.685565 0.540782 0.705817
+3666 2 0.732395 0.51942 0.708667
+3670 1 0.75683 0.568703 0.803484
+3671 2 0.783157 0.554723 0.812586
+3672 2 0.738275 0.551576 0.791195
+3673 1 0.713894 0.619316 0.869073
+3674 2 0.696449 0.627531 0.887173
+3675 2 0.72907 0.596296 0.874908
+3676 1 0.673441 0.635085 0.920379
+3677 2 0.65291 0.654041 0.929226
+3678 2 0.706903 0.640938 0.926084
+3679 1 0.759945 0.656297 0.932784
+3680 2 0.781972 0.676772 0.926837
+3681 2 0.775568 0.632395 0.927493
+3682 1 0.792963 0.591028 0.918919
+3683 2 0.786059 0.587671 0.940809
+3684 2 0.768749 0.576192 0.908915
+3688 1 0.732668 0.554861 0.885914
+3689 2 0.706084 0.552104 0.900269
+3690 2 0.725151 0.537881 0.869461
+3691 1 0.863427 0.530316 0.740946
+3692 2 0.880829 0.553106 0.744104
+3694 1 0.572233 0.559452 0.946735
+3695 2 0.544819 0.54511 0.952494
+3696 2 0.584446 0.56894 0.966593
+3796 1 0.533474 0.821715 0.729008
+3797 2 0.504423 0.82552 0.715955
+3798 2 0.5254 0.833721 0.748656
+3799 1 0.626338 0.83528 0.730742
+3800 2 0.59409 0.824662 0.730118
+3801 2 0.645426 0.823022 0.714522
+1839 2 0.50553 0.800642 0.953937
+3808 1 0.680531 0.815144 0.687223
+3810 2 0.687217 0.789845 0.683636
+3814 1 0.719996 0.875002 0.712529
+3815 2 0.709127 0.852321 0.702926
+3816 2 0.695938 0.878305 0.728701
+3817 1 0.63963 0.725351 0.805421
+3818 2 0.63324 0.706461 0.820951
+3819 2 0.608679 0.734221 0.797653
+3820 1 0.808617 0.709584 0.924798
+3821 2 0.786157 0.730116 0.929143
+3822 2 0.830753 0.720702 0.909825
+3823 1 0.76074 0.708727 0.837132
+3824 2 0.791986 0.717216 0.828978
+3825 2 0.758097 0.683225 0.831032
+3826 1 0.703734 0.83634 0.80959
+3827 2 0.72669 0.81603 0.808908
+3828 2 0.690342 0.83547 0.788107
+3829 1 0.675001 0.882692 0.848862
+3830 2 0.667798 0.905655 0.838339
+3831 2 0.688915 0.86634 0.831703
+3832 1 0.700162 0.678746 0.698476
+3833 2 0.69946 0.6531 0.703065
+3834 2 0.682233 0.690266 0.71582
+3838 1 0.547572 0.74501 0.785452
+3839 2 0.54568 0.731522 0.765264
+3840 2 0.514684 0.754958 0.787336
+3841 1 0.751875 0.781335 0.805754
+3842 2 0.783166 0.771855 0.801131
+3843 2 0.730581 0.760035 0.802571
+3844 1 0.737885 0.757837 0.924408
+3845 2 0.762129 0.777359 0.92689
+3846 2 0.718802 0.766723 0.907266
+3850 1 0.932805 0.66382 0.971837
+3851 2 0.908517 0.65431 0.987579
+3852 2 0.960365 0.646775 0.974908
+3853 1 0.910932 0.851237 0.893869
+3854 2 0.88125 0.864235 0.897085
+3855 2 0.923709 0.866307 0.877531
+3856 1 0.850555 0.703264 0.97612
+3857 2 0.834472 0.705356 0.955458
+3858 2 0.878963 0.688512 0.970839
+3859 1 0.602317 0.681874 0.944088
+3860 2 0.632542 0.691033 0.951356
+3861 2 0.591479 0.702953 0.931274
+3862 1 0.746992 0.765791 0.991156
+3863 2 0.735894 0.767485 0.969851
+3880 1 0.6388 0.857298 0.995289
+3881 2 0.619953 0.861379 0.975653
+3884 2 0.509965 0.93253 0.985745
+3886 1 0.750171 0.928433 0.945635
+3887 2 0.73868 0.902354 0.94387
+3888 2 0.758676 0.93 0.967879
+3967 1 0.803842 0.847556 0.72271
+3968 2 0.824738 0.861995 0.708962
+3969 2 0.771456 0.855572 0.718648
+3984 2 0.9758 0.819918 0.681237
+3985 1 0.660915 0.98605 0.683996
+3986 2 0.671446 0.995342 0.704093
+4639 1 0.995833 0.543031 0.735334
+3989 2 0.762258 0.990499 0.879553
+3994 1 0.710577 0.940491 0.775174
+3995 2 0.697037 0.957263 0.75977
+3996 2 0.685616 0.936336 0.790331
+4000 1 0.611831 0.956848 0.752582
+4001 2 0.608708 0.941826 0.733493
+4002 2 0.602214 0.941377 0.76905
+4009 1 0.645483 0.966192 0.995745
+4010 2 0.654672 0.964914 0.973342
+670 1 0.995158 0.613838 0.984098
+4018 1 0.721023 0.832602 0.893701
+4019 2 0.705059 0.850018 0.880573
+4020 2 0.733154 0.845635 0.912356
+4021 1 0.714923 0.861531 0.959354
+4022 2 0.739398 0.854187 0.975136
+4023 2 0.684796 0.858058 0.971352
+4024 1 0.644181 0.792903 0.897812
+4025 2 0.673833 0.808443 0.898597
+4026 2 0.651007 0.771086 0.885121
+4027 1 0.60657 0.838977 0.858116
+4028 2 0.629774 0.858828 0.854271
+4029 2 0.62131 0.820939 0.872331
+4030 1 0.620338 0.905399 0.898317
+4031 2 0.594096 0.918239 0.888305
+4032 2 0.642211 0.898879 0.881261
+4053 2 0.764552 0.972774 1.00122
+4133 2 0.886158 0.999361 0.710119
+4153 1 0.861006 0.966687 0.807528
+4154 2 0.827057 0.973255 0.804549
+4155 2 0.860728 0.940905 0.813071
+3462 2 0.654591 0.52973 0.671868
+4641 2 0.989945 0.517541 0.740466
+4165 1 0.852432 0.893453 0.820676
+4166 2 0.827945 0.89599 0.804402
+4167 2 0.849877 0.867998 0.82753
+4168 1 0.951542 0.976257 0.711734
+4169 2 0.952916 0.992934 0.729572
+4170 2 0.945825 0.952998 0.720363
+4171 1 0.793558 0.950593 0.67055
+4172 2 0.803564 0.938485 0.689781
+4173 2 0.759119 0.947611 0.669277
+4174 1 0.86078 0.891319 0.691943
+4175 2 0.878154 0.89218 0.711092
+4176 2 0.882053 0.896795 0.67402
+4195 1 0.847542 0.986186 0.961505
+4197 2 0.853501 0.960348 0.965242
+4369 1 0.950517 0.504134 0.940824
+4370 2 0.967287 0.520814 0.955378
+4552 1 0.942706 0.609872 0.902209
+4553 2 0.91131 0.620606 0.899873
+4554 2 0.945912 0.603659 0.924163
+4555 1 0.762785 0.671339 0.996004
+4557 2 0.750853 0.667027 0.974741
+4636 1 0.948707 0.708252 0.702007
+4637 2 0.959151 0.683331 0.70454
+4638 2 0.968452 0.716324 0.684884
+4645 1 0.964769 0.625155 0.712419
+4646 2 0.947052 0.609146 0.727392
+4647 2 0.943181 0.627698 0.694379
+4650 2 0.985454 0.532581 0.67258
+4654 1 0.864903 0.580215 0.674106
+4655 2 0.883346 0.602184 0.67137
+4656 2 0.841581 0.584859 0.690368
+4657 1 0.922235 0.574 0.811928
+4658 2 0.911934 0.5981 0.81862
+4659 2 0.894963 0.558038 0.817562
+4660 1 0.839981 0.536529 0.837294
+4661 2 0.816352 0.538663 0.852794
+4662 2 0.838782 0.50991 0.83526
+4664 2 0.982176 0.509074 0.822569
+4665 2 0.970503 0.548551 0.81196
+4669 1 0.878591 0.645561 0.829219
+4670 2 0.880018 0.668565 0.840252
+4671 2 0.862894 0.651014 0.809219
+4672 1 0.927749 0.520579 0.673916
+4674 2 0.903585 0.538359 0.678737
+4681 1 0.85806 0.634844 0.891553
+4682 2 0.853203 0.628896 0.869889
+4683 2 0.834158 0.621557 0.902695
+4684 1 0.97625 0.790589 0.864321
+4685 2 0.948459 0.801085 0.875439
+4686 2 0.987193 0.770135 0.877609
+4687 1 0.897708 0.564721 0.966782
+4688 2 0.864967 0.557445 0.962982
+4689 2 0.902877 0.555098 0.987746
+4690 1 0.949448 0.52073 0.88463
+4691 2 0.95335 0.514053 0.907201
+4692 2 0.931152 0.542606 0.884291
+4702 1 0.808462 0.529555 0.964108
+4703 2 0.77687 0.539065 0.963926
+4704 2 0.809285 0.509844 0.948836
+4705 1 0.783421 0.840635 0.998073
+4714 1 0.986515 0.812093 0.972432
+4715 2 0.989082 0.787 0.980523
+4717 1 0.89467 0.804754 0.939021
+4718 2 0.90542 0.82155 0.922893
+4719 2 0.922015 0.803998 0.953301
+4723 1 0.800421 0.805726 0.942261
+4724 2 0.796913 0.824043 0.958772
+4725 2 0.83423 0.799545 0.942019
+4726 1 0.920205 0.866929 0.989135
+4727 2 0.940455 0.887885 0.996531
+4728 2 0.943889 0.848477 0.983294
+4804 1 0.90735 0.641843 0.666772
+4825 1 0.833586 0.731145 0.807288
+4826 2 0.842551 0.710926 0.793727
+4827 2 0.861798 0.747523 0.805789
+4828 1 0.844294 0.82472 0.831882
+4829 2 0.827216 0.805493 0.843185
+4830 2 0.869081 0.812854 0.819303
+4831 1 0.939137 0.692773 0.801418
+4832 2 0.907925 0.682494 0.794952
+4833 2 0.949433 0.679224 0.819195
+4834 1 0.922304 0.58097 0.755517
+4835 2 0.950246 0.563832 0.750996
+4836 2 0.922445 0.582403 0.778858
+4837 1 0.942379 0.891427 0.849067
+4838 2 0.910142 0.894822 0.839677
+4839 2 0.958494 0.876347 0.832928
+4840 1 0.857159 0.701874 0.711018
+4841 2 0.845719 0.69089 0.69163
+4842 2 0.89249 0.702283 0.7088
+4843 1 0.824147 0.78541 0.707924
+4844 2 0.801702 0.768254 0.717372
+4845 2 0.817033 0.81012 0.715499
+4846 1 0.775221 0.72451 0.726203
+4847 2 0.755046 0.708608 0.713363
+4848 2 0.807719 0.71525 0.723468
+4849 1 0.785033 0.785352 0.864399
+4850 2 0.764239 0.782942 0.84548
+4851 2 0.766431 0.802692 0.876116
+4852 1 0.855058 0.760303 0.894322
+4853 2 0.829298 0.766858 0.879487
+4854 2 0.86024 0.782511 0.906512
+4864 1 0.970502 0.665809 0.86422
+4865 2 0.940448 0.678789 0.865014
+4866 2 0.966176 0.645972 0.878264
+4867 1 0.855099 0.670555 0.773138
+4868 2 0.821754 0.66183 0.7692
+4869 2 0.865856 0.677837 0.752662
+5035 1 0.655775 0.951893 0.824856
+4872 2 0.966302 0.693524 0.956182
+4888 1 0.861267 0.916791 0.962857
+4889 2 0.830425 0.912035 0.973233
+4890 2 0.884321 0.901352 0.972643
+4891 1 0.605706 0.855647 0.939929
+4892 2 0.609583 0.834983 0.92654
+4893 2 0.608714 0.877599 0.926045
+4975 1 0.908417 0.786403 0.799001
+4976 2 0.912159 0.77849 0.777315
+4977 2 0.929857 0.80696 0.798427
+4993 1 0.942629 0.879575 0.726929
+4994 2 0.975695 0.880434 0.734249
+4995 2 0.941695 0.856641 0.715093
+4996 1 0.788727 0.901335 0.774671
+4997 2 0.788525 0.880746 0.760112
+4998 2 0.757357 0.912503 0.775583
+5006 2 0.987562 0.922955 0.861363
+5008 1 0.919232 0.762344 0.738758
+5009 2 0.932791 0.742364 0.726433
+5010 2 0.887772 0.767033 0.729333
+5012 2 0.864221 0.788227 0.670021
+5014 1 0.975577 0.813319 0.719892
+5015 2 0.954634 0.796908 0.731394
+5017 1 0.79467 0.970146 0.907765
+5018 2 0.810976 0.985062 0.923309
+5019 2 0.777215 0.951898 0.920606
+5023 1 0.968598 0.904682 0.92313
+5024 2 0.950211 0.883333 0.917276
+5025 2 0.977626 0.917854 0.904443
+5029 1 0.897061 0.97856 0.892685
+5030 2 0.916642 0.981678 0.910812
+5032 1 0.979787 0.835189 0.813897
+1674 2 0.503161 0.578602 0.99663
+4871 2 0.987997 0.730237 0.969933
+945 2 0.989553 0.977463 0.681399
+2831 2 0.496372 0.782035 0.901138
+3015 2 0.589151 0.93803 0.997067
+3848 2 0.846872 0.734769 0.999888
+4556 2 0.791955 0.68513 0.992761
+3807 2 0.697051 0.720109 0.669104
+2658 2 0.534343 0.518374 0.669496
+3809 2 0.691508 0.827413 0.668514
diff --git a/tools/lmp2traj/examples/lmp2traj_inp.txt b/tools/lmp2traj/examples/lmp2traj_inp.txt
new file mode 100644
index 0000000000..02c6517d0a
--- /dev/null
+++ b/tools/lmp2traj/examples/lmp2traj_inp.txt
@@ -0,0 +1,26 @@
+'dump.atom'
+1
+3
+29.00000
+38.26120
+44.79980
+90.
+90.
+90.
+49708.7291
+1
+2
+0.
+2.
+0.
+2
+'Bulk (1) O-water'
+1
+'o*'
+18.6
+21.0
+'Bulk (1) H-water'
+2
+'h*'
+18.1
+21.5
diff --git a/tools/lmp2traj/examples/output/dump-ang.txt b/tools/lmp2traj/examples/output/dump-ang.txt
new file mode 100644
index 0000000000..be48e8fa05
--- /dev/null
+++ b/tools/lmp2traj/examples/output/dump-ang.txt
@@ -0,0 +1,6002 @@
+ After analysis of 3 configurations:
+ angle z angdis
+ -88.500 0.224 0.000
+ -88.500 0.672 0.000
+ -88.500 1.120 0.000
+ -88.500 1.568 0.000
+ -88.500 2.016 0.000
+ -88.500 2.464 0.000
+ -88.500 2.912 0.000
+ -88.500 3.360 0.000
+ -88.500 3.808 0.000
+ -88.500 4.256 0.000
+ -88.500 4.704 0.000
+ -88.500 5.152 0.000
+ -88.500 5.600 0.000
+ -88.500 6.048 0.000
+ -88.500 6.496 0.000
+ -88.500 6.944 0.000
+ -88.500 7.392 0.000
+ -88.500 7.840 0.000
+ -88.500 8.288 0.000
+ -88.500 8.736 0.000
+ -88.500 9.184 0.000
+ -88.500 9.632 0.000
+ -88.500 10.080 0.000
+ -88.500 10.528 0.000
+ -88.500 10.976 0.000
+ -88.500 11.424 0.000
+ -88.500 11.872 0.000
+ -88.500 12.320 0.000
+ -88.500 12.768 0.000
+ -88.500 13.216 0.000
+ -88.500 13.664 0.000
+ -88.500 14.112 0.000
+ -88.500 14.560 0.000
+ -88.500 15.008 0.000
+ -88.500 15.456 0.000
+ -88.500 15.904 0.000
+ -88.500 16.352 0.000
+ -88.500 16.800 0.000
+ -88.500 17.248 0.000
+ -88.500 17.696 0.000
+ -88.500 18.144 0.000
+ -88.500 18.592 0.000
+ -88.500 19.040 0.000
+ -88.500 19.488 0.000
+ -88.500 19.936 0.000
+ -88.500 20.384 0.000
+ -88.500 20.832 0.000
+ -88.500 21.280 0.000
+ -88.500 21.728 0.000
+ -88.500 22.176 0.000
+ -88.500 22.624 0.000
+ -88.500 23.072 0.000
+ -88.500 23.520 0.000
+ -88.500 23.968 0.000
+ -88.500 24.416 0.000
+ -88.500 24.864 0.000
+ -88.500 25.312 0.000
+ -88.500 25.760 0.000
+ -88.500 26.208 0.000
+ -88.500 26.656 0.000
+ -88.500 27.104 0.000
+ -88.500 27.552 0.000
+ -88.500 28.000 0.000
+ -88.500 28.448 0.000
+ -88.500 28.896 0.000
+ -88.500 29.344 0.000
+ -88.500 29.792 0.000
+ -88.500 30.240 0.000
+ -88.500 30.688 0.000
+ -88.500 31.136 0.000
+ -88.500 31.584 0.000
+ -88.500 32.032 0.000
+ -88.500 32.480 0.000
+ -88.500 32.928 0.000
+ -88.500 33.376 0.000
+ -88.500 33.824 0.000
+ -88.500 34.272 0.000
+ -88.500 34.720 0.000
+ -88.500 35.168 0.000
+ -88.500 35.616 0.000
+ -88.500 36.064 0.000
+ -88.500 36.512 0.000
+ -88.500 36.960 0.000
+ -88.500 37.408 0.000
+ -88.500 37.856 0.000
+ -88.500 38.304 0.000
+ -88.500 38.752 0.000
+ -88.500 39.200 0.000
+ -88.500 39.648 0.000
+ -88.500 40.096 0.000
+ -88.500 40.544 0.000
+ -88.500 40.992 0.000
+ -88.500 41.440 0.000
+ -88.500 41.888 0.000
+ -88.500 42.336 0.000
+ -88.500 42.784 0.000
+ -88.500 43.232 0.000
+ -88.500 43.680 0.000
+ -88.500 44.128 0.000
+ -88.500 44.576 0.000
+ -85.500 0.224 0.000
+ -85.500 0.672 0.000
+ -85.500 1.120 0.000
+ -85.500 1.568 0.000
+ -85.500 2.016 0.000
+ -85.500 2.464 0.000
+ -85.500 2.912 0.000
+ -85.500 3.360 0.000
+ -85.500 3.808 0.000
+ -85.500 4.256 0.000
+ -85.500 4.704 0.000
+ -85.500 5.152 0.000
+ -85.500 5.600 0.000
+ -85.500 6.048 0.000
+ -85.500 6.496 0.000
+ -85.500 6.944 0.000
+ -85.500 7.392 0.000
+ -85.500 7.840 0.000
+ -85.500 8.288 0.000
+ -85.500 8.736 0.000
+ -85.500 9.184 0.000
+ -85.500 9.632 0.000
+ -85.500 10.080 0.000
+ -85.500 10.528 0.000
+ -85.500 10.976 0.000
+ -85.500 11.424 0.000
+ -85.500 11.872 0.000
+ -85.500 12.320 0.000
+ -85.500 12.768 0.000
+ -85.500 13.216 0.000
+ -85.500 13.664 0.000
+ -85.500 14.112 0.000
+ -85.500 14.560 0.000
+ -85.500 15.008 0.000
+ -85.500 15.456 0.000
+ -85.500 15.904 0.000
+ -85.500 16.352 0.000
+ -85.500 16.800 0.000
+ -85.500 17.248 0.000
+ -85.500 17.696 0.000
+ -85.500 18.144 0.000
+ -85.500 18.592 0.000
+ -85.500 19.040 0.000
+ -85.500 19.488 0.000
+ -85.500 19.936 0.000
+ -85.500 20.384 0.000
+ -85.500 20.832 0.000
+ -85.500 21.280 0.000
+ -85.500 21.728 0.000
+ -85.500 22.176 0.000
+ -85.500 22.624 0.000
+ -85.500 23.072 0.000
+ -85.500 23.520 0.000
+ -85.500 23.968 0.000
+ -85.500 24.416 0.000
+ -85.500 24.864 0.000
+ -85.500 25.312 0.000
+ -85.500 25.760 0.000
+ -85.500 26.208 0.000
+ -85.500 26.656 0.000
+ -85.500 27.104 0.000
+ -85.500 27.552 0.000
+ -85.500 28.000 0.000
+ -85.500 28.448 0.000
+ -85.500 28.896 0.000
+ -85.500 29.344 0.000
+ -85.500 29.792 0.000
+ -85.500 30.240 0.000
+ -85.500 30.688 0.000
+ -85.500 31.136 0.000
+ -85.500 31.584 0.000
+ -85.500 32.032 0.000
+ -85.500 32.480 0.000
+ -85.500 32.928 0.000
+ -85.500 33.376 0.000
+ -85.500 33.824 0.000
+ -85.500 34.272 0.000
+ -85.500 34.720 0.000
+ -85.500 35.168 0.000
+ -85.500 35.616 0.000
+ -85.500 36.064 0.000
+ -85.500 36.512 0.000
+ -85.500 36.960 0.000
+ -85.500 37.408 0.000
+ -85.500 37.856 0.000
+ -85.500 38.304 0.000
+ -85.500 38.752 0.000
+ -85.500 39.200 0.000
+ -85.500 39.648 0.000
+ -85.500 40.096 0.000
+ -85.500 40.544 0.000
+ -85.500 40.992 0.000
+ -85.500 41.440 0.000
+ -85.500 41.888 0.000
+ -85.500 42.336 0.000
+ -85.500 42.784 0.000
+ -85.500 43.232 0.000
+ -85.500 43.680 0.000
+ -85.500 44.128 0.000
+ -85.500 44.576 0.000
+ -82.500 0.224 0.000
+ -82.500 0.672 0.000
+ -82.500 1.120 0.000
+ -82.500 1.568 0.000
+ -82.500 2.016 0.000
+ -82.500 2.464 0.000
+ -82.500 2.912 0.000
+ -82.500 3.360 0.000
+ -82.500 3.808 0.000
+ -82.500 4.256 0.000
+ -82.500 4.704 0.000
+ -82.500 5.152 0.000
+ -82.500 5.600 0.000
+ -82.500 6.048 0.000
+ -82.500 6.496 0.000
+ -82.500 6.944 0.000
+ -82.500 7.392 0.000
+ -82.500 7.840 0.000
+ -82.500 8.288 0.000
+ -82.500 8.736 0.000
+ -82.500 9.184 0.000
+ -82.500 9.632 0.000
+ -82.500 10.080 0.000
+ -82.500 10.528 0.000
+ -82.500 10.976 0.000
+ -82.500 11.424 0.000
+ -82.500 11.872 0.000
+ -82.500 12.320 0.000
+ -82.500 12.768 0.000
+ -82.500 13.216 0.000
+ -82.500 13.664 0.000
+ -82.500 14.112 0.000
+ -82.500 14.560 0.000
+ -82.500 15.008 0.000
+ -82.500 15.456 0.000
+ -82.500 15.904 0.000
+ -82.500 16.352 0.000
+ -82.500 16.800 0.000
+ -82.500 17.248 0.000
+ -82.500 17.696 0.000
+ -82.500 18.144 0.000
+ -82.500 18.592 0.000
+ -82.500 19.040 0.000
+ -82.500 19.488 0.000
+ -82.500 19.936 0.000
+ -82.500 20.384 0.000
+ -82.500 20.832 0.000
+ -82.500 21.280 0.000
+ -82.500 21.728 0.000
+ -82.500 22.176 0.000
+ -82.500 22.624 0.000
+ -82.500 23.072 0.000
+ -82.500 23.520 0.000
+ -82.500 23.968 0.000
+ -82.500 24.416 0.000
+ -82.500 24.864 0.000
+ -82.500 25.312 0.000
+ -82.500 25.760 0.000
+ -82.500 26.208 0.000
+ -82.500 26.656 0.000
+ -82.500 27.104 0.000
+ -82.500 27.552 0.000
+ -82.500 28.000 0.000
+ -82.500 28.448 0.000
+ -82.500 28.896 0.000
+ -82.500 29.344 0.000
+ -82.500 29.792 0.000
+ -82.500 30.240 0.000
+ -82.500 30.688 0.000
+ -82.500 31.136 0.000
+ -82.500 31.584 0.000
+ -82.500 32.032 0.000
+ -82.500 32.480 0.000
+ -82.500 32.928 0.000
+ -82.500 33.376 0.000
+ -82.500 33.824 0.000
+ -82.500 34.272 0.000
+ -82.500 34.720 0.000
+ -82.500 35.168 0.000
+ -82.500 35.616 0.000
+ -82.500 36.064 0.000
+ -82.500 36.512 0.000
+ -82.500 36.960 0.000
+ -82.500 37.408 0.000
+ -82.500 37.856 0.000
+ -82.500 38.304 0.000
+ -82.500 38.752 0.000
+ -82.500 39.200 0.000
+ -82.500 39.648 0.000
+ -82.500 40.096 0.000
+ -82.500 40.544 0.000
+ -82.500 40.992 0.000
+ -82.500 41.440 0.000
+ -82.500 41.888 0.000
+ -82.500 42.336 0.000
+ -82.500 42.784 0.000
+ -82.500 43.232 0.000
+ -82.500 43.680 0.000
+ -82.500 44.128 0.000
+ -82.500 44.576 0.000
+ -79.500 0.224 0.000
+ -79.500 0.672 0.000
+ -79.500 1.120 0.000
+ -79.500 1.568 0.000
+ -79.500 2.016 0.000
+ -79.500 2.464 0.000
+ -79.500 2.912 0.000
+ -79.500 3.360 0.000
+ -79.500 3.808 0.000
+ -79.500 4.256 0.000
+ -79.500 4.704 0.000
+ -79.500 5.152 0.000
+ -79.500 5.600 0.000
+ -79.500 6.048 0.000
+ -79.500 6.496 0.000
+ -79.500 6.944 0.000
+ -79.500 7.392 0.000
+ -79.500 7.840 0.000
+ -79.500 8.288 0.000
+ -79.500 8.736 0.000
+ -79.500 9.184 0.000
+ -79.500 9.632 0.000
+ -79.500 10.080 0.000
+ -79.500 10.528 0.000
+ -79.500 10.976 0.000
+ -79.500 11.424 0.000
+ -79.500 11.872 0.000
+ -79.500 12.320 0.000
+ -79.500 12.768 0.000
+ -79.500 13.216 0.000
+ -79.500 13.664 0.000
+ -79.500 14.112 0.000
+ -79.500 14.560 0.000
+ -79.500 15.008 0.000
+ -79.500 15.456 0.000
+ -79.500 15.904 0.000
+ -79.500 16.352 0.000
+ -79.500 16.800 0.000
+ -79.500 17.248 0.000
+ -79.500 17.696 0.000
+ -79.500 18.144 0.000
+ -79.500 18.592 0.000
+ -79.500 19.040 0.000
+ -79.500 19.488 0.000
+ -79.500 19.936 0.000
+ -79.500 20.384 0.000
+ -79.500 20.832 0.000
+ -79.500 21.280 0.000
+ -79.500 21.728 0.000
+ -79.500 22.176 0.000
+ -79.500 22.624 0.000
+ -79.500 23.072 0.000
+ -79.500 23.520 0.000
+ -79.500 23.968 0.000
+ -79.500 24.416 0.000
+ -79.500 24.864 0.000
+ -79.500 25.312 0.000
+ -79.500 25.760 0.000
+ -79.500 26.208 0.000
+ -79.500 26.656 0.000
+ -79.500 27.104 0.000
+ -79.500 27.552 0.000
+ -79.500 28.000 0.000
+ -79.500 28.448 0.000
+ -79.500 28.896 0.000
+ -79.500 29.344 0.000
+ -79.500 29.792 0.000
+ -79.500 30.240 0.000
+ -79.500 30.688 0.000
+ -79.500 31.136 0.000
+ -79.500 31.584 0.000
+ -79.500 32.032 0.000
+ -79.500 32.480 0.000
+ -79.500 32.928 0.000
+ -79.500 33.376 0.000
+ -79.500 33.824 0.000
+ -79.500 34.272 0.000
+ -79.500 34.720 0.000
+ -79.500 35.168 0.000
+ -79.500 35.616 0.000
+ -79.500 36.064 0.000
+ -79.500 36.512 0.000
+ -79.500 36.960 0.000
+ -79.500 37.408 0.000
+ -79.500 37.856 0.000
+ -79.500 38.304 0.000
+ -79.500 38.752 0.000
+ -79.500 39.200 0.000
+ -79.500 39.648 0.000
+ -79.500 40.096 0.000
+ -79.500 40.544 0.000
+ -79.500 40.992 0.000
+ -79.500 41.440 0.000
+ -79.500 41.888 0.000
+ -79.500 42.336 0.000
+ -79.500 42.784 0.000
+ -79.500 43.232 0.000
+ -79.500 43.680 0.000
+ -79.500 44.128 0.000
+ -79.500 44.576 0.000
+ -76.500 0.224 0.000
+ -76.500 0.672 0.000
+ -76.500 1.120 0.000
+ -76.500 1.568 0.000
+ -76.500 2.016 0.000
+ -76.500 2.464 0.000
+ -76.500 2.912 0.000
+ -76.500 3.360 0.000
+ -76.500 3.808 0.000
+ -76.500 4.256 0.000
+ -76.500 4.704 0.000
+ -76.500 5.152 0.000
+ -76.500 5.600 0.000
+ -76.500 6.048 0.000
+ -76.500 6.496 0.000
+ -76.500 6.944 0.000
+ -76.500 7.392 0.000
+ -76.500 7.840 0.000
+ -76.500 8.288 0.000
+ -76.500 8.736 0.000
+ -76.500 9.184 0.000
+ -76.500 9.632 0.000
+ -76.500 10.080 0.000
+ -76.500 10.528 0.000
+ -76.500 10.976 0.000
+ -76.500 11.424 0.000
+ -76.500 11.872 0.000
+ -76.500 12.320 0.000
+ -76.500 12.768 0.000
+ -76.500 13.216 0.000
+ -76.500 13.664 0.000
+ -76.500 14.112 0.000
+ -76.500 14.560 0.000
+ -76.500 15.008 0.000
+ -76.500 15.456 0.000
+ -76.500 15.904 0.000
+ -76.500 16.352 0.000
+ -76.500 16.800 0.000
+ -76.500 17.248 0.000
+ -76.500 17.696 0.000
+ -76.500 18.144 0.000
+ -76.500 18.592 0.000
+ -76.500 19.040 0.000
+ -76.500 19.488 0.000
+ -76.500 19.936 0.000
+ -76.500 20.384 0.000
+ -76.500 20.832 0.000
+ -76.500 21.280 0.000
+ -76.500 21.728 0.000
+ -76.500 22.176 0.000
+ -76.500 22.624 0.000
+ -76.500 23.072 0.000
+ -76.500 23.520 0.000
+ -76.500 23.968 0.000
+ -76.500 24.416 0.000
+ -76.500 24.864 0.000
+ -76.500 25.312 0.000
+ -76.500 25.760 0.000
+ -76.500 26.208 0.000
+ -76.500 26.656 0.000
+ -76.500 27.104 0.000
+ -76.500 27.552 0.000
+ -76.500 28.000 0.000
+ -76.500 28.448 0.000
+ -76.500 28.896 0.000
+ -76.500 29.344 0.000
+ -76.500 29.792 0.000
+ -76.500 30.240 0.000
+ -76.500 30.688 0.000
+ -76.500 31.136 0.000
+ -76.500 31.584 0.000
+ -76.500 32.032 0.000
+ -76.500 32.480 0.000
+ -76.500 32.928 0.000
+ -76.500 33.376 0.000
+ -76.500 33.824 0.000
+ -76.500 34.272 0.000
+ -76.500 34.720 0.000
+ -76.500 35.168 0.000
+ -76.500 35.616 0.000
+ -76.500 36.064 0.000
+ -76.500 36.512 0.000
+ -76.500 36.960 0.000
+ -76.500 37.408 0.000
+ -76.500 37.856 0.000
+ -76.500 38.304 0.000
+ -76.500 38.752 0.000
+ -76.500 39.200 0.000
+ -76.500 39.648 0.000
+ -76.500 40.096 0.000
+ -76.500 40.544 0.000
+ -76.500 40.992 0.000
+ -76.500 41.440 0.000
+ -76.500 41.888 0.000
+ -76.500 42.336 0.000
+ -76.500 42.784 0.000
+ -76.500 43.232 0.000
+ -76.500 43.680 0.000
+ -76.500 44.128 0.000
+ -76.500 44.576 0.000
+ -73.500 0.224 0.000
+ -73.500 0.672 0.000
+ -73.500 1.120 0.000
+ -73.500 1.568 0.000
+ -73.500 2.016 0.000
+ -73.500 2.464 0.000
+ -73.500 2.912 0.000
+ -73.500 3.360 0.000
+ -73.500 3.808 0.000
+ -73.500 4.256 0.000
+ -73.500 4.704 0.000
+ -73.500 5.152 0.000
+ -73.500 5.600 0.000
+ -73.500 6.048 0.000
+ -73.500 6.496 0.000
+ -73.500 6.944 0.000
+ -73.500 7.392 0.000
+ -73.500 7.840 0.000
+ -73.500 8.288 0.000
+ -73.500 8.736 0.000
+ -73.500 9.184 0.000
+ -73.500 9.632 0.000
+ -73.500 10.080 0.000
+ -73.500 10.528 0.000
+ -73.500 10.976 0.000
+ -73.500 11.424 0.000
+ -73.500 11.872 0.000
+ -73.500 12.320 0.000
+ -73.500 12.768 0.000
+ -73.500 13.216 0.000
+ -73.500 13.664 0.000
+ -73.500 14.112 0.000
+ -73.500 14.560 0.000
+ -73.500 15.008 0.000
+ -73.500 15.456 0.000
+ -73.500 15.904 0.000
+ -73.500 16.352 0.000
+ -73.500 16.800 0.000
+ -73.500 17.248 0.000
+ -73.500 17.696 0.000
+ -73.500 18.144 0.000
+ -73.500 18.592 0.000
+ -73.500 19.040 0.000
+ -73.500 19.488 0.000
+ -73.500 19.936 0.000
+ -73.500 20.384 0.000
+ -73.500 20.832 0.000
+ -73.500 21.280 0.000
+ -73.500 21.728 0.000
+ -73.500 22.176 0.000
+ -73.500 22.624 0.000
+ -73.500 23.072 0.000
+ -73.500 23.520 0.000
+ -73.500 23.968 0.000
+ -73.500 24.416 0.000
+ -73.500 24.864 0.000
+ -73.500 25.312 0.000
+ -73.500 25.760 0.000
+ -73.500 26.208 0.000
+ -73.500 26.656 0.000
+ -73.500 27.104 0.000
+ -73.500 27.552 0.000
+ -73.500 28.000 0.000
+ -73.500 28.448 0.000
+ -73.500 28.896 0.000
+ -73.500 29.344 0.000
+ -73.500 29.792 0.000
+ -73.500 30.240 0.000
+ -73.500 30.688 0.000
+ -73.500 31.136 0.000
+ -73.500 31.584 0.000
+ -73.500 32.032 0.000
+ -73.500 32.480 0.000
+ -73.500 32.928 0.000
+ -73.500 33.376 0.000
+ -73.500 33.824 0.000
+ -73.500 34.272 0.000
+ -73.500 34.720 0.000
+ -73.500 35.168 0.000
+ -73.500 35.616 0.000
+ -73.500 36.064 0.000
+ -73.500 36.512 0.000
+ -73.500 36.960 0.000
+ -73.500 37.408 0.000
+ -73.500 37.856 0.000
+ -73.500 38.304 0.000
+ -73.500 38.752 0.000
+ -73.500 39.200 0.000
+ -73.500 39.648 0.000
+ -73.500 40.096 0.000
+ -73.500 40.544 0.000
+ -73.500 40.992 0.000
+ -73.500 41.440 0.000
+ -73.500 41.888 0.000
+ -73.500 42.336 0.000
+ -73.500 42.784 0.000
+ -73.500 43.232 0.000
+ -73.500 43.680 0.000
+ -73.500 44.128 0.000
+ -73.500 44.576 0.000
+ -70.500 0.224 0.000
+ -70.500 0.672 0.000
+ -70.500 1.120 0.000
+ -70.500 1.568 0.000
+ -70.500 2.016 0.000
+ -70.500 2.464 0.000
+ -70.500 2.912 0.000
+ -70.500 3.360 0.000
+ -70.500 3.808 0.000
+ -70.500 4.256 0.000
+ -70.500 4.704 0.000
+ -70.500 5.152 0.000
+ -70.500 5.600 0.000
+ -70.500 6.048 0.000
+ -70.500 6.496 0.000
+ -70.500 6.944 0.000
+ -70.500 7.392 0.000
+ -70.500 7.840 0.000
+ -70.500 8.288 0.000
+ -70.500 8.736 0.000
+ -70.500 9.184 0.000
+ -70.500 9.632 0.000
+ -70.500 10.080 0.000
+ -70.500 10.528 0.000
+ -70.500 10.976 0.000
+ -70.500 11.424 0.000
+ -70.500 11.872 0.000
+ -70.500 12.320 0.000
+ -70.500 12.768 0.000
+ -70.500 13.216 0.000
+ -70.500 13.664 0.000
+ -70.500 14.112 0.000
+ -70.500 14.560 0.000
+ -70.500 15.008 0.000
+ -70.500 15.456 0.000
+ -70.500 15.904 0.000
+ -70.500 16.352 0.000
+ -70.500 16.800 0.000
+ -70.500 17.248 0.000
+ -70.500 17.696 0.000
+ -70.500 18.144 0.000
+ -70.500 18.592 0.000
+ -70.500 19.040 0.000
+ -70.500 19.488 0.000
+ -70.500 19.936 0.000
+ -70.500 20.384 0.000
+ -70.500 20.832 0.000
+ -70.500 21.280 0.000
+ -70.500 21.728 0.000
+ -70.500 22.176 0.000
+ -70.500 22.624 0.000
+ -70.500 23.072 0.000
+ -70.500 23.520 0.000
+ -70.500 23.968 0.000
+ -70.500 24.416 0.000
+ -70.500 24.864 0.000
+ -70.500 25.312 0.000
+ -70.500 25.760 0.000
+ -70.500 26.208 0.000
+ -70.500 26.656 0.000
+ -70.500 27.104 0.000
+ -70.500 27.552 0.000
+ -70.500 28.000 0.000
+ -70.500 28.448 0.000
+ -70.500 28.896 0.000
+ -70.500 29.344 0.000
+ -70.500 29.792 0.000
+ -70.500 30.240 0.000
+ -70.500 30.688 0.000
+ -70.500 31.136 0.000
+ -70.500 31.584 0.000
+ -70.500 32.032 0.000
+ -70.500 32.480 0.000
+ -70.500 32.928 0.000
+ -70.500 33.376 0.000
+ -70.500 33.824 0.000
+ -70.500 34.272 0.000
+ -70.500 34.720 0.000
+ -70.500 35.168 0.000
+ -70.500 35.616 0.000
+ -70.500 36.064 0.000
+ -70.500 36.512 0.000
+ -70.500 36.960 0.000
+ -70.500 37.408 0.000
+ -70.500 37.856 0.000
+ -70.500 38.304 0.000
+ -70.500 38.752 0.000
+ -70.500 39.200 0.000
+ -70.500 39.648 0.000
+ -70.500 40.096 0.000
+ -70.500 40.544 0.000
+ -70.500 40.992 0.000
+ -70.500 41.440 0.000
+ -70.500 41.888 0.000
+ -70.500 42.336 0.000
+ -70.500 42.784 0.000
+ -70.500 43.232 0.000
+ -70.500 43.680 0.000
+ -70.500 44.128 0.000
+ -70.500 44.576 0.000
+ -67.500 0.224 0.000
+ -67.500 0.672 0.000
+ -67.500 1.120 0.000
+ -67.500 1.568 0.000
+ -67.500 2.016 0.000
+ -67.500 2.464 0.000
+ -67.500 2.912 0.000
+ -67.500 3.360 0.000
+ -67.500 3.808 0.000
+ -67.500 4.256 0.000
+ -67.500 4.704 0.000
+ -67.500 5.152 0.000
+ -67.500 5.600 0.000
+ -67.500 6.048 0.000
+ -67.500 6.496 0.000
+ -67.500 6.944 0.000
+ -67.500 7.392 0.000
+ -67.500 7.840 0.000
+ -67.500 8.288 0.000
+ -67.500 8.736 0.000
+ -67.500 9.184 0.000
+ -67.500 9.632 0.000
+ -67.500 10.080 0.000
+ -67.500 10.528 0.000
+ -67.500 10.976 0.000
+ -67.500 11.424 0.000
+ -67.500 11.872 0.000
+ -67.500 12.320 0.000
+ -67.500 12.768 0.000
+ -67.500 13.216 0.000
+ -67.500 13.664 0.000
+ -67.500 14.112 0.000
+ -67.500 14.560 0.000
+ -67.500 15.008 0.000
+ -67.500 15.456 0.000
+ -67.500 15.904 0.000
+ -67.500 16.352 0.000
+ -67.500 16.800 0.000
+ -67.500 17.248 0.000
+ -67.500 17.696 0.000
+ -67.500 18.144 0.000
+ -67.500 18.592 0.000
+ -67.500 19.040 0.000
+ -67.500 19.488 0.000
+ -67.500 19.936 0.000
+ -67.500 20.384 0.000
+ -67.500 20.832 0.000
+ -67.500 21.280 0.000
+ -67.500 21.728 0.000
+ -67.500 22.176 0.000
+ -67.500 22.624 0.000
+ -67.500 23.072 0.000
+ -67.500 23.520 0.000
+ -67.500 23.968 0.000
+ -67.500 24.416 0.000
+ -67.500 24.864 0.000
+ -67.500 25.312 0.000
+ -67.500 25.760 0.000
+ -67.500 26.208 0.000
+ -67.500 26.656 0.000
+ -67.500 27.104 0.000
+ -67.500 27.552 0.000
+ -67.500 28.000 0.000
+ -67.500 28.448 0.000
+ -67.500 28.896 0.000
+ -67.500 29.344 0.000
+ -67.500 29.792 0.000
+ -67.500 30.240 0.000
+ -67.500 30.688 0.000
+ -67.500 31.136 0.000
+ -67.500 31.584 0.000
+ -67.500 32.032 0.000
+ -67.500 32.480 0.000
+ -67.500 32.928 0.000
+ -67.500 33.376 0.000
+ -67.500 33.824 0.000
+ -67.500 34.272 0.000
+ -67.500 34.720 0.000
+ -67.500 35.168 0.000
+ -67.500 35.616 0.000
+ -67.500 36.064 0.000
+ -67.500 36.512 0.000
+ -67.500 36.960 0.000
+ -67.500 37.408 0.000
+ -67.500 37.856 0.000
+ -67.500 38.304 0.000
+ -67.500 38.752 0.000
+ -67.500 39.200 0.000
+ -67.500 39.648 0.000
+ -67.500 40.096 0.000
+ -67.500 40.544 0.000
+ -67.500 40.992 0.000
+ -67.500 41.440 0.000
+ -67.500 41.888 0.000
+ -67.500 42.336 0.000
+ -67.500 42.784 0.000
+ -67.500 43.232 0.000
+ -67.500 43.680 0.000
+ -67.500 44.128 0.000
+ -67.500 44.576 0.000
+ -64.500 0.224 0.000
+ -64.500 0.672 0.000
+ -64.500 1.120 0.000
+ -64.500 1.568 0.000
+ -64.500 2.016 0.000
+ -64.500 2.464 0.000
+ -64.500 2.912 0.000
+ -64.500 3.360 0.000
+ -64.500 3.808 0.000
+ -64.500 4.256 0.000
+ -64.500 4.704 0.000
+ -64.500 5.152 0.000
+ -64.500 5.600 0.000
+ -64.500 6.048 0.000
+ -64.500 6.496 0.000
+ -64.500 6.944 0.000
+ -64.500 7.392 0.000
+ -64.500 7.840 0.000
+ -64.500 8.288 0.000
+ -64.500 8.736 0.000
+ -64.500 9.184 0.000
+ -64.500 9.632 0.000
+ -64.500 10.080 0.000
+ -64.500 10.528 0.000
+ -64.500 10.976 0.000
+ -64.500 11.424 0.000
+ -64.500 11.872 0.000
+ -64.500 12.320 0.000
+ -64.500 12.768 0.000
+ -64.500 13.216 0.000
+ -64.500 13.664 0.000
+ -64.500 14.112 0.000
+ -64.500 14.560 0.000
+ -64.500 15.008 0.000
+ -64.500 15.456 0.000
+ -64.500 15.904 0.000
+ -64.500 16.352 0.000
+ -64.500 16.800 0.000
+ -64.500 17.248 0.000
+ -64.500 17.696 0.000
+ -64.500 18.144 0.000
+ -64.500 18.592 0.000
+ -64.500 19.040 0.000
+ -64.500 19.488 0.000
+ -64.500 19.936 0.000
+ -64.500 20.384 0.000
+ -64.500 20.832 0.000
+ -64.500 21.280 0.000
+ -64.500 21.728 0.000
+ -64.500 22.176 0.000
+ -64.500 22.624 0.000
+ -64.500 23.072 0.000
+ -64.500 23.520 0.000
+ -64.500 23.968 0.000
+ -64.500 24.416 0.000
+ -64.500 24.864 0.000
+ -64.500 25.312 0.000
+ -64.500 25.760 0.000
+ -64.500 26.208 0.000
+ -64.500 26.656 0.000
+ -64.500 27.104 0.000
+ -64.500 27.552 0.000
+ -64.500 28.000 0.000
+ -64.500 28.448 0.000
+ -64.500 28.896 0.000
+ -64.500 29.344 0.000
+ -64.500 29.792 0.000
+ -64.500 30.240 0.000
+ -64.500 30.688 0.000
+ -64.500 31.136 0.000
+ -64.500 31.584 0.000
+ -64.500 32.032 0.000
+ -64.500 32.480 0.000
+ -64.500 32.928 0.000
+ -64.500 33.376 0.000
+ -64.500 33.824 0.000
+ -64.500 34.272 0.000
+ -64.500 34.720 0.000
+ -64.500 35.168 0.000
+ -64.500 35.616 0.000
+ -64.500 36.064 0.000
+ -64.500 36.512 0.000
+ -64.500 36.960 0.000
+ -64.500 37.408 0.000
+ -64.500 37.856 0.000
+ -64.500 38.304 0.000
+ -64.500 38.752 0.000
+ -64.500 39.200 0.000
+ -64.500 39.648 0.000
+ -64.500 40.096 0.000
+ -64.500 40.544 0.000
+ -64.500 40.992 0.000
+ -64.500 41.440 0.000
+ -64.500 41.888 0.000
+ -64.500 42.336 0.000
+ -64.500 42.784 0.000
+ -64.500 43.232 0.000
+ -64.500 43.680 0.000
+ -64.500 44.128 0.000
+ -64.500 44.576 0.000
+ -61.500 0.224 0.000
+ -61.500 0.672 0.000
+ -61.500 1.120 0.000
+ -61.500 1.568 0.000
+ -61.500 2.016 0.000
+ -61.500 2.464 0.000
+ -61.500 2.912 0.000
+ -61.500 3.360 0.000
+ -61.500 3.808 0.000
+ -61.500 4.256 0.000
+ -61.500 4.704 0.000
+ -61.500 5.152 0.000
+ -61.500 5.600 0.000
+ -61.500 6.048 0.000
+ -61.500 6.496 0.000
+ -61.500 6.944 0.000
+ -61.500 7.392 0.000
+ -61.500 7.840 0.000
+ -61.500 8.288 0.000
+ -61.500 8.736 0.000
+ -61.500 9.184 0.000
+ -61.500 9.632 0.000
+ -61.500 10.080 0.000
+ -61.500 10.528 0.000
+ -61.500 10.976 0.000
+ -61.500 11.424 0.000
+ -61.500 11.872 0.000
+ -61.500 12.320 0.000
+ -61.500 12.768 0.000
+ -61.500 13.216 0.000
+ -61.500 13.664 0.000
+ -61.500 14.112 0.000
+ -61.500 14.560 0.000
+ -61.500 15.008 0.000
+ -61.500 15.456 0.000
+ -61.500 15.904 0.000
+ -61.500 16.352 0.000
+ -61.500 16.800 0.000
+ -61.500 17.248 0.000
+ -61.500 17.696 0.000
+ -61.500 18.144 0.000
+ -61.500 18.592 0.000
+ -61.500 19.040 0.000
+ -61.500 19.488 0.000
+ -61.500 19.936 0.000
+ -61.500 20.384 0.000
+ -61.500 20.832 0.000
+ -61.500 21.280 0.000
+ -61.500 21.728 0.000
+ -61.500 22.176 0.000
+ -61.500 22.624 0.000
+ -61.500 23.072 0.000
+ -61.500 23.520 0.000
+ -61.500 23.968 0.000
+ -61.500 24.416 0.000
+ -61.500 24.864 0.000
+ -61.500 25.312 0.000
+ -61.500 25.760 0.000
+ -61.500 26.208 0.000
+ -61.500 26.656 0.000
+ -61.500 27.104 0.000
+ -61.500 27.552 0.000
+ -61.500 28.000 0.000
+ -61.500 28.448 0.000
+ -61.500 28.896 0.000
+ -61.500 29.344 0.000
+ -61.500 29.792 0.000
+ -61.500 30.240 0.000
+ -61.500 30.688 0.000
+ -61.500 31.136 0.000
+ -61.500 31.584 0.000
+ -61.500 32.032 0.000
+ -61.500 32.480 0.000
+ -61.500 32.928 0.000
+ -61.500 33.376 0.000
+ -61.500 33.824 0.000
+ -61.500 34.272 0.000
+ -61.500 34.720 0.000
+ -61.500 35.168 0.000
+ -61.500 35.616 0.000
+ -61.500 36.064 0.000
+ -61.500 36.512 0.000
+ -61.500 36.960 0.000
+ -61.500 37.408 0.000
+ -61.500 37.856 0.000
+ -61.500 38.304 0.000
+ -61.500 38.752 0.000
+ -61.500 39.200 0.000
+ -61.500 39.648 0.000
+ -61.500 40.096 0.000
+ -61.500 40.544 0.000
+ -61.500 40.992 0.000
+ -61.500 41.440 0.000
+ -61.500 41.888 0.000
+ -61.500 42.336 0.000
+ -61.500 42.784 0.000
+ -61.500 43.232 0.000
+ -61.500 43.680 0.000
+ -61.500 44.128 0.000
+ -61.500 44.576 0.000
+ -58.500 0.224 0.000
+ -58.500 0.672 0.000
+ -58.500 1.120 0.000
+ -58.500 1.568 0.000
+ -58.500 2.016 0.000
+ -58.500 2.464 0.000
+ -58.500 2.912 0.000
+ -58.500 3.360 0.000
+ -58.500 3.808 0.000
+ -58.500 4.256 0.000
+ -58.500 4.704 0.000
+ -58.500 5.152 0.000
+ -58.500 5.600 0.000
+ -58.500 6.048 0.000
+ -58.500 6.496 0.000
+ -58.500 6.944 0.000
+ -58.500 7.392 0.000
+ -58.500 7.840 0.000
+ -58.500 8.288 0.000
+ -58.500 8.736 0.000
+ -58.500 9.184 0.000
+ -58.500 9.632 0.000
+ -58.500 10.080 0.000
+ -58.500 10.528 0.000
+ -58.500 10.976 0.000
+ -58.500 11.424 0.000
+ -58.500 11.872 0.000
+ -58.500 12.320 0.000
+ -58.500 12.768 0.000
+ -58.500 13.216 0.000
+ -58.500 13.664 0.000
+ -58.500 14.112 0.000
+ -58.500 14.560 0.000
+ -58.500 15.008 0.000
+ -58.500 15.456 0.000
+ -58.500 15.904 0.000
+ -58.500 16.352 0.000
+ -58.500 16.800 0.000
+ -58.500 17.248 0.000
+ -58.500 17.696 0.000
+ -58.500 18.144 0.000
+ -58.500 18.592 0.000
+ -58.500 19.040 0.000
+ -58.500 19.488 0.000
+ -58.500 19.936 0.000
+ -58.500 20.384 0.000
+ -58.500 20.832 0.000
+ -58.500 21.280 0.000
+ -58.500 21.728 0.000
+ -58.500 22.176 0.000
+ -58.500 22.624 0.000
+ -58.500 23.072 0.000
+ -58.500 23.520 0.000
+ -58.500 23.968 0.000
+ -58.500 24.416 0.000
+ -58.500 24.864 0.000
+ -58.500 25.312 0.000
+ -58.500 25.760 0.000
+ -58.500 26.208 0.000
+ -58.500 26.656 0.000
+ -58.500 27.104 0.000
+ -58.500 27.552 0.000
+ -58.500 28.000 0.000
+ -58.500 28.448 0.000
+ -58.500 28.896 0.000
+ -58.500 29.344 0.000
+ -58.500 29.792 0.000
+ -58.500 30.240 0.000
+ -58.500 30.688 0.000
+ -58.500 31.136 0.000
+ -58.500 31.584 0.000
+ -58.500 32.032 0.000
+ -58.500 32.480 0.000
+ -58.500 32.928 0.000
+ -58.500 33.376 0.000
+ -58.500 33.824 0.000
+ -58.500 34.272 0.000
+ -58.500 34.720 0.000
+ -58.500 35.168 0.000
+ -58.500 35.616 0.000
+ -58.500 36.064 0.000
+ -58.500 36.512 0.000
+ -58.500 36.960 0.000
+ -58.500 37.408 0.000
+ -58.500 37.856 0.000
+ -58.500 38.304 0.000
+ -58.500 38.752 0.000
+ -58.500 39.200 0.000
+ -58.500 39.648 0.000
+ -58.500 40.096 0.000
+ -58.500 40.544 0.000
+ -58.500 40.992 0.000
+ -58.500 41.440 0.000
+ -58.500 41.888 0.000
+ -58.500 42.336 0.000
+ -58.500 42.784 0.000
+ -58.500 43.232 0.000
+ -58.500 43.680 0.000
+ -58.500 44.128 0.000
+ -58.500 44.576 0.000
+ -55.500 0.224 0.000
+ -55.500 0.672 0.000
+ -55.500 1.120 0.000
+ -55.500 1.568 0.000
+ -55.500 2.016 0.000
+ -55.500 2.464 0.000
+ -55.500 2.912 0.000
+ -55.500 3.360 0.000
+ -55.500 3.808 0.000
+ -55.500 4.256 0.000
+ -55.500 4.704 0.000
+ -55.500 5.152 0.000
+ -55.500 5.600 0.000
+ -55.500 6.048 0.000
+ -55.500 6.496 0.000
+ -55.500 6.944 0.000
+ -55.500 7.392 0.000
+ -55.500 7.840 0.000
+ -55.500 8.288 0.000
+ -55.500 8.736 0.000
+ -55.500 9.184 0.000
+ -55.500 9.632 0.000
+ -55.500 10.080 0.000
+ -55.500 10.528 0.000
+ -55.500 10.976 0.000
+ -55.500 11.424 0.000
+ -55.500 11.872 0.000
+ -55.500 12.320 0.000
+ -55.500 12.768 0.000
+ -55.500 13.216 0.000
+ -55.500 13.664 0.000
+ -55.500 14.112 0.000
+ -55.500 14.560 0.000
+ -55.500 15.008 0.000
+ -55.500 15.456 0.000
+ -55.500 15.904 0.000
+ -55.500 16.352 0.000
+ -55.500 16.800 0.000
+ -55.500 17.248 0.000
+ -55.500 17.696 0.000
+ -55.500 18.144 0.000
+ -55.500 18.592 0.000
+ -55.500 19.040 0.000
+ -55.500 19.488 0.000
+ -55.500 19.936 0.000
+ -55.500 20.384 0.000
+ -55.500 20.832 0.000
+ -55.500 21.280 0.000
+ -55.500 21.728 0.000
+ -55.500 22.176 0.000
+ -55.500 22.624 0.000
+ -55.500 23.072 0.000
+ -55.500 23.520 0.000
+ -55.500 23.968 0.000
+ -55.500 24.416 0.000
+ -55.500 24.864 0.000
+ -55.500 25.312 0.000
+ -55.500 25.760 0.000
+ -55.500 26.208 0.000
+ -55.500 26.656 0.000
+ -55.500 27.104 0.000
+ -55.500 27.552 0.000
+ -55.500 28.000 0.000
+ -55.500 28.448 0.000
+ -55.500 28.896 0.000
+ -55.500 29.344 0.000
+ -55.500 29.792 0.000
+ -55.500 30.240 0.000
+ -55.500 30.688 0.000
+ -55.500 31.136 0.000
+ -55.500 31.584 0.000
+ -55.500 32.032 0.000
+ -55.500 32.480 0.000
+ -55.500 32.928 0.000
+ -55.500 33.376 0.000
+ -55.500 33.824 0.000
+ -55.500 34.272 0.000
+ -55.500 34.720 0.000
+ -55.500 35.168 0.000
+ -55.500 35.616 0.000
+ -55.500 36.064 0.000
+ -55.500 36.512 0.000
+ -55.500 36.960 0.000
+ -55.500 37.408 0.000
+ -55.500 37.856 0.000
+ -55.500 38.304 0.000
+ -55.500 38.752 0.000
+ -55.500 39.200 0.000
+ -55.500 39.648 0.000
+ -55.500 40.096 0.000
+ -55.500 40.544 0.000
+ -55.500 40.992 0.000
+ -55.500 41.440 0.000
+ -55.500 41.888 0.000
+ -55.500 42.336 0.000
+ -55.500 42.784 0.000
+ -55.500 43.232 0.000
+ -55.500 43.680 0.000
+ -55.500 44.128 0.000
+ -55.500 44.576 0.000
+ -52.500 0.224 0.000
+ -52.500 0.672 0.000
+ -52.500 1.120 0.000
+ -52.500 1.568 0.000
+ -52.500 2.016 0.000
+ -52.500 2.464 0.000
+ -52.500 2.912 0.000
+ -52.500 3.360 0.000
+ -52.500 3.808 0.000
+ -52.500 4.256 0.000
+ -52.500 4.704 0.000
+ -52.500 5.152 0.000
+ -52.500 5.600 0.000
+ -52.500 6.048 0.000
+ -52.500 6.496 0.000
+ -52.500 6.944 0.000
+ -52.500 7.392 0.000
+ -52.500 7.840 0.000
+ -52.500 8.288 0.000
+ -52.500 8.736 0.000
+ -52.500 9.184 0.000
+ -52.500 9.632 0.000
+ -52.500 10.080 0.000
+ -52.500 10.528 0.000
+ -52.500 10.976 0.000
+ -52.500 11.424 0.000
+ -52.500 11.872 0.000
+ -52.500 12.320 0.000
+ -52.500 12.768 0.000
+ -52.500 13.216 0.000
+ -52.500 13.664 0.000
+ -52.500 14.112 0.000
+ -52.500 14.560 0.000
+ -52.500 15.008 0.000
+ -52.500 15.456 0.000
+ -52.500 15.904 0.000
+ -52.500 16.352 0.000
+ -52.500 16.800 0.000
+ -52.500 17.248 0.000
+ -52.500 17.696 0.000
+ -52.500 18.144 0.000
+ -52.500 18.592 0.000
+ -52.500 19.040 0.000
+ -52.500 19.488 0.000
+ -52.500 19.936 0.000
+ -52.500 20.384 0.000
+ -52.500 20.832 0.000
+ -52.500 21.280 0.000
+ -52.500 21.728 0.000
+ -52.500 22.176 0.000
+ -52.500 22.624 0.000
+ -52.500 23.072 0.000
+ -52.500 23.520 0.000
+ -52.500 23.968 0.000
+ -52.500 24.416 0.000
+ -52.500 24.864 0.000
+ -52.500 25.312 0.000
+ -52.500 25.760 0.000
+ -52.500 26.208 0.000
+ -52.500 26.656 0.000
+ -52.500 27.104 0.000
+ -52.500 27.552 0.000
+ -52.500 28.000 0.000
+ -52.500 28.448 0.000
+ -52.500 28.896 0.000
+ -52.500 29.344 0.000
+ -52.500 29.792 0.000
+ -52.500 30.240 0.000
+ -52.500 30.688 0.000
+ -52.500 31.136 0.000
+ -52.500 31.584 0.000
+ -52.500 32.032 0.000
+ -52.500 32.480 0.000
+ -52.500 32.928 0.000
+ -52.500 33.376 0.000
+ -52.500 33.824 0.000
+ -52.500 34.272 0.000
+ -52.500 34.720 0.000
+ -52.500 35.168 0.000
+ -52.500 35.616 0.000
+ -52.500 36.064 0.000
+ -52.500 36.512 0.000
+ -52.500 36.960 0.000
+ -52.500 37.408 0.000
+ -52.500 37.856 0.000
+ -52.500 38.304 0.000
+ -52.500 38.752 0.000
+ -52.500 39.200 0.000
+ -52.500 39.648 0.000
+ -52.500 40.096 0.000
+ -52.500 40.544 0.000
+ -52.500 40.992 0.000
+ -52.500 41.440 0.000
+ -52.500 41.888 0.000
+ -52.500 42.336 0.000
+ -52.500 42.784 0.000
+ -52.500 43.232 0.000
+ -52.500 43.680 0.000
+ -52.500 44.128 0.000
+ -52.500 44.576 0.000
+ -49.500 0.224 0.000
+ -49.500 0.672 0.000
+ -49.500 1.120 0.000
+ -49.500 1.568 0.000
+ -49.500 2.016 0.000
+ -49.500 2.464 0.000
+ -49.500 2.912 0.000
+ -49.500 3.360 0.000
+ -49.500 3.808 0.000
+ -49.500 4.256 0.000
+ -49.500 4.704 0.000
+ -49.500 5.152 0.000
+ -49.500 5.600 0.000
+ -49.500 6.048 0.000
+ -49.500 6.496 0.000
+ -49.500 6.944 0.000
+ -49.500 7.392 0.000
+ -49.500 7.840 0.000
+ -49.500 8.288 0.000
+ -49.500 8.736 0.000
+ -49.500 9.184 0.000
+ -49.500 9.632 0.000
+ -49.500 10.080 0.000
+ -49.500 10.528 0.000
+ -49.500 10.976 0.000
+ -49.500 11.424 0.000
+ -49.500 11.872 0.000
+ -49.500 12.320 0.000
+ -49.500 12.768 0.000
+ -49.500 13.216 0.000
+ -49.500 13.664 0.000
+ -49.500 14.112 0.000
+ -49.500 14.560 0.000
+ -49.500 15.008 0.000
+ -49.500 15.456 0.000
+ -49.500 15.904 0.000
+ -49.500 16.352 0.000
+ -49.500 16.800 0.000
+ -49.500 17.248 0.000
+ -49.500 17.696 0.000
+ -49.500 18.144 0.000
+ -49.500 18.592 0.000
+ -49.500 19.040 0.000
+ -49.500 19.488 0.000
+ -49.500 19.936 0.000
+ -49.500 20.384 0.000
+ -49.500 20.832 0.000
+ -49.500 21.280 0.000
+ -49.500 21.728 0.000
+ -49.500 22.176 0.000
+ -49.500 22.624 0.000
+ -49.500 23.072 0.000
+ -49.500 23.520 0.000
+ -49.500 23.968 0.000
+ -49.500 24.416 0.000
+ -49.500 24.864 0.000
+ -49.500 25.312 0.000
+ -49.500 25.760 0.000
+ -49.500 26.208 0.000
+ -49.500 26.656 0.000
+ -49.500 27.104 0.000
+ -49.500 27.552 0.000
+ -49.500 28.000 0.000
+ -49.500 28.448 0.000
+ -49.500 28.896 0.000
+ -49.500 29.344 0.000
+ -49.500 29.792 0.000
+ -49.500 30.240 0.000
+ -49.500 30.688 0.000
+ -49.500 31.136 0.000
+ -49.500 31.584 0.000
+ -49.500 32.032 0.000
+ -49.500 32.480 0.000
+ -49.500 32.928 0.000
+ -49.500 33.376 0.000
+ -49.500 33.824 0.000
+ -49.500 34.272 0.000
+ -49.500 34.720 0.000
+ -49.500 35.168 0.000
+ -49.500 35.616 0.000
+ -49.500 36.064 0.000
+ -49.500 36.512 0.000
+ -49.500 36.960 0.000
+ -49.500 37.408 0.000
+ -49.500 37.856 0.000
+ -49.500 38.304 0.000
+ -49.500 38.752 0.000
+ -49.500 39.200 0.000
+ -49.500 39.648 0.000
+ -49.500 40.096 0.000
+ -49.500 40.544 0.000
+ -49.500 40.992 0.000
+ -49.500 41.440 0.000
+ -49.500 41.888 0.000
+ -49.500 42.336 0.000
+ -49.500 42.784 0.000
+ -49.500 43.232 0.000
+ -49.500 43.680 0.000
+ -49.500 44.128 0.000
+ -49.500 44.576 0.000
+ -46.500 0.224 0.000
+ -46.500 0.672 0.000
+ -46.500 1.120 0.000
+ -46.500 1.568 0.000
+ -46.500 2.016 0.000
+ -46.500 2.464 0.000
+ -46.500 2.912 0.000
+ -46.500 3.360 0.000
+ -46.500 3.808 0.000
+ -46.500 4.256 0.000
+ -46.500 4.704 0.000
+ -46.500 5.152 0.000
+ -46.500 5.600 0.000
+ -46.500 6.048 0.000
+ -46.500 6.496 0.000
+ -46.500 6.944 0.000
+ -46.500 7.392 0.000
+ -46.500 7.840 0.000
+ -46.500 8.288 0.000
+ -46.500 8.736 0.000
+ -46.500 9.184 0.000
+ -46.500 9.632 0.000
+ -46.500 10.080 0.000
+ -46.500 10.528 0.000
+ -46.500 10.976 0.000
+ -46.500 11.424 0.000
+ -46.500 11.872 0.000
+ -46.500 12.320 0.000
+ -46.500 12.768 0.000
+ -46.500 13.216 0.000
+ -46.500 13.664 0.000
+ -46.500 14.112 0.000
+ -46.500 14.560 0.000
+ -46.500 15.008 0.000
+ -46.500 15.456 0.000
+ -46.500 15.904 0.000
+ -46.500 16.352 0.000
+ -46.500 16.800 0.000
+ -46.500 17.248 0.000
+ -46.500 17.696 0.000
+ -46.500 18.144 0.000
+ -46.500 18.592 0.000
+ -46.500 19.040 0.000
+ -46.500 19.488 0.000
+ -46.500 19.936 0.000
+ -46.500 20.384 0.000
+ -46.500 20.832 0.000
+ -46.500 21.280 0.000
+ -46.500 21.728 0.000
+ -46.500 22.176 0.000
+ -46.500 22.624 0.000
+ -46.500 23.072 0.000
+ -46.500 23.520 0.000
+ -46.500 23.968 0.000
+ -46.500 24.416 0.000
+ -46.500 24.864 0.000
+ -46.500 25.312 0.000
+ -46.500 25.760 0.000
+ -46.500 26.208 0.000
+ -46.500 26.656 0.000
+ -46.500 27.104 0.000
+ -46.500 27.552 0.000
+ -46.500 28.000 0.000
+ -46.500 28.448 0.000
+ -46.500 28.896 0.000
+ -46.500 29.344 0.000
+ -46.500 29.792 0.000
+ -46.500 30.240 0.000
+ -46.500 30.688 0.000
+ -46.500 31.136 0.000
+ -46.500 31.584 0.000
+ -46.500 32.032 0.000
+ -46.500 32.480 0.000
+ -46.500 32.928 0.000
+ -46.500 33.376 0.000
+ -46.500 33.824 0.000
+ -46.500 34.272 0.000
+ -46.500 34.720 0.000
+ -46.500 35.168 0.000
+ -46.500 35.616 0.000
+ -46.500 36.064 0.000
+ -46.500 36.512 0.000
+ -46.500 36.960 0.000
+ -46.500 37.408 0.000
+ -46.500 37.856 0.000
+ -46.500 38.304 0.000
+ -46.500 38.752 0.000
+ -46.500 39.200 0.000
+ -46.500 39.648 0.000
+ -46.500 40.096 0.000
+ -46.500 40.544 0.000
+ -46.500 40.992 0.000
+ -46.500 41.440 0.000
+ -46.500 41.888 0.000
+ -46.500 42.336 0.000
+ -46.500 42.784 0.000
+ -46.500 43.232 0.000
+ -46.500 43.680 0.000
+ -46.500 44.128 0.000
+ -46.500 44.576 0.000
+ -43.500 0.224 0.000
+ -43.500 0.672 0.000
+ -43.500 1.120 0.000
+ -43.500 1.568 0.000
+ -43.500 2.016 0.000
+ -43.500 2.464 0.000
+ -43.500 2.912 0.000
+ -43.500 3.360 0.000
+ -43.500 3.808 0.000
+ -43.500 4.256 0.000
+ -43.500 4.704 0.000
+ -43.500 5.152 0.000
+ -43.500 5.600 0.000
+ -43.500 6.048 0.000
+ -43.500 6.496 0.000
+ -43.500 6.944 0.000
+ -43.500 7.392 0.000
+ -43.500 7.840 0.000
+ -43.500 8.288 0.000
+ -43.500 8.736 0.000
+ -43.500 9.184 0.000
+ -43.500 9.632 0.000
+ -43.500 10.080 0.000
+ -43.500 10.528 0.000
+ -43.500 10.976 0.000
+ -43.500 11.424 0.000
+ -43.500 11.872 0.000
+ -43.500 12.320 0.000
+ -43.500 12.768 0.000
+ -43.500 13.216 0.000
+ -43.500 13.664 0.000
+ -43.500 14.112 0.000
+ -43.500 14.560 0.000
+ -43.500 15.008 0.000
+ -43.500 15.456 0.000
+ -43.500 15.904 0.000
+ -43.500 16.352 0.000
+ -43.500 16.800 0.000
+ -43.500 17.248 0.000
+ -43.500 17.696 0.000
+ -43.500 18.144 0.000
+ -43.500 18.592 0.000
+ -43.500 19.040 0.000
+ -43.500 19.488 0.000
+ -43.500 19.936 0.000
+ -43.500 20.384 0.000
+ -43.500 20.832 0.000
+ -43.500 21.280 0.000
+ -43.500 21.728 0.000
+ -43.500 22.176 0.000
+ -43.500 22.624 0.000
+ -43.500 23.072 0.000
+ -43.500 23.520 0.000
+ -43.500 23.968 0.000
+ -43.500 24.416 0.000
+ -43.500 24.864 0.000
+ -43.500 25.312 0.000
+ -43.500 25.760 0.000
+ -43.500 26.208 0.000
+ -43.500 26.656 0.000
+ -43.500 27.104 0.000
+ -43.500 27.552 0.000
+ -43.500 28.000 0.000
+ -43.500 28.448 0.000
+ -43.500 28.896 0.000
+ -43.500 29.344 0.000
+ -43.500 29.792 0.000
+ -43.500 30.240 0.000
+ -43.500 30.688 0.000
+ -43.500 31.136 0.000
+ -43.500 31.584 0.000
+ -43.500 32.032 0.000
+ -43.500 32.480 0.000
+ -43.500 32.928 0.000
+ -43.500 33.376 0.000
+ -43.500 33.824 0.000
+ -43.500 34.272 0.000
+ -43.500 34.720 0.000
+ -43.500 35.168 0.000
+ -43.500 35.616 0.000
+ -43.500 36.064 0.000
+ -43.500 36.512 0.000
+ -43.500 36.960 0.000
+ -43.500 37.408 0.000
+ -43.500 37.856 0.000
+ -43.500 38.304 0.000
+ -43.500 38.752 0.000
+ -43.500 39.200 0.000
+ -43.500 39.648 0.000
+ -43.500 40.096 0.000
+ -43.500 40.544 0.000
+ -43.500 40.992 0.000
+ -43.500 41.440 0.000
+ -43.500 41.888 0.000
+ -43.500 42.336 0.000
+ -43.500 42.784 0.000
+ -43.500 43.232 0.000
+ -43.500 43.680 0.000
+ -43.500 44.128 0.000
+ -43.500 44.576 0.000
+ -40.500 0.224 0.000
+ -40.500 0.672 0.000
+ -40.500 1.120 0.000
+ -40.500 1.568 0.000
+ -40.500 2.016 0.000
+ -40.500 2.464 0.000
+ -40.500 2.912 0.000
+ -40.500 3.360 0.000
+ -40.500 3.808 0.000
+ -40.500 4.256 0.000
+ -40.500 4.704 0.000
+ -40.500 5.152 0.000
+ -40.500 5.600 0.000
+ -40.500 6.048 0.000
+ -40.500 6.496 0.000
+ -40.500 6.944 0.000
+ -40.500 7.392 0.000
+ -40.500 7.840 0.000
+ -40.500 8.288 0.000
+ -40.500 8.736 0.000
+ -40.500 9.184 0.000
+ -40.500 9.632 0.000
+ -40.500 10.080 0.000
+ -40.500 10.528 0.000
+ -40.500 10.976 0.000
+ -40.500 11.424 0.000
+ -40.500 11.872 0.000
+ -40.500 12.320 0.000
+ -40.500 12.768 0.000
+ -40.500 13.216 0.000
+ -40.500 13.664 0.000
+ -40.500 14.112 0.000
+ -40.500 14.560 0.000
+ -40.500 15.008 0.000
+ -40.500 15.456 0.000
+ -40.500 15.904 0.000
+ -40.500 16.352 0.000
+ -40.500 16.800 0.000
+ -40.500 17.248 0.000
+ -40.500 17.696 0.000
+ -40.500 18.144 0.000
+ -40.500 18.592 0.000
+ -40.500 19.040 0.000
+ -40.500 19.488 0.000
+ -40.500 19.936 0.000
+ -40.500 20.384 0.000
+ -40.500 20.832 0.000
+ -40.500 21.280 0.000
+ -40.500 21.728 0.000
+ -40.500 22.176 0.000
+ -40.500 22.624 0.000
+ -40.500 23.072 0.000
+ -40.500 23.520 0.000
+ -40.500 23.968 0.000
+ -40.500 24.416 0.000
+ -40.500 24.864 0.000
+ -40.500 25.312 0.000
+ -40.500 25.760 0.000
+ -40.500 26.208 0.000
+ -40.500 26.656 0.000
+ -40.500 27.104 0.000
+ -40.500 27.552 0.000
+ -40.500 28.000 0.000
+ -40.500 28.448 0.000
+ -40.500 28.896 0.000
+ -40.500 29.344 0.000
+ -40.500 29.792 0.000
+ -40.500 30.240 0.000
+ -40.500 30.688 0.000
+ -40.500 31.136 0.000
+ -40.500 31.584 0.000
+ -40.500 32.032 0.000
+ -40.500 32.480 0.000
+ -40.500 32.928 0.000
+ -40.500 33.376 0.000
+ -40.500 33.824 0.000
+ -40.500 34.272 0.000
+ -40.500 34.720 0.000
+ -40.500 35.168 0.000
+ -40.500 35.616 0.000
+ -40.500 36.064 0.000
+ -40.500 36.512 0.000
+ -40.500 36.960 0.000
+ -40.500 37.408 0.000
+ -40.500 37.856 0.000
+ -40.500 38.304 0.000
+ -40.500 38.752 0.000
+ -40.500 39.200 0.000
+ -40.500 39.648 0.000
+ -40.500 40.096 0.000
+ -40.500 40.544 0.000
+ -40.500 40.992 0.000
+ -40.500 41.440 0.000
+ -40.500 41.888 0.000
+ -40.500 42.336 0.000
+ -40.500 42.784 0.000
+ -40.500 43.232 0.000
+ -40.500 43.680 0.000
+ -40.500 44.128 0.000
+ -40.500 44.576 0.000
+ -37.500 0.224 0.000
+ -37.500 0.672 0.000
+ -37.500 1.120 0.000
+ -37.500 1.568 0.000
+ -37.500 2.016 0.000
+ -37.500 2.464 0.000
+ -37.500 2.912 0.000
+ -37.500 3.360 0.000
+ -37.500 3.808 0.000
+ -37.500 4.256 0.000
+ -37.500 4.704 0.000
+ -37.500 5.152 0.000
+ -37.500 5.600 0.000
+ -37.500 6.048 0.000
+ -37.500 6.496 0.000
+ -37.500 6.944 0.000
+ -37.500 7.392 0.000
+ -37.500 7.840 0.000
+ -37.500 8.288 0.000
+ -37.500 8.736 0.000
+ -37.500 9.184 0.000
+ -37.500 9.632 0.000
+ -37.500 10.080 0.000
+ -37.500 10.528 0.000
+ -37.500 10.976 0.000
+ -37.500 11.424 0.000
+ -37.500 11.872 0.000
+ -37.500 12.320 0.000
+ -37.500 12.768 0.000
+ -37.500 13.216 0.000
+ -37.500 13.664 0.000
+ -37.500 14.112 0.000
+ -37.500 14.560 0.000
+ -37.500 15.008 0.000
+ -37.500 15.456 0.000
+ -37.500 15.904 0.000
+ -37.500 16.352 0.000
+ -37.500 16.800 0.000
+ -37.500 17.248 0.000
+ -37.500 17.696 0.000
+ -37.500 18.144 0.000
+ -37.500 18.592 0.000
+ -37.500 19.040 0.000
+ -37.500 19.488 0.000
+ -37.500 19.936 0.000
+ -37.500 20.384 0.000
+ -37.500 20.832 0.000
+ -37.500 21.280 0.000
+ -37.500 21.728 0.000
+ -37.500 22.176 0.000
+ -37.500 22.624 0.000
+ -37.500 23.072 0.000
+ -37.500 23.520 0.000
+ -37.500 23.968 0.000
+ -37.500 24.416 0.000
+ -37.500 24.864 0.000
+ -37.500 25.312 0.000
+ -37.500 25.760 0.000
+ -37.500 26.208 0.000
+ -37.500 26.656 0.000
+ -37.500 27.104 0.000
+ -37.500 27.552 0.000
+ -37.500 28.000 0.000
+ -37.500 28.448 0.000
+ -37.500 28.896 0.000
+ -37.500 29.344 0.000
+ -37.500 29.792 0.000
+ -37.500 30.240 0.000
+ -37.500 30.688 0.000
+ -37.500 31.136 0.000
+ -37.500 31.584 0.000
+ -37.500 32.032 0.000
+ -37.500 32.480 0.000
+ -37.500 32.928 0.000
+ -37.500 33.376 0.000
+ -37.500 33.824 0.000
+ -37.500 34.272 0.000
+ -37.500 34.720 0.000
+ -37.500 35.168 0.000
+ -37.500 35.616 0.000
+ -37.500 36.064 0.000
+ -37.500 36.512 0.000
+ -37.500 36.960 0.000
+ -37.500 37.408 0.000
+ -37.500 37.856 0.000
+ -37.500 38.304 0.000
+ -37.500 38.752 0.000
+ -37.500 39.200 0.000
+ -37.500 39.648 0.000
+ -37.500 40.096 0.000
+ -37.500 40.544 0.000
+ -37.500 40.992 0.000
+ -37.500 41.440 0.000
+ -37.500 41.888 0.000
+ -37.500 42.336 0.000
+ -37.500 42.784 0.000
+ -37.500 43.232 0.000
+ -37.500 43.680 0.000
+ -37.500 44.128 0.000
+ -37.500 44.576 0.000
+ -34.500 0.224 0.000
+ -34.500 0.672 0.000
+ -34.500 1.120 0.000
+ -34.500 1.568 0.000
+ -34.500 2.016 0.000
+ -34.500 2.464 0.000
+ -34.500 2.912 0.000
+ -34.500 3.360 0.000
+ -34.500 3.808 0.000
+ -34.500 4.256 0.000
+ -34.500 4.704 0.000
+ -34.500 5.152 0.000
+ -34.500 5.600 0.000
+ -34.500 6.048 0.000
+ -34.500 6.496 0.000
+ -34.500 6.944 0.000
+ -34.500 7.392 0.000
+ -34.500 7.840 0.000
+ -34.500 8.288 0.000
+ -34.500 8.736 0.000
+ -34.500 9.184 0.000
+ -34.500 9.632 0.000
+ -34.500 10.080 0.000
+ -34.500 10.528 0.000
+ -34.500 10.976 0.000
+ -34.500 11.424 0.000
+ -34.500 11.872 0.000
+ -34.500 12.320 0.000
+ -34.500 12.768 0.000
+ -34.500 13.216 0.000
+ -34.500 13.664 0.000
+ -34.500 14.112 0.000
+ -34.500 14.560 0.000
+ -34.500 15.008 0.000
+ -34.500 15.456 0.000
+ -34.500 15.904 0.000
+ -34.500 16.352 0.000
+ -34.500 16.800 0.000
+ -34.500 17.248 0.000
+ -34.500 17.696 0.000
+ -34.500 18.144 0.000
+ -34.500 18.592 0.000
+ -34.500 19.040 0.000
+ -34.500 19.488 0.000
+ -34.500 19.936 0.000
+ -34.500 20.384 0.000
+ -34.500 20.832 0.000
+ -34.500 21.280 0.000
+ -34.500 21.728 0.000
+ -34.500 22.176 0.000
+ -34.500 22.624 0.000
+ -34.500 23.072 0.000
+ -34.500 23.520 0.000
+ -34.500 23.968 0.000
+ -34.500 24.416 0.000
+ -34.500 24.864 0.000
+ -34.500 25.312 0.000
+ -34.500 25.760 0.000
+ -34.500 26.208 0.000
+ -34.500 26.656 0.000
+ -34.500 27.104 0.000
+ -34.500 27.552 0.000
+ -34.500 28.000 0.000
+ -34.500 28.448 0.000
+ -34.500 28.896 0.000
+ -34.500 29.344 0.000
+ -34.500 29.792 0.000
+ -34.500 30.240 0.000
+ -34.500 30.688 0.000
+ -34.500 31.136 0.000
+ -34.500 31.584 0.000
+ -34.500 32.032 0.000
+ -34.500 32.480 0.000
+ -34.500 32.928 0.000
+ -34.500 33.376 0.000
+ -34.500 33.824 0.000
+ -34.500 34.272 0.000
+ -34.500 34.720 0.000
+ -34.500 35.168 0.000
+ -34.500 35.616 0.000
+ -34.500 36.064 0.000
+ -34.500 36.512 0.000
+ -34.500 36.960 0.000
+ -34.500 37.408 0.000
+ -34.500 37.856 0.000
+ -34.500 38.304 0.000
+ -34.500 38.752 0.000
+ -34.500 39.200 0.000
+ -34.500 39.648 0.000
+ -34.500 40.096 0.000
+ -34.500 40.544 0.000
+ -34.500 40.992 0.000
+ -34.500 41.440 0.000
+ -34.500 41.888 0.000
+ -34.500 42.336 0.000
+ -34.500 42.784 0.000
+ -34.500 43.232 0.000
+ -34.500 43.680 0.000
+ -34.500 44.128 0.000
+ -34.500 44.576 0.000
+ -31.500 0.224 0.000
+ -31.500 0.672 0.000
+ -31.500 1.120 0.000
+ -31.500 1.568 0.000
+ -31.500 2.016 0.000
+ -31.500 2.464 0.000
+ -31.500 2.912 0.000
+ -31.500 3.360 0.000
+ -31.500 3.808 0.000
+ -31.500 4.256 0.000
+ -31.500 4.704 0.000
+ -31.500 5.152 0.000
+ -31.500 5.600 0.000
+ -31.500 6.048 0.000
+ -31.500 6.496 0.000
+ -31.500 6.944 0.000
+ -31.500 7.392 0.000
+ -31.500 7.840 0.000
+ -31.500 8.288 0.000
+ -31.500 8.736 0.000
+ -31.500 9.184 0.000
+ -31.500 9.632 0.000
+ -31.500 10.080 0.000
+ -31.500 10.528 0.000
+ -31.500 10.976 0.000
+ -31.500 11.424 0.000
+ -31.500 11.872 0.000
+ -31.500 12.320 0.000
+ -31.500 12.768 0.000
+ -31.500 13.216 0.000
+ -31.500 13.664 0.000
+ -31.500 14.112 0.000
+ -31.500 14.560 0.000
+ -31.500 15.008 0.000
+ -31.500 15.456 0.000
+ -31.500 15.904 0.000
+ -31.500 16.352 0.000
+ -31.500 16.800 0.000
+ -31.500 17.248 0.000
+ -31.500 17.696 0.000
+ -31.500 18.144 0.000
+ -31.500 18.592 0.000
+ -31.500 19.040 0.000
+ -31.500 19.488 0.000
+ -31.500 19.936 0.000
+ -31.500 20.384 0.000
+ -31.500 20.832 0.000
+ -31.500 21.280 0.000
+ -31.500 21.728 0.000
+ -31.500 22.176 0.000
+ -31.500 22.624 0.000
+ -31.500 23.072 0.000
+ -31.500 23.520 0.000
+ -31.500 23.968 0.000
+ -31.500 24.416 0.000
+ -31.500 24.864 0.000
+ -31.500 25.312 0.000
+ -31.500 25.760 0.000
+ -31.500 26.208 0.000
+ -31.500 26.656 0.000
+ -31.500 27.104 0.000
+ -31.500 27.552 0.000
+ -31.500 28.000 0.000
+ -31.500 28.448 0.000
+ -31.500 28.896 0.000
+ -31.500 29.344 0.000
+ -31.500 29.792 0.000
+ -31.500 30.240 0.000
+ -31.500 30.688 0.000
+ -31.500 31.136 0.000
+ -31.500 31.584 0.000
+ -31.500 32.032 0.000
+ -31.500 32.480 0.000
+ -31.500 32.928 0.000
+ -31.500 33.376 0.000
+ -31.500 33.824 0.000
+ -31.500 34.272 0.000
+ -31.500 34.720 0.000
+ -31.500 35.168 0.000
+ -31.500 35.616 0.000
+ -31.500 36.064 0.000
+ -31.500 36.512 0.000
+ -31.500 36.960 0.000
+ -31.500 37.408 0.000
+ -31.500 37.856 0.000
+ -31.500 38.304 0.000
+ -31.500 38.752 0.000
+ -31.500 39.200 0.000
+ -31.500 39.648 0.000
+ -31.500 40.096 0.000
+ -31.500 40.544 0.000
+ -31.500 40.992 0.000
+ -31.500 41.440 0.000
+ -31.500 41.888 0.000
+ -31.500 42.336 0.000
+ -31.500 42.784 0.000
+ -31.500 43.232 0.000
+ -31.500 43.680 0.000
+ -31.500 44.128 0.000
+ -31.500 44.576 0.000
+ -28.500 0.224 0.000
+ -28.500 0.672 0.000
+ -28.500 1.120 0.000
+ -28.500 1.568 0.000
+ -28.500 2.016 0.000
+ -28.500 2.464 0.000
+ -28.500 2.912 0.000
+ -28.500 3.360 0.000
+ -28.500 3.808 0.000
+ -28.500 4.256 0.000
+ -28.500 4.704 0.000
+ -28.500 5.152 0.000
+ -28.500 5.600 0.000
+ -28.500 6.048 0.000
+ -28.500 6.496 0.000
+ -28.500 6.944 0.000
+ -28.500 7.392 0.000
+ -28.500 7.840 0.000
+ -28.500 8.288 0.000
+ -28.500 8.736 0.000
+ -28.500 9.184 0.000
+ -28.500 9.632 0.000
+ -28.500 10.080 0.000
+ -28.500 10.528 0.000
+ -28.500 10.976 0.000
+ -28.500 11.424 0.000
+ -28.500 11.872 0.000
+ -28.500 12.320 0.000
+ -28.500 12.768 0.000
+ -28.500 13.216 0.000
+ -28.500 13.664 0.000
+ -28.500 14.112 0.000
+ -28.500 14.560 0.000
+ -28.500 15.008 0.000
+ -28.500 15.456 0.000
+ -28.500 15.904 0.000
+ -28.500 16.352 0.000
+ -28.500 16.800 0.000
+ -28.500 17.248 0.000
+ -28.500 17.696 0.000
+ -28.500 18.144 0.000
+ -28.500 18.592 0.000
+ -28.500 19.040 0.000
+ -28.500 19.488 0.000
+ -28.500 19.936 0.000
+ -28.500 20.384 0.000
+ -28.500 20.832 0.000
+ -28.500 21.280 0.000
+ -28.500 21.728 0.000
+ -28.500 22.176 0.000
+ -28.500 22.624 0.000
+ -28.500 23.072 0.000
+ -28.500 23.520 0.000
+ -28.500 23.968 0.000
+ -28.500 24.416 0.000
+ -28.500 24.864 0.000
+ -28.500 25.312 0.000
+ -28.500 25.760 0.000
+ -28.500 26.208 0.000
+ -28.500 26.656 0.000
+ -28.500 27.104 0.000
+ -28.500 27.552 0.000
+ -28.500 28.000 0.000
+ -28.500 28.448 0.000
+ -28.500 28.896 0.000
+ -28.500 29.344 0.000
+ -28.500 29.792 0.000
+ -28.500 30.240 0.000
+ -28.500 30.688 0.000
+ -28.500 31.136 0.000
+ -28.500 31.584 0.000
+ -28.500 32.032 0.000
+ -28.500 32.480 0.000
+ -28.500 32.928 0.000
+ -28.500 33.376 0.000
+ -28.500 33.824 0.000
+ -28.500 34.272 0.000
+ -28.500 34.720 0.000
+ -28.500 35.168 0.000
+ -28.500 35.616 0.000
+ -28.500 36.064 0.000
+ -28.500 36.512 0.000
+ -28.500 36.960 0.000
+ -28.500 37.408 0.000
+ -28.500 37.856 0.000
+ -28.500 38.304 0.000
+ -28.500 38.752 0.000
+ -28.500 39.200 0.000
+ -28.500 39.648 0.000
+ -28.500 40.096 0.000
+ -28.500 40.544 0.000
+ -28.500 40.992 0.000
+ -28.500 41.440 0.000
+ -28.500 41.888 0.000
+ -28.500 42.336 0.000
+ -28.500 42.784 0.000
+ -28.500 43.232 0.000
+ -28.500 43.680 0.000
+ -28.500 44.128 0.000
+ -28.500 44.576 0.000
+ -25.500 0.224 0.000
+ -25.500 0.672 0.000
+ -25.500 1.120 0.000
+ -25.500 1.568 0.000
+ -25.500 2.016 0.000
+ -25.500 2.464 0.000
+ -25.500 2.912 0.000
+ -25.500 3.360 0.000
+ -25.500 3.808 0.000
+ -25.500 4.256 0.000
+ -25.500 4.704 0.000
+ -25.500 5.152 0.000
+ -25.500 5.600 0.000
+ -25.500 6.048 0.000
+ -25.500 6.496 0.000
+ -25.500 6.944 0.000
+ -25.500 7.392 0.000
+ -25.500 7.840 0.000
+ -25.500 8.288 0.000
+ -25.500 8.736 0.000
+ -25.500 9.184 0.000
+ -25.500 9.632 0.000
+ -25.500 10.080 0.000
+ -25.500 10.528 0.000
+ -25.500 10.976 0.000
+ -25.500 11.424 0.000
+ -25.500 11.872 0.000
+ -25.500 12.320 0.000
+ -25.500 12.768 0.000
+ -25.500 13.216 0.000
+ -25.500 13.664 0.000
+ -25.500 14.112 0.000
+ -25.500 14.560 0.000
+ -25.500 15.008 0.000
+ -25.500 15.456 0.000
+ -25.500 15.904 0.000
+ -25.500 16.352 0.000
+ -25.500 16.800 0.000
+ -25.500 17.248 0.000
+ -25.500 17.696 0.000
+ -25.500 18.144 0.000
+ -25.500 18.592 0.000
+ -25.500 19.040 0.000
+ -25.500 19.488 0.000
+ -25.500 19.936 0.000
+ -25.500 20.384 0.000
+ -25.500 20.832 0.000
+ -25.500 21.280 0.000
+ -25.500 21.728 0.000
+ -25.500 22.176 0.000
+ -25.500 22.624 0.000
+ -25.500 23.072 0.000
+ -25.500 23.520 0.000
+ -25.500 23.968 0.000
+ -25.500 24.416 0.000
+ -25.500 24.864 0.000
+ -25.500 25.312 0.000
+ -25.500 25.760 0.000
+ -25.500 26.208 0.000
+ -25.500 26.656 0.000
+ -25.500 27.104 0.000
+ -25.500 27.552 0.000
+ -25.500 28.000 0.000
+ -25.500 28.448 0.000
+ -25.500 28.896 0.000
+ -25.500 29.344 0.000
+ -25.500 29.792 0.000
+ -25.500 30.240 0.000
+ -25.500 30.688 0.000
+ -25.500 31.136 0.000
+ -25.500 31.584 0.000
+ -25.500 32.032 0.000
+ -25.500 32.480 0.000
+ -25.500 32.928 0.000
+ -25.500 33.376 0.000
+ -25.500 33.824 0.000
+ -25.500 34.272 0.000
+ -25.500 34.720 0.000
+ -25.500 35.168 0.000
+ -25.500 35.616 0.000
+ -25.500 36.064 0.000
+ -25.500 36.512 0.000
+ -25.500 36.960 0.000
+ -25.500 37.408 0.000
+ -25.500 37.856 0.000
+ -25.500 38.304 0.000
+ -25.500 38.752 0.000
+ -25.500 39.200 0.000
+ -25.500 39.648 0.000
+ -25.500 40.096 0.000
+ -25.500 40.544 0.000
+ -25.500 40.992 0.000
+ -25.500 41.440 0.000
+ -25.500 41.888 0.000
+ -25.500 42.336 0.000
+ -25.500 42.784 0.000
+ -25.500 43.232 0.000
+ -25.500 43.680 0.000
+ -25.500 44.128 0.000
+ -25.500 44.576 0.000
+ -22.500 0.224 0.000
+ -22.500 0.672 0.000
+ -22.500 1.120 0.000
+ -22.500 1.568 0.000
+ -22.500 2.016 0.000
+ -22.500 2.464 0.000
+ -22.500 2.912 0.000
+ -22.500 3.360 0.000
+ -22.500 3.808 0.000
+ -22.500 4.256 0.000
+ -22.500 4.704 0.000
+ -22.500 5.152 0.000
+ -22.500 5.600 0.000
+ -22.500 6.048 0.000
+ -22.500 6.496 0.000
+ -22.500 6.944 0.000
+ -22.500 7.392 0.000
+ -22.500 7.840 0.000
+ -22.500 8.288 0.000
+ -22.500 8.736 0.000
+ -22.500 9.184 0.000
+ -22.500 9.632 0.000
+ -22.500 10.080 0.000
+ -22.500 10.528 0.000
+ -22.500 10.976 0.000
+ -22.500 11.424 0.000
+ -22.500 11.872 0.000
+ -22.500 12.320 0.000
+ -22.500 12.768 0.000
+ -22.500 13.216 0.000
+ -22.500 13.664 0.000
+ -22.500 14.112 0.000
+ -22.500 14.560 0.000
+ -22.500 15.008 0.000
+ -22.500 15.456 0.000
+ -22.500 15.904 0.000
+ -22.500 16.352 0.000
+ -22.500 16.800 0.000
+ -22.500 17.248 0.000
+ -22.500 17.696 0.000
+ -22.500 18.144 0.000
+ -22.500 18.592 0.000
+ -22.500 19.040 0.000
+ -22.500 19.488 0.000
+ -22.500 19.936 0.000
+ -22.500 20.384 0.000
+ -22.500 20.832 0.000
+ -22.500 21.280 0.000
+ -22.500 21.728 0.000
+ -22.500 22.176 0.000
+ -22.500 22.624 0.000
+ -22.500 23.072 0.000
+ -22.500 23.520 0.000
+ -22.500 23.968 0.000
+ -22.500 24.416 0.000
+ -22.500 24.864 0.000
+ -22.500 25.312 0.000
+ -22.500 25.760 0.000
+ -22.500 26.208 0.000
+ -22.500 26.656 0.000
+ -22.500 27.104 0.000
+ -22.500 27.552 0.000
+ -22.500 28.000 0.000
+ -22.500 28.448 0.000
+ -22.500 28.896 0.000
+ -22.500 29.344 0.000
+ -22.500 29.792 0.000
+ -22.500 30.240 0.000
+ -22.500 30.688 0.000
+ -22.500 31.136 0.000
+ -22.500 31.584 0.000
+ -22.500 32.032 0.000
+ -22.500 32.480 0.000
+ -22.500 32.928 0.000
+ -22.500 33.376 0.000
+ -22.500 33.824 0.000
+ -22.500 34.272 0.000
+ -22.500 34.720 0.000
+ -22.500 35.168 0.000
+ -22.500 35.616 0.000
+ -22.500 36.064 0.000
+ -22.500 36.512 0.000
+ -22.500 36.960 0.000
+ -22.500 37.408 0.000
+ -22.500 37.856 0.000
+ -22.500 38.304 0.000
+ -22.500 38.752 0.000
+ -22.500 39.200 0.000
+ -22.500 39.648 0.000
+ -22.500 40.096 0.000
+ -22.500 40.544 0.000
+ -22.500 40.992 0.000
+ -22.500 41.440 0.000
+ -22.500 41.888 0.000
+ -22.500 42.336 0.000
+ -22.500 42.784 0.000
+ -22.500 43.232 0.000
+ -22.500 43.680 0.000
+ -22.500 44.128 0.000
+ -22.500 44.576 0.000
+ -19.500 0.224 0.000
+ -19.500 0.672 0.000
+ -19.500 1.120 0.000
+ -19.500 1.568 0.000
+ -19.500 2.016 0.000
+ -19.500 2.464 0.000
+ -19.500 2.912 0.000
+ -19.500 3.360 0.000
+ -19.500 3.808 0.000
+ -19.500 4.256 0.000
+ -19.500 4.704 0.000
+ -19.500 5.152 0.000
+ -19.500 5.600 0.000
+ -19.500 6.048 0.000
+ -19.500 6.496 0.000
+ -19.500 6.944 0.000
+ -19.500 7.392 0.000
+ -19.500 7.840 0.000
+ -19.500 8.288 0.000
+ -19.500 8.736 0.000
+ -19.500 9.184 0.000
+ -19.500 9.632 0.000
+ -19.500 10.080 0.000
+ -19.500 10.528 0.000
+ -19.500 10.976 0.000
+ -19.500 11.424 0.000
+ -19.500 11.872 0.000
+ -19.500 12.320 0.000
+ -19.500 12.768 0.000
+ -19.500 13.216 0.000
+ -19.500 13.664 0.000
+ -19.500 14.112 0.000
+ -19.500 14.560 0.000
+ -19.500 15.008 0.000
+ -19.500 15.456 0.000
+ -19.500 15.904 0.000
+ -19.500 16.352 0.000
+ -19.500 16.800 0.000
+ -19.500 17.248 0.000
+ -19.500 17.696 0.000
+ -19.500 18.144 0.000
+ -19.500 18.592 0.000
+ -19.500 19.040 0.000
+ -19.500 19.488 0.000
+ -19.500 19.936 0.000
+ -19.500 20.384 0.000
+ -19.500 20.832 0.000
+ -19.500 21.280 0.000
+ -19.500 21.728 0.000
+ -19.500 22.176 0.000
+ -19.500 22.624 0.000
+ -19.500 23.072 0.000
+ -19.500 23.520 0.000
+ -19.500 23.968 0.000
+ -19.500 24.416 0.000
+ -19.500 24.864 0.000
+ -19.500 25.312 0.000
+ -19.500 25.760 0.000
+ -19.500 26.208 0.000
+ -19.500 26.656 0.000
+ -19.500 27.104 0.000
+ -19.500 27.552 0.000
+ -19.500 28.000 0.000
+ -19.500 28.448 0.000
+ -19.500 28.896 0.000
+ -19.500 29.344 0.000
+ -19.500 29.792 0.000
+ -19.500 30.240 0.000
+ -19.500 30.688 0.000
+ -19.500 31.136 0.000
+ -19.500 31.584 0.000
+ -19.500 32.032 0.000
+ -19.500 32.480 0.000
+ -19.500 32.928 0.000
+ -19.500 33.376 0.000
+ -19.500 33.824 0.000
+ -19.500 34.272 0.000
+ -19.500 34.720 0.000
+ -19.500 35.168 0.000
+ -19.500 35.616 0.000
+ -19.500 36.064 0.000
+ -19.500 36.512 0.000
+ -19.500 36.960 0.000
+ -19.500 37.408 0.000
+ -19.500 37.856 0.000
+ -19.500 38.304 0.000
+ -19.500 38.752 0.000
+ -19.500 39.200 0.000
+ -19.500 39.648 0.000
+ -19.500 40.096 0.000
+ -19.500 40.544 0.000
+ -19.500 40.992 0.000
+ -19.500 41.440 0.000
+ -19.500 41.888 0.000
+ -19.500 42.336 0.000
+ -19.500 42.784 0.000
+ -19.500 43.232 0.000
+ -19.500 43.680 0.000
+ -19.500 44.128 0.000
+ -19.500 44.576 0.000
+ -16.500 0.224 0.000
+ -16.500 0.672 0.000
+ -16.500 1.120 0.000
+ -16.500 1.568 0.000
+ -16.500 2.016 0.000
+ -16.500 2.464 0.000
+ -16.500 2.912 0.000
+ -16.500 3.360 0.000
+ -16.500 3.808 0.000
+ -16.500 4.256 0.000
+ -16.500 4.704 0.000
+ -16.500 5.152 0.000
+ -16.500 5.600 0.000
+ -16.500 6.048 0.000
+ -16.500 6.496 0.000
+ -16.500 6.944 0.000
+ -16.500 7.392 0.000
+ -16.500 7.840 0.000
+ -16.500 8.288 0.000
+ -16.500 8.736 0.000
+ -16.500 9.184 0.000
+ -16.500 9.632 0.000
+ -16.500 10.080 0.000
+ -16.500 10.528 0.000
+ -16.500 10.976 0.000
+ -16.500 11.424 0.000
+ -16.500 11.872 0.000
+ -16.500 12.320 0.000
+ -16.500 12.768 0.000
+ -16.500 13.216 0.000
+ -16.500 13.664 0.000
+ -16.500 14.112 0.000
+ -16.500 14.560 0.000
+ -16.500 15.008 0.000
+ -16.500 15.456 0.000
+ -16.500 15.904 0.000
+ -16.500 16.352 0.000
+ -16.500 16.800 0.000
+ -16.500 17.248 0.000
+ -16.500 17.696 0.000
+ -16.500 18.144 0.000
+ -16.500 18.592 0.000
+ -16.500 19.040 0.000
+ -16.500 19.488 0.000
+ -16.500 19.936 0.000
+ -16.500 20.384 0.000
+ -16.500 20.832 0.000
+ -16.500 21.280 0.000
+ -16.500 21.728 0.000
+ -16.500 22.176 0.000
+ -16.500 22.624 0.000
+ -16.500 23.072 0.000
+ -16.500 23.520 0.000
+ -16.500 23.968 0.000
+ -16.500 24.416 0.000
+ -16.500 24.864 0.000
+ -16.500 25.312 0.000
+ -16.500 25.760 0.000
+ -16.500 26.208 0.000
+ -16.500 26.656 0.000
+ -16.500 27.104 0.000
+ -16.500 27.552 0.000
+ -16.500 28.000 0.000
+ -16.500 28.448 0.000
+ -16.500 28.896 0.000
+ -16.500 29.344 0.000
+ -16.500 29.792 0.000
+ -16.500 30.240 0.000
+ -16.500 30.688 0.000
+ -16.500 31.136 0.000
+ -16.500 31.584 0.000
+ -16.500 32.032 0.000
+ -16.500 32.480 0.000
+ -16.500 32.928 0.000
+ -16.500 33.376 0.000
+ -16.500 33.824 0.000
+ -16.500 34.272 0.000
+ -16.500 34.720 0.000
+ -16.500 35.168 0.000
+ -16.500 35.616 0.000
+ -16.500 36.064 0.000
+ -16.500 36.512 0.000
+ -16.500 36.960 0.000
+ -16.500 37.408 0.000
+ -16.500 37.856 0.000
+ -16.500 38.304 0.000
+ -16.500 38.752 0.000
+ -16.500 39.200 0.000
+ -16.500 39.648 0.000
+ -16.500 40.096 0.000
+ -16.500 40.544 0.000
+ -16.500 40.992 0.000
+ -16.500 41.440 0.000
+ -16.500 41.888 0.000
+ -16.500 42.336 0.000
+ -16.500 42.784 0.000
+ -16.500 43.232 0.000
+ -16.500 43.680 0.000
+ -16.500 44.128 0.000
+ -16.500 44.576 0.000
+ -13.500 0.224 0.000
+ -13.500 0.672 0.000
+ -13.500 1.120 0.000
+ -13.500 1.568 0.000
+ -13.500 2.016 0.000
+ -13.500 2.464 0.000
+ -13.500 2.912 0.000
+ -13.500 3.360 0.000
+ -13.500 3.808 0.000
+ -13.500 4.256 0.000
+ -13.500 4.704 0.000
+ -13.500 5.152 0.000
+ -13.500 5.600 0.000
+ -13.500 6.048 0.000
+ -13.500 6.496 0.000
+ -13.500 6.944 0.000
+ -13.500 7.392 0.000
+ -13.500 7.840 0.000
+ -13.500 8.288 0.000
+ -13.500 8.736 0.000
+ -13.500 9.184 0.000
+ -13.500 9.632 0.000
+ -13.500 10.080 0.000
+ -13.500 10.528 0.000
+ -13.500 10.976 0.000
+ -13.500 11.424 0.000
+ -13.500 11.872 0.000
+ -13.500 12.320 0.000
+ -13.500 12.768 0.000
+ -13.500 13.216 0.000
+ -13.500 13.664 0.000
+ -13.500 14.112 0.000
+ -13.500 14.560 0.000
+ -13.500 15.008 0.000
+ -13.500 15.456 0.000
+ -13.500 15.904 0.000
+ -13.500 16.352 0.000
+ -13.500 16.800 0.000
+ -13.500 17.248 0.000
+ -13.500 17.696 0.000
+ -13.500 18.144 0.000
+ -13.500 18.592 0.000
+ -13.500 19.040 0.000
+ -13.500 19.488 0.000
+ -13.500 19.936 0.000
+ -13.500 20.384 0.000
+ -13.500 20.832 0.000
+ -13.500 21.280 0.000
+ -13.500 21.728 0.000
+ -13.500 22.176 0.000
+ -13.500 22.624 0.000
+ -13.500 23.072 0.000
+ -13.500 23.520 0.000
+ -13.500 23.968 0.000
+ -13.500 24.416 0.000
+ -13.500 24.864 0.000
+ -13.500 25.312 0.000
+ -13.500 25.760 0.000
+ -13.500 26.208 0.000
+ -13.500 26.656 0.000
+ -13.500 27.104 0.000
+ -13.500 27.552 0.000
+ -13.500 28.000 0.000
+ -13.500 28.448 0.000
+ -13.500 28.896 0.000
+ -13.500 29.344 0.000
+ -13.500 29.792 0.000
+ -13.500 30.240 0.000
+ -13.500 30.688 0.000
+ -13.500 31.136 0.000
+ -13.500 31.584 0.000
+ -13.500 32.032 0.000
+ -13.500 32.480 0.000
+ -13.500 32.928 0.000
+ -13.500 33.376 0.000
+ -13.500 33.824 0.000
+ -13.500 34.272 0.000
+ -13.500 34.720 0.000
+ -13.500 35.168 0.000
+ -13.500 35.616 0.000
+ -13.500 36.064 0.000
+ -13.500 36.512 0.000
+ -13.500 36.960 0.000
+ -13.500 37.408 0.000
+ -13.500 37.856 0.000
+ -13.500 38.304 0.000
+ -13.500 38.752 0.000
+ -13.500 39.200 0.000
+ -13.500 39.648 0.000
+ -13.500 40.096 0.000
+ -13.500 40.544 0.000
+ -13.500 40.992 0.000
+ -13.500 41.440 0.000
+ -13.500 41.888 0.000
+ -13.500 42.336 0.000
+ -13.500 42.784 0.000
+ -13.500 43.232 0.000
+ -13.500 43.680 0.000
+ -13.500 44.128 0.000
+ -13.500 44.576 0.000
+ -10.500 0.224 0.000
+ -10.500 0.672 0.000
+ -10.500 1.120 0.000
+ -10.500 1.568 0.000
+ -10.500 2.016 0.000
+ -10.500 2.464 0.000
+ -10.500 2.912 0.000
+ -10.500 3.360 0.000
+ -10.500 3.808 0.000
+ -10.500 4.256 0.000
+ -10.500 4.704 0.000
+ -10.500 5.152 0.000
+ -10.500 5.600 0.000
+ -10.500 6.048 0.000
+ -10.500 6.496 0.000
+ -10.500 6.944 0.000
+ -10.500 7.392 0.000
+ -10.500 7.840 0.000
+ -10.500 8.288 0.000
+ -10.500 8.736 0.000
+ -10.500 9.184 0.000
+ -10.500 9.632 0.000
+ -10.500 10.080 0.000
+ -10.500 10.528 0.000
+ -10.500 10.976 0.000
+ -10.500 11.424 0.000
+ -10.500 11.872 0.000
+ -10.500 12.320 0.000
+ -10.500 12.768 0.000
+ -10.500 13.216 0.000
+ -10.500 13.664 0.000
+ -10.500 14.112 0.000
+ -10.500 14.560 0.000
+ -10.500 15.008 0.000
+ -10.500 15.456 0.000
+ -10.500 15.904 0.000
+ -10.500 16.352 0.000
+ -10.500 16.800 0.000
+ -10.500 17.248 0.000
+ -10.500 17.696 0.000
+ -10.500 18.144 0.000
+ -10.500 18.592 0.000
+ -10.500 19.040 0.000
+ -10.500 19.488 0.000
+ -10.500 19.936 0.000
+ -10.500 20.384 0.000
+ -10.500 20.832 0.000
+ -10.500 21.280 0.000
+ -10.500 21.728 0.000
+ -10.500 22.176 0.000
+ -10.500 22.624 0.000
+ -10.500 23.072 0.000
+ -10.500 23.520 0.000
+ -10.500 23.968 0.000
+ -10.500 24.416 0.000
+ -10.500 24.864 0.000
+ -10.500 25.312 0.000
+ -10.500 25.760 0.000
+ -10.500 26.208 0.000
+ -10.500 26.656 0.000
+ -10.500 27.104 0.000
+ -10.500 27.552 0.000
+ -10.500 28.000 0.000
+ -10.500 28.448 0.000
+ -10.500 28.896 0.000
+ -10.500 29.344 0.000
+ -10.500 29.792 0.000
+ -10.500 30.240 0.000
+ -10.500 30.688 0.000
+ -10.500 31.136 0.000
+ -10.500 31.584 0.000
+ -10.500 32.032 0.000
+ -10.500 32.480 0.000
+ -10.500 32.928 0.000
+ -10.500 33.376 0.000
+ -10.500 33.824 0.000
+ -10.500 34.272 0.000
+ -10.500 34.720 0.000
+ -10.500 35.168 0.000
+ -10.500 35.616 0.000
+ -10.500 36.064 0.000
+ -10.500 36.512 0.000
+ -10.500 36.960 0.000
+ -10.500 37.408 0.000
+ -10.500 37.856 0.000
+ -10.500 38.304 0.000
+ -10.500 38.752 0.000
+ -10.500 39.200 0.000
+ -10.500 39.648 0.000
+ -10.500 40.096 0.000
+ -10.500 40.544 0.000
+ -10.500 40.992 0.000
+ -10.500 41.440 0.000
+ -10.500 41.888 0.000
+ -10.500 42.336 0.000
+ -10.500 42.784 0.000
+ -10.500 43.232 0.000
+ -10.500 43.680 0.000
+ -10.500 44.128 0.000
+ -10.500 44.576 0.000
+ -7.500 0.224 0.000
+ -7.500 0.672 0.000
+ -7.500 1.120 0.000
+ -7.500 1.568 0.000
+ -7.500 2.016 0.000
+ -7.500 2.464 0.000
+ -7.500 2.912 0.000
+ -7.500 3.360 0.000
+ -7.500 3.808 0.000
+ -7.500 4.256 0.000
+ -7.500 4.704 0.000
+ -7.500 5.152 0.000
+ -7.500 5.600 0.000
+ -7.500 6.048 0.000
+ -7.500 6.496 0.000
+ -7.500 6.944 0.000
+ -7.500 7.392 0.000
+ -7.500 7.840 0.000
+ -7.500 8.288 0.000
+ -7.500 8.736 0.000
+ -7.500 9.184 0.000
+ -7.500 9.632 0.000
+ -7.500 10.080 0.000
+ -7.500 10.528 0.000
+ -7.500 10.976 0.000
+ -7.500 11.424 0.000
+ -7.500 11.872 0.000
+ -7.500 12.320 0.000
+ -7.500 12.768 0.000
+ -7.500 13.216 0.000
+ -7.500 13.664 0.000
+ -7.500 14.112 0.000
+ -7.500 14.560 0.000
+ -7.500 15.008 0.000
+ -7.500 15.456 0.000
+ -7.500 15.904 0.000
+ -7.500 16.352 0.000
+ -7.500 16.800 0.000
+ -7.500 17.248 0.000
+ -7.500 17.696 0.000
+ -7.500 18.144 0.000
+ -7.500 18.592 0.000
+ -7.500 19.040 0.000
+ -7.500 19.488 0.000
+ -7.500 19.936 0.000
+ -7.500 20.384 0.000
+ -7.500 20.832 0.000
+ -7.500 21.280 0.000
+ -7.500 21.728 0.000
+ -7.500 22.176 0.000
+ -7.500 22.624 0.000
+ -7.500 23.072 0.000
+ -7.500 23.520 0.000
+ -7.500 23.968 0.000
+ -7.500 24.416 0.000
+ -7.500 24.864 0.000
+ -7.500 25.312 0.000
+ -7.500 25.760 0.000
+ -7.500 26.208 0.000
+ -7.500 26.656 0.000
+ -7.500 27.104 0.000
+ -7.500 27.552 0.000
+ -7.500 28.000 0.000
+ -7.500 28.448 0.000
+ -7.500 28.896 0.000
+ -7.500 29.344 0.000
+ -7.500 29.792 0.000
+ -7.500 30.240 0.000
+ -7.500 30.688 0.000
+ -7.500 31.136 0.000
+ -7.500 31.584 0.000
+ -7.500 32.032 0.000
+ -7.500 32.480 0.000
+ -7.500 32.928 0.000
+ -7.500 33.376 0.000
+ -7.500 33.824 0.000
+ -7.500 34.272 0.000
+ -7.500 34.720 0.000
+ -7.500 35.168 0.000
+ -7.500 35.616 0.000
+ -7.500 36.064 0.000
+ -7.500 36.512 0.000
+ -7.500 36.960 0.000
+ -7.500 37.408 0.000
+ -7.500 37.856 0.000
+ -7.500 38.304 0.000
+ -7.500 38.752 0.000
+ -7.500 39.200 0.000
+ -7.500 39.648 0.000
+ -7.500 40.096 0.000
+ -7.500 40.544 0.000
+ -7.500 40.992 0.000
+ -7.500 41.440 0.000
+ -7.500 41.888 0.000
+ -7.500 42.336 0.000
+ -7.500 42.784 0.000
+ -7.500 43.232 0.000
+ -7.500 43.680 0.000
+ -7.500 44.128 0.000
+ -7.500 44.576 0.000
+ -4.500 0.224 0.000
+ -4.500 0.672 0.000
+ -4.500 1.120 0.000
+ -4.500 1.568 0.000
+ -4.500 2.016 0.000
+ -4.500 2.464 0.000
+ -4.500 2.912 0.000
+ -4.500 3.360 0.000
+ -4.500 3.808 0.000
+ -4.500 4.256 0.000
+ -4.500 4.704 0.000
+ -4.500 5.152 0.000
+ -4.500 5.600 0.000
+ -4.500 6.048 0.000
+ -4.500 6.496 0.000
+ -4.500 6.944 0.000
+ -4.500 7.392 0.000
+ -4.500 7.840 0.000
+ -4.500 8.288 0.000
+ -4.500 8.736 0.000
+ -4.500 9.184 0.000
+ -4.500 9.632 0.000
+ -4.500 10.080 0.000
+ -4.500 10.528 0.000
+ -4.500 10.976 0.000
+ -4.500 11.424 0.000
+ -4.500 11.872 0.000
+ -4.500 12.320 0.000
+ -4.500 12.768 0.000
+ -4.500 13.216 0.000
+ -4.500 13.664 0.000
+ -4.500 14.112 0.000
+ -4.500 14.560 0.000
+ -4.500 15.008 0.000
+ -4.500 15.456 0.000
+ -4.500 15.904 0.000
+ -4.500 16.352 0.000
+ -4.500 16.800 0.000
+ -4.500 17.248 0.000
+ -4.500 17.696 0.000
+ -4.500 18.144 0.000
+ -4.500 18.592 0.000
+ -4.500 19.040 0.000
+ -4.500 19.488 0.000
+ -4.500 19.936 0.000
+ -4.500 20.384 0.000
+ -4.500 20.832 0.000
+ -4.500 21.280 0.000
+ -4.500 21.728 0.000
+ -4.500 22.176 0.000
+ -4.500 22.624 0.000
+ -4.500 23.072 0.000
+ -4.500 23.520 0.000
+ -4.500 23.968 0.000
+ -4.500 24.416 0.000
+ -4.500 24.864 0.000
+ -4.500 25.312 0.000
+ -4.500 25.760 0.000
+ -4.500 26.208 0.000
+ -4.500 26.656 0.000
+ -4.500 27.104 0.000
+ -4.500 27.552 0.000
+ -4.500 28.000 0.000
+ -4.500 28.448 0.000
+ -4.500 28.896 0.000
+ -4.500 29.344 0.000
+ -4.500 29.792 0.000
+ -4.500 30.240 0.000
+ -4.500 30.688 0.000
+ -4.500 31.136 0.000
+ -4.500 31.584 0.000
+ -4.500 32.032 0.000
+ -4.500 32.480 0.000
+ -4.500 32.928 0.000
+ -4.500 33.376 0.000
+ -4.500 33.824 0.000
+ -4.500 34.272 0.000
+ -4.500 34.720 0.000
+ -4.500 35.168 0.000
+ -4.500 35.616 0.000
+ -4.500 36.064 0.000
+ -4.500 36.512 0.000
+ -4.500 36.960 0.000
+ -4.500 37.408 0.000
+ -4.500 37.856 0.000
+ -4.500 38.304 0.000
+ -4.500 38.752 0.000
+ -4.500 39.200 0.000
+ -4.500 39.648 0.000
+ -4.500 40.096 0.000
+ -4.500 40.544 0.000
+ -4.500 40.992 0.000
+ -4.500 41.440 0.000
+ -4.500 41.888 0.000
+ -4.500 42.336 0.000
+ -4.500 42.784 0.000
+ -4.500 43.232 0.000
+ -4.500 43.680 0.000
+ -4.500 44.128 0.000
+ -4.500 44.576 0.000
+ -1.500 0.224 2.000
+ -1.500 0.672 3.333
+ -1.500 1.120 9.333
+ -1.500 1.568 9.667
+ -1.500 2.016 6.000
+ -1.500 2.464 7.000
+ -1.500 2.912 5.667
+ -1.500 3.360 10.000
+ -1.500 3.808 7.000
+ -1.500 4.256 9.667
+ -1.500 4.704 7.667
+ -1.500 5.152 6.000
+ -1.500 5.600 6.667
+ -1.500 6.048 7.000
+ -1.500 6.496 10.000
+ -1.500 6.944 9.000
+ -1.500 7.392 8.667
+ -1.500 7.840 6.000
+ -1.500 8.288 8.667
+ -1.500 8.736 10.667
+ -1.500 9.184 9.667
+ -1.500 9.632 7.000
+ -1.500 10.080 9.667
+ -1.500 10.528 5.000
+ -1.500 10.976 7.333
+ -1.500 11.424 11.333
+ -1.500 11.872 11.333
+ -1.500 12.320 5.667
+ -1.500 12.768 11.333
+ -1.500 13.216 6.667
+ -1.500 13.664 8.333
+ -1.500 14.112 7.333
+ -1.500 14.560 7.333
+ -1.500 15.008 6.000
+ -1.500 15.456 8.333
+ -1.500 15.904 11.667
+ -1.500 16.352 7.667
+ -1.500 16.800 6.333
+ -1.500 17.248 7.333
+ -1.500 17.696 10.000
+ -1.500 18.144 10.000
+ -1.500 18.592 7.667
+ -1.500 19.040 11.333
+ -1.500 19.488 6.333
+ -1.500 19.936 7.333
+ -1.500 20.384 12.333
+ -1.500 20.832 8.000
+ -1.500 21.280 8.000
+ -1.500 21.728 9.667
+ -1.500 22.176 4.667
+ -1.500 22.624 13.333
+ -1.500 23.072 7.000
+ -1.500 23.520 8.000
+ -1.500 23.968 11.000
+ -1.500 24.416 9.000
+ -1.500 24.864 8.000
+ -1.500 25.312 9.333
+ -1.500 25.760 10.333
+ -1.500 26.208 7.667
+ -1.500 26.656 10.000
+ -1.500 27.104 6.333
+ -1.500 27.552 9.333
+ -1.500 28.000 8.667
+ -1.500 28.448 5.667
+ -1.500 28.896 10.333
+ -1.500 29.344 8.000
+ -1.500 29.792 9.667
+ -1.500 30.240 7.000
+ -1.500 30.688 7.667
+ -1.500 31.136 7.667
+ -1.500 31.584 10.333
+ -1.500 32.032 8.000
+ -1.500 32.480 7.333
+ -1.500 32.928 11.333
+ -1.500 33.376 9.000
+ -1.500 33.824 4.000
+ -1.500 34.272 4.333
+ -1.500 34.720 11.333
+ -1.500 35.168 7.000
+ -1.500 35.616 4.667
+ -1.500 36.064 8.000
+ -1.500 36.512 7.667
+ -1.500 36.960 10.333
+ -1.500 37.408 10.333
+ -1.500 37.856 7.000
+ -1.500 38.304 6.667
+ -1.500 38.752 7.667
+ -1.500 39.200 7.000
+ -1.500 39.648 10.333
+ -1.500 40.096 7.333
+ -1.500 40.544 7.667
+ -1.500 40.992 7.667
+ -1.500 41.440 9.333
+ -1.500 41.888 10.000
+ -1.500 42.336 6.667
+ -1.500 42.784 5.333
+ -1.500 43.232 11.333
+ -1.500 43.680 5.000
+ -1.500 44.128 8.667
+ -1.500 44.576 22.333
+ 1.500 0.224 16.667
+ 1.500 0.672 14.000
+ 1.500 1.120 9.333
+ 1.500 1.568 10.000
+ 1.500 2.016 7.000
+ 1.500 2.464 11.667
+ 1.500 2.912 5.667
+ 1.500 3.360 5.333
+ 1.500 3.808 9.667
+ 1.500 4.256 9.333
+ 1.500 4.704 7.667
+ 1.500 5.152 9.000
+ 1.500 5.600 8.333
+ 1.500 6.048 8.000
+ 1.500 6.496 9.000
+ 1.500 6.944 9.333
+ 1.500 7.392 8.000
+ 1.500 7.840 14.667
+ 1.500 8.288 6.000
+ 1.500 8.736 4.000
+ 1.500 9.184 8.333
+ 1.500 9.632 9.333
+ 1.500 10.080 11.000
+ 1.500 10.528 12.000
+ 1.500 10.976 7.333
+ 1.500 11.424 5.000
+ 1.500 11.872 9.333
+ 1.500 12.320 4.667
+ 1.500 12.768 8.667
+ 1.500 13.216 10.333
+ 1.500 13.664 9.667
+ 1.500 14.112 14.333
+ 1.500 14.560 6.000
+ 1.500 15.008 4.000
+ 1.500 15.456 7.667
+ 1.500 15.904 9.333
+ 1.500 16.352 12.333
+ 1.500 16.800 7.667
+ 1.500 17.248 8.333
+ 1.500 17.696 6.000
+ 1.500 18.144 9.333
+ 1.500 18.592 9.000
+ 1.500 19.040 5.667
+ 1.500 19.488 8.000
+ 1.500 19.936 7.667
+ 1.500 20.384 7.667
+ 1.500 20.832 6.667
+ 1.500 21.280 10.000
+ 1.500 21.728 9.000
+ 1.500 22.176 9.000
+ 1.500 22.624 11.000
+ 1.500 23.072 6.000
+ 1.500 23.520 10.000
+ 1.500 23.968 9.333
+ 1.500 24.416 5.333
+ 1.500 24.864 8.333
+ 1.500 25.312 7.333
+ 1.500 25.760 5.667
+ 1.500 26.208 8.000
+ 1.500 26.656 12.667
+ 1.500 27.104 10.333
+ 1.500 27.552 9.000
+ 1.500 28.000 6.667
+ 1.500 28.448 5.333
+ 1.500 28.896 7.000
+ 1.500 29.344 13.000
+ 1.500 29.792 12.333
+ 1.500 30.240 8.333
+ 1.500 30.688 2.333
+ 1.500 31.136 10.000
+ 1.500 31.584 8.667
+ 1.500 32.032 12.667
+ 1.500 32.480 7.000
+ 1.500 32.928 8.333
+ 1.500 33.376 8.000
+ 1.500 33.824 11.333
+ 1.500 34.272 10.333
+ 1.500 34.720 4.667
+ 1.500 35.168 7.667
+ 1.500 35.616 8.333
+ 1.500 36.064 9.667
+ 1.500 36.512 11.000
+ 1.500 36.960 8.333
+ 1.500 37.408 6.333
+ 1.500 37.856 7.333
+ 1.500 38.304 7.333
+ 1.500 38.752 13.000
+ 1.500 39.200 9.000
+ 1.500 39.648 6.667
+ 1.500 40.096 8.667
+ 1.500 40.544 7.333
+ 1.500 40.992 8.333
+ 1.500 41.440 10.667
+ 1.500 41.888 7.000
+ 1.500 42.336 9.333
+ 1.500 42.784 7.667
+ 1.500 43.232 8.000
+ 1.500 43.680 10.000
+ 1.500 44.128 4.000
+ 1.500 44.576 1.000
+ 4.500 0.224 0.000
+ 4.500 0.672 0.000
+ 4.500 1.120 0.000
+ 4.500 1.568 0.000
+ 4.500 2.016 0.000
+ 4.500 2.464 0.000
+ 4.500 2.912 0.000
+ 4.500 3.360 0.000
+ 4.500 3.808 0.000
+ 4.500 4.256 0.000
+ 4.500 4.704 0.000
+ 4.500 5.152 0.000
+ 4.500 5.600 0.000
+ 4.500 6.048 0.000
+ 4.500 6.496 0.000
+ 4.500 6.944 0.000
+ 4.500 7.392 0.000
+ 4.500 7.840 0.000
+ 4.500 8.288 0.000
+ 4.500 8.736 0.000
+ 4.500 9.184 0.000
+ 4.500 9.632 0.000
+ 4.500 10.080 0.000
+ 4.500 10.528 0.000
+ 4.500 10.976 0.000
+ 4.500 11.424 0.000
+ 4.500 11.872 0.000
+ 4.500 12.320 0.000
+ 4.500 12.768 0.000
+ 4.500 13.216 0.000
+ 4.500 13.664 0.000
+ 4.500 14.112 0.000
+ 4.500 14.560 0.000
+ 4.500 15.008 0.000
+ 4.500 15.456 0.000
+ 4.500 15.904 0.000
+ 4.500 16.352 0.000
+ 4.500 16.800 0.000
+ 4.500 17.248 0.000
+ 4.500 17.696 0.000
+ 4.500 18.144 0.000
+ 4.500 18.592 0.000
+ 4.500 19.040 0.000
+ 4.500 19.488 0.000
+ 4.500 19.936 0.000
+ 4.500 20.384 0.000
+ 4.500 20.832 0.000
+ 4.500 21.280 0.000
+ 4.500 21.728 0.000
+ 4.500 22.176 0.000
+ 4.500 22.624 0.000
+ 4.500 23.072 0.000
+ 4.500 23.520 0.000
+ 4.500 23.968 0.000
+ 4.500 24.416 0.000
+ 4.500 24.864 0.000
+ 4.500 25.312 0.000
+ 4.500 25.760 0.000
+ 4.500 26.208 0.000
+ 4.500 26.656 0.000
+ 4.500 27.104 0.000
+ 4.500 27.552 0.000
+ 4.500 28.000 0.000
+ 4.500 28.448 0.000
+ 4.500 28.896 0.000
+ 4.500 29.344 0.000
+ 4.500 29.792 0.000
+ 4.500 30.240 0.000
+ 4.500 30.688 0.000
+ 4.500 31.136 0.000
+ 4.500 31.584 0.000
+ 4.500 32.032 0.000
+ 4.500 32.480 0.000
+ 4.500 32.928 0.000
+ 4.500 33.376 0.000
+ 4.500 33.824 0.000
+ 4.500 34.272 0.000
+ 4.500 34.720 0.000
+ 4.500 35.168 0.000
+ 4.500 35.616 0.000
+ 4.500 36.064 0.000
+ 4.500 36.512 0.000
+ 4.500 36.960 0.000
+ 4.500 37.408 0.000
+ 4.500 37.856 0.000
+ 4.500 38.304 0.000
+ 4.500 38.752 0.000
+ 4.500 39.200 0.000
+ 4.500 39.648 0.000
+ 4.500 40.096 0.000
+ 4.500 40.544 0.000
+ 4.500 40.992 0.000
+ 4.500 41.440 0.000
+ 4.500 41.888 0.000
+ 4.500 42.336 0.000
+ 4.500 42.784 0.000
+ 4.500 43.232 0.000
+ 4.500 43.680 0.000
+ 4.500 44.128 0.000
+ 4.500 44.576 0.000
+ 7.500 0.224 0.000
+ 7.500 0.672 0.000
+ 7.500 1.120 0.000
+ 7.500 1.568 0.000
+ 7.500 2.016 0.000
+ 7.500 2.464 0.000
+ 7.500 2.912 0.000
+ 7.500 3.360 0.000
+ 7.500 3.808 0.000
+ 7.500 4.256 0.000
+ 7.500 4.704 0.000
+ 7.500 5.152 0.000
+ 7.500 5.600 0.000
+ 7.500 6.048 0.000
+ 7.500 6.496 0.000
+ 7.500 6.944 0.000
+ 7.500 7.392 0.000
+ 7.500 7.840 0.000
+ 7.500 8.288 0.000
+ 7.500 8.736 0.000
+ 7.500 9.184 0.000
+ 7.500 9.632 0.000
+ 7.500 10.080 0.000
+ 7.500 10.528 0.000
+ 7.500 10.976 0.000
+ 7.500 11.424 0.000
+ 7.500 11.872 0.000
+ 7.500 12.320 0.000
+ 7.500 12.768 0.000
+ 7.500 13.216 0.000
+ 7.500 13.664 0.000
+ 7.500 14.112 0.000
+ 7.500 14.560 0.000
+ 7.500 15.008 0.000
+ 7.500 15.456 0.000
+ 7.500 15.904 0.000
+ 7.500 16.352 0.000
+ 7.500 16.800 0.000
+ 7.500 17.248 0.000
+ 7.500 17.696 0.000
+ 7.500 18.144 0.000
+ 7.500 18.592 0.000
+ 7.500 19.040 0.000
+ 7.500 19.488 0.000
+ 7.500 19.936 0.000
+ 7.500 20.384 0.000
+ 7.500 20.832 0.000
+ 7.500 21.280 0.000
+ 7.500 21.728 0.000
+ 7.500 22.176 0.000
+ 7.500 22.624 0.000
+ 7.500 23.072 0.000
+ 7.500 23.520 0.000
+ 7.500 23.968 0.000
+ 7.500 24.416 0.000
+ 7.500 24.864 0.000
+ 7.500 25.312 0.000
+ 7.500 25.760 0.000
+ 7.500 26.208 0.000
+ 7.500 26.656 0.000
+ 7.500 27.104 0.000
+ 7.500 27.552 0.000
+ 7.500 28.000 0.000
+ 7.500 28.448 0.000
+ 7.500 28.896 0.000
+ 7.500 29.344 0.000
+ 7.500 29.792 0.000
+ 7.500 30.240 0.000
+ 7.500 30.688 0.000
+ 7.500 31.136 0.000
+ 7.500 31.584 0.000
+ 7.500 32.032 0.000
+ 7.500 32.480 0.000
+ 7.500 32.928 0.000
+ 7.500 33.376 0.000
+ 7.500 33.824 0.000
+ 7.500 34.272 0.000
+ 7.500 34.720 0.000
+ 7.500 35.168 0.000
+ 7.500 35.616 0.000
+ 7.500 36.064 0.000
+ 7.500 36.512 0.000
+ 7.500 36.960 0.000
+ 7.500 37.408 0.000
+ 7.500 37.856 0.000
+ 7.500 38.304 0.000
+ 7.500 38.752 0.000
+ 7.500 39.200 0.000
+ 7.500 39.648 0.000
+ 7.500 40.096 0.000
+ 7.500 40.544 0.000
+ 7.500 40.992 0.000
+ 7.500 41.440 0.000
+ 7.500 41.888 0.000
+ 7.500 42.336 0.000
+ 7.500 42.784 0.000
+ 7.500 43.232 0.000
+ 7.500 43.680 0.000
+ 7.500 44.128 0.000
+ 7.500 44.576 0.000
+ 10.500 0.224 0.000
+ 10.500 0.672 0.000
+ 10.500 1.120 0.000
+ 10.500 1.568 0.000
+ 10.500 2.016 0.000
+ 10.500 2.464 0.000
+ 10.500 2.912 0.000
+ 10.500 3.360 0.000
+ 10.500 3.808 0.000
+ 10.500 4.256 0.000
+ 10.500 4.704 0.000
+ 10.500 5.152 0.000
+ 10.500 5.600 0.000
+ 10.500 6.048 0.000
+ 10.500 6.496 0.000
+ 10.500 6.944 0.000
+ 10.500 7.392 0.000
+ 10.500 7.840 0.000
+ 10.500 8.288 0.000
+ 10.500 8.736 0.000
+ 10.500 9.184 0.000
+ 10.500 9.632 0.000
+ 10.500 10.080 0.000
+ 10.500 10.528 0.000
+ 10.500 10.976 0.000
+ 10.500 11.424 0.000
+ 10.500 11.872 0.000
+ 10.500 12.320 0.000
+ 10.500 12.768 0.000
+ 10.500 13.216 0.000
+ 10.500 13.664 0.000
+ 10.500 14.112 0.000
+ 10.500 14.560 0.000
+ 10.500 15.008 0.000
+ 10.500 15.456 0.000
+ 10.500 15.904 0.000
+ 10.500 16.352 0.000
+ 10.500 16.800 0.000
+ 10.500 17.248 0.000
+ 10.500 17.696 0.000
+ 10.500 18.144 0.000
+ 10.500 18.592 0.000
+ 10.500 19.040 0.000
+ 10.500 19.488 0.000
+ 10.500 19.936 0.000
+ 10.500 20.384 0.000
+ 10.500 20.832 0.000
+ 10.500 21.280 0.000
+ 10.500 21.728 0.000
+ 10.500 22.176 0.000
+ 10.500 22.624 0.000
+ 10.500 23.072 0.000
+ 10.500 23.520 0.000
+ 10.500 23.968 0.000
+ 10.500 24.416 0.000
+ 10.500 24.864 0.000
+ 10.500 25.312 0.000
+ 10.500 25.760 0.000
+ 10.500 26.208 0.000
+ 10.500 26.656 0.000
+ 10.500 27.104 0.000
+ 10.500 27.552 0.000
+ 10.500 28.000 0.000
+ 10.500 28.448 0.000
+ 10.500 28.896 0.000
+ 10.500 29.344 0.000
+ 10.500 29.792 0.000
+ 10.500 30.240 0.000
+ 10.500 30.688 0.000
+ 10.500 31.136 0.000
+ 10.500 31.584 0.000
+ 10.500 32.032 0.000
+ 10.500 32.480 0.000
+ 10.500 32.928 0.000
+ 10.500 33.376 0.000
+ 10.500 33.824 0.000
+ 10.500 34.272 0.000
+ 10.500 34.720 0.000
+ 10.500 35.168 0.000
+ 10.500 35.616 0.000
+ 10.500 36.064 0.000
+ 10.500 36.512 0.000
+ 10.500 36.960 0.000
+ 10.500 37.408 0.000
+ 10.500 37.856 0.000
+ 10.500 38.304 0.000
+ 10.500 38.752 0.000
+ 10.500 39.200 0.000
+ 10.500 39.648 0.000
+ 10.500 40.096 0.000
+ 10.500 40.544 0.000
+ 10.500 40.992 0.000
+ 10.500 41.440 0.000
+ 10.500 41.888 0.000
+ 10.500 42.336 0.000
+ 10.500 42.784 0.000
+ 10.500 43.232 0.000
+ 10.500 43.680 0.000
+ 10.500 44.128 0.000
+ 10.500 44.576 0.000
+ 13.500 0.224 0.000
+ 13.500 0.672 0.000
+ 13.500 1.120 0.000
+ 13.500 1.568 0.000
+ 13.500 2.016 0.000
+ 13.500 2.464 0.000
+ 13.500 2.912 0.000
+ 13.500 3.360 0.000
+ 13.500 3.808 0.000
+ 13.500 4.256 0.000
+ 13.500 4.704 0.000
+ 13.500 5.152 0.000
+ 13.500 5.600 0.000
+ 13.500 6.048 0.000
+ 13.500 6.496 0.000
+ 13.500 6.944 0.000
+ 13.500 7.392 0.000
+ 13.500 7.840 0.000
+ 13.500 8.288 0.000
+ 13.500 8.736 0.000
+ 13.500 9.184 0.000
+ 13.500 9.632 0.000
+ 13.500 10.080 0.000
+ 13.500 10.528 0.000
+ 13.500 10.976 0.000
+ 13.500 11.424 0.000
+ 13.500 11.872 0.000
+ 13.500 12.320 0.000
+ 13.500 12.768 0.000
+ 13.500 13.216 0.000
+ 13.500 13.664 0.000
+ 13.500 14.112 0.000
+ 13.500 14.560 0.000
+ 13.500 15.008 0.000
+ 13.500 15.456 0.000
+ 13.500 15.904 0.000
+ 13.500 16.352 0.000
+ 13.500 16.800 0.000
+ 13.500 17.248 0.000
+ 13.500 17.696 0.000
+ 13.500 18.144 0.000
+ 13.500 18.592 0.000
+ 13.500 19.040 0.000
+ 13.500 19.488 0.000
+ 13.500 19.936 0.000
+ 13.500 20.384 0.000
+ 13.500 20.832 0.000
+ 13.500 21.280 0.000
+ 13.500 21.728 0.000
+ 13.500 22.176 0.000
+ 13.500 22.624 0.000
+ 13.500 23.072 0.000
+ 13.500 23.520 0.000
+ 13.500 23.968 0.000
+ 13.500 24.416 0.000
+ 13.500 24.864 0.000
+ 13.500 25.312 0.000
+ 13.500 25.760 0.000
+ 13.500 26.208 0.000
+ 13.500 26.656 0.000
+ 13.500 27.104 0.000
+ 13.500 27.552 0.000
+ 13.500 28.000 0.000
+ 13.500 28.448 0.000
+ 13.500 28.896 0.000
+ 13.500 29.344 0.000
+ 13.500 29.792 0.000
+ 13.500 30.240 0.000
+ 13.500 30.688 0.000
+ 13.500 31.136 0.000
+ 13.500 31.584 0.000
+ 13.500 32.032 0.000
+ 13.500 32.480 0.000
+ 13.500 32.928 0.000
+ 13.500 33.376 0.000
+ 13.500 33.824 0.000
+ 13.500 34.272 0.000
+ 13.500 34.720 0.000
+ 13.500 35.168 0.000
+ 13.500 35.616 0.000
+ 13.500 36.064 0.000
+ 13.500 36.512 0.000
+ 13.500 36.960 0.000
+ 13.500 37.408 0.000
+ 13.500 37.856 0.000
+ 13.500 38.304 0.000
+ 13.500 38.752 0.000
+ 13.500 39.200 0.000
+ 13.500 39.648 0.000
+ 13.500 40.096 0.000
+ 13.500 40.544 0.000
+ 13.500 40.992 0.000
+ 13.500 41.440 0.000
+ 13.500 41.888 0.000
+ 13.500 42.336 0.000
+ 13.500 42.784 0.000
+ 13.500 43.232 0.000
+ 13.500 43.680 0.000
+ 13.500 44.128 0.000
+ 13.500 44.576 0.000
+ 16.500 0.224 0.000
+ 16.500 0.672 0.000
+ 16.500 1.120 0.000
+ 16.500 1.568 0.000
+ 16.500 2.016 0.000
+ 16.500 2.464 0.000
+ 16.500 2.912 0.000
+ 16.500 3.360 0.000
+ 16.500 3.808 0.000
+ 16.500 4.256 0.000
+ 16.500 4.704 0.000
+ 16.500 5.152 0.000
+ 16.500 5.600 0.000
+ 16.500 6.048 0.000
+ 16.500 6.496 0.000
+ 16.500 6.944 0.000
+ 16.500 7.392 0.000
+ 16.500 7.840 0.000
+ 16.500 8.288 0.000
+ 16.500 8.736 0.000
+ 16.500 9.184 0.000
+ 16.500 9.632 0.000
+ 16.500 10.080 0.000
+ 16.500 10.528 0.000
+ 16.500 10.976 0.000
+ 16.500 11.424 0.000
+ 16.500 11.872 0.000
+ 16.500 12.320 0.000
+ 16.500 12.768 0.000
+ 16.500 13.216 0.000
+ 16.500 13.664 0.000
+ 16.500 14.112 0.000
+ 16.500 14.560 0.000
+ 16.500 15.008 0.000
+ 16.500 15.456 0.000
+ 16.500 15.904 0.000
+ 16.500 16.352 0.000
+ 16.500 16.800 0.000
+ 16.500 17.248 0.000
+ 16.500 17.696 0.000
+ 16.500 18.144 0.000
+ 16.500 18.592 0.000
+ 16.500 19.040 0.000
+ 16.500 19.488 0.000
+ 16.500 19.936 0.000
+ 16.500 20.384 0.000
+ 16.500 20.832 0.000
+ 16.500 21.280 0.000
+ 16.500 21.728 0.000
+ 16.500 22.176 0.000
+ 16.500 22.624 0.000
+ 16.500 23.072 0.000
+ 16.500 23.520 0.000
+ 16.500 23.968 0.000
+ 16.500 24.416 0.000
+ 16.500 24.864 0.000
+ 16.500 25.312 0.000
+ 16.500 25.760 0.000
+ 16.500 26.208 0.000
+ 16.500 26.656 0.000
+ 16.500 27.104 0.000
+ 16.500 27.552 0.000
+ 16.500 28.000 0.000
+ 16.500 28.448 0.000
+ 16.500 28.896 0.000
+ 16.500 29.344 0.000
+ 16.500 29.792 0.000
+ 16.500 30.240 0.000
+ 16.500 30.688 0.000
+ 16.500 31.136 0.000
+ 16.500 31.584 0.000
+ 16.500 32.032 0.000
+ 16.500 32.480 0.000
+ 16.500 32.928 0.000
+ 16.500 33.376 0.000
+ 16.500 33.824 0.000
+ 16.500 34.272 0.000
+ 16.500 34.720 0.000
+ 16.500 35.168 0.000
+ 16.500 35.616 0.000
+ 16.500 36.064 0.000
+ 16.500 36.512 0.000
+ 16.500 36.960 0.000
+ 16.500 37.408 0.000
+ 16.500 37.856 0.000
+ 16.500 38.304 0.000
+ 16.500 38.752 0.000
+ 16.500 39.200 0.000
+ 16.500 39.648 0.000
+ 16.500 40.096 0.000
+ 16.500 40.544 0.000
+ 16.500 40.992 0.000
+ 16.500 41.440 0.000
+ 16.500 41.888 0.000
+ 16.500 42.336 0.000
+ 16.500 42.784 0.000
+ 16.500 43.232 0.000
+ 16.500 43.680 0.000
+ 16.500 44.128 0.000
+ 16.500 44.576 0.000
+ 19.500 0.224 0.000
+ 19.500 0.672 0.000
+ 19.500 1.120 0.000
+ 19.500 1.568 0.000
+ 19.500 2.016 0.000
+ 19.500 2.464 0.000
+ 19.500 2.912 0.000
+ 19.500 3.360 0.000
+ 19.500 3.808 0.000
+ 19.500 4.256 0.000
+ 19.500 4.704 0.000
+ 19.500 5.152 0.000
+ 19.500 5.600 0.000
+ 19.500 6.048 0.000
+ 19.500 6.496 0.000
+ 19.500 6.944 0.000
+ 19.500 7.392 0.000
+ 19.500 7.840 0.000
+ 19.500 8.288 0.000
+ 19.500 8.736 0.000
+ 19.500 9.184 0.000
+ 19.500 9.632 0.000
+ 19.500 10.080 0.000
+ 19.500 10.528 0.000
+ 19.500 10.976 0.000
+ 19.500 11.424 0.000
+ 19.500 11.872 0.000
+ 19.500 12.320 0.000
+ 19.500 12.768 0.000
+ 19.500 13.216 0.000
+ 19.500 13.664 0.000
+ 19.500 14.112 0.000
+ 19.500 14.560 0.000
+ 19.500 15.008 0.000
+ 19.500 15.456 0.000
+ 19.500 15.904 0.000
+ 19.500 16.352 0.000
+ 19.500 16.800 0.000
+ 19.500 17.248 0.000
+ 19.500 17.696 0.000
+ 19.500 18.144 0.000
+ 19.500 18.592 0.000
+ 19.500 19.040 0.000
+ 19.500 19.488 0.000
+ 19.500 19.936 0.000
+ 19.500 20.384 0.000
+ 19.500 20.832 0.000
+ 19.500 21.280 0.000
+ 19.500 21.728 0.000
+ 19.500 22.176 0.000
+ 19.500 22.624 0.000
+ 19.500 23.072 0.000
+ 19.500 23.520 0.000
+ 19.500 23.968 0.000
+ 19.500 24.416 0.000
+ 19.500 24.864 0.000
+ 19.500 25.312 0.000
+ 19.500 25.760 0.000
+ 19.500 26.208 0.000
+ 19.500 26.656 0.000
+ 19.500 27.104 0.000
+ 19.500 27.552 0.000
+ 19.500 28.000 0.000
+ 19.500 28.448 0.000
+ 19.500 28.896 0.000
+ 19.500 29.344 0.000
+ 19.500 29.792 0.000
+ 19.500 30.240 0.000
+ 19.500 30.688 0.000
+ 19.500 31.136 0.000
+ 19.500 31.584 0.000
+ 19.500 32.032 0.000
+ 19.500 32.480 0.000
+ 19.500 32.928 0.000
+ 19.500 33.376 0.000
+ 19.500 33.824 0.000
+ 19.500 34.272 0.000
+ 19.500 34.720 0.000
+ 19.500 35.168 0.000
+ 19.500 35.616 0.000
+ 19.500 36.064 0.000
+ 19.500 36.512 0.000
+ 19.500 36.960 0.000
+ 19.500 37.408 0.000
+ 19.500 37.856 0.000
+ 19.500 38.304 0.000
+ 19.500 38.752 0.000
+ 19.500 39.200 0.000
+ 19.500 39.648 0.000
+ 19.500 40.096 0.000
+ 19.500 40.544 0.000
+ 19.500 40.992 0.000
+ 19.500 41.440 0.000
+ 19.500 41.888 0.000
+ 19.500 42.336 0.000
+ 19.500 42.784 0.000
+ 19.500 43.232 0.000
+ 19.500 43.680 0.000
+ 19.500 44.128 0.000
+ 19.500 44.576 0.000
+ 22.500 0.224 0.000
+ 22.500 0.672 0.000
+ 22.500 1.120 0.000
+ 22.500 1.568 0.000
+ 22.500 2.016 0.000
+ 22.500 2.464 0.000
+ 22.500 2.912 0.000
+ 22.500 3.360 0.000
+ 22.500 3.808 0.000
+ 22.500 4.256 0.000
+ 22.500 4.704 0.000
+ 22.500 5.152 0.000
+ 22.500 5.600 0.000
+ 22.500 6.048 0.000
+ 22.500 6.496 0.000
+ 22.500 6.944 0.000
+ 22.500 7.392 0.000
+ 22.500 7.840 0.000
+ 22.500 8.288 0.000
+ 22.500 8.736 0.000
+ 22.500 9.184 0.000
+ 22.500 9.632 0.000
+ 22.500 10.080 0.000
+ 22.500 10.528 0.000
+ 22.500 10.976 0.000
+ 22.500 11.424 0.000
+ 22.500 11.872 0.000
+ 22.500 12.320 0.000
+ 22.500 12.768 0.000
+ 22.500 13.216 0.000
+ 22.500 13.664 0.000
+ 22.500 14.112 0.000
+ 22.500 14.560 0.000
+ 22.500 15.008 0.000
+ 22.500 15.456 0.000
+ 22.500 15.904 0.000
+ 22.500 16.352 0.000
+ 22.500 16.800 0.000
+ 22.500 17.248 0.000
+ 22.500 17.696 0.000
+ 22.500 18.144 0.000
+ 22.500 18.592 0.000
+ 22.500 19.040 0.000
+ 22.500 19.488 0.000
+ 22.500 19.936 0.000
+ 22.500 20.384 0.000
+ 22.500 20.832 0.000
+ 22.500 21.280 0.000
+ 22.500 21.728 0.000
+ 22.500 22.176 0.000
+ 22.500 22.624 0.000
+ 22.500 23.072 0.000
+ 22.500 23.520 0.000
+ 22.500 23.968 0.000
+ 22.500 24.416 0.000
+ 22.500 24.864 0.000
+ 22.500 25.312 0.000
+ 22.500 25.760 0.000
+ 22.500 26.208 0.000
+ 22.500 26.656 0.000
+ 22.500 27.104 0.000
+ 22.500 27.552 0.000
+ 22.500 28.000 0.000
+ 22.500 28.448 0.000
+ 22.500 28.896 0.000
+ 22.500 29.344 0.000
+ 22.500 29.792 0.000
+ 22.500 30.240 0.000
+ 22.500 30.688 0.000
+ 22.500 31.136 0.000
+ 22.500 31.584 0.000
+ 22.500 32.032 0.000
+ 22.500 32.480 0.000
+ 22.500 32.928 0.000
+ 22.500 33.376 0.000
+ 22.500 33.824 0.000
+ 22.500 34.272 0.000
+ 22.500 34.720 0.000
+ 22.500 35.168 0.000
+ 22.500 35.616 0.000
+ 22.500 36.064 0.000
+ 22.500 36.512 0.000
+ 22.500 36.960 0.000
+ 22.500 37.408 0.000
+ 22.500 37.856 0.000
+ 22.500 38.304 0.000
+ 22.500 38.752 0.000
+ 22.500 39.200 0.000
+ 22.500 39.648 0.000
+ 22.500 40.096 0.000
+ 22.500 40.544 0.000
+ 22.500 40.992 0.000
+ 22.500 41.440 0.000
+ 22.500 41.888 0.000
+ 22.500 42.336 0.000
+ 22.500 42.784 0.000
+ 22.500 43.232 0.000
+ 22.500 43.680 0.000
+ 22.500 44.128 0.000
+ 22.500 44.576 0.000
+ 25.500 0.224 0.000
+ 25.500 0.672 0.000
+ 25.500 1.120 0.000
+ 25.500 1.568 0.000
+ 25.500 2.016 0.000
+ 25.500 2.464 0.000
+ 25.500 2.912 0.000
+ 25.500 3.360 0.000
+ 25.500 3.808 0.000
+ 25.500 4.256 0.000
+ 25.500 4.704 0.000
+ 25.500 5.152 0.000
+ 25.500 5.600 0.000
+ 25.500 6.048 0.000
+ 25.500 6.496 0.000
+ 25.500 6.944 0.000
+ 25.500 7.392 0.000
+ 25.500 7.840 0.000
+ 25.500 8.288 0.000
+ 25.500 8.736 0.000
+ 25.500 9.184 0.000
+ 25.500 9.632 0.000
+ 25.500 10.080 0.000
+ 25.500 10.528 0.000
+ 25.500 10.976 0.000
+ 25.500 11.424 0.000
+ 25.500 11.872 0.000
+ 25.500 12.320 0.000
+ 25.500 12.768 0.000
+ 25.500 13.216 0.000
+ 25.500 13.664 0.000
+ 25.500 14.112 0.000
+ 25.500 14.560 0.000
+ 25.500 15.008 0.000
+ 25.500 15.456 0.000
+ 25.500 15.904 0.000
+ 25.500 16.352 0.000
+ 25.500 16.800 0.000
+ 25.500 17.248 0.000
+ 25.500 17.696 0.000
+ 25.500 18.144 0.000
+ 25.500 18.592 0.000
+ 25.500 19.040 0.000
+ 25.500 19.488 0.000
+ 25.500 19.936 0.000
+ 25.500 20.384 0.000
+ 25.500 20.832 0.000
+ 25.500 21.280 0.000
+ 25.500 21.728 0.000
+ 25.500 22.176 0.000
+ 25.500 22.624 0.000
+ 25.500 23.072 0.000
+ 25.500 23.520 0.000
+ 25.500 23.968 0.000
+ 25.500 24.416 0.000
+ 25.500 24.864 0.000
+ 25.500 25.312 0.000
+ 25.500 25.760 0.000
+ 25.500 26.208 0.000
+ 25.500 26.656 0.000
+ 25.500 27.104 0.000
+ 25.500 27.552 0.000
+ 25.500 28.000 0.000
+ 25.500 28.448 0.000
+ 25.500 28.896 0.000
+ 25.500 29.344 0.000
+ 25.500 29.792 0.000
+ 25.500 30.240 0.000
+ 25.500 30.688 0.000
+ 25.500 31.136 0.000
+ 25.500 31.584 0.000
+ 25.500 32.032 0.000
+ 25.500 32.480 0.000
+ 25.500 32.928 0.000
+ 25.500 33.376 0.000
+ 25.500 33.824 0.000
+ 25.500 34.272 0.000
+ 25.500 34.720 0.000
+ 25.500 35.168 0.000
+ 25.500 35.616 0.000
+ 25.500 36.064 0.000
+ 25.500 36.512 0.000
+ 25.500 36.960 0.000
+ 25.500 37.408 0.000
+ 25.500 37.856 0.000
+ 25.500 38.304 0.000
+ 25.500 38.752 0.000
+ 25.500 39.200 0.000
+ 25.500 39.648 0.000
+ 25.500 40.096 0.000
+ 25.500 40.544 0.000
+ 25.500 40.992 0.000
+ 25.500 41.440 0.000
+ 25.500 41.888 0.000
+ 25.500 42.336 0.000
+ 25.500 42.784 0.000
+ 25.500 43.232 0.000
+ 25.500 43.680 0.000
+ 25.500 44.128 0.000
+ 25.500 44.576 0.000
+ 28.500 0.224 0.000
+ 28.500 0.672 0.000
+ 28.500 1.120 0.000
+ 28.500 1.568 0.000
+ 28.500 2.016 0.000
+ 28.500 2.464 0.000
+ 28.500 2.912 0.000
+ 28.500 3.360 0.000
+ 28.500 3.808 0.000
+ 28.500 4.256 0.000
+ 28.500 4.704 0.000
+ 28.500 5.152 0.000
+ 28.500 5.600 0.000
+ 28.500 6.048 0.000
+ 28.500 6.496 0.000
+ 28.500 6.944 0.000
+ 28.500 7.392 0.000
+ 28.500 7.840 0.000
+ 28.500 8.288 0.000
+ 28.500 8.736 0.000
+ 28.500 9.184 0.000
+ 28.500 9.632 0.000
+ 28.500 10.080 0.000
+ 28.500 10.528 0.000
+ 28.500 10.976 0.000
+ 28.500 11.424 0.000
+ 28.500 11.872 0.000
+ 28.500 12.320 0.000
+ 28.500 12.768 0.000
+ 28.500 13.216 0.000
+ 28.500 13.664 0.000
+ 28.500 14.112 0.000
+ 28.500 14.560 0.000
+ 28.500 15.008 0.000
+ 28.500 15.456 0.000
+ 28.500 15.904 0.000
+ 28.500 16.352 0.000
+ 28.500 16.800 0.000
+ 28.500 17.248 0.000
+ 28.500 17.696 0.000
+ 28.500 18.144 0.000
+ 28.500 18.592 0.000
+ 28.500 19.040 0.000
+ 28.500 19.488 0.000
+ 28.500 19.936 0.000
+ 28.500 20.384 0.000
+ 28.500 20.832 0.000
+ 28.500 21.280 0.000
+ 28.500 21.728 0.000
+ 28.500 22.176 0.000
+ 28.500 22.624 0.000
+ 28.500 23.072 0.000
+ 28.500 23.520 0.000
+ 28.500 23.968 0.000
+ 28.500 24.416 0.000
+ 28.500 24.864 0.000
+ 28.500 25.312 0.000
+ 28.500 25.760 0.000
+ 28.500 26.208 0.000
+ 28.500 26.656 0.000
+ 28.500 27.104 0.000
+ 28.500 27.552 0.000
+ 28.500 28.000 0.000
+ 28.500 28.448 0.000
+ 28.500 28.896 0.000
+ 28.500 29.344 0.000
+ 28.500 29.792 0.000
+ 28.500 30.240 0.000
+ 28.500 30.688 0.000
+ 28.500 31.136 0.000
+ 28.500 31.584 0.000
+ 28.500 32.032 0.000
+ 28.500 32.480 0.000
+ 28.500 32.928 0.000
+ 28.500 33.376 0.000
+ 28.500 33.824 0.000
+ 28.500 34.272 0.000
+ 28.500 34.720 0.000
+ 28.500 35.168 0.000
+ 28.500 35.616 0.000
+ 28.500 36.064 0.000
+ 28.500 36.512 0.000
+ 28.500 36.960 0.000
+ 28.500 37.408 0.000
+ 28.500 37.856 0.000
+ 28.500 38.304 0.000
+ 28.500 38.752 0.000
+ 28.500 39.200 0.000
+ 28.500 39.648 0.000
+ 28.500 40.096 0.000
+ 28.500 40.544 0.000
+ 28.500 40.992 0.000
+ 28.500 41.440 0.000
+ 28.500 41.888 0.000
+ 28.500 42.336 0.000
+ 28.500 42.784 0.000
+ 28.500 43.232 0.000
+ 28.500 43.680 0.000
+ 28.500 44.128 0.000
+ 28.500 44.576 0.000
+ 31.500 0.224 0.000
+ 31.500 0.672 0.000
+ 31.500 1.120 0.000
+ 31.500 1.568 0.000
+ 31.500 2.016 0.000
+ 31.500 2.464 0.000
+ 31.500 2.912 0.000
+ 31.500 3.360 0.000
+ 31.500 3.808 0.000
+ 31.500 4.256 0.000
+ 31.500 4.704 0.000
+ 31.500 5.152 0.000
+ 31.500 5.600 0.000
+ 31.500 6.048 0.000
+ 31.500 6.496 0.000
+ 31.500 6.944 0.000
+ 31.500 7.392 0.000
+ 31.500 7.840 0.000
+ 31.500 8.288 0.000
+ 31.500 8.736 0.000
+ 31.500 9.184 0.000
+ 31.500 9.632 0.000
+ 31.500 10.080 0.000
+ 31.500 10.528 0.000
+ 31.500 10.976 0.000
+ 31.500 11.424 0.000
+ 31.500 11.872 0.000
+ 31.500 12.320 0.000
+ 31.500 12.768 0.000
+ 31.500 13.216 0.000
+ 31.500 13.664 0.000
+ 31.500 14.112 0.000
+ 31.500 14.560 0.000
+ 31.500 15.008 0.000
+ 31.500 15.456 0.000
+ 31.500 15.904 0.000
+ 31.500 16.352 0.000
+ 31.500 16.800 0.000
+ 31.500 17.248 0.000
+ 31.500 17.696 0.000
+ 31.500 18.144 0.000
+ 31.500 18.592 0.000
+ 31.500 19.040 0.000
+ 31.500 19.488 0.000
+ 31.500 19.936 0.000
+ 31.500 20.384 0.000
+ 31.500 20.832 0.000
+ 31.500 21.280 0.000
+ 31.500 21.728 0.000
+ 31.500 22.176 0.000
+ 31.500 22.624 0.000
+ 31.500 23.072 0.000
+ 31.500 23.520 0.000
+ 31.500 23.968 0.000
+ 31.500 24.416 0.000
+ 31.500 24.864 0.000
+ 31.500 25.312 0.000
+ 31.500 25.760 0.000
+ 31.500 26.208 0.000
+ 31.500 26.656 0.000
+ 31.500 27.104 0.000
+ 31.500 27.552 0.000
+ 31.500 28.000 0.000
+ 31.500 28.448 0.000
+ 31.500 28.896 0.000
+ 31.500 29.344 0.000
+ 31.500 29.792 0.000
+ 31.500 30.240 0.000
+ 31.500 30.688 0.000
+ 31.500 31.136 0.000
+ 31.500 31.584 0.000
+ 31.500 32.032 0.000
+ 31.500 32.480 0.000
+ 31.500 32.928 0.000
+ 31.500 33.376 0.000
+ 31.500 33.824 0.000
+ 31.500 34.272 0.000
+ 31.500 34.720 0.000
+ 31.500 35.168 0.000
+ 31.500 35.616 0.000
+ 31.500 36.064 0.000
+ 31.500 36.512 0.000
+ 31.500 36.960 0.000
+ 31.500 37.408 0.000
+ 31.500 37.856 0.000
+ 31.500 38.304 0.000
+ 31.500 38.752 0.000
+ 31.500 39.200 0.000
+ 31.500 39.648 0.000
+ 31.500 40.096 0.000
+ 31.500 40.544 0.000
+ 31.500 40.992 0.000
+ 31.500 41.440 0.000
+ 31.500 41.888 0.000
+ 31.500 42.336 0.000
+ 31.500 42.784 0.000
+ 31.500 43.232 0.000
+ 31.500 43.680 0.000
+ 31.500 44.128 0.000
+ 31.500 44.576 0.000
+ 34.500 0.224 0.000
+ 34.500 0.672 0.000
+ 34.500 1.120 0.000
+ 34.500 1.568 0.000
+ 34.500 2.016 0.000
+ 34.500 2.464 0.000
+ 34.500 2.912 0.000
+ 34.500 3.360 0.000
+ 34.500 3.808 0.000
+ 34.500 4.256 0.000
+ 34.500 4.704 0.000
+ 34.500 5.152 0.000
+ 34.500 5.600 0.000
+ 34.500 6.048 0.000
+ 34.500 6.496 0.000
+ 34.500 6.944 0.000
+ 34.500 7.392 0.000
+ 34.500 7.840 0.000
+ 34.500 8.288 0.000
+ 34.500 8.736 0.000
+ 34.500 9.184 0.000
+ 34.500 9.632 0.000
+ 34.500 10.080 0.000
+ 34.500 10.528 0.000
+ 34.500 10.976 0.000
+ 34.500 11.424 0.000
+ 34.500 11.872 0.000
+ 34.500 12.320 0.000
+ 34.500 12.768 0.000
+ 34.500 13.216 0.000
+ 34.500 13.664 0.000
+ 34.500 14.112 0.000
+ 34.500 14.560 0.000
+ 34.500 15.008 0.000
+ 34.500 15.456 0.000
+ 34.500 15.904 0.000
+ 34.500 16.352 0.000
+ 34.500 16.800 0.000
+ 34.500 17.248 0.000
+ 34.500 17.696 0.000
+ 34.500 18.144 0.000
+ 34.500 18.592 0.000
+ 34.500 19.040 0.000
+ 34.500 19.488 0.000
+ 34.500 19.936 0.000
+ 34.500 20.384 0.000
+ 34.500 20.832 0.000
+ 34.500 21.280 0.000
+ 34.500 21.728 0.000
+ 34.500 22.176 0.000
+ 34.500 22.624 0.000
+ 34.500 23.072 0.000
+ 34.500 23.520 0.000
+ 34.500 23.968 0.000
+ 34.500 24.416 0.000
+ 34.500 24.864 0.000
+ 34.500 25.312 0.000
+ 34.500 25.760 0.000
+ 34.500 26.208 0.000
+ 34.500 26.656 0.000
+ 34.500 27.104 0.000
+ 34.500 27.552 0.000
+ 34.500 28.000 0.000
+ 34.500 28.448 0.000
+ 34.500 28.896 0.000
+ 34.500 29.344 0.000
+ 34.500 29.792 0.000
+ 34.500 30.240 0.000
+ 34.500 30.688 0.000
+ 34.500 31.136 0.000
+ 34.500 31.584 0.000
+ 34.500 32.032 0.000
+ 34.500 32.480 0.000
+ 34.500 32.928 0.000
+ 34.500 33.376 0.000
+ 34.500 33.824 0.000
+ 34.500 34.272 0.000
+ 34.500 34.720 0.000
+ 34.500 35.168 0.000
+ 34.500 35.616 0.000
+ 34.500 36.064 0.000
+ 34.500 36.512 0.000
+ 34.500 36.960 0.000
+ 34.500 37.408 0.000
+ 34.500 37.856 0.000
+ 34.500 38.304 0.000
+ 34.500 38.752 0.000
+ 34.500 39.200 0.000
+ 34.500 39.648 0.000
+ 34.500 40.096 0.000
+ 34.500 40.544 0.000
+ 34.500 40.992 0.000
+ 34.500 41.440 0.000
+ 34.500 41.888 0.000
+ 34.500 42.336 0.000
+ 34.500 42.784 0.000
+ 34.500 43.232 0.000
+ 34.500 43.680 0.000
+ 34.500 44.128 0.000
+ 34.500 44.576 0.000
+ 37.500 0.224 0.000
+ 37.500 0.672 0.000
+ 37.500 1.120 0.000
+ 37.500 1.568 0.000
+ 37.500 2.016 0.000
+ 37.500 2.464 0.000
+ 37.500 2.912 0.000
+ 37.500 3.360 0.000
+ 37.500 3.808 0.000
+ 37.500 4.256 0.000
+ 37.500 4.704 0.000
+ 37.500 5.152 0.000
+ 37.500 5.600 0.000
+ 37.500 6.048 0.000
+ 37.500 6.496 0.000
+ 37.500 6.944 0.000
+ 37.500 7.392 0.000
+ 37.500 7.840 0.000
+ 37.500 8.288 0.000
+ 37.500 8.736 0.000
+ 37.500 9.184 0.000
+ 37.500 9.632 0.000
+ 37.500 10.080 0.000
+ 37.500 10.528 0.000
+ 37.500 10.976 0.000
+ 37.500 11.424 0.000
+ 37.500 11.872 0.000
+ 37.500 12.320 0.000
+ 37.500 12.768 0.000
+ 37.500 13.216 0.000
+ 37.500 13.664 0.000
+ 37.500 14.112 0.000
+ 37.500 14.560 0.000
+ 37.500 15.008 0.000
+ 37.500 15.456 0.000
+ 37.500 15.904 0.000
+ 37.500 16.352 0.000
+ 37.500 16.800 0.000
+ 37.500 17.248 0.000
+ 37.500 17.696 0.000
+ 37.500 18.144 0.000
+ 37.500 18.592 0.000
+ 37.500 19.040 0.000
+ 37.500 19.488 0.000
+ 37.500 19.936 0.000
+ 37.500 20.384 0.000
+ 37.500 20.832 0.000
+ 37.500 21.280 0.000
+ 37.500 21.728 0.000
+ 37.500 22.176 0.000
+ 37.500 22.624 0.000
+ 37.500 23.072 0.000
+ 37.500 23.520 0.000
+ 37.500 23.968 0.000
+ 37.500 24.416 0.000
+ 37.500 24.864 0.000
+ 37.500 25.312 0.000
+ 37.500 25.760 0.000
+ 37.500 26.208 0.000
+ 37.500 26.656 0.000
+ 37.500 27.104 0.000
+ 37.500 27.552 0.000
+ 37.500 28.000 0.000
+ 37.500 28.448 0.000
+ 37.500 28.896 0.000
+ 37.500 29.344 0.000
+ 37.500 29.792 0.000
+ 37.500 30.240 0.000
+ 37.500 30.688 0.000
+ 37.500 31.136 0.000
+ 37.500 31.584 0.000
+ 37.500 32.032 0.000
+ 37.500 32.480 0.000
+ 37.500 32.928 0.000
+ 37.500 33.376 0.000
+ 37.500 33.824 0.000
+ 37.500 34.272 0.000
+ 37.500 34.720 0.000
+ 37.500 35.168 0.000
+ 37.500 35.616 0.000
+ 37.500 36.064 0.000
+ 37.500 36.512 0.000
+ 37.500 36.960 0.000
+ 37.500 37.408 0.000
+ 37.500 37.856 0.000
+ 37.500 38.304 0.000
+ 37.500 38.752 0.000
+ 37.500 39.200 0.000
+ 37.500 39.648 0.000
+ 37.500 40.096 0.000
+ 37.500 40.544 0.000
+ 37.500 40.992 0.000
+ 37.500 41.440 0.000
+ 37.500 41.888 0.000
+ 37.500 42.336 0.000
+ 37.500 42.784 0.000
+ 37.500 43.232 0.000
+ 37.500 43.680 0.000
+ 37.500 44.128 0.000
+ 37.500 44.576 0.000
+ 40.500 0.224 0.000
+ 40.500 0.672 0.000
+ 40.500 1.120 0.000
+ 40.500 1.568 0.000
+ 40.500 2.016 0.000
+ 40.500 2.464 0.000
+ 40.500 2.912 0.000
+ 40.500 3.360 0.000
+ 40.500 3.808 0.000
+ 40.500 4.256 0.000
+ 40.500 4.704 0.000
+ 40.500 5.152 0.000
+ 40.500 5.600 0.000
+ 40.500 6.048 0.000
+ 40.500 6.496 0.000
+ 40.500 6.944 0.000
+ 40.500 7.392 0.000
+ 40.500 7.840 0.000
+ 40.500 8.288 0.000
+ 40.500 8.736 0.000
+ 40.500 9.184 0.000
+ 40.500 9.632 0.000
+ 40.500 10.080 0.000
+ 40.500 10.528 0.000
+ 40.500 10.976 0.000
+ 40.500 11.424 0.000
+ 40.500 11.872 0.000
+ 40.500 12.320 0.000
+ 40.500 12.768 0.000
+ 40.500 13.216 0.000
+ 40.500 13.664 0.000
+ 40.500 14.112 0.000
+ 40.500 14.560 0.000
+ 40.500 15.008 0.000
+ 40.500 15.456 0.000
+ 40.500 15.904 0.000
+ 40.500 16.352 0.000
+ 40.500 16.800 0.000
+ 40.500 17.248 0.000
+ 40.500 17.696 0.000
+ 40.500 18.144 0.000
+ 40.500 18.592 0.000
+ 40.500 19.040 0.000
+ 40.500 19.488 0.000
+ 40.500 19.936 0.000
+ 40.500 20.384 0.000
+ 40.500 20.832 0.000
+ 40.500 21.280 0.000
+ 40.500 21.728 0.000
+ 40.500 22.176 0.000
+ 40.500 22.624 0.000
+ 40.500 23.072 0.000
+ 40.500 23.520 0.000
+ 40.500 23.968 0.000
+ 40.500 24.416 0.000
+ 40.500 24.864 0.000
+ 40.500 25.312 0.000
+ 40.500 25.760 0.000
+ 40.500 26.208 0.000
+ 40.500 26.656 0.000
+ 40.500 27.104 0.000
+ 40.500 27.552 0.000
+ 40.500 28.000 0.000
+ 40.500 28.448 0.000
+ 40.500 28.896 0.000
+ 40.500 29.344 0.000
+ 40.500 29.792 0.000
+ 40.500 30.240 0.000
+ 40.500 30.688 0.000
+ 40.500 31.136 0.000
+ 40.500 31.584 0.000
+ 40.500 32.032 0.000
+ 40.500 32.480 0.000
+ 40.500 32.928 0.000
+ 40.500 33.376 0.000
+ 40.500 33.824 0.000
+ 40.500 34.272 0.000
+ 40.500 34.720 0.000
+ 40.500 35.168 0.000
+ 40.500 35.616 0.000
+ 40.500 36.064 0.000
+ 40.500 36.512 0.000
+ 40.500 36.960 0.000
+ 40.500 37.408 0.000
+ 40.500 37.856 0.000
+ 40.500 38.304 0.000
+ 40.500 38.752 0.000
+ 40.500 39.200 0.000
+ 40.500 39.648 0.000
+ 40.500 40.096 0.000
+ 40.500 40.544 0.000
+ 40.500 40.992 0.000
+ 40.500 41.440 0.000
+ 40.500 41.888 0.000
+ 40.500 42.336 0.000
+ 40.500 42.784 0.000
+ 40.500 43.232 0.000
+ 40.500 43.680 0.000
+ 40.500 44.128 0.000
+ 40.500 44.576 0.000
+ 43.500 0.224 0.000
+ 43.500 0.672 0.000
+ 43.500 1.120 0.000
+ 43.500 1.568 0.000
+ 43.500 2.016 0.000
+ 43.500 2.464 0.000
+ 43.500 2.912 0.000
+ 43.500 3.360 0.000
+ 43.500 3.808 0.000
+ 43.500 4.256 0.000
+ 43.500 4.704 0.000
+ 43.500 5.152 0.000
+ 43.500 5.600 0.000
+ 43.500 6.048 0.000
+ 43.500 6.496 0.000
+ 43.500 6.944 0.000
+ 43.500 7.392 0.000
+ 43.500 7.840 0.000
+ 43.500 8.288 0.000
+ 43.500 8.736 0.000
+ 43.500 9.184 0.000
+ 43.500 9.632 0.000
+ 43.500 10.080 0.000
+ 43.500 10.528 0.000
+ 43.500 10.976 0.000
+ 43.500 11.424 0.000
+ 43.500 11.872 0.000
+ 43.500 12.320 0.000
+ 43.500 12.768 0.000
+ 43.500 13.216 0.000
+ 43.500 13.664 0.000
+ 43.500 14.112 0.000
+ 43.500 14.560 0.000
+ 43.500 15.008 0.000
+ 43.500 15.456 0.000
+ 43.500 15.904 0.000
+ 43.500 16.352 0.000
+ 43.500 16.800 0.000
+ 43.500 17.248 0.000
+ 43.500 17.696 0.000
+ 43.500 18.144 0.000
+ 43.500 18.592 0.000
+ 43.500 19.040 0.000
+ 43.500 19.488 0.000
+ 43.500 19.936 0.000
+ 43.500 20.384 0.000
+ 43.500 20.832 0.000
+ 43.500 21.280 0.000
+ 43.500 21.728 0.000
+ 43.500 22.176 0.000
+ 43.500 22.624 0.000
+ 43.500 23.072 0.000
+ 43.500 23.520 0.000
+ 43.500 23.968 0.000
+ 43.500 24.416 0.000
+ 43.500 24.864 0.000
+ 43.500 25.312 0.000
+ 43.500 25.760 0.000
+ 43.500 26.208 0.000
+ 43.500 26.656 0.000
+ 43.500 27.104 0.000
+ 43.500 27.552 0.000
+ 43.500 28.000 0.000
+ 43.500 28.448 0.000
+ 43.500 28.896 0.000
+ 43.500 29.344 0.000
+ 43.500 29.792 0.000
+ 43.500 30.240 0.000
+ 43.500 30.688 0.000
+ 43.500 31.136 0.000
+ 43.500 31.584 0.000
+ 43.500 32.032 0.000
+ 43.500 32.480 0.000
+ 43.500 32.928 0.000
+ 43.500 33.376 0.000
+ 43.500 33.824 0.000
+ 43.500 34.272 0.000
+ 43.500 34.720 0.000
+ 43.500 35.168 0.000
+ 43.500 35.616 0.000
+ 43.500 36.064 0.000
+ 43.500 36.512 0.000
+ 43.500 36.960 0.000
+ 43.500 37.408 0.000
+ 43.500 37.856 0.000
+ 43.500 38.304 0.000
+ 43.500 38.752 0.000
+ 43.500 39.200 0.000
+ 43.500 39.648 0.000
+ 43.500 40.096 0.000
+ 43.500 40.544 0.000
+ 43.500 40.992 0.000
+ 43.500 41.440 0.000
+ 43.500 41.888 0.000
+ 43.500 42.336 0.000
+ 43.500 42.784 0.000
+ 43.500 43.232 0.000
+ 43.500 43.680 0.000
+ 43.500 44.128 0.000
+ 43.500 44.576 0.000
+ 46.500 0.224 0.000
+ 46.500 0.672 0.000
+ 46.500 1.120 0.000
+ 46.500 1.568 0.000
+ 46.500 2.016 0.000
+ 46.500 2.464 0.000
+ 46.500 2.912 0.000
+ 46.500 3.360 0.000
+ 46.500 3.808 0.000
+ 46.500 4.256 0.000
+ 46.500 4.704 0.000
+ 46.500 5.152 0.000
+ 46.500 5.600 0.000
+ 46.500 6.048 0.000
+ 46.500 6.496 0.000
+ 46.500 6.944 0.000
+ 46.500 7.392 0.000
+ 46.500 7.840 0.000
+ 46.500 8.288 0.000
+ 46.500 8.736 0.000
+ 46.500 9.184 0.000
+ 46.500 9.632 0.000
+ 46.500 10.080 0.000
+ 46.500 10.528 0.000
+ 46.500 10.976 0.000
+ 46.500 11.424 0.000
+ 46.500 11.872 0.000
+ 46.500 12.320 0.000
+ 46.500 12.768 0.000
+ 46.500 13.216 0.000
+ 46.500 13.664 0.000
+ 46.500 14.112 0.000
+ 46.500 14.560 0.000
+ 46.500 15.008 0.000
+ 46.500 15.456 0.000
+ 46.500 15.904 0.000
+ 46.500 16.352 0.000
+ 46.500 16.800 0.000
+ 46.500 17.248 0.000
+ 46.500 17.696 0.000
+ 46.500 18.144 0.000
+ 46.500 18.592 0.000
+ 46.500 19.040 0.000
+ 46.500 19.488 0.000
+ 46.500 19.936 0.000
+ 46.500 20.384 0.000
+ 46.500 20.832 0.000
+ 46.500 21.280 0.000
+ 46.500 21.728 0.000
+ 46.500 22.176 0.000
+ 46.500 22.624 0.000
+ 46.500 23.072 0.000
+ 46.500 23.520 0.000
+ 46.500 23.968 0.000
+ 46.500 24.416 0.000
+ 46.500 24.864 0.000
+ 46.500 25.312 0.000
+ 46.500 25.760 0.000
+ 46.500 26.208 0.000
+ 46.500 26.656 0.000
+ 46.500 27.104 0.000
+ 46.500 27.552 0.000
+ 46.500 28.000 0.000
+ 46.500 28.448 0.000
+ 46.500 28.896 0.000
+ 46.500 29.344 0.000
+ 46.500 29.792 0.000
+ 46.500 30.240 0.000
+ 46.500 30.688 0.000
+ 46.500 31.136 0.000
+ 46.500 31.584 0.000
+ 46.500 32.032 0.000
+ 46.500 32.480 0.000
+ 46.500 32.928 0.000
+ 46.500 33.376 0.000
+ 46.500 33.824 0.000
+ 46.500 34.272 0.000
+ 46.500 34.720 0.000
+ 46.500 35.168 0.000
+ 46.500 35.616 0.000
+ 46.500 36.064 0.000
+ 46.500 36.512 0.000
+ 46.500 36.960 0.000
+ 46.500 37.408 0.000
+ 46.500 37.856 0.000
+ 46.500 38.304 0.000
+ 46.500 38.752 0.000
+ 46.500 39.200 0.000
+ 46.500 39.648 0.000
+ 46.500 40.096 0.000
+ 46.500 40.544 0.000
+ 46.500 40.992 0.000
+ 46.500 41.440 0.000
+ 46.500 41.888 0.000
+ 46.500 42.336 0.000
+ 46.500 42.784 0.000
+ 46.500 43.232 0.000
+ 46.500 43.680 0.000
+ 46.500 44.128 0.000
+ 46.500 44.576 0.000
+ 49.500 0.224 0.000
+ 49.500 0.672 0.000
+ 49.500 1.120 0.000
+ 49.500 1.568 0.000
+ 49.500 2.016 0.000
+ 49.500 2.464 0.000
+ 49.500 2.912 0.000
+ 49.500 3.360 0.000
+ 49.500 3.808 0.000
+ 49.500 4.256 0.000
+ 49.500 4.704 0.000
+ 49.500 5.152 0.000
+ 49.500 5.600 0.000
+ 49.500 6.048 0.000
+ 49.500 6.496 0.000
+ 49.500 6.944 0.000
+ 49.500 7.392 0.000
+ 49.500 7.840 0.000
+ 49.500 8.288 0.000
+ 49.500 8.736 0.000
+ 49.500 9.184 0.000
+ 49.500 9.632 0.000
+ 49.500 10.080 0.000
+ 49.500 10.528 0.000
+ 49.500 10.976 0.000
+ 49.500 11.424 0.000
+ 49.500 11.872 0.000
+ 49.500 12.320 0.000
+ 49.500 12.768 0.000
+ 49.500 13.216 0.000
+ 49.500 13.664 0.000
+ 49.500 14.112 0.000
+ 49.500 14.560 0.000
+ 49.500 15.008 0.000
+ 49.500 15.456 0.000
+ 49.500 15.904 0.000
+ 49.500 16.352 0.000
+ 49.500 16.800 0.000
+ 49.500 17.248 0.000
+ 49.500 17.696 0.000
+ 49.500 18.144 0.000
+ 49.500 18.592 0.000
+ 49.500 19.040 0.000
+ 49.500 19.488 0.000
+ 49.500 19.936 0.000
+ 49.500 20.384 0.000
+ 49.500 20.832 0.000
+ 49.500 21.280 0.000
+ 49.500 21.728 0.000
+ 49.500 22.176 0.000
+ 49.500 22.624 0.000
+ 49.500 23.072 0.000
+ 49.500 23.520 0.000
+ 49.500 23.968 0.000
+ 49.500 24.416 0.000
+ 49.500 24.864 0.000
+ 49.500 25.312 0.000
+ 49.500 25.760 0.000
+ 49.500 26.208 0.000
+ 49.500 26.656 0.000
+ 49.500 27.104 0.000
+ 49.500 27.552 0.000
+ 49.500 28.000 0.000
+ 49.500 28.448 0.000
+ 49.500 28.896 0.000
+ 49.500 29.344 0.000
+ 49.500 29.792 0.000
+ 49.500 30.240 0.000
+ 49.500 30.688 0.000
+ 49.500 31.136 0.000
+ 49.500 31.584 0.000
+ 49.500 32.032 0.000
+ 49.500 32.480 0.000
+ 49.500 32.928 0.000
+ 49.500 33.376 0.000
+ 49.500 33.824 0.000
+ 49.500 34.272 0.000
+ 49.500 34.720 0.000
+ 49.500 35.168 0.000
+ 49.500 35.616 0.000
+ 49.500 36.064 0.000
+ 49.500 36.512 0.000
+ 49.500 36.960 0.000
+ 49.500 37.408 0.000
+ 49.500 37.856 0.000
+ 49.500 38.304 0.000
+ 49.500 38.752 0.000
+ 49.500 39.200 0.000
+ 49.500 39.648 0.000
+ 49.500 40.096 0.000
+ 49.500 40.544 0.000
+ 49.500 40.992 0.000
+ 49.500 41.440 0.000
+ 49.500 41.888 0.000
+ 49.500 42.336 0.000
+ 49.500 42.784 0.000
+ 49.500 43.232 0.000
+ 49.500 43.680 0.000
+ 49.500 44.128 0.000
+ 49.500 44.576 0.000
+ 52.500 0.224 0.000
+ 52.500 0.672 0.000
+ 52.500 1.120 0.000
+ 52.500 1.568 0.000
+ 52.500 2.016 0.000
+ 52.500 2.464 0.000
+ 52.500 2.912 0.000
+ 52.500 3.360 0.000
+ 52.500 3.808 0.000
+ 52.500 4.256 0.000
+ 52.500 4.704 0.000
+ 52.500 5.152 0.000
+ 52.500 5.600 0.000
+ 52.500 6.048 0.000
+ 52.500 6.496 0.000
+ 52.500 6.944 0.000
+ 52.500 7.392 0.000
+ 52.500 7.840 0.000
+ 52.500 8.288 0.000
+ 52.500 8.736 0.000
+ 52.500 9.184 0.000
+ 52.500 9.632 0.000
+ 52.500 10.080 0.000
+ 52.500 10.528 0.000
+ 52.500 10.976 0.000
+ 52.500 11.424 0.000
+ 52.500 11.872 0.000
+ 52.500 12.320 0.000
+ 52.500 12.768 0.000
+ 52.500 13.216 0.000
+ 52.500 13.664 0.000
+ 52.500 14.112 0.000
+ 52.500 14.560 0.000
+ 52.500 15.008 0.000
+ 52.500 15.456 0.000
+ 52.500 15.904 0.000
+ 52.500 16.352 0.000
+ 52.500 16.800 0.000
+ 52.500 17.248 0.000
+ 52.500 17.696 0.000
+ 52.500 18.144 0.000
+ 52.500 18.592 0.000
+ 52.500 19.040 0.000
+ 52.500 19.488 0.000
+ 52.500 19.936 0.000
+ 52.500 20.384 0.000
+ 52.500 20.832 0.000
+ 52.500 21.280 0.000
+ 52.500 21.728 0.000
+ 52.500 22.176 0.000
+ 52.500 22.624 0.000
+ 52.500 23.072 0.000
+ 52.500 23.520 0.000
+ 52.500 23.968 0.000
+ 52.500 24.416 0.000
+ 52.500 24.864 0.000
+ 52.500 25.312 0.000
+ 52.500 25.760 0.000
+ 52.500 26.208 0.000
+ 52.500 26.656 0.000
+ 52.500 27.104 0.000
+ 52.500 27.552 0.000
+ 52.500 28.000 0.000
+ 52.500 28.448 0.000
+ 52.500 28.896 0.000
+ 52.500 29.344 0.000
+ 52.500 29.792 0.000
+ 52.500 30.240 0.000
+ 52.500 30.688 0.000
+ 52.500 31.136 0.000
+ 52.500 31.584 0.000
+ 52.500 32.032 0.000
+ 52.500 32.480 0.000
+ 52.500 32.928 0.000
+ 52.500 33.376 0.000
+ 52.500 33.824 0.000
+ 52.500 34.272 0.000
+ 52.500 34.720 0.000
+ 52.500 35.168 0.000
+ 52.500 35.616 0.000
+ 52.500 36.064 0.000
+ 52.500 36.512 0.000
+ 52.500 36.960 0.000
+ 52.500 37.408 0.000
+ 52.500 37.856 0.000
+ 52.500 38.304 0.000
+ 52.500 38.752 0.000
+ 52.500 39.200 0.000
+ 52.500 39.648 0.000
+ 52.500 40.096 0.000
+ 52.500 40.544 0.000
+ 52.500 40.992 0.000
+ 52.500 41.440 0.000
+ 52.500 41.888 0.000
+ 52.500 42.336 0.000
+ 52.500 42.784 0.000
+ 52.500 43.232 0.000
+ 52.500 43.680 0.000
+ 52.500 44.128 0.000
+ 52.500 44.576 0.000
+ 55.500 0.224 0.000
+ 55.500 0.672 0.000
+ 55.500 1.120 0.000
+ 55.500 1.568 0.000
+ 55.500 2.016 0.000
+ 55.500 2.464 0.000
+ 55.500 2.912 0.000
+ 55.500 3.360 0.000
+ 55.500 3.808 0.000
+ 55.500 4.256 0.000
+ 55.500 4.704 0.000
+ 55.500 5.152 0.000
+ 55.500 5.600 0.000
+ 55.500 6.048 0.000
+ 55.500 6.496 0.000
+ 55.500 6.944 0.000
+ 55.500 7.392 0.000
+ 55.500 7.840 0.000
+ 55.500 8.288 0.000
+ 55.500 8.736 0.000
+ 55.500 9.184 0.000
+ 55.500 9.632 0.000
+ 55.500 10.080 0.000
+ 55.500 10.528 0.000
+ 55.500 10.976 0.000
+ 55.500 11.424 0.000
+ 55.500 11.872 0.000
+ 55.500 12.320 0.000
+ 55.500 12.768 0.000
+ 55.500 13.216 0.000
+ 55.500 13.664 0.000
+ 55.500 14.112 0.000
+ 55.500 14.560 0.000
+ 55.500 15.008 0.000
+ 55.500 15.456 0.000
+ 55.500 15.904 0.000
+ 55.500 16.352 0.000
+ 55.500 16.800 0.000
+ 55.500 17.248 0.000
+ 55.500 17.696 0.000
+ 55.500 18.144 0.000
+ 55.500 18.592 0.000
+ 55.500 19.040 0.000
+ 55.500 19.488 0.000
+ 55.500 19.936 0.000
+ 55.500 20.384 0.000
+ 55.500 20.832 0.000
+ 55.500 21.280 0.000
+ 55.500 21.728 0.000
+ 55.500 22.176 0.000
+ 55.500 22.624 0.000
+ 55.500 23.072 0.000
+ 55.500 23.520 0.000
+ 55.500 23.968 0.000
+ 55.500 24.416 0.000
+ 55.500 24.864 0.000
+ 55.500 25.312 0.000
+ 55.500 25.760 0.000
+ 55.500 26.208 0.000
+ 55.500 26.656 0.000
+ 55.500 27.104 0.000
+ 55.500 27.552 0.000
+ 55.500 28.000 0.000
+ 55.500 28.448 0.000
+ 55.500 28.896 0.000
+ 55.500 29.344 0.000
+ 55.500 29.792 0.000
+ 55.500 30.240 0.000
+ 55.500 30.688 0.000
+ 55.500 31.136 0.000
+ 55.500 31.584 0.000
+ 55.500 32.032 0.000
+ 55.500 32.480 0.000
+ 55.500 32.928 0.000
+ 55.500 33.376 0.000
+ 55.500 33.824 0.000
+ 55.500 34.272 0.000
+ 55.500 34.720 0.000
+ 55.500 35.168 0.000
+ 55.500 35.616 0.000
+ 55.500 36.064 0.000
+ 55.500 36.512 0.000
+ 55.500 36.960 0.000
+ 55.500 37.408 0.000
+ 55.500 37.856 0.000
+ 55.500 38.304 0.000
+ 55.500 38.752 0.000
+ 55.500 39.200 0.000
+ 55.500 39.648 0.000
+ 55.500 40.096 0.000
+ 55.500 40.544 0.000
+ 55.500 40.992 0.000
+ 55.500 41.440 0.000
+ 55.500 41.888 0.000
+ 55.500 42.336 0.000
+ 55.500 42.784 0.000
+ 55.500 43.232 0.000
+ 55.500 43.680 0.000
+ 55.500 44.128 0.000
+ 55.500 44.576 0.000
+ 58.500 0.224 0.000
+ 58.500 0.672 0.000
+ 58.500 1.120 0.000
+ 58.500 1.568 0.000
+ 58.500 2.016 0.000
+ 58.500 2.464 0.000
+ 58.500 2.912 0.000
+ 58.500 3.360 0.000
+ 58.500 3.808 0.000
+ 58.500 4.256 0.000
+ 58.500 4.704 0.000
+ 58.500 5.152 0.000
+ 58.500 5.600 0.000
+ 58.500 6.048 0.000
+ 58.500 6.496 0.000
+ 58.500 6.944 0.000
+ 58.500 7.392 0.000
+ 58.500 7.840 0.000
+ 58.500 8.288 0.000
+ 58.500 8.736 0.000
+ 58.500 9.184 0.000
+ 58.500 9.632 0.000
+ 58.500 10.080 0.000
+ 58.500 10.528 0.000
+ 58.500 10.976 0.000
+ 58.500 11.424 0.000
+ 58.500 11.872 0.000
+ 58.500 12.320 0.000
+ 58.500 12.768 0.000
+ 58.500 13.216 0.000
+ 58.500 13.664 0.000
+ 58.500 14.112 0.000
+ 58.500 14.560 0.000
+ 58.500 15.008 0.000
+ 58.500 15.456 0.000
+ 58.500 15.904 0.000
+ 58.500 16.352 0.000
+ 58.500 16.800 0.000
+ 58.500 17.248 0.000
+ 58.500 17.696 0.000
+ 58.500 18.144 0.000
+ 58.500 18.592 0.000
+ 58.500 19.040 0.000
+ 58.500 19.488 0.000
+ 58.500 19.936 0.000
+ 58.500 20.384 0.000
+ 58.500 20.832 0.000
+ 58.500 21.280 0.000
+ 58.500 21.728 0.000
+ 58.500 22.176 0.000
+ 58.500 22.624 0.000
+ 58.500 23.072 0.000
+ 58.500 23.520 0.000
+ 58.500 23.968 0.000
+ 58.500 24.416 0.000
+ 58.500 24.864 0.000
+ 58.500 25.312 0.000
+ 58.500 25.760 0.000
+ 58.500 26.208 0.000
+ 58.500 26.656 0.000
+ 58.500 27.104 0.000
+ 58.500 27.552 0.000
+ 58.500 28.000 0.000
+ 58.500 28.448 0.000
+ 58.500 28.896 0.000
+ 58.500 29.344 0.000
+ 58.500 29.792 0.000
+ 58.500 30.240 0.000
+ 58.500 30.688 0.000
+ 58.500 31.136 0.000
+ 58.500 31.584 0.000
+ 58.500 32.032 0.000
+ 58.500 32.480 0.000
+ 58.500 32.928 0.000
+ 58.500 33.376 0.000
+ 58.500 33.824 0.000
+ 58.500 34.272 0.000
+ 58.500 34.720 0.000
+ 58.500 35.168 0.000
+ 58.500 35.616 0.000
+ 58.500 36.064 0.000
+ 58.500 36.512 0.000
+ 58.500 36.960 0.000
+ 58.500 37.408 0.000
+ 58.500 37.856 0.000
+ 58.500 38.304 0.000
+ 58.500 38.752 0.000
+ 58.500 39.200 0.000
+ 58.500 39.648 0.000
+ 58.500 40.096 0.000
+ 58.500 40.544 0.000
+ 58.500 40.992 0.000
+ 58.500 41.440 0.000
+ 58.500 41.888 0.000
+ 58.500 42.336 0.000
+ 58.500 42.784 0.000
+ 58.500 43.232 0.000
+ 58.500 43.680 0.000
+ 58.500 44.128 0.000
+ 58.500 44.576 0.000
+ 61.500 0.224 0.000
+ 61.500 0.672 0.000
+ 61.500 1.120 0.000
+ 61.500 1.568 0.000
+ 61.500 2.016 0.000
+ 61.500 2.464 0.000
+ 61.500 2.912 0.000
+ 61.500 3.360 0.000
+ 61.500 3.808 0.000
+ 61.500 4.256 0.000
+ 61.500 4.704 0.000
+ 61.500 5.152 0.000
+ 61.500 5.600 0.000
+ 61.500 6.048 0.000
+ 61.500 6.496 0.000
+ 61.500 6.944 0.000
+ 61.500 7.392 0.000
+ 61.500 7.840 0.000
+ 61.500 8.288 0.000
+ 61.500 8.736 0.000
+ 61.500 9.184 0.000
+ 61.500 9.632 0.000
+ 61.500 10.080 0.000
+ 61.500 10.528 0.000
+ 61.500 10.976 0.000
+ 61.500 11.424 0.000
+ 61.500 11.872 0.000
+ 61.500 12.320 0.000
+ 61.500 12.768 0.000
+ 61.500 13.216 0.000
+ 61.500 13.664 0.000
+ 61.500 14.112 0.000
+ 61.500 14.560 0.000
+ 61.500 15.008 0.000
+ 61.500 15.456 0.000
+ 61.500 15.904 0.000
+ 61.500 16.352 0.000
+ 61.500 16.800 0.000
+ 61.500 17.248 0.000
+ 61.500 17.696 0.000
+ 61.500 18.144 0.000
+ 61.500 18.592 0.000
+ 61.500 19.040 0.000
+ 61.500 19.488 0.000
+ 61.500 19.936 0.000
+ 61.500 20.384 0.000
+ 61.500 20.832 0.000
+ 61.500 21.280 0.000
+ 61.500 21.728 0.000
+ 61.500 22.176 0.000
+ 61.500 22.624 0.000
+ 61.500 23.072 0.000
+ 61.500 23.520 0.000
+ 61.500 23.968 0.000
+ 61.500 24.416 0.000
+ 61.500 24.864 0.000
+ 61.500 25.312 0.000
+ 61.500 25.760 0.000
+ 61.500 26.208 0.000
+ 61.500 26.656 0.000
+ 61.500 27.104 0.000
+ 61.500 27.552 0.000
+ 61.500 28.000 0.000
+ 61.500 28.448 0.000
+ 61.500 28.896 0.000
+ 61.500 29.344 0.000
+ 61.500 29.792 0.000
+ 61.500 30.240 0.000
+ 61.500 30.688 0.000
+ 61.500 31.136 0.000
+ 61.500 31.584 0.000
+ 61.500 32.032 0.000
+ 61.500 32.480 0.000
+ 61.500 32.928 0.000
+ 61.500 33.376 0.000
+ 61.500 33.824 0.000
+ 61.500 34.272 0.000
+ 61.500 34.720 0.000
+ 61.500 35.168 0.000
+ 61.500 35.616 0.000
+ 61.500 36.064 0.000
+ 61.500 36.512 0.000
+ 61.500 36.960 0.000
+ 61.500 37.408 0.000
+ 61.500 37.856 0.000
+ 61.500 38.304 0.000
+ 61.500 38.752 0.000
+ 61.500 39.200 0.000
+ 61.500 39.648 0.000
+ 61.500 40.096 0.000
+ 61.500 40.544 0.000
+ 61.500 40.992 0.000
+ 61.500 41.440 0.000
+ 61.500 41.888 0.000
+ 61.500 42.336 0.000
+ 61.500 42.784 0.000
+ 61.500 43.232 0.000
+ 61.500 43.680 0.000
+ 61.500 44.128 0.000
+ 61.500 44.576 0.000
+ 64.500 0.224 0.000
+ 64.500 0.672 0.000
+ 64.500 1.120 0.000
+ 64.500 1.568 0.000
+ 64.500 2.016 0.000
+ 64.500 2.464 0.000
+ 64.500 2.912 0.000
+ 64.500 3.360 0.000
+ 64.500 3.808 0.000
+ 64.500 4.256 0.000
+ 64.500 4.704 0.000
+ 64.500 5.152 0.000
+ 64.500 5.600 0.000
+ 64.500 6.048 0.000
+ 64.500 6.496 0.000
+ 64.500 6.944 0.000
+ 64.500 7.392 0.000
+ 64.500 7.840 0.000
+ 64.500 8.288 0.000
+ 64.500 8.736 0.000
+ 64.500 9.184 0.000
+ 64.500 9.632 0.000
+ 64.500 10.080 0.000
+ 64.500 10.528 0.000
+ 64.500 10.976 0.000
+ 64.500 11.424 0.000
+ 64.500 11.872 0.000
+ 64.500 12.320 0.000
+ 64.500 12.768 0.000
+ 64.500 13.216 0.000
+ 64.500 13.664 0.000
+ 64.500 14.112 0.000
+ 64.500 14.560 0.000
+ 64.500 15.008 0.000
+ 64.500 15.456 0.000
+ 64.500 15.904 0.000
+ 64.500 16.352 0.000
+ 64.500 16.800 0.000
+ 64.500 17.248 0.000
+ 64.500 17.696 0.000
+ 64.500 18.144 0.000
+ 64.500 18.592 0.000
+ 64.500 19.040 0.000
+ 64.500 19.488 0.000
+ 64.500 19.936 0.000
+ 64.500 20.384 0.000
+ 64.500 20.832 0.000
+ 64.500 21.280 0.000
+ 64.500 21.728 0.000
+ 64.500 22.176 0.000
+ 64.500 22.624 0.000
+ 64.500 23.072 0.000
+ 64.500 23.520 0.000
+ 64.500 23.968 0.000
+ 64.500 24.416 0.000
+ 64.500 24.864 0.000
+ 64.500 25.312 0.000
+ 64.500 25.760 0.000
+ 64.500 26.208 0.000
+ 64.500 26.656 0.000
+ 64.500 27.104 0.000
+ 64.500 27.552 0.000
+ 64.500 28.000 0.000
+ 64.500 28.448 0.000
+ 64.500 28.896 0.000
+ 64.500 29.344 0.000
+ 64.500 29.792 0.000
+ 64.500 30.240 0.000
+ 64.500 30.688 0.000
+ 64.500 31.136 0.000
+ 64.500 31.584 0.000
+ 64.500 32.032 0.000
+ 64.500 32.480 0.000
+ 64.500 32.928 0.000
+ 64.500 33.376 0.000
+ 64.500 33.824 0.000
+ 64.500 34.272 0.000
+ 64.500 34.720 0.000
+ 64.500 35.168 0.000
+ 64.500 35.616 0.000
+ 64.500 36.064 0.000
+ 64.500 36.512 0.000
+ 64.500 36.960 0.000
+ 64.500 37.408 0.000
+ 64.500 37.856 0.000
+ 64.500 38.304 0.000
+ 64.500 38.752 0.000
+ 64.500 39.200 0.000
+ 64.500 39.648 0.000
+ 64.500 40.096 0.000
+ 64.500 40.544 0.000
+ 64.500 40.992 0.000
+ 64.500 41.440 0.000
+ 64.500 41.888 0.000
+ 64.500 42.336 0.000
+ 64.500 42.784 0.000
+ 64.500 43.232 0.000
+ 64.500 43.680 0.000
+ 64.500 44.128 0.000
+ 64.500 44.576 0.000
+ 67.500 0.224 0.000
+ 67.500 0.672 0.000
+ 67.500 1.120 0.000
+ 67.500 1.568 0.000
+ 67.500 2.016 0.000
+ 67.500 2.464 0.000
+ 67.500 2.912 0.000
+ 67.500 3.360 0.000
+ 67.500 3.808 0.000
+ 67.500 4.256 0.000
+ 67.500 4.704 0.000
+ 67.500 5.152 0.000
+ 67.500 5.600 0.000
+ 67.500 6.048 0.000
+ 67.500 6.496 0.000
+ 67.500 6.944 0.000
+ 67.500 7.392 0.000
+ 67.500 7.840 0.000
+ 67.500 8.288 0.000
+ 67.500 8.736 0.000
+ 67.500 9.184 0.000
+ 67.500 9.632 0.000
+ 67.500 10.080 0.000
+ 67.500 10.528 0.000
+ 67.500 10.976 0.000
+ 67.500 11.424 0.000
+ 67.500 11.872 0.000
+ 67.500 12.320 0.000
+ 67.500 12.768 0.000
+ 67.500 13.216 0.000
+ 67.500 13.664 0.000
+ 67.500 14.112 0.000
+ 67.500 14.560 0.000
+ 67.500 15.008 0.000
+ 67.500 15.456 0.000
+ 67.500 15.904 0.000
+ 67.500 16.352 0.000
+ 67.500 16.800 0.000
+ 67.500 17.248 0.000
+ 67.500 17.696 0.000
+ 67.500 18.144 0.000
+ 67.500 18.592 0.000
+ 67.500 19.040 0.000
+ 67.500 19.488 0.000
+ 67.500 19.936 0.000
+ 67.500 20.384 0.000
+ 67.500 20.832 0.000
+ 67.500 21.280 0.000
+ 67.500 21.728 0.000
+ 67.500 22.176 0.000
+ 67.500 22.624 0.000
+ 67.500 23.072 0.000
+ 67.500 23.520 0.000
+ 67.500 23.968 0.000
+ 67.500 24.416 0.000
+ 67.500 24.864 0.000
+ 67.500 25.312 0.000
+ 67.500 25.760 0.000
+ 67.500 26.208 0.000
+ 67.500 26.656 0.000
+ 67.500 27.104 0.000
+ 67.500 27.552 0.000
+ 67.500 28.000 0.000
+ 67.500 28.448 0.000
+ 67.500 28.896 0.000
+ 67.500 29.344 0.000
+ 67.500 29.792 0.000
+ 67.500 30.240 0.000
+ 67.500 30.688 0.000
+ 67.500 31.136 0.000
+ 67.500 31.584 0.000
+ 67.500 32.032 0.000
+ 67.500 32.480 0.000
+ 67.500 32.928 0.000
+ 67.500 33.376 0.000
+ 67.500 33.824 0.000
+ 67.500 34.272 0.000
+ 67.500 34.720 0.000
+ 67.500 35.168 0.000
+ 67.500 35.616 0.000
+ 67.500 36.064 0.000
+ 67.500 36.512 0.000
+ 67.500 36.960 0.000
+ 67.500 37.408 0.000
+ 67.500 37.856 0.000
+ 67.500 38.304 0.000
+ 67.500 38.752 0.000
+ 67.500 39.200 0.000
+ 67.500 39.648 0.000
+ 67.500 40.096 0.000
+ 67.500 40.544 0.000
+ 67.500 40.992 0.000
+ 67.500 41.440 0.000
+ 67.500 41.888 0.000
+ 67.500 42.336 0.000
+ 67.500 42.784 0.000
+ 67.500 43.232 0.000
+ 67.500 43.680 0.000
+ 67.500 44.128 0.000
+ 67.500 44.576 0.000
+ 70.500 0.224 0.000
+ 70.500 0.672 0.000
+ 70.500 1.120 0.000
+ 70.500 1.568 0.000
+ 70.500 2.016 0.000
+ 70.500 2.464 0.000
+ 70.500 2.912 0.000
+ 70.500 3.360 0.000
+ 70.500 3.808 0.000
+ 70.500 4.256 0.000
+ 70.500 4.704 0.000
+ 70.500 5.152 0.000
+ 70.500 5.600 0.000
+ 70.500 6.048 0.000
+ 70.500 6.496 0.000
+ 70.500 6.944 0.000
+ 70.500 7.392 0.000
+ 70.500 7.840 0.000
+ 70.500 8.288 0.000
+ 70.500 8.736 0.000
+ 70.500 9.184 0.000
+ 70.500 9.632 0.000
+ 70.500 10.080 0.000
+ 70.500 10.528 0.000
+ 70.500 10.976 0.000
+ 70.500 11.424 0.000
+ 70.500 11.872 0.000
+ 70.500 12.320 0.000
+ 70.500 12.768 0.000
+ 70.500 13.216 0.000
+ 70.500 13.664 0.000
+ 70.500 14.112 0.000
+ 70.500 14.560 0.000
+ 70.500 15.008 0.000
+ 70.500 15.456 0.000
+ 70.500 15.904 0.000
+ 70.500 16.352 0.000
+ 70.500 16.800 0.000
+ 70.500 17.248 0.000
+ 70.500 17.696 0.000
+ 70.500 18.144 0.000
+ 70.500 18.592 0.000
+ 70.500 19.040 0.000
+ 70.500 19.488 0.000
+ 70.500 19.936 0.000
+ 70.500 20.384 0.000
+ 70.500 20.832 0.000
+ 70.500 21.280 0.000
+ 70.500 21.728 0.000
+ 70.500 22.176 0.000
+ 70.500 22.624 0.000
+ 70.500 23.072 0.000
+ 70.500 23.520 0.000
+ 70.500 23.968 0.000
+ 70.500 24.416 0.000
+ 70.500 24.864 0.000
+ 70.500 25.312 0.000
+ 70.500 25.760 0.000
+ 70.500 26.208 0.000
+ 70.500 26.656 0.000
+ 70.500 27.104 0.000
+ 70.500 27.552 0.000
+ 70.500 28.000 0.000
+ 70.500 28.448 0.000
+ 70.500 28.896 0.000
+ 70.500 29.344 0.000
+ 70.500 29.792 0.000
+ 70.500 30.240 0.000
+ 70.500 30.688 0.000
+ 70.500 31.136 0.000
+ 70.500 31.584 0.000
+ 70.500 32.032 0.000
+ 70.500 32.480 0.000
+ 70.500 32.928 0.000
+ 70.500 33.376 0.000
+ 70.500 33.824 0.000
+ 70.500 34.272 0.000
+ 70.500 34.720 0.000
+ 70.500 35.168 0.000
+ 70.500 35.616 0.000
+ 70.500 36.064 0.000
+ 70.500 36.512 0.000
+ 70.500 36.960 0.000
+ 70.500 37.408 0.000
+ 70.500 37.856 0.000
+ 70.500 38.304 0.000
+ 70.500 38.752 0.000
+ 70.500 39.200 0.000
+ 70.500 39.648 0.000
+ 70.500 40.096 0.000
+ 70.500 40.544 0.000
+ 70.500 40.992 0.000
+ 70.500 41.440 0.000
+ 70.500 41.888 0.000
+ 70.500 42.336 0.000
+ 70.500 42.784 0.000
+ 70.500 43.232 0.000
+ 70.500 43.680 0.000
+ 70.500 44.128 0.000
+ 70.500 44.576 0.000
+ 73.500 0.224 0.000
+ 73.500 0.672 0.000
+ 73.500 1.120 0.000
+ 73.500 1.568 0.000
+ 73.500 2.016 0.000
+ 73.500 2.464 0.000
+ 73.500 2.912 0.000
+ 73.500 3.360 0.000
+ 73.500 3.808 0.000
+ 73.500 4.256 0.000
+ 73.500 4.704 0.000
+ 73.500 5.152 0.000
+ 73.500 5.600 0.000
+ 73.500 6.048 0.000
+ 73.500 6.496 0.000
+ 73.500 6.944 0.000
+ 73.500 7.392 0.000
+ 73.500 7.840 0.000
+ 73.500 8.288 0.000
+ 73.500 8.736 0.000
+ 73.500 9.184 0.000
+ 73.500 9.632 0.000
+ 73.500 10.080 0.000
+ 73.500 10.528 0.000
+ 73.500 10.976 0.000
+ 73.500 11.424 0.000
+ 73.500 11.872 0.000
+ 73.500 12.320 0.000
+ 73.500 12.768 0.000
+ 73.500 13.216 0.000
+ 73.500 13.664 0.000
+ 73.500 14.112 0.000
+ 73.500 14.560 0.000
+ 73.500 15.008 0.000
+ 73.500 15.456 0.000
+ 73.500 15.904 0.000
+ 73.500 16.352 0.000
+ 73.500 16.800 0.000
+ 73.500 17.248 0.000
+ 73.500 17.696 0.000
+ 73.500 18.144 0.000
+ 73.500 18.592 0.000
+ 73.500 19.040 0.000
+ 73.500 19.488 0.000
+ 73.500 19.936 0.000
+ 73.500 20.384 0.000
+ 73.500 20.832 0.000
+ 73.500 21.280 0.000
+ 73.500 21.728 0.000
+ 73.500 22.176 0.000
+ 73.500 22.624 0.000
+ 73.500 23.072 0.000
+ 73.500 23.520 0.000
+ 73.500 23.968 0.000
+ 73.500 24.416 0.000
+ 73.500 24.864 0.000
+ 73.500 25.312 0.000
+ 73.500 25.760 0.000
+ 73.500 26.208 0.000
+ 73.500 26.656 0.000
+ 73.500 27.104 0.000
+ 73.500 27.552 0.000
+ 73.500 28.000 0.000
+ 73.500 28.448 0.000
+ 73.500 28.896 0.000
+ 73.500 29.344 0.000
+ 73.500 29.792 0.000
+ 73.500 30.240 0.000
+ 73.500 30.688 0.000
+ 73.500 31.136 0.000
+ 73.500 31.584 0.000
+ 73.500 32.032 0.000
+ 73.500 32.480 0.000
+ 73.500 32.928 0.000
+ 73.500 33.376 0.000
+ 73.500 33.824 0.000
+ 73.500 34.272 0.000
+ 73.500 34.720 0.000
+ 73.500 35.168 0.000
+ 73.500 35.616 0.000
+ 73.500 36.064 0.000
+ 73.500 36.512 0.000
+ 73.500 36.960 0.000
+ 73.500 37.408 0.000
+ 73.500 37.856 0.000
+ 73.500 38.304 0.000
+ 73.500 38.752 0.000
+ 73.500 39.200 0.000
+ 73.500 39.648 0.000
+ 73.500 40.096 0.000
+ 73.500 40.544 0.000
+ 73.500 40.992 0.000
+ 73.500 41.440 0.000
+ 73.500 41.888 0.000
+ 73.500 42.336 0.000
+ 73.500 42.784 0.000
+ 73.500 43.232 0.000
+ 73.500 43.680 0.000
+ 73.500 44.128 0.000
+ 73.500 44.576 0.000
+ 76.500 0.224 0.000
+ 76.500 0.672 0.000
+ 76.500 1.120 0.000
+ 76.500 1.568 0.000
+ 76.500 2.016 0.000
+ 76.500 2.464 0.000
+ 76.500 2.912 0.000
+ 76.500 3.360 0.000
+ 76.500 3.808 0.000
+ 76.500 4.256 0.000
+ 76.500 4.704 0.000
+ 76.500 5.152 0.000
+ 76.500 5.600 0.000
+ 76.500 6.048 0.000
+ 76.500 6.496 0.000
+ 76.500 6.944 0.000
+ 76.500 7.392 0.000
+ 76.500 7.840 0.000
+ 76.500 8.288 0.000
+ 76.500 8.736 0.000
+ 76.500 9.184 0.000
+ 76.500 9.632 0.000
+ 76.500 10.080 0.000
+ 76.500 10.528 0.000
+ 76.500 10.976 0.000
+ 76.500 11.424 0.000
+ 76.500 11.872 0.000
+ 76.500 12.320 0.000
+ 76.500 12.768 0.000
+ 76.500 13.216 0.000
+ 76.500 13.664 0.000
+ 76.500 14.112 0.000
+ 76.500 14.560 0.000
+ 76.500 15.008 0.000
+ 76.500 15.456 0.000
+ 76.500 15.904 0.000
+ 76.500 16.352 0.000
+ 76.500 16.800 0.000
+ 76.500 17.248 0.000
+ 76.500 17.696 0.000
+ 76.500 18.144 0.000
+ 76.500 18.592 0.000
+ 76.500 19.040 0.000
+ 76.500 19.488 0.000
+ 76.500 19.936 0.000
+ 76.500 20.384 0.000
+ 76.500 20.832 0.000
+ 76.500 21.280 0.000
+ 76.500 21.728 0.000
+ 76.500 22.176 0.000
+ 76.500 22.624 0.000
+ 76.500 23.072 0.000
+ 76.500 23.520 0.000
+ 76.500 23.968 0.000
+ 76.500 24.416 0.000
+ 76.500 24.864 0.000
+ 76.500 25.312 0.000
+ 76.500 25.760 0.000
+ 76.500 26.208 0.000
+ 76.500 26.656 0.000
+ 76.500 27.104 0.000
+ 76.500 27.552 0.000
+ 76.500 28.000 0.000
+ 76.500 28.448 0.000
+ 76.500 28.896 0.000
+ 76.500 29.344 0.000
+ 76.500 29.792 0.000
+ 76.500 30.240 0.000
+ 76.500 30.688 0.000
+ 76.500 31.136 0.000
+ 76.500 31.584 0.000
+ 76.500 32.032 0.000
+ 76.500 32.480 0.000
+ 76.500 32.928 0.000
+ 76.500 33.376 0.000
+ 76.500 33.824 0.000
+ 76.500 34.272 0.000
+ 76.500 34.720 0.000
+ 76.500 35.168 0.000
+ 76.500 35.616 0.000
+ 76.500 36.064 0.000
+ 76.500 36.512 0.000
+ 76.500 36.960 0.000
+ 76.500 37.408 0.000
+ 76.500 37.856 0.000
+ 76.500 38.304 0.000
+ 76.500 38.752 0.000
+ 76.500 39.200 0.000
+ 76.500 39.648 0.000
+ 76.500 40.096 0.000
+ 76.500 40.544 0.000
+ 76.500 40.992 0.000
+ 76.500 41.440 0.000
+ 76.500 41.888 0.000
+ 76.500 42.336 0.000
+ 76.500 42.784 0.000
+ 76.500 43.232 0.000
+ 76.500 43.680 0.000
+ 76.500 44.128 0.000
+ 76.500 44.576 0.000
+ 79.500 0.224 0.000
+ 79.500 0.672 0.000
+ 79.500 1.120 0.000
+ 79.500 1.568 0.000
+ 79.500 2.016 0.000
+ 79.500 2.464 0.000
+ 79.500 2.912 0.000
+ 79.500 3.360 0.000
+ 79.500 3.808 0.000
+ 79.500 4.256 0.000
+ 79.500 4.704 0.000
+ 79.500 5.152 0.000
+ 79.500 5.600 0.000
+ 79.500 6.048 0.000
+ 79.500 6.496 0.000
+ 79.500 6.944 0.000
+ 79.500 7.392 0.000
+ 79.500 7.840 0.000
+ 79.500 8.288 0.000
+ 79.500 8.736 0.000
+ 79.500 9.184 0.000
+ 79.500 9.632 0.000
+ 79.500 10.080 0.000
+ 79.500 10.528 0.000
+ 79.500 10.976 0.000
+ 79.500 11.424 0.000
+ 79.500 11.872 0.000
+ 79.500 12.320 0.000
+ 79.500 12.768 0.000
+ 79.500 13.216 0.000
+ 79.500 13.664 0.000
+ 79.500 14.112 0.000
+ 79.500 14.560 0.000
+ 79.500 15.008 0.000
+ 79.500 15.456 0.000
+ 79.500 15.904 0.000
+ 79.500 16.352 0.000
+ 79.500 16.800 0.000
+ 79.500 17.248 0.000
+ 79.500 17.696 0.000
+ 79.500 18.144 0.000
+ 79.500 18.592 0.000
+ 79.500 19.040 0.000
+ 79.500 19.488 0.000
+ 79.500 19.936 0.000
+ 79.500 20.384 0.000
+ 79.500 20.832 0.000
+ 79.500 21.280 0.000
+ 79.500 21.728 0.000
+ 79.500 22.176 0.000
+ 79.500 22.624 0.000
+ 79.500 23.072 0.000
+ 79.500 23.520 0.000
+ 79.500 23.968 0.000
+ 79.500 24.416 0.000
+ 79.500 24.864 0.000
+ 79.500 25.312 0.000
+ 79.500 25.760 0.000
+ 79.500 26.208 0.000
+ 79.500 26.656 0.000
+ 79.500 27.104 0.000
+ 79.500 27.552 0.000
+ 79.500 28.000 0.000
+ 79.500 28.448 0.000
+ 79.500 28.896 0.000
+ 79.500 29.344 0.000
+ 79.500 29.792 0.000
+ 79.500 30.240 0.000
+ 79.500 30.688 0.000
+ 79.500 31.136 0.000
+ 79.500 31.584 0.000
+ 79.500 32.032 0.000
+ 79.500 32.480 0.000
+ 79.500 32.928 0.000
+ 79.500 33.376 0.000
+ 79.500 33.824 0.000
+ 79.500 34.272 0.000
+ 79.500 34.720 0.000
+ 79.500 35.168 0.000
+ 79.500 35.616 0.000
+ 79.500 36.064 0.000
+ 79.500 36.512 0.000
+ 79.500 36.960 0.000
+ 79.500 37.408 0.000
+ 79.500 37.856 0.000
+ 79.500 38.304 0.000
+ 79.500 38.752 0.000
+ 79.500 39.200 0.000
+ 79.500 39.648 0.000
+ 79.500 40.096 0.000
+ 79.500 40.544 0.000
+ 79.500 40.992 0.000
+ 79.500 41.440 0.000
+ 79.500 41.888 0.000
+ 79.500 42.336 0.000
+ 79.500 42.784 0.000
+ 79.500 43.232 0.000
+ 79.500 43.680 0.000
+ 79.500 44.128 0.000
+ 79.500 44.576 0.000
+ 82.500 0.224 0.000
+ 82.500 0.672 0.000
+ 82.500 1.120 0.000
+ 82.500 1.568 0.000
+ 82.500 2.016 0.000
+ 82.500 2.464 0.000
+ 82.500 2.912 0.000
+ 82.500 3.360 0.000
+ 82.500 3.808 0.000
+ 82.500 4.256 0.000
+ 82.500 4.704 0.000
+ 82.500 5.152 0.000
+ 82.500 5.600 0.000
+ 82.500 6.048 0.000
+ 82.500 6.496 0.000
+ 82.500 6.944 0.000
+ 82.500 7.392 0.000
+ 82.500 7.840 0.000
+ 82.500 8.288 0.000
+ 82.500 8.736 0.000
+ 82.500 9.184 0.000
+ 82.500 9.632 0.000
+ 82.500 10.080 0.000
+ 82.500 10.528 0.000
+ 82.500 10.976 0.000
+ 82.500 11.424 0.000
+ 82.500 11.872 0.000
+ 82.500 12.320 0.000
+ 82.500 12.768 0.000
+ 82.500 13.216 0.000
+ 82.500 13.664 0.000
+ 82.500 14.112 0.000
+ 82.500 14.560 0.000
+ 82.500 15.008 0.000
+ 82.500 15.456 0.000
+ 82.500 15.904 0.000
+ 82.500 16.352 0.000
+ 82.500 16.800 0.000
+ 82.500 17.248 0.000
+ 82.500 17.696 0.000
+ 82.500 18.144 0.000
+ 82.500 18.592 0.000
+ 82.500 19.040 0.000
+ 82.500 19.488 0.000
+ 82.500 19.936 0.000
+ 82.500 20.384 0.000
+ 82.500 20.832 0.000
+ 82.500 21.280 0.000
+ 82.500 21.728 0.000
+ 82.500 22.176 0.000
+ 82.500 22.624 0.000
+ 82.500 23.072 0.000
+ 82.500 23.520 0.000
+ 82.500 23.968 0.000
+ 82.500 24.416 0.000
+ 82.500 24.864 0.000
+ 82.500 25.312 0.000
+ 82.500 25.760 0.000
+ 82.500 26.208 0.000
+ 82.500 26.656 0.000
+ 82.500 27.104 0.000
+ 82.500 27.552 0.000
+ 82.500 28.000 0.000
+ 82.500 28.448 0.000
+ 82.500 28.896 0.000
+ 82.500 29.344 0.000
+ 82.500 29.792 0.000
+ 82.500 30.240 0.000
+ 82.500 30.688 0.000
+ 82.500 31.136 0.000
+ 82.500 31.584 0.000
+ 82.500 32.032 0.000
+ 82.500 32.480 0.000
+ 82.500 32.928 0.000
+ 82.500 33.376 0.000
+ 82.500 33.824 0.000
+ 82.500 34.272 0.000
+ 82.500 34.720 0.000
+ 82.500 35.168 0.000
+ 82.500 35.616 0.000
+ 82.500 36.064 0.000
+ 82.500 36.512 0.000
+ 82.500 36.960 0.000
+ 82.500 37.408 0.000
+ 82.500 37.856 0.000
+ 82.500 38.304 0.000
+ 82.500 38.752 0.000
+ 82.500 39.200 0.000
+ 82.500 39.648 0.000
+ 82.500 40.096 0.000
+ 82.500 40.544 0.000
+ 82.500 40.992 0.000
+ 82.500 41.440 0.000
+ 82.500 41.888 0.000
+ 82.500 42.336 0.000
+ 82.500 42.784 0.000
+ 82.500 43.232 0.000
+ 82.500 43.680 0.000
+ 82.500 44.128 0.000
+ 82.500 44.576 0.000
+ 85.500 0.224 0.000
+ 85.500 0.672 0.000
+ 85.500 1.120 0.000
+ 85.500 1.568 0.000
+ 85.500 2.016 0.000
+ 85.500 2.464 0.000
+ 85.500 2.912 0.000
+ 85.500 3.360 0.000
+ 85.500 3.808 0.000
+ 85.500 4.256 0.000
+ 85.500 4.704 0.000
+ 85.500 5.152 0.000
+ 85.500 5.600 0.000
+ 85.500 6.048 0.000
+ 85.500 6.496 0.000
+ 85.500 6.944 0.000
+ 85.500 7.392 0.000
+ 85.500 7.840 0.000
+ 85.500 8.288 0.000
+ 85.500 8.736 0.000
+ 85.500 9.184 0.000
+ 85.500 9.632 0.000
+ 85.500 10.080 0.000
+ 85.500 10.528 0.000
+ 85.500 10.976 0.000
+ 85.500 11.424 0.000
+ 85.500 11.872 0.000
+ 85.500 12.320 0.000
+ 85.500 12.768 0.000
+ 85.500 13.216 0.000
+ 85.500 13.664 0.000
+ 85.500 14.112 0.000
+ 85.500 14.560 0.000
+ 85.500 15.008 0.000
+ 85.500 15.456 0.000
+ 85.500 15.904 0.000
+ 85.500 16.352 0.000
+ 85.500 16.800 0.000
+ 85.500 17.248 0.000
+ 85.500 17.696 0.000
+ 85.500 18.144 0.000
+ 85.500 18.592 0.000
+ 85.500 19.040 0.000
+ 85.500 19.488 0.000
+ 85.500 19.936 0.000
+ 85.500 20.384 0.000
+ 85.500 20.832 0.000
+ 85.500 21.280 0.000
+ 85.500 21.728 0.000
+ 85.500 22.176 0.000
+ 85.500 22.624 0.000
+ 85.500 23.072 0.000
+ 85.500 23.520 0.000
+ 85.500 23.968 0.000
+ 85.500 24.416 0.000
+ 85.500 24.864 0.000
+ 85.500 25.312 0.000
+ 85.500 25.760 0.000
+ 85.500 26.208 0.000
+ 85.500 26.656 0.000
+ 85.500 27.104 0.000
+ 85.500 27.552 0.000
+ 85.500 28.000 0.000
+ 85.500 28.448 0.000
+ 85.500 28.896 0.000
+ 85.500 29.344 0.000
+ 85.500 29.792 0.000
+ 85.500 30.240 0.000
+ 85.500 30.688 0.000
+ 85.500 31.136 0.000
+ 85.500 31.584 0.000
+ 85.500 32.032 0.000
+ 85.500 32.480 0.000
+ 85.500 32.928 0.000
+ 85.500 33.376 0.000
+ 85.500 33.824 0.000
+ 85.500 34.272 0.000
+ 85.500 34.720 0.000
+ 85.500 35.168 0.000
+ 85.500 35.616 0.000
+ 85.500 36.064 0.000
+ 85.500 36.512 0.000
+ 85.500 36.960 0.000
+ 85.500 37.408 0.000
+ 85.500 37.856 0.000
+ 85.500 38.304 0.000
+ 85.500 38.752 0.000
+ 85.500 39.200 0.000
+ 85.500 39.648 0.000
+ 85.500 40.096 0.000
+ 85.500 40.544 0.000
+ 85.500 40.992 0.000
+ 85.500 41.440 0.000
+ 85.500 41.888 0.000
+ 85.500 42.336 0.000
+ 85.500 42.784 0.000
+ 85.500 43.232 0.000
+ 85.500 43.680 0.000
+ 85.500 44.128 0.000
+ 85.500 44.576 0.000
+ 88.500 0.224 0.000
+ 88.500 0.672 0.000
+ 88.500 1.120 0.000
+ 88.500 1.568 0.000
+ 88.500 2.016 0.000
+ 88.500 2.464 0.000
+ 88.500 2.912 0.000
+ 88.500 3.360 0.000
+ 88.500 3.808 0.000
+ 88.500 4.256 0.000
+ 88.500 4.704 0.000
+ 88.500 5.152 0.000
+ 88.500 5.600 0.000
+ 88.500 6.048 0.000
+ 88.500 6.496 0.000
+ 88.500 6.944 0.000
+ 88.500 7.392 0.000
+ 88.500 7.840 0.000
+ 88.500 8.288 0.000
+ 88.500 8.736 0.000
+ 88.500 9.184 0.000
+ 88.500 9.632 0.000
+ 88.500 10.080 0.000
+ 88.500 10.528 0.000
+ 88.500 10.976 0.000
+ 88.500 11.424 0.000
+ 88.500 11.872 0.000
+ 88.500 12.320 0.000
+ 88.500 12.768 0.000
+ 88.500 13.216 0.000
+ 88.500 13.664 0.000
+ 88.500 14.112 0.000
+ 88.500 14.560 0.000
+ 88.500 15.008 0.000
+ 88.500 15.456 0.000
+ 88.500 15.904 0.000
+ 88.500 16.352 0.000
+ 88.500 16.800 0.000
+ 88.500 17.248 0.000
+ 88.500 17.696 0.000
+ 88.500 18.144 0.000
+ 88.500 18.592 0.000
+ 88.500 19.040 0.000
+ 88.500 19.488 0.000
+ 88.500 19.936 0.000
+ 88.500 20.384 0.000
+ 88.500 20.832 0.000
+ 88.500 21.280 0.000
+ 88.500 21.728 0.000
+ 88.500 22.176 0.000
+ 88.500 22.624 0.000
+ 88.500 23.072 0.000
+ 88.500 23.520 0.000
+ 88.500 23.968 0.000
+ 88.500 24.416 0.000
+ 88.500 24.864 0.000
+ 88.500 25.312 0.000
+ 88.500 25.760 0.000
+ 88.500 26.208 0.000
+ 88.500 26.656 0.000
+ 88.500 27.104 0.000
+ 88.500 27.552 0.000
+ 88.500 28.000 0.000
+ 88.500 28.448 0.000
+ 88.500 28.896 0.000
+ 88.500 29.344 0.000
+ 88.500 29.792 0.000
+ 88.500 30.240 0.000
+ 88.500 30.688 0.000
+ 88.500 31.136 0.000
+ 88.500 31.584 0.000
+ 88.500 32.032 0.000
+ 88.500 32.480 0.000
+ 88.500 32.928 0.000
+ 88.500 33.376 0.000
+ 88.500 33.824 0.000
+ 88.500 34.272 0.000
+ 88.500 34.720 0.000
+ 88.500 35.168 0.000
+ 88.500 35.616 0.000
+ 88.500 36.064 0.000
+ 88.500 36.512 0.000
+ 88.500 36.960 0.000
+ 88.500 37.408 0.000
+ 88.500 37.856 0.000
+ 88.500 38.304 0.000
+ 88.500 38.752 0.000
+ 88.500 39.200 0.000
+ 88.500 39.648 0.000
+ 88.500 40.096 0.000
+ 88.500 40.544 0.000
+ 88.500 40.992 0.000
+ 88.500 41.440 0.000
+ 88.500 41.888 0.000
+ 88.500 42.336 0.000
+ 88.500 42.784 0.000
+ 88.500 43.232 0.000
+ 88.500 43.680 0.000
+ 88.500 44.128 0.000
+ 88.500 44.576 0.000
diff --git a/tools/lmp2traj/examples/output/dump-out.txt b/tools/lmp2traj/examples/output/dump-out.txt
new file mode 100644
index 0000000000000000000000000000000000000000..f8f31d476f40fb3b4b245cb4fb809402a1909162
GIT binary patch
literal 91792
zcmbrHORs&$aoscar?|t!fG^JbVL$^TK#)w5Nf0EN1hh;!3P@2PDIhlT;qzNnYjy8#
z@*0r*2W)Pgb5HHs)vMmsy+1zYzrXv#H{bo!Prv`^<A*=}{Kr52{PDZrfA{Uj-{|{)
z_|x}){2M;~{Q3X>{8#zGfBJ*|=;t55`9I(O_U9jd{HKq9``4e}{Pf#@H-GZ^&Cfr4
z&!3N<e0=<e-~ad%lz;r@`)@yf{^8>r-SVG(7yj}*|Mb89@bfp{^<Vz<Ykzv3fBNy!
zfBc6(egF60{`m33?>=<npJ3##`=9^x*Z%6`=YRU+xBAomS5)`E`;V9Z^6~u--+lYr
zKYe%j)6-x5)yLoI0gJ-l`YF%9`S>^dD{7a+^|i10&A<QlyYD{!_>DyH^S3|#lplV4
zeDj-+%lq?G|IE(c|K{WR`n){Om($4~{q{E>x7+9Q{eGQJdaiH2`{V!Sm+#Zzmw*55
z&)Y};_|5m<A3th|{I?&zgWCIfdVM}G?=uAJ^S}EYjP=?S9DdigzJC1nhd=!8_y72(
zAHVte_doohIRDQ-{P_Jh-~Ild>ywY)eIq3N?Z?Oa{r=?t_-E07{8%*p;rD<1?@f%W
z|1qxqXJ7q4KKy@m`P(0U`d|DHuD|)iKl-Zw=G_0`|6f9SeDbfkI6q#N@b&sA!G3%o
z(#z%J<8Soe^Xbu7r^o58yMJEqx7W3=9;eHjtJCNCd4KbFALq~O<9*Y&=g$ZKo?Kmf
zftqVb>cb*^IqB=V*)yascM;T0xQ)MkJ@oMB&-?9i*0+;1f2V&TeLkD(^YtcfMEZ7l
z)lY8cXYqgjyj|W;eRhJ^=UWed{yg8#Z+@#A>mOIw=6{gBo9pxSte-&o^gfBh^XL0<
zJ2hYL$Nel``SyAdGvfOCdNd0G_<iO2ax&NVXGC*4-TIN=57_oiu5~++e!QFD{d#@%
z--YyT<@zEql&r5WNthp>Zx@T^`o6aqPWP9^^*mk8|MPjd^o=L!x{5$hn<jX=oP2eD
zJ$lKmr>7SWSr(ZSi}$+qx39<bwadDs9?}5OTtCFC_&=W{fB1hqPmhKiI4i6`nulr@
z-sjs(-x_jU-B$3myiT9DM;jKAeqJM*r&fZS+%LePuHM)4qs4VT-3p{2T>px6Av|11
zuIJZX3Q%0%{qWcK`_ZI%_OfWF&*uyKQ#ZMuTmIJr=|vzn{b3P2N7koX;Z<ZFR-@PX
z?ghQ0jxDa|8+N$KRGHffzWbT4Mf&u5n(Nc!p~ov(*MoBP=KJ~#d_S7&_x)VoURuI@
zyD9oze`v0aaG>rVzpk<?@O8q(w1ls(cY%-3gv0uF%6bt<nIe$}UIE|j)}&9TYb_Mt
zKHld4eanqc&-b-;HMqX72zlJiHO2wbB^tz85C48WEa5jMBwRN%u_2eYe#<k3YcFUJ
z0%Dus6$?}Z(Q`wN2aYyAp7*}p>-x56?&q6+i+Kvy8?K*vsN(g0iJ^LHX<0_}+)}^Y
z-o_7h&w{&Mo~4%)Asg4vSGY!Y&GqGWZ8Sr=j4BFseV!X3j~8aC{_b{1B3w<<uN8bR
zd5_}yV#u9<Ym>R$VoERXApHKoDi!I=`TEvPE?;?>*V9~|@43QWH&!0kyOvf6e_gM=
z61T_u-V2JOsHdB<eym0nm1?fVqOVS6c91nbRD227*IF_u&k)!B{nFD-(wjEEB?bxP
zR_ejk<9@%lG#}S@nN3K)&nA7p)zk4Lm)EPD?UD4sJc*y?`trKisNQZ*TREJ3`N7jC
z2K3ywdtn(2()abEWt>KJQFKU)LvejRE0(AQ9RbAYbro{?_WrcxyFbbm=<kTVR&87y
zm>$)#zF+0Di}X$Qx~^U~NfR=-_U83<KS{#+mM`@rQy`0?%jMfB-2j~lmaO&T^F4Ou
z@pg#wdcS00`1bO^oEPa|4RIj-vJPU3BAQcfhr?;05l|V;kJs~TxV|oOehaP-mhb#|
z5jMpkPR2Jmqt@m>PT}-CUs~$V=PhBw?Jl?;%#%ga<_XeI6TD(3Oz<V|r`w&*R+Q7@
zUIz5^36Ok~6Rw~YJ(h0?%rJ-vCvOBa@Bl$H-cmn56Ei(tj#A#IYv77mX{$43y$IwQ
z4$seug&=*sN!E3f5{(fe+bn;1HNx?#GHrYo(i`}0;!6*IImsfI7<l|#Nn9e0QEC`s
zUq&eLD9ddt&EMH6MAkPMn<8D&hpx_KJ53NH(mKe^O7r0QezkjhTwXS+aRr;KiH4dC
zs_d)NGXgot`dOw(%NWadC2AJ<CfA#y-xE&WU++Nfaf?6(|J<!bLx2<Gdy6%RtZlg?
zkb59^CU-Lb=MkH{6TLp-3Q%-uD1tlVW+bj@p0;Jg+*{VKA&_${H-V*Z_avmM8-r^<
z-T6VB$Y;~bEcP0|R=JZF@0Qf#Qhu-&^j@}&Z=aayBK^iDHP@F5F(IGHF!PVA#qFNS
zOC#5FMf;E;sy1rSZZ9pSqrvxjUHwcX9);^K;t)tDoIKrRKnsTWkG?vc?pB^>r*Alg
z+qs+?EI?Z-Gf6LT$ocanJ0_(-XPPg?cm2qCph}7OmI%}42`AJyCLR}(ARUD4q_t4u
z6*<H_m3z?b__dHL(oe^y&r33e>!|~?=?XT|mB^JC-Zn~)*Leu!AsY^9f!SO?%GU4;
zBDAxXb}r*)RNn>_Pghx>_$R0Eli<~g^y?IX5MT-okR~Z88!`p5Ik2~b0Bo~>R-$>t
zJ)Ao@CznA9ZTZM~+Id_r#Le7zX1fd5{11!ajs_Tp*Q?3k8<QrH5oyUl$m3?wz_kOQ
zxPk@OkS?#RB^wS5>>&p6Pl{{Qfa_k+*O_R!zD1q<Z4k2L=obQTWB4&*X*{e=DKVd+
ziEr%Bi01Pom%EMc<ht~-%@d^U#|iJ03zV#hOMOLMqQr20SHdlUyehxc-?0)>bW3<%
zh4jU7bKS4V{N-1RQN0kT^m+r3c$D+WXa<EbUKA}_>Uc6|yN~CsG<kAu7=~+7d@tF^
zcFFW3nsdcRJUj-n5kj(C$q}EStP<BzWey%4Ov(UBa+kW2QlIa!cR*dz6zNCRnQ&l~
zFZw3<j>^;~*Bkh*%Dam6Em9{~h{<}$w-@OocT{fdC9ydL+^LP5tVhgoB82Ok;1pWD
zW!j`~;`-`ffwVoJb;00ZRF`1k@_AFLSx`!j1ws=2VepJ_w4!hFI=^LJ`Nf%Xnm(Hz
zeX)EOic_)84;gmd1hAM_L>z&jj>SLb%r^nn&eWzhE-FJcs~;JA;hT`f=62Jg$Edz8
z)C8LA*YznD<}%)o85n}M>&K%c9K)pXlj6Tb(+H_pTIMO%grZ%=QPY9>Cc!li(`4?W
z)B<ITftb~zd8RCc>2iK{BU%%#XRxp#<f+18arl&Z6^EDmsIHPb^=I(fH+kU|%nV7H
zNY4;w)5fyHO*)ALKe3_^xf|h+x3NM+z(ED6ip#aJI!nxV`HVX{p^WWEupHJmoNgtZ
z!u8uXp}gYcnzFiU!XdrMI%*5#Qm(z;UERZMCU1FE5`wtio%3*Y#&V09X+w6dozD`@
z1jG0i%U^+i%le)Lr8=p40wR24sapQi6%@jQkmwe9oa=X7CBDY1Mb^2=`~IxOLr4^`
zrK^+cC3L@hzExn+GF~1bh{jlDE-6}^9vGJ5|4l^I2)SL+`TFcvxkfrsZz4x8;{}B?
zAd~)|umb(?kd9OCzdLZf*bqo($-q?efCeVSL6c)c;@h8uti2M1fwm!EaD5J%FBH+6
z*Xyv{cmh8OcZ)z$!aXC)cDo_HfbaTQA%bL0J+psI29|8)LSdp2@~GM?ki)7w9YGPw
zOU`B71aeUXB+^%EVNHfUi7f|fYo|ai)BL~4Sa~|(n(B;h{DqgfeqI~_kx(Q)#f@7u
z6c(EF9ar4S|5j<Im?4s@XPV||=h_OOXcAsaG`A>9hiGspchfha<migo{neU0jp|~a
z<b%;S5u_Kwk99@C##~>9HF@4$Q$^7oWnEsK+)aTjiVo?jiBXfm!^VM8Sh3Vu(z+tt
zwdEtIb}n<iqnUg=gWyddmBorzWY~Cx>nM+GR^Nm;q;EpSOcqkVc;3v`^o<7_a{av7
z#87!knnw_0<v&wmH)&L_u23uygfy$|Z-eVi*3|x+hx2(lTi37U+l^~#oDIzv#VlJx
zYDKHcEYZ{T^PX^$5`+<gs3E9FhH^s=b1-ZO`Ezqk@U3qrLKfdh9G~=!+EbJ#<yxY@
z_{-_Qh(6lZT&R0C|6j<uys|jF-J_QPJmBMgEo;Klz9QST89+p(P+xPM3_zv-76Ujm
z|EQ7WN-*7|(G%<H`Sz?9z|n>*2qFG%z6gRtaQJa*DXoKqlMZo6)?LU@Jzq;ZalLq%
zt2#!_EBT;rf>AX=JVDEqJi&5R0@;AnV>W6c>!luY{j3O1R)S_&|AfV}l^}o!3<*>X
zzEi4DcS@>aVG3jeA8}R-WHd0Th`EwS9B3CycP$~#1=!Rth^z`fR_`gA_UPBocLE#g
zAyyvv;&ws}M%+(A%wevPwegQ((M^tAAA(>=CqBKEZEJ$5Q=&7L_2U^?pQ-%!jqygU
zGLiMNj66)j$xHtsHt<aDVIhsrs2R1P!t44;&KPb%)25WGrD6tYb#KKhk-Hxh4-2ow
z|0OGd4QbLS{3sJt*X$6wFUtsNm)3BI>2(m#*j`gh@ghH;4kBOgn*&QMUq#<vXyc7S
zpt+`VovTxpkp#YZRj;6>{sND!3Do;a{*&}3kg7rJ;fYUM!c;G`P{KNKWs|<bV3Ssw
zWQC$aq`y15-GidvDCnCn%4B_Y0V=i}q!bN4+Cg4gnlXvD@J9N(Bk2S9AZ<{=;HY0$
zK~qn{+{X}zQ)<BKV1ZainsC7N2EKYwk>Od43qk~|3}CRz$SRePSVfy$*mu_>4s5X@
z{0}{R$r{@A;~TZjfDdn5pWUxj|3&_f%Tv)GzaS{88_#82V!qpF^|nNsINUeE*_vzO
z0WTSWS<C-HnY*=-IHX``g0Ns~(l!Lr4rGBvf&f~X_Ko=6b^y|+76^7veGQl)xTxZc
z#Q^EWH{KX;h*FaYwP<*d=1Y|kfBUQq7=f^iE|t=sDGPHnPYd{nvzj2II2Hr3dq_VE
z16pLPb4eW#dL?MTR+o1QWaoN>2<2sXP~2&HNT;Mugf+%BagC!t>LOLApQM+V57kWV
z1DM7<L9sYgCEiYrEW58>472otQfsT$#1SC{!z^QInGix0(~pdV^CZ~jAmr%+7o{7Q
z(CMC4J?+T#Lb?<{_JTrcgAZq#gpUkB%g92J+V+h}LrwaGZ1maWdNZnJEQ{+(+Uh11
z{ppH&TN@?i=+VYk90lo!lx*6NP0^EJDs3?tI@0K13n>{eU-q|D7#y!KjAex?$Z?Zx
z8EdRdWH3dRH3F8g6xZj3$ZcWx?0vl_D<duw*T<}2k@b6olR%_-rDbk}->ACuO|Y(g
zWBTYGn?U2MiZh#nOOg3T5yI+0;MqorAEd8wN-jW5Z3jkO#EA(ewU%}+<EAp)+7F**
zpTy9}Wtt#n0PEB?@Hv{YgnT8MBk6-cXdH~%M^%?3bxgPy6t5OnK>5B{pa_zcpw}lB
zjyB}rWgtDwesB%oGT8@k%|8ffSyP=f{+T<g+Zl4)#LCm!c>gRbCp7fXU2$E!7WkL}
zX>kEL<N8IOXM;9uIQWs)F0zKSqY4z=3&lfa-~p94AgN#XP0(&D53aau_!P)Sx`q_t
zkZwRicLGZrB|@vd0&xx{-Xu(IS7@%4;3lq@IOI-2-wQ>r(gf*b8qKsa{h3-{B^rvg
zUS#}4d8lcgHm+%sMX3{&A`gE?F4+X}_pZ8=9wb<JQHCuE7v#8F1|0bxffuzDIMm`D
zW)>KpEMAFlTsy-!xwt_lY()?0o$J8sc`GL>()Y9`G>O-wY5H3rT`GbFA^_L4LwZs4
z`{ylFe53F~<1u0&91dv`gt`f+c0=xhKy1yWDJ77D+l6$R3Z0S`!bhEt4voz~TaL1P
z=_aYqtQ*f|+_<jUt5T0=)B}(1#UmxM10z`I&#-qcDP6B6I7ojX5K2xhO+;*hD5$L=
zJ}Lr1zgr+A3ayRASR42j2S#;2^C1-Dj0R#zUuk5oZ%kljMZeIQtk2Yj(6>izEdFCd
zMunO(lX>MT$^%7{PD+gzcV7l0T(P+!$KNf!@%~98v46}AfghgAk1Yq45sQn#f|feg
z&K^;&u@MsAxLLkP4*RK}l*-g#gsv{55>K_WZ;Z;g7J;8A(>4WSR~CW1<VQq?(Mijd
zoY@OX#onT!1Kv-ff>VD+2q0U3koDrx@1Hfs+Pum{>IyJhNEBR$KwQtE_n@o*gkNrq
z^_PSrkezgjS&TwjAeV%>ILXPiuc!(cd{-Hpy2%%$-+p+_1Y7gSq%9h{D9t}pPeUNj
zIO=oNa}Y>WW<$t3sXl?H2{N2&3D068ouNjEk~@ow0HS3b(n}BQp&o&kv5ZYg{gTwF
zb1~T!M#UT9z``|oCgRIIe8DxOlL4IA98r=3X0`GHU(JJxG}%^vOL%Q<q(xB%d73BR
zq`~+2tZYj^X1u~^plS-4!pb{spfS$}_j1L2%RGatRawTxH$pn9Ol!{IBZf5pq<NMr
z?KR69pVpt9X%*=2ra%_(Jw9h+yCUe8^(?=PyoDLk5*PaEu#<tjLiiNOf)Gd#qZD^a
z#mQAu6g`Dc9B1=NDa&q`Ft)^X3>FT78Kj3%svcNLxEfG(g-h?HrB7wjI2W5SW<PZ`
zE#D^Vt75q#Q+1{i2#vG;46KASVy~MpZY&4D-%-t}Bx;(c#eqF2=$i-1ASUC10Z>Ee
z<<ICGHP;lOoZnFODfc!>FTuh?8$bGyfv&+f8^{!NV)@cCL^5`7SK2_j-4w{ib&6ED
zMun3S2(?l_32{jCik-Fc(?s-iHp=LTD!5+8d>)?}&Y&2V5XV~)q(;4Mg{x-|)H9}p
zyX+^??hsu~glyoW{pn>K6Q8Jzd8MuuS!0$;aJWWWLoixNlof?<mwE^j)A4@fU5KHu
z^0K{9Gc0cR=G(Euz=aH20VS@ZtQTA}fLh$3D3+^6#q(JYZ!`DAm%YgJ(QQ{~k`}^`
zihc+d;9AzJ&`fj4SGU-3(tj@~n^0Q9Y%uWRQFSkSZ3&k^YC&W9MvIs^PYVQ-W`fw}
z2qfvJ5>d;a99$-AlEy^q-yoep_I8!`YgvyLeT^7ka*5aN3K*}jT{%AxNs%ss#q}Z(
z5-L7aE>p5D(Nx%=E5;1<t>&GRoH9S>uo<Je4a{stwd`>7>aq&8ndsoyN;Iq16s=S0
zqWvWKPl0TTj?pcy89;FTjuy=DjSmOBI2jk?*xllV$9C0%PJ6v^{Z2Q4`As`uuEy=+
z3PwSnD8$JrRrgY;NqW)7r<A$5CXwr?h=Ot!lt{a=LRZGB#blf;HzGV^0vjP&#>G5A
zIsrTO-?+Y#8d^x%yr5vAA*Z&nnZZ!$>ZmdYTt6va@-;l%NHA?pG@W7P$v!YDf6mk>
zq>5K@%}ldcn4~S5#x<nl2M_ixGx!8`6|7<G$pFmtBW8eKZi>E`CrD>>fN?AfgizZ$
zNJGL4%KktH3nWMF+sQ_X^aS6M%REUe{fCShT7d~!BanO2Bv9BACZ1A6f<V;l*6of0
zS!9i`Xu0+dOnyQU+)9nPPE8L})L3D+iTTIJyPor_UgoLdY@-2(-rV4IGwsA0+fb46
z^xr9TZ_%Lq<+8uzde-!6D~Pzp1_pe!LqZYZgN&nCc;X8h|1yxe@$~3Rui!~R-+WOX
zvq!&_1Jg}#R{o5lMgJWhC@aB+s+M&GvLU247Z$I;xkW?x5rpsn{h2&KT`^&n9_qE*
zpc5e**M)&1&7ejv=!Ima2~y7q*B9r#cytHLBzYBSPmjKsrzg8Cft*N_^S54-fo0MH
zqZ-mF8qpP#toa3_9#txuq&M?4bKFYxTQmvQ7}hfX6z6+sDKWT1#!OUItENZa1X5c;
zgaMMHAqFRMSTv{4bC{HoyI6CgHm%7-$Yw*>;ni|QQ@9e><Xu*8wYmCR!j=9^CE;cP
zLtDx-?e)fWnhF%y6XIa7TPcYDV+N=eHVXt}b{@3EE9aalv)PbmYVC~Y!A;3}B+~5E
z4EPd<D5!4bA^xlz&t=?j&0xEMh6OcgnrRkN`gOPh+dFdlh>&W7ZfxJe)#7%apD*Q8
z@am9OTr+VV`4d6ZO^7dCyQHn>yq8%C$JfbrH-V77n!_@xMVgX<KkKR~w;Kh0<)OW_
z%$$~?n&8`fBeRee16A6-B3ZHJrnnthX9E<=XuGH)prn2T-ywQ>auNVs!z-K8(#j!l
zj#G$7(HxQyLaf$YBO`nC2xQU5ms*(S8VeNu(;-07eG|H~EjUW5&UP7LFGDp2Vyv{=
zg|vbgNf=|_{Il+{E7&Pxg*sASQ9yJqOiRIS&~UxvjW3dT8zp?duh{<)sXr4(p@J<2
z`sl(B%xIcMD=}rgEF+|&6hz_{2n|v5%5Jg<Bt>#ITsV#b)|C!U(o6lCV<<e{Prxe-
z7x-ugH24UDd-2r!>Dw_cW7M##sct-N$bxH~aAA0z=Qe;Ui0dW{Dg=Br9EOFYTI(tf
z6Dl^jabO$iaZUl{&e)JtO+mU-B63RCgc)_W{7E1S;a`|1Hu1(vQ<iSCqh!$w%I38Q
zB%5o=m*l{BCj3ohYSTPz%XmxumvA{cSlbLG5P}cijtH%lp9YQ00N-BNI-?s;TrcM7
zMM1v}5GKjKMHTNh`-+>JGzTR_WxOpP@KHq8-yN5+BJHS5rO$F;modSD<+DJDqXNE|
zECOxu57!JtmaHe~CAoW%$66KmO$d&e3u>x*CLuTFe$>Ph4V1jf-%rwu1A}x87zt>w
zZ8T@!F+3;O>CH|&9cu1Kl`&zjM8LP1r`k=xPe_d%i*lku><SYPHcAZqwA2}w(Pvs@
zkR&xaB4m;EBeso@)dJC=o_~Bz21yv(Hz5VolZf;H-!xAP>Dq-WuE{MLUNQ~gD<LMk
zxvl&>Tp}uLgw|<ty;(kHTU)|Zd#u!i90nxvZ!rKzD-Yf37&Nje{dQ{OMmjA@wTPoK
zBZzdG#KVt~DnekhaHg`*vYrB|1r4sJ+p0)a2uBASxtOQ8f>E7(V+}1XdT%@Fy2&7&
zrVisF76Zc>@UMlsz2gd)RBLhJC#qTn)}KL5xZW&ZZQ>KJY_T*#G{RzpPzvakU|2{T
zVpKck(~T)<Yb9n`YbTu?3nORCfespc%$;Q!(~V@WuJjkuG(pQfOl@33cg{a@K80<L
zv%)4Bxg2y6(kXgzszAIE8@sje)AAWBEo(^2dg<|qRQr*o@*z!y!UCbF*8(Bm^E16W
z*qOP^Vz1v6^jpiwja(<7O){#(9pZ384oO)rBj39JM7C?^7aOveCrGCi0zp5#>YaX)
z&cd~1*;NYq-LKZ}ecf&@;}YV$Dd;yhRM>4L9(WYHtv(3_T+q0)UXnODM5ck^+EZB$
zZnDJJkdBL@<I@Bws^l}a2ey@<*x-B|!p1uOsf@%?(GMyE=~SFXF-4VeZla|nqB0<d
zdTUs#!G{YfH!{Ju*y}eI4+)D5n;a|#hBzYYamWg>W-m8u7vtq7#f+XdS&y9?@=*;m
zrYH?B%#*q9`FEsF_1DWtT2;x)B)!Rc%*qnZm<%7;Jdr&c>#Sp6fe_=G9+<<6fNxWo
zuI5Uv%ojG-J<#216w;*QO`7Ci4xmIx$CO`8SFkC1b#H6Q-ZAl1-OVdQpuS?@R#*Xs
zgnTVH{#)khON5L@55o&q>hYkeUKsVvTlKee?p)kpG@wk|m$I%QU2%=>v@2t8VKOlG
zm-c7mEzWN!Av%`<g(akELpJa|6z!K>GoL`56kHRpH)%2kH)WYI%ahOo6I`c2mYDBN
zLEji29bNXN2Zr<@TMX2UoN$n2XB+~jAgNCqvbcgb%hFuadl(sHw*P9Dv1Ls`#<eF>
z0k_<=nMRnJTyK_-%0mf+DvfYaSV`W3<#x=<=%J<lq9$qlQy-PMrYqP;kJDHP!gzR*
zzKxMKmeCqYzsri=27$jL^Q$;^B4iUtokSpltUUaKTvb8fOP|rbvRz@`s(EERHc2ej
zNxzupX;YbGftW}&HH#oaS`m%IF}9AxqhD_>mC{@;(=eBDLkN3Ao7bMH71#X6I*8%$
zw}c_hzqYztjfg|U^<2gy*JlwLrZgD<xmft`8GQbVfVOYK{E&;$I!H%Cn#*`}yCOY;
zuoPGj;c#FXcwobb)!QSm5*&I23kO*rjVh!M+kdTj1mw!BO6oVuT4(V!La3wqndn=%
zXc41&oLLa*RPqp9|CpXZDhq(6!N&-bhv&6#w?RrgvMKtpODfWGqT+DwmpNsygGOPB
z_ssV;H2H3%e(5H~qi@Sty%mwh0azQUJ6lmuqee4{w1>k;%)Rg!n2K$uD>zy{xX$pi
z)uV1Ql!yFH3&oAu@7&_j>6gtvJHzUBN0phOJEWN;=^x|A4MXxD3yJEHaZP4!MJI;j
z3KrB&(oLqlJ|-L@EdwfE*?`jq6yFl1AjI_TsKXf7bQ%35?6X)&Z@5l%gI%f#A}OSr
zSB~+py{6{UR|wehhv{<4Q_*+QvTfp;S@)J9Qjgi3{6CWSa;$(0pDM{~xu>kRWt_XX
z(`?m_B#Varh;K(6(xRb&YrQ0_ci0@2IhrSAT{)JxMy@PqT@74Q-?C_E=Jgd$%Ql=^
zXo+Up>!T|W>9n}f!N!21QuB%pG-<4yxn?Ize<ob(7t``>T#phK+GsIQQuP%D8zTf)
z(4T>78!r^yy^aWETgKW_Tg%u7=pY)F$2zE^ZyNRdx}S;4vH53EuyW3+jYkKDKnN==
zVRle78G33V-J@RIj+n1Md%oiDv5*xdekp6VR%Y>>&r*a9LO5;3@*g|$7^lxO5r@bd
zP4I2@I#C7TwS#lTtj0R=qWOQMflM91)e=rEbsQC0`zDn)B9NTtNgkA#iPoYK;?0o~
zNHt|KR4k&i0)}g=FEhvJH<cNs3dVPAsIVr!BG8k*6=}=*O<}D+!*>{bUvQn`u_C1q
zOyP};I{fRfle!5hY0Q(4w)s-l74QmtB#Y*ds5-LlNmOyoym6BzP2!4Q(0wW&bOc}V
z-?9ccF`Hm`XrsVaDqq2l1VWb4^5>L=L|LT3Lda1YXWn>*w2QAG#8DmQNh@EZ>Dyb@
zY1R`liL}0DXNiO~1+pw7lOL(|(%Xta>Ii`%9gj#i$;<d6#r2K3iJ&<JvY01GXGV(}
zVkA5Osg8uXPLUZ~Vp+3!zrZ)O@pytG0^#7g{_*Gm;M=8d#dYo3Eb!&j7OEFQ65rAR
z*l@l0Mo7!-6q!0&xW!Nv1ED5IW8iL5cfi23$zlX{n?hWoCstRgEP~9jHK@qR;?b$Y
z^fO^CY-s5fq(I6Tk5DrOvP4gi_N=T%eYM`=wN4yu{`1+`>P}TFg%~C+wD3ppEx4`(
zUt}mo12nEk#T2I3X91sf^ELmB5~(`Lw;UZ&b;=n8`zBGD5r|V-w%I3C$};9?55VU-
zB~B)*!}dEp=L~T+fsE}H%%>UG_dbb$C(#15kZ3bX^RRr+v5kT03o$cgy@ZoG584vu
zksB*?L8C^H?r$;wj=mXYa<xHwIGXE3s+-E(Jwd^Axd=+u3{CZw+UU(SsBoIZnJ01?
z`a7-sB9O&5qNL)BKV%<_<B%t!4(U33fk!^m{OOfIQ*A?7#?A6=HiXiDk;Xj9?Q#<y
zFKHfT)8e8*!0jY!_U@Q#rsMUQdFATZxkJ$tUyuN}n8NJgaKJgpk_^l`$Yg`fFlD5&
z;YVDT)C0acW=_0fnvD?Zb9s_^ghS3hp(UHW5)^o4yuLK5IWtT5GieZRD~&IXy-o>E
z<1PIecCTbT1+pz8$0n8xp`7@FaNi~ieQF(~vTrZL&8mc0PNcl)Q6P(#sogIU2<Jfd
zO~~UM)gdI`m<bQ3NsMtujW8$r#Ze%O4H*SxwpRJ!AsEpxecsRX$XG8O5kDP~Rn;>m
z*Gu$7WqNd<GcW-56z0~_9(JDiN$_Mgs?-{)#xu>+f@>Z|k5>Z8;*mB6h9svg>l<M#
z@(0&|PfkI<Kw3im^o@%Rfpo%2>`w$T{N+6Cjlx1JkIY>w57w~cKS?h(gp=-McIx3d
zOTFbvz;0*T8Y=fdKcxwB0+;!xg<WyfB)xzS(&C{=*CAYWl>}c!Bj0X>le9)1xiIuz
zRh&tBlXWFRO;DLtT_q(#iIUYox}{ET>Z}+8Q?7X0YhSgZbBNv?YfQk-ES(jF7L&OK
zg}scN7i|2?!1wATQeD6YY5iEdl7RJ(si2H`zA;}kj>}+Ah}+|YD~`xR+R78Idp|Lx
zsY_Vp*{g-3=ys^1Z%5a-l?UVGh6JIITL2-wE#o-Dhhm)lAce{xBx8+a1<q=~x5ps>
zp8=W9ofkA*=b&sj46lsQ2Q}5{FYwX&YL&se^|vf`m2kgMbPmyrZc*F_!6_u3xv@^R
zYlPt6T5yC`1<gr%)5d$k$vy|HBup671VMwbLPFj*p*HE}1N*7$8_T!wizSifd_I?v
zDJ2T8h3gzhtsp)@a34LVjE%Zb-I(Ep3N)t5Y|GejTcJT15NX0An=BA%w@cpMPr`;^
z=ZylNZZcJ769`Y*53j0)x$geBZZ}St0U<3A!WCy~*qrh_N74r`bD<|^W6wxcZc^i}
zE%jkTk}YDMT%E^Hm;7B%fWeJxilxmp<76RSmZM0I0Zr2OR(U#jE;7r&2#`lv9~>B5
z2MuGSgm5fB#*O%yQ1re+F#1e4rkf{OPcO67LpYyLMyWZpZ=t7Y+f2LEib56NQ3}0O
zTSJzyY~UolnI|?*G--k%-vqeoLE(#H=)kqdIW+9l-{O`WrNoA8xMpi~lR?v4nq+x~
zm!#Q{qpfG(!c4Hs{mfpJq8rUn*&NuM@SV$3^}7-hv$=g^D#4aDTHCUw<XFrcm$CG+
z%@c5ue-jyMdQC>{E-%!GR0-1U6sW~HqQ&Txy*_fil1?|{QYT#NCVi%HUDd&2ZTalS
zHKWz5!+Mt6ozc^h%W%@2tc1w0fzHkf<!K4a&Km24>2_eu)Or~eNFlCi`IrvWzX+s?
z5h6X8kv>Fjk~44+lA}M3J^5S0Vcl+Wz2F+IlL63ih_lTkEvNdXraiL)CUyGnsC<_X
zJ=&0k>k16S_2B@isWM|L4gzU{JcqLaYTM;GC)bP0a6X^lRiwwJcXFZz8qyyRAC*VD
z?fE$+qSoZd^}&V!9OWn?&Gug_&p0bYsgrNQv`{+*@NF3C1Z92uCD-FE1*C(<3JY&V
zA)|<*Q=us30sTp$@X5l@<a$wbPP$7tNkP1SEXxt_jp-3mhW?iL+9AG9GZfbod`rv+
zX=N)C2)50<QaX!hDu5`J$&NOHU}GHvQ#NE;zQq-A(w$WSQ#59ROAK|p^fjpSxdg}I
zaVc7GFsWFWTrVjpq$ACqRuPA{v3*%-cuAP}+6I&%bZaBM0wXC#byJxN#Kj?+-WYH}
zzdnm^Q8BK?McGq}r*Fwn^owbpHqvA373~%lr3lu(2wgD|km$8?T%L(Ch6{{$_TaVy
zD;?w}OT~=)ga;yn0l86K9hDJa(J-WS7!jglB0ae_3}c>ZJDE7-O(#|!!qPUI4D%*R
zAth?mkSn^z#u+!p^%t_PO%+-^oQxlyZJq&Nx*523TSKBTBb?!vnn0TfS%P2=(Tjv(
z#>NuE7v<?$Wo}FhslTPaVW$jyDzH2{u*HUCDj`cD{`uFC`!laL%QupqKa<R_v9Q^Y
zwEaj!T>=7fDPJ&-*ixs5WcA>^W?oQAjmg`QgVt%0bv=S@ND@)@%myK2s)gMZ<xz;Q
z$6KLD|Ep9tWxbPDO$P9h17<Rd1lR~6=WH}Hkmu}yS0^|>zz9^>V;wA&IRwFQEdyFQ
zI4ZpKD6R5D>9N=8jXtn74N}g9t*Z&XMb;dmSLGfSg=t0O8ixb;>UKHbj;Pc|iRMYf
z#b;t+dYQ$jLfXj%{d9Nwk)T{zk*-+~6pDFa=R9OxHVtHFWzbBJn^@&r(K+dErWu~L
z!AuRQ=j>NCd0S<ek+#XA_*Kv8n5jq~R0h&6W766hQXf0(X$!Qy=EAWR@A|M_a&Tm&
zev|7ZQssX*oaBJFm?F;Kumd3P?JFt*1|P$BF7Oh`l_tz(+yqiNisVXl!(NiEHw#*_
z9wXG_oCWq0*h1>niL1TdaNS4BL3*4!iN?nwQ<gIf*?7`0q)F;xB12Xc2Trb+NR>nM
zWGuxYEhK}l4|>sOa~~3;f_)P<_}NyH6Wa#P%EF>Db*!xHHRv;kv@mR5$1o<o(aT7*
zVyw*CQ%G+rGY)B>Gi>!{m@f8uoRve%r@!S8A?IS;w`wHQhFE!m>zc{yB@5R$oM>YT
zZv+dra-8EL7Wjo+yI7c{7mtn)PSv-MVk*&8+qG^t(rhLU?PWT!=UZ$@WtEfkwv07d
zBQo^m?OXJ2Ke*vD0!z!E%`p~;4s+~p*&oukn{HSB#0dwle|5`5LvU6U4k0yan7Fmn
z+1%4NVRMD^Gm6_Dk}iU!=nF!q_gFoi0pG1!6UB87FV~oJKZ(v+@Y4|hH8bIQiBxY?
zcFimCm_wZ2pV?ARX&;B)ToXRH%)x|5#Q;-f7PkxO#Qh3HT80eij@!B139j9jp~vX-
zA0KKV1=pLs?g1k$<1>X@?SSf=XxFcoEHf|6xj0^717I!p%nCNk$1bLpHTjgu`0Zpu
z2(hC{XPf}0b7Mxbn}sRs#a>rFQW&ldfv$L;69TELd0J+=1{wrwg<?0l`48zOQU&B=
zy(?)egx6{MMVj+inroV^jb@(G-jvv{?BW#2Vy_{cyoGZ{tP12tQS`Cd4E^q#Fm&hL
zK!{`OHySH#LpbR!Bc#}28&$TW2kRMwCN6f^Krhvr!2Y3(t4n8iy2XY-THNU2iOal<
zl+OGa{2MEfZa}KsX&=OCH)3YmkVR!U=`J;NO{2A3DK?li!JiS%c`$urN{+URw1~Ej
z^a4IeYbkokoU{?RWKNayc>E+7)z(G^Y?PJp3lhHyJIyO>Ev^94N_9jU{M!^E5Tlt8
zEnL?tVo-iYW^EUB1hJO(D3AlLNg}1JB0aZGQpJf;JrpgBA7pJ)$^hL~d)k%}<7}?$
z*dN^lz?y%$dE$%D7+<qMs5|$X&>b%eKe=9P2q)booTRN3$YrVm1C$VrV4-gUs$H3)
zHdD8ovfjAvHamP#Vz69MLE9CA7-PNLu97vcvSMj@I!<16L^3Vk!4=&310JtrJ>~!i
z*dzaG`NF?iK8+CUc3JKzkPUoe>KEWf!klB%w<E5M$|S3ygKfdFrOwto=4rDb<AiP!
z7-N`Ntsj|Emooqym;-w{)2<9M(`7Fc-?(vIsip*?Dc9ze-iaklr#$w$r-ihmDwzUF
zO`(2TzD;F@DH`=tYKgKOCI56u3Ek5+?pL<*EdVH|FlD_VBx3>^eTY%5LxDtkoa8Ov
z*lI*6-6mJ>g%Q>#*PE<st8#HT516g7QhkPsM$tiEDG!)2_~hQSI!Dqa_1J4p=V^Uo
z*G(i`^GqU5Dr0S=ecsy0yC&oj`Ia!MRQ{NOEx0c0Rb1CgyHE;Z02$EYI#Y1+-c6c~
z85vRG#^QSBGMlW&8x?TqMl;$GyOPE{eQS3aG17|ubYtA4o@tWa+-_CQ^@jwW;dN{o
zVc?;8RmH3qnKF#y6$-BIaQv#Gv(wfVnb|AnV#KF|>#p@Oh(u+!SAu1iDTNu-vTVrF
zJRM{W=~4A9G9_VBfL>a?38=4ly=-HJ!E{Sq;dKk-3$Ce4wB&$w+YtP3;z0am6C~M6
z-iR}87&3rg7G{Q%i#BqIo)R?iia>gKAQPuX!^pUxrfpm^YQ!_~3pHT%bVq?4a1H5r
zZxv<gC)x(qWKfE1f+J+o!(*>U8;Dv%>4YISZ_+BmNq6aH;4|z1i1}<v=k7rc-RRHo
zx=uKFj!Hs~TrbN=m9Pauh+xrlwp$C@<Nb(>j!%<TBHd5NwxE*wG*63B<)ph1L}ly>
z=Ey%>8!IG>Hcw;A1%NCIGgW3=#*yPPkzt@wu{UZEQX>ST>L`l?W>R;+PxQC(G8<|3
zakoI|X!V1lfuk}qUzQR1vpX}WM`yIOM}Ztd9M0$SOegT40!dAkQz=>?G$xE|s`%!g
z5a$=k-2%S6*npID4EKx|Ns-w`)+u^XId=3)D!E0fONhhyd<iE3fo07MLBN-Dc2%zJ
zMdq}ROlwiFY=Ok>ZnCZej07~+)3}}^2GoRoJBA?oiUD><Ddbg~d0LDr^RTi5BF*#h
z@VX+CFhcyo6h6aVx5@)T>o2=AZ4HBv#T7u>Lpw|{*;rDHOGHJgY<o=t){0K-Aw_`&
zW*mNz%Pa^<HvsHqVpSU#%U%$38@cSUswE>1VM?Y&qgt*O`3Sy6(d!K?CF=@qbv3I{
z6jyDi7`1Dx@SgYNVidyqCevOo;Hy0ZCE=?4>x$V7Lyqojv@rtV*_@-pf%%WDZKz`T
zq7*o?^cI-|GeJsS7L5)&DIw7&w8`ZR>f(P|zNJz1V9e6+0w6=eE~a1t6Z6re>nG80
zt=%&ju$J~1hb#i=7jGekJ~+9hK9Z23{A8c~By7J{exSdj_u0$%tFq>#yHt`GoA9DA
zU1G@LqU<jzLHB2b^{!azFdyCSh>!#LAZ>0aB_=tVQ}39&CXH5l@ieH=H$fbgsZF=L
zs0^f?1ro%JTmbdyM<%Fi2S6%mYp$0i@pKXhwf%n1AY>^JanfCsnq30DjPxo!`XH5Q
zLxsk;RHs3({yRKgDU^*;E$AYU-W5gMsUr&tUU+I%g2mU2LpT${4vf&God?_goHu3}
zm%=B9=qZR1nQ<UB<yf0dLNs@|sGHkMG98i*9}1;snzG&ml7sM2nPIteygJ!iG6e{>
zc_KaVGf}0ic<YPMokR5e6BV35Y4P9nJD!9o=w2v7$h0AJm|zJG(3FtA@aT|Eq{Mn!
z%ck3<Tp06|M4DMM8(+rQs%UZKdRfLkND&UP*OvO+sBkz#KR3~PlN#$6N+WuvDeG++
zGxtG8G@|N}CXwH_glQjpK7<RG>KI9=i1uhhR<08*GXZGuDRytE6O3Br`Ath$y8!xI
z>h;cciy-_jff<MBCCB9;4lg6#&r&CQ>t)2D#PW5ig5{<j;&lq?C0Ky8_$u{CA_Ok1
z6guOh<%$__#h4XQ^v5q4zjI3Z1?h1#G6fNHhz46U^T>E`(O4k{j=#kG^e;ksi9?>B
z!)+1mw?!sJ7X}L9W0s5A!?q^0UoC6)J3B=Q>CN&T-e{cEgLAn<de-?eu!IpyAqI=3
zCz%dx@r}>Vs#>dXMMJJvUWeD1f4V4E8Tx<y@F=`3H)!1|3mZa4frU`oDnm2R5tXKS
zOQ{KUENitj%tG(JJ8-?3Cyt-$A9Kh@U(tRYhAMNagvd7g^unsq!*kMU6Mm*ZcG9ku
z;&vqlEgn;uu_m=0RN`X1qHm0Vt&PgEg`}yCOUs9o?&O#X4Rv^PU5yb&nD#T#R%(?e
zYqX=|l!$F$W>XnrxE2UQh(@#QzHe8j$BAq7+#a10qCF>VbSeK)AcvTbS+>{<Vn{;{
z50%>`s#E0HT$9T<SRk(|8-DbShY$zSPKz-O$z=#`1HMr%Z?~mvml4?JpD9G6CMvTm
zBPZRd!dnuqd|X%5ZEf#HB8^dXH-jU5GBiuzA`#9IXDMqzI$0otR09{I5<fOyPzmlQ
z(U@n83&U4+hoe9iS&t*G7=^Uv^;Uf?9tApo#=MMW-7k93x4a@xH~DfI$KWU}XZ}zE
z0lBTzVBIwyEo0*cBbMZvrk@1&g#+WHyGV|y3NIcG*x(~z4A&ziCC_Li5iC?gWy*T-
zjgXcMYw_v~^jc7Ad2piz&CXnw(IdQ!fjR6X-7BLyWxc2jq!0Occpdww(0Sj)FKZx8
z!WtU&s@ImRlael$k3;lQe`KTz$rab-Z|X^Mm;ges4MfzoFbokp2oA0nF9YeM6zH<;
z1v!=%lnRh+8=|3%-%CsE<aFdgD5TH62yr;+E@LK?u&n4nn8j<ZM<SgABN_K`I7ykl
zeCUz%qUdp_Bpy}@R6cPO`Ew95CWt5wSbu41>f0}j>gzKWjkdg<C^>qp39j8sMi|=y
zAtg1gUrgUgToc#ZGS1`BYL|w@fN8VTF)$&Wz9eettdhcrn}S)!&4yqcjElUw15JpR
z;ncLTjE5>thd2xbY{N+#uE*YUdho_Ym*vVz%vT|x^o12rJ%;W&4msM8;=dE=7Zdu;
zHK*1M8!}FQqPHFiC-l{UD$O<hRcm8%nI(~aF*DYtl!i$<qQKDBWVE6PhHXvgCb>o;
z&)>`Vg{-Rq!r}qAs63HN^F<rNXwYu5hM_E<SBKMLM0(l~8>$GTIzl2%aVC~;3{nC1
zMhJPF3mKZ*wLnO3xXA&0o1$0JS(-PnLXpi%K~53y)k|erS|pv-A=cNo)2J@E=A^sW
zHq3P-j4^FMk_cHFv88PTLBFfp6wE40nWPt7Lpt*z1Obo{|IEo-)=V$xk@;-gn6+~d
zta?6w$G1Vqf@@B?OIKX4e(gUb)bLGcueCtf4dEUhA*-7wv_7|fqY>WA2x%Kjsdp;{
zl?wNZuvo6HGWuYtv)aBfJ8_(Wh3mzEK{`Hzu4_L$`HNF!l51N&n#*y!G%#Be=u_FF
z|Eibaq`OqDc|J>+Vgvk3>gx2gtaaE)T`}F_cnkmgi$3}x4uSO0yt#8Dr!|7=#3mSy
zCQb3qf<qwo=wEO>&S<2p(y}J7iRE+gyAYDRi(woKgsnufFw+%mvaZmvRA!8x0QKA?
zBQZeKc`s$H5y1V@s4fDb#Msj8R8ttnQ@6eI{J1_t{QY+nV%%P4@Tx4|(KoK7lN@R9
zRo?_1^zC@!)<M8*U8N0?t_?;|-%f2@%+s5<;#fWCw_EeTin*r4WYIvnZ>Max-5aG)
z2MfXVrj5*gH_%W^bKP&+DADAQ48qBDlPKERbJ8l))$}r(HjcO3jgm30Dyb8lFN=oP
z+%^B2YC-u~cv?OcB2QT_UWSwIQcNM1HrIUyQK?KCg<!$ZWad2?yyi-4b>d}~UV#qL
ziz#Z0AcUlcfw_o6kvTOP@-%k{Se)`f6W5!pXK8i}7LdJ#|2~qC+hOinAoT6r@73wX
z`n#`5D`3>a(^@nxD54p11Q14z-tk-y55SFj`tI8V(Z)52wn>liH8RqW&J-M|P8@<^
z>1X0q;kF?G-{KqJOsO<C=wM1%deY*MVyMM{K&(c30a1U;U)Aj<LN?N~#XSZbsj~TY
zI=a1Y!X`wP8>~~sw^QJh#d2>`8#jb7ao;~iQNrug%dw1%zc<1e-t>)Wj#pWFs?0Il
zy$EV(R9U{9wLy_KH|Zl^q?fpxUStpz(tN0=n*up{bdip2rXubIC4uRO2iHkLsE713
zQPj0HA+{=mHc21j5RsN0D6VVpvaZI97pa{MS=%mB5U{=GO(0g8XyeiHK{}xemP5RX
zG+rjR>nxnl$TIp#Xwy1!(ZIIt3bYke91$YY4s-SJUPijNEN$P!N{xrL{27=@ou2t?
z$=Zs-)h3XUQpk~5G#RktNn*L#iqpXkjV&t_927Ih?*Gid;Cj?)h&g~4ylOA0B}|0Y
zPr~q&<0!Ul+6*vPQ2D{c_0gz8x}u_b_&UwHt`4sVPdHBtthq+@wRrkFI&G5w<oaks
zL^_Ym^h^Jk>@7Mtix%EJMUGBMqm_qVYN`AL-_grJdYn|oDS9nyA`_W?@x>_(ttb>r
z9PH5hcQ~nS47$lQsvAPe0hAcZkF-G2QKy3CC*j<WXk*ErzoU&(8T?F1kCk9?Jwk+f
zO^ryCSy`Gm9NTb8H*K<zv`1i3+N$$?DUj;EK~TGhAtTcC(M{T~7{=aFB=4ILvf3%@
z#ec%jM95~I#&K4?ky8)K`2xLApw!^QgW7VihsoK48aYD9<oZ}sMId!>LvhV6(dL?E
zH2>t*?ZDWs<XntoS24Gq4lloQeGDf>I%vRWAk7lU*ge?C*tAit>KLLS4rvQ{9~Hlt
zrw!M2lCcQ#CI?HH-j;2My6`+Q-@<|UXIEykK-A{>kQrYuiath*^?uDJ188iy4_ku!
zgl<hCRs{uS^t#=?aop|(zP!PNpV*zkebk%1P{M^4DlK~A5KlR9teZ<35y+;EwX+f)
zs4c~}Fil{tX@<3x*0!@22sw?dx!#|w8&7RKz8ivNtk4D0q;V<jW71-;D``g7R8$Q}
z%C#wf(M=LUroG;LV@@r`iziZ|3DD+M<&ZY2#MI6n&_;ug+g6DArJ~p1s}Rz)16@t^
z#$vTVh@MKR(ORrwTXSyVY&Qs5xMqRk#~FfXY4V2&7C@xAo<n!+$oAj4>V6bREoddu
z7f2_c!i^ZiJb=9n8HLG=IE2{4(VtFIYef(E7Ng3kS(z5XD%pU}Tn2mH_Ku34Yuear
z+sbVCoLuju(=6`5tYn=7PIWi)&wOu7ozyOhLJFzRW?;6FuJ>t4l_@O*7t`%l1H2Ty
zQzDj;f@_;s;9Ac)alM!)4$&L4vbCiXu5~g-L{ljdq;=q5OP!LDD`pH2)`A{MFUvS~
z8ZjaS8YB>QRohT;-h9B9xB5U>(FcFW(K`{1)^RFN5Hi|+EVy-$q6-8|>WM=L4D2QG
z=)n)AOD*!`dhs%7l2@MkZ-rS{G+@}$M0bo3Oi{{O<2+b(E40X7Jg$zRJGk!G@oE`I
zmlVHi^V;oAEh8yI%O4w3xPS$U{L+N!z!swl>4cMXQ7mgBoFR~@GUlISf}HJ=?v<`i
z8?u2fA-U=+Sw=X68!c#Fk%7)S4gvGFkjw<TXc2q8aow9GAVVx?%|q%DNaWAloZSNj
zL@y{^nF8sT+E}CTg@&=cg7hE$#Wf4y1qErwb-x2Zzu+8Q{hfK`Y7<C}Ip_~L`!z;s
z3=Q&Y;~J0B#!Jm}{*GUeqi+TMO&h79SW)U_0lEp3QeH-;7i<lg*6N$^9x49<?0Fd@
z>m@7Te7>N8#-kq|$no&~B(dDoHkvfD_EZb=`IWa%l{uc439c*Efef|DjDHbe_akeQ
zMstmRI*!8ORkkP*_S=6Z_%^O<7C{`6c^DV0Cs*}ZTNuuHq}JYCQyO;_lkKsatT%0}
z6OroSW80Kz<|Y|tR0XsbnfF<Q1!@CA&E$FsCpqbE>|U#wqi!-LEyyUWJk&$_iVVzQ
zC&RO@jLc;$2OP^sxZD^94Z%fbDZp~T$Mjlbomj{IMl)Cv(&T#a=&WwMpKjPU`HQa>
zgg`n#>-UCBAQVvTWzde{c5Mx%mi?SW;WayXw0sAFaME3(YI?0v9-><dX&w%lHzAUY
z*w%nYlTNUpnMVG#tRbC7gFgIM3S_Y%kRCx~jT1;9glO?H*$++VZh;WiIQnB5%j(QD
zX$gWk=`OuRb`#jyYSz*Gk9`pU+z27@vaIoQ65KHkDbYkA<3u48FLB6tm%F;~eG{By
zFD-__o(G=GG#t5>REMnF%_9ai!CJj><6cnCBrsMW-B_UvmcPR?=(CCIMH_jT1d-jF
zldMNKhC1J9L*#u6xLT(fxZm>V)5~lsGsg+)g?^>zquH&_d<%r6-vZI0arJbZPf<?I
z(Z}RJvaVfqr6{$twcJ+id(~&`*fYYhcWs_HJ;$*XH6xp+k}#w<gk<*))_0Vft6W>R
zOJ8idUEatPuIbRoWE~N5i1|1~F9jCR1)57B)pF1kQa8eJwr%-z3OhpLTPkd|+jx2z
zUqv9@eS-|CX23T_H7U^9hA`}8T(gRedTr2`{!UphaR{oJzyKx;IpPZlS|9;mZ=@yL
zC580gF~hrp&oCTZdv1cr*KJqEcVcMSA<?`N#U>@CzSvI!_$m&Z;9DY9PP!Z8#&zIa
z@tULCu%DS;AV_Jf@NCjX{T(pWO4ulIwFxALUuXv0Kk=+DKc+0vT+^9wa-{cJ_JZP-
z$_LG5Ts%65=#7}E-d6xOjMzj&G1qNqH8<MILy;pTM5a*MJO$UbCXw|hD36^|>WO$6
zNp`)AW8#x)h>HVE6mGNbOR#WZLcg_))lRdRUO|j16J^K{(afPcsst?%IH&^Y6v!s)
znIn$DT}HwJzI49OMiZpk?0N_cR1!5U-(sEw90y_4QcRGZxh)69Njo)yg@iaM?JG!W
z7{)j5q!YnuE&AdA;;Y48!*$FigO@Cs@G70@E2Qp~U>8PP6QZaHgak~`oL**88BV%O
zn!ywkVt_P58q@7M7r<`YZE-|QrlKf~x5@;3n?S0jBwi^Jw#qPn6aL33Vf1VqjxlH|
zf5|U!b5#hN2-yTuBWNXtq4GTsSGUXQx|mrzV5$i!Jo7E$@E};0ajCj<h@OyJq;qyB
z+BPbd*>*!5Vhc&W;c_i?wZhLAff>??iz4Z<dh~Hz{UmV|ys)P6LxoM4;#=Ir2EN6H
zKsp3TUX2h&-r^KS!biZ{I!IhITDIM9pR%@jZ5zT#cL^Q)9HizoLu+#b6ggn42UCqM
z4p0s$2R6aCEn^M6h#&~DHnQ)s7YeC6?#G6B%!kdj$s7H;(aH6O>)M1R(wH5~TE}3v
zUNQpGyi&c$#3z%!ZC-IVF0~}#Sb_x((eru}u-j9^Ys$?CsdZ2hX4@4u-=%y+3qZ_F
zge>+N(kVfZ6<7@2Sk;q|7}`)V{NK++)xi^=n)=W)%{XM!#_>i19ARsjJfba!&-~&h
zy>kQ0O;^LkXq`%-+fCoNsm#OG84QPzTMJrciQ+ojY}plIg18Rb8s2ZP6`7Z;;Hv4X
zS~B^i*t@t`P-BEJgX{c~YO_^d^=mD+#W1ge>ztmYf|EV^oXf|}$D`L<KM@FLwM0Xy
z>_~7E*BjTorQKqnY*+k~Ne<Lxl9u|l8=bt8Dfq$B35L^wZMYui29gytURg#xXvsQ*
zR8-6yPBNiCmYeA|NPmftDq)EX<qg)mma*JJU5#zd)USI@v@5egO2}Hb`%)mB!P;VA
zlaghP18aYy3Q(h&=+2=#UdHa3LT`l<Q)M>uRM|>#9otOPEVVz*Fl_mgQ#z|*9>ci|
z6_koYrmUA`MDVHDkjJ&=k!vMpqITAwQFc!EpE%0+XM==<bOc{{$p#;!<@3ZfD&xgt
z<*o9XF=%lihA4W?oz+UD4G{;nab4j+{bBXCKrY@UddWgHt~uDo&qV*&StYS%1saAN
zEG*#T5WN_iIU&wCpDnk{p}Ee9wbZX|#%SMEI&uWxAx+|>yJ1QXTeOl=F#TmUVxLj_
zMx7&S@NvwsZafjP_(n)4(gR7BD*?M@&BnNJ-6!{8`IuksZ`u23mH$;&z<sQPq?|IP
zwV;)V>WcC4wh{zuMhMxz5rTd?oDb<G2!^y>zfyF#7C}@dip~R+tl2tQ*_ODjP5b&g
z_U_2?eTnOF20dLtb3MZbZLaENr1jNU;m{LTS4rT@%OBnDvW&IoOFWGC=mLwOM$}bI
zI%8HkH`BI;P^iTffo$Nr$q7N4s*0~jJqGD?85#Ibb+T<Zzre?r{J#X>IG2S9_xQ%V
z&KdJMymxJRk#8is^WU+LU(lSgUd+>tB;JolYGPR*#_z_7!QL!{mmv(d{Q0|f1rdn(
zj|~}?gI<V9Q@zMlYI^eMLW8&-<yvpOo%VX;x(ec2#xXUkAlNYzXpVWxED<AXPWT8Z
zDl3?zm$os7=*819RcamVH^#xC>Yi=yi1=(x*rwp3qu#e8S<hwM6upk-71u;h@iK?g
zK5eflj94J_44gp{>N_xtQC&hDxOU#cZsQb)2wr3PQl}&`bS^{i5xdU*38~RU$cF3M
zm?Exe^k9lg>SJHWaA0VW<7-}`Ygtpxsg;<dw`I(>2^}pQFH>V0k~Kq!Eo-tf*F#Vp
zXPUT)Qlq(yOZtB!8Vav9cqy(aJ>|2i>FFk8!zYIdxUWh<zkKK<y*aRK^Q2R&noNnN
z3RiWNgDffCn}3kv>;YgFR!k77FF`QbhrDv}O4L_ML4c-GOOc+PJB(m``y?RmUm)qK
z&QDpJ|JFuGD|9I`W5$eW(Ket8kAiDv)rvF?b=RY)Mpa@m9oXUuIO#6l8{^h|p(q)Q
z;4|wbQICBir6S*i@K0Aq(uMGFO;4z~rqW{DjQ_I9BDrfal(if)F%j>=C*G~1*Qt%0
ztb2nj7!U|7>#^SlC5#Qp^a$oD{Tt?d^dv{phv<ou?(|TSH5<*nph!5{Sm%Wae6*VS
zCfwGeCz?cP(kWUjMitWjLvbx*BmU97zQQ|LNEpbLI&q!_$HG>cG-bV!#)}#uqae;y
zj`fn-Qv{MW5YTfTq1iUA#KiTYGT5rvX3|d{uMj>;aO%uA|LoD~mB6ETY1yb5)bOFc
z-N09c9}%Sf8%3#;6eOB?J|6{}7KjET`ilQnacQcI!-jw_FKHt-%!1;W8p8-ZIXX!t
zi_Gm9aCdc>K2`nQj6*hUyi4E2HGk<VaBu!KhG>Dr1}a}NrpTSN$dl{E%Wyv5m=CEj
zfw~DPm~WS(J!W-MP;s!pp?6w|iR%p^tWT5S7tJeg=pA`)-bJt1+=~n&SZs`IuF0W(
zp^X(bMAmZ?Tn;%v!bw8d7-xb+r2?9!yDCKE>GW!2E$Fn@o1znVn(G>mZ-Hc?n4oUb
zWV?nOHpCts4K3xFvR)k6oq~Sj6;q!?8hh=<BSvUmsp1&J^bA~kWyI2?qv(qRgS6r{
z@!FbKT#u9bP|GNKzrsyZh;_auqS3s}Dv*tIc?uB(NwFc>9Em()xhdYadq7PRUsG9-
z8JM!(a9wjZ#dRHk1vf;)$qM?EBz;E9p#_Htal3_)9j{5k$xYTZJ|fceh2ypoX^?U{
z%>Xp1x>K|B>UczDa=nB&_s>iqINKG61m{uoOt1)#wjmUpBnH68QDnl;B)wQZ#g^7B
zVlTS_{Ask2q1qzDN{s2+9DEK7ReSovUPC&*1%w!A+|A~dASN~>StU(IhZ5LrcasuM
z?p((rI1oo5RH$2(sfU<X3Vt4kP`2C7L)C^B$RvI6jhuAn3NNNUF(0<gqG1DdOPE|e
zSwY84EIin=x=qpt8v<z?8x@GmE19yfLJcUS`(?ur9FvtCEL2&6X6b&#%W#NZj-#W%
zYhLH*3{}D@>()!+8iS85X;pigu3(dO<yfUMBl;i;u*o8V2-g9hHW2w+f+vCWNP3ZV
zc5LftkG3Y+9nXS}v))Nut$7f3`9-Bt3C=pm)sk><KA$ULoH!L(Gv{EeGYZn0hiOh5
zf(E5mLL;}ub(V1>&6EdU!(n3p(cn#GFC-+U0;MuiitK1Z1C1oUa{!uUT&7w$M9+B_
zk)zGNLZ;Zj%;h6hPr9&$IF%i`KP`}Oy_hFR%jSwh-p_5bBdgR;f|Y1{p;)u8C<5Bh
zUKveajq2jjIYdv>9*`y-j9#Key`X5kyEddFku~*v2#OgTr=U5_(-J*FI^iT8N-YW&
z4Rc{$IUcdm%xIXiU3{a%c~Y^8p6pxr?c#Ph=}r<ZfgDbUh=$H#-rg$CjhQhUp-{D~
zYLUTnkzN#ioTWB3kDR)Ngujdf=G@7azh*evAn<HX|FevXZ+uYDZ!xfRP9&f#8=@y6
z9rx1W_!~9M#5=aq8$N}Q89goCBuI~f^5`-$PGGE4y0LnI5Ze$6u5DLzOiHUvf`z4M
z@!&X6bB&QUK{O#;kEwAghrP563ML|Cq_7n#Dzo9b4=&ZiCnR@AT^dUH+RDQ@@huvj
z(xDI?0F{&uHe@56b4KUju6i8?U%zfqH(|GNmN8ikBTVr;w%40co$Z|zQxu1oS5Bv~
zUiRTf+=N-D3fN^=k{C{bEa0m_^U|$qw24EEk{6HIOOIS!TfI5&$!!$YQ_kaHuNU*g
zESoGxsSJm9G#S#GXyZ7>h7p{85*k|;1LwAt{3rO9zzoukijZ$ORDY*$f=<We#)eS2
z^kgEnc~{~ikVR!UL@zFu5jl7*MX9n@U5zt74?%Ew8GXyn06pC?zAnA&tN_xkZXn^2
zW@N$|ZA?j^OUp<d5ISstmtyM+2gV_KaYq^fX|6fF)h3I*q(;b`v>+U73!?!?Vf`4G
z9S{QPG#ZEwEfBRhEbF|19(^(kln`swj?kTsgl;^Safwtp=}z@i9+V!DYf6M;qlC*!
z)wldr8dX^CekM(*H2AWNi^@PckBn_L<Oo4+SLpb}@|7!w1q#r^JnaX}E_oxQT~ksV
zVlhk!Q#~>aVXSejJhWLL(X1yiuRPs`>v}I>18o$UYuinIR;O-A8|e!)|FmT7sEHN}
z^)q@}%+pg_gId<?D6w9GLt_P-)CeKM@!#P=UEDy{<%1^Ii`(U-JC`8vOa3t%;}TzM
zn?^k-VXR#l;iSt)d|7s7f^XwGD3zl3BU8{!F3F%yKNH(59Gh@5X}%=`(=U$NxZpYy
z6zWj2P$l8YVlDq(JOtu$EeGd0^`mD~Tu*^)2&s2zhzycz%f~rusW^?jNf=y*Z46D=
zC~;6?A!KsBxLr=VlZzE;vL53as9U|&+^t0>qt-JC*LY`tMwr;2MP)WwC-+vlGY)uE
zp{SkN70?OnE8MS{(V^)gJ;Arcd~hAJPka~t$5tYGn#~s_1|vy39eFyQ6A_iIG32<(
zW<zTCP6>q8g_kk)N3}uY3Q|_2&?Rl;7t}?{yiTsSWvq927U|K{q~8^3QZ{W_lUp?Z
zG-E7bMxSjOzL0h2*-Fqx8-?zmmyz~uFD<s*QU}*EUgDbAs*P%*r%fCCt#2R%A8JKs
z!pmYH5DY@{_Gsq+><aXymUhP1i>x{6uHqw<^)MP;_F6^>vnYY++p#N?B)yTuT%}8m
z5y%qrK{{m>)}(pR=m4g)<d3ElX+Cp^0Ir7_>)mVgD)o=QTS9kEx=V7=6BOc=%?q~D
zJc`wbjk}F&nu2z_lmtq7ra%^1Lplv>X0J?;wo=S%-h<5sOv6yen1L0ZiBFXMNL>2I
z)dId3uWOjT#iYqU`NI;(co#jJb=xjt!M(`=KkZ^%WWD%CNGCY=orRU=;m^O?WS!;V
z^aoGUf|;>U8R8(|wKZo1#qAb8DPc}oZvsg&PxIVA##fDOw~m+6(vtACHgf8T_Z8?Y
zjTX{GNQtHcGY-*HI9YPdy8<;MXZaJM1tHlvqc;iknrIfbm+=c(kCA!u*@hQ2goHRf
zY*1W}J$DQ@c#-u2N^o(+b*)plt{7ij)4CRbbk$pIbj9xT{*3gXZ%hR-{!(+vd^^Fn
zEo1f^Q9m68uIhZ%?O@ELduo|TmHs!k<6A9G3na2$LLAQLOHGeaUmGRTA3rjlpdT4?
zkQp<~82m$;L2@@<zL0evio(P5KFD4?6>M7Hux+Jpl4ga-h>H?jZp{0pgc?JRt0kA=
ze7>|t2-A%VD&q|_tVx>P1RwoObV;3}u=}I9{u0+U1thr+S!)cSADPb_Ht-})OxRBq
zA<+bDuBSjs>On|NB^2p^k5~DO+EY>w+F8zf@s`PesrEGKn1;=Uj7``07B3kiHeSZV
zoND@|n#JsI35Cj5&JbtwGIKh0jNhHdOfY3RW1aBYxMm!&eIv!@lKPbOPTIYER3<Vc
za$(6NB!-=$GF?yx%~UFQI)M+-thn9;G9o20(FB>g<|ifpS+4DAAp*1cGDe0_+Py_(
zHp^E{HL3U9qf0cy@`yBWZZW99-r%E;;BV<3l&&6SeLx5&-Nm*c5!*mYPp!(3POt;i
z9g&bqdKu{}NfVCI)4`}hI@uPC8O@wdYp$VZ<)^i1m0@_NS3;*aX_04qy|`USS9L%t
zGlpZx*_tm*a|Rp-LYUf;<&(JZ3cKYy7*$TXi$_5_EC$rg_6~_?p&&y$-ryssX#DHU
zgceA&aRDEslXOzgkF2{i2tn<~GU?2>kYu}xsSB|%1+tM&trvS?W6xD$Zeqybnj%)+
zMDJefXQJj+1=1twWf|j`KuWMO19p_(;8Vs|q?vDVaR9GW6GZkc#s31nSZS7V#HZsW
zi-a?gbz*Kt7Ghx-HqecyqA$73n}Yt(yiv3mg$zQ`2qaS>1ZM7+GTl;<*TnUb%e;Bb
zeLtv6h^5|jN>W|1O{T;^fa$D;idhO_gdsAj)9o&b4(ZWysFT)2kZPw1(hl&A*;mji
z!_0!cJe`mVb|&e?qjQMf2q&}IhU6$+UM5d`6E<M>O|W(~l0>A6Gip~b&C`OA@-4+{
z4a}4nQY1thW3M%FQldc@U2X<aTf(s|Bge$rfSwiN6zQ^UWeqb0hc<fqINQKnMN{dr
z6+K)pi8LqOWk8V9U=}n9zPOHg>d^;vq-(#4SYWtHq>l($Y)BPki`UFjXfVPzVRR;n
zp7tQ^Qfnx~|78s)u6>jC=x+-8wqq1mTa`&*;s9`iQJE+dLq2v28jNUx#G`KrVWhPr
zOhY%-NzzXf#BTQDDWYnu=)_&&0)dS8fyMGIzLAse<VO$)mD$(}?MLh%Bcm1#W#=p-
z>)1lV92dfmHe>-`Uh~4-sF6$bH`Ivz34IgXcdI-JsRPhi)(S#4fg~JI?h2V&&~XAH
zhP%Z;ZO>kkVyzo;6zIy(+DgNM9dMR0JB_e>!?%=|Y+Mgl&{Gvesx%~8T&&23kj*#F
z(+P5fEQV^{#03iV*;*h>7>q^k68aI>(_UX|om&i4n~h<Nv>gBo8l&3V6X2Qv!d`}g
znSL?j>!VQ>>9mMx^4fA!m^Q+DWWL;PhU`iFQd6Z|-sUOb)9cpwSF(n5LKm85slPK>
zZ(NY)HUBgP?QAh2MiOSRy8n~wqYV*hOODfq<W37A<NcY`a~dI(^r~V*%*SrHRx%uC
zrK!KJ=#Z{6aEf4Fw5h{BEn#{(mOs#JTxd9{)rgs#3N$9^Bd$f-<tpli8Dyhk0I#|o
zgVQY<I{gl8w29tUhn+YQ*F?y%iUVn0O4j;@sAI1=_PRf#T;2k~@%YAcOl$@ycLb2E
zV`F71x=07PcxoFZa`c#|)FjcoS~3+rQ*k1otx#eH!P_#9oocd-&Ff!$waJ=FcN3iF
z)S~l^0qzkmgP-fa)60^0CRTzzf-~UY`q-#KAaxp!l!97BZc^oDEhFR7{){Q~MhIvA
z=<oQJK}|=AUyvR@CP%U5>+yJzhCwS2<IAl)RDz9v4q&mD`HHkmk;qW@X})Meq?Jr6
z)Aj<3W#2-0>UtV?bK|Ad8?kOSgma@>*6`41rj{NUda_BqQ7}?}hb!=|50xDRxrvZ%
z8Aq548S~$j$ddJV?K5LH%|G)P<?<Acp_z5NaJ`XE=R#U*^=Nlmq(`bxW4>jrF&}v4
zTh6hMu8KA{Il5gCQu_r&24S~AaOi&ILk2vD|Hl|T^D?eZhU;Ub3h6rhqMTJVPYQ;$
zi&(eg4Ocb;%vQBRVO*UAazJ3^XVZpk0;zX@71!w(DX9qz>kz|o1--Lafmuaa{K97V
z5MLkNuDDLpNhidzrpAnU^6hL*e8P$TKG`m1A6J598T3q>HgY&`tun3Mco~FkMN!GJ
zzXeErW5%d#7x{0o<<R$+%UFA3^vDEAu^hF>yFN?IG-q+BRaq0TAY1)<K?vydR&o9-
zZIl>r)VADY6xL9ZnqE-#e){ida8x&MdYPScc<s~BOTx9ExUe#J`Q+p+UQw7R#V49g
z(u<;Vh~8*VjrW_#U^M?Y&Q=tHHkbDGE}vEz?PAa~O+{aD4QVY;i($qgiCL*yn=~gU
zwW8xAt(SL9x4xah!bUoVol0apqUIbL7rnPiqTz&@z6nFgBM9!-d`*EI)1)hh=%xOM
zX|U#vlmbPsYz5K~Y>;w@YGMEqX+d+6-nq^eA<f}h!c~8-1!d~1`De>QU&+b9Ki@Lc
z<&-q8;F!z6b<IEWhs=FMAex=A{4*BI@z+WM5e?a{yd=M%c~aelneA@iOAmnbIe{f1
zhY>>GFN!|5JyqLPq?zNC{3k+ulMW|2=`Mvs+QB9`j>)3}6!|koZ$&5AY4GuI_1kIr
zHm=7&G!CF2Ss_CFO^#d#>b5oPQ?T)({Z#4T<a%4iu_u1cEOfcHwQ<ZW<ee>4C*4uU
z168m*NpIk*=mW_S7&!DI;fP14&(Mkj=AG5Bk=fH)%tcfXKLv6uYk?59hBmw~eH|4s
zzBUv++innudtm6Iza^~PLifeXKsqHj&ZLQiGh9M3E+bW>Fs)Dooz9AxGWXI>T$h&&
zLKq*mqOk4P{EwCu%5Rki_KgtEf%l9ewyQk)bOqMSknT4}B5Uk=BZQ;NlPzKv+j6k=
z#R{e4L;EHi;$&IJqi@SdtJb{cy*DaLNB-%JQUtNBA?wPMFdCrW8qHj7%g7{23xqce
z+u5>%(f*RF2qZNI0vj(pDpn$#2-$Ew`U1=+Sn4Eq11kxPM-Pm1MAEexZ&{cEsRfO!
z$3Z*uG#?I`v|f_7n}3W_f5z~jV^+@ZDyLvxOEeWW4ASx_QW>Hw3xsN|Wj);kNxzLM
z=L<HH7{RI=Pi<Us8Of=wG@i~y7i?fEPF!^yLWw`!B&C(L@RT_!7qg=9*`hL#P8qqu
zS1O+}vWlS%G%lR;u(dXcG^S5#H0|}ywW=FUP!C#HDZi-3AJXIPd=x(WNjO{GRrf68
zasK+sNq2!9mejH)n)FTj_*U6Kf~LklRR;@>jnC!Ora+d;0;ESc$!qIMhOBZDY3g!T
zC^i$AG$~j=C&x~fQ=4vg<GLn;5Cfa&v$u-0-D<=-H9`DD`9V@TMo;{7Ov6f{rpheZ
z$oYJkre+(De*!L$u%zDaOs_a3{TnvC*!bcc%GMlleNY)bj$9eLZcmN+x~`6E9J4qz
zTF*^%w07f~$+!wOC$5*u0;J<nn6k8@tF3RY$LS(W^;*_6X!`Fstf$mylHR~~OE}p_
z(MSwkb<`Cj)?Qkww9PB|i<OK`^tRyv-=;Fv9~T)4NtQ51B3MDw8#OvRudcATqZr-o
z&54k08FLIq8J2+WFDzedT<6qc8q#t{C6GFRNmsZ_+d$lI>m{Qn_Ko!P>$9ooJJ*UO
zO0GjR^tOaoNNX^>uPE2{75z(>D)9EzoBk5l)j$(z0ywWc_PWuatfm)FZxw5gu9L8O
zCD`RtM)gZvSD0I*M^lja$TnmiBs#kP%!D|^A>67+`^fd8GECq0Bh!YndQ+e<uCb~C
zUrI&9$`0Kb9w}{{xIR{bv3xbPDX!^PK;~~a7nVMWCCq*kiH6S@*X;$>NL9W~uohgK
z|8`&;qL*nW+-}Pie2-E~#$Az&^F~VK78hka7cCM!ZQ3~B0yau5Os5((Bs0Bus<5|c
z^j0^xuGQ(IM~|{D{=@Y+uAvXg)=$vJ);y|m!#DPeF_duhwjpvEhx5}FEGa4H^Lc28
z?8kj2cu8PMwY;5`PKQr8nRf*cxR>XjG2c>IfV7Q0Wfe(XT+>Fk7+}o&bDnn0Q%n|7
zh`mgfaX|=obP%cCQ$h1Q+blDw3f&u|SXW2d3{{t|PL)|~2&6N?!dnW=b@%+mKcLAn
zR%|F&z*I=%pI32J96Q6wB~s-OJ$JO2GgPgyR=#q?y2_9%iL|S$I(%LDC%Lmz{+hI+
zQjuvLgfGpOSVK{`Ru5Vx&H%{%-G<O+8m+_x-zICO@><c4iD&}j5xSGh7>1~rYY|#T
z>FPv?rQW#a5WNxD%p-#eXeAIDV|`;LNL$g_)MCML&VoI9+{m_!-E2Z2=yWXiI7yn7
z$}(oonRDG#S>wh?-*uCKZ{zx!GCoQj@YP9Q#dYRqv4!@Rl+GLjP|q)6S_gT$MH_j9
z1YvqoBZU4)U$M64n)$E3!h(baO2Ms0lj}q1&iQ<*9TbPXDFg#bRl*XM&cjW87LP94
zEq}8AHd!IP;kr4L>nwQHO)B)QD`Jfzjh(WW=j4vW*SvYLxsFj?Dhr%+m&Py=xdlRZ
zB$khH_U2G$Q`Z$jaM6e{m_qo`%Paz^^KRgf_*oCn6+N9{RQnYTl%hG?!=y={Tj~_1
zs#h?zamjYkpA4fZHEF41B)oXEtbE1cWi4Uso+A=op;w}r_IeXYwU{JVp3cseE~B)J
z&xnwtGRbN<WklATZ*>SjFY=UiEoii{6u3yoJkd~e_nA1vl^uTK60~NT+ceNzsGCfq
zx^X@BjbZ}B^_ah=PGbwhd7c&s#}u^6^NPq?&|^5caLrqg`{5a8x4qNWhyILXctSdj
zD$a%Vg3{)6;WIX5shC|kH^Btwf#Bpzd{#orlF9P*O{hQkTZW?CKZvY1^Hjr_1UASw
zp(6>{(8daO^li@GMHz=S=G@YdUP7F!4j?QJ+1MSGp*9GI#dUoqG!P;;4C#`3d`;WY
zCCn-7CB%WWuqiT=VDIA*_(%YP>vTk^EVwVGw_o=<O&e1DH~0v)Gao|Q7=+}k5DEdA
zdI##gv`ooZaAceoSC(-xPmrz(qg18}KjNR<x|N!YG{bF#r@h?ty^L@jp(H>~MPG2u
zNq0$=p<~fdFo@X<E_7l+-wrq7$c5~n#tx>echV`+Vs%WAVZgS-m{KbWy;g%yullrv
zsm|-~rbl0L8BV%WX41=O$Exf<Tvw)`1tl+OK=K@}sS+ht%s11djceX`VW8En%#wBO
zMiD_a&J6REKKiJqaolBvN7G&}+6dP%MPxl~uYuuM+HBw=-7r>^<+VWALtMUba=k>V
z^1<f14`3>;qsj~xj5;4%xXP|*khzzeM=H@Am+@epAgyR$1c?V?l*U^du|T#k6o8Fu
z?~LXbWIwvymt5ztC307{D2cQ)1v)nN(Kkxfm%)O*on|FuUXNTa+F0&XT;p!qnh<FZ
zql!373`9{@9+@XU$=H_?^R$FGoOG9p4eJ@vq}i(ayGdjJg<;}ryjG(INjpl34cTyA
zWpI8%H7Au+##P#nsGZ%UuXqewzTTI@FLa*2ZZ}nCvDd&wGL%4=fQ>-L5zu(V<`qS^
zQ34^hmDIP&-%Q`QlTL>K!(jtTkru9XJKT*8724eh(ZK-x9pBOl_?JQ)xK5fuldFHC
zzLKx_EL>-sDkVh26}wl;Gr_khdR{(A91?^`zm4^tGc5dA8}W_)J0giPv{TWSgo8u$
z3@Um7v2tYLgMV9TW>XzUaiEsNW_se4gnUUluUewtCB7tKrWY*hKL139N+(Da_$ZS(
z1EUmIdHYnE4SadIx2E{uRb+bVT{ppMW*PecCUSK4LGl^j!gOiq1m8xwy5hxab?J14
zP0CHiz7EQ@_A;HiN)uEAg_+6q<{M)yah*dO$H0<1FWioTe(N9ySi54(C~QTv6Cn#}
zA_pb-;+5{R%|3fvtwwy=wpms8mbIEEXlOlMj{b|HFBur5(_2I>Ee2VtmO7`P*%Z+c
zHP<ANeLEe5+Mi9*hpd1@^b)YML8_NWI*1HQ{&}sNjCqqG^GIcop15Q^6@6JoNXvkV
z3?{@6it<=Ueb$UnGdj{ltj^i+zm@4sglw|T9s&ZE6av_4&~g>l#g}UGIqj1Z(&O)O
zJn}M=w68ia<D|QUW7vx(gGWqnomP!ytts8Q39*Omwcai(Ku&}#HbjT$g~N)EB$}})
zfkmle3ZIcCWf^<qUw_v-+K#wBxLtY@4ktlHGDr%j=ASl7Uy+8otf;+7dAc4@o?LIT
zu4uD(otv)51|s?+hT)@!&rx*ZPe}6%4FKwir>xC?WS!0z?~QTsSUbWX*rIX8Moy+(
z83iIIfsn39dvd+03@J=4k1U5Dl&YLR<AlAIFqY3gNXN?b-*JRzf_PlIo^D%44m&N<
zID+)ivDY@Q-dwAMBTYdn!3ukLCN|ELHqK=<{}D*`3-ELqL}GQOUN(N10d=IO)9qVa
zlrEicBo5iRPKZE~Yk^QZgP>$hucl2YX2q79BZ%xM7$_-dPFZgV8CxlE8OT)xk-F{O
z*kyvEyGZ_~?$EbmnAaXXxy-hVAj2Hi*{OvKn$up|I%}qE2*G=OMueu?6Q8l!p;Ug#
zdWl0g=`Kmn=ndf$GK|Tbf8!dLY_4IzUQ#a~*Gf#%OUwu96lvLIYkQ#)isrgs$||nM
zD^D2)vNa*<u??BaxY+9qS!#gAM%AyR(K1dOlD)9l>nJ*N-xA!^#!c3BP)(tsPM<1S
z*IamgHfFi#(lrcu%4F~aW_r3Qkd1Wtw<1_CH7$a3QY3Q4?Hcv8W!&2Zd{ye2TrUk+
z4$;fRAw%G8b`XuYsoSMzj!m+9vr*gyQaWIjj!e=UuE)l8?HDr*2g1oc;tJBMq3N2U
zBPp8%GD$B2p=Ihm9PzcJSps3+vJpZ>yuk-TjCGD8^Nb(CMHO?8+E`d=8v<z?8w`BH
zVInSTW7ne!d?_Z93D~_csb2x;T*f7D<fOYai@8YXQubN|d;4#Z1|sz&M7GXvbn1z0
z_$0k7Bcz?GF?5&q6xm9feH^;;aU~or8phWg5#k5y?<VO*(K$qK6gg`Thh&XUvjd>x
zV5wt3+b#k=dvpSliUB6+<8I?Cq*I9;`xZ%l5+cyxXoAfCCorQ=<>mGZEsYCAvw)8Q
zh9QP=)GU!%mhqYNlh={7HZo&u8^}hSDm+hwEUp03&b@C$X00fcsuSXHL|xxR8);ie
z#8@8HWcsumwRtVB4{->`(YfT!%xRX4?v&9CYD}6ERx1xRRR@-2gVn$B;{6I~hm)Fi
zm2L@gRlhFf$(bmeykN`CP^QP|i5B&o@#97MU{v8c%?A>p=-}9P){}j@9rPNIxZk8x
zyjx1oG&3-(e6%sOc9q~ziUMB^_vnhK&JhU;YL!v!TYpDLSB)z2Uj9jhn+>T=_C;pY
z+G*s%e+eW(jNEQ>O#@k|Zx-w&LwYHEa)@3Md@_%QmySP$Ox-Sf)X_$Jd3w9f8FV;A
z3nZi$-w0_xGG;8@3}z24b;9e09C<?GYYJ118jUosMs-tkbit3;o0yO=F<<|fNITOD
z?9*wzq#$F{fHSQ)_DgM~D^jF&c(WCl`Ef5O#n4_n&hs2)t#P~;uO|}LCqkAqi9_@p
z-=W+gO%u<)g^Z}>&%u9gsBmVE6BFKt_b)XCAsstLj?#}zJtVa=s)QEJ$Qc-z(Pu0&
zk=*9MmN6elYbk^VGO+#$RkB3dbXc`eQW<VoS5!!>m%w@h-)8x;@t$aA<mfYR9~%N_
zIyGvT8n=*eoE51~^R&r&RDCHZN6|UnwVy=OCCxR37;7UKZG~cr$9en2bzQZhbJAV%
z7Ah>3H81_NXvpaz>uev#k$Fr^?=lqXCqfonLwXd%>+lZA6)OR+rHx~{lO9Y<U8le{
zNGb6+O-lN|)Sfu$E|EsRz@dz4&S1gtjnFY~I$>?nN@mJi;+iV6C_1EVeSukW#1kXM
zmi1`XlkH|1D+%P8(8}^MUc4!q$a-!)tP)U(p<aKbEA3|YGR6lngqZ3iQNO;Of!Tr(
z4$&Jmy=*_lQy8!K8~Z`hjnqSQ9-VK;ow=G^@1*0ip=Y3Bl`!nZ|D3<33swYm@PC6(
znkCYcYeyszNJgHamqeO!v+Xst??yApotGQio5?tx%~Q7vt~Z3tw(ERnO9nOw)rLUQ
z1AcSSx5Laj<|}8*O*Yc8ZK!SHDAdxp#*tgDG<j`97-{QoNkJSy1lLQ5!y$U%i{h&v
zo&vA+@>+ut!aC;^w7;Pok_IL-34P-)NY@G7S~50qn^&q4y-*+|vS!@4Z;Z8;dnjl&
zAiq?Z)TOaCZqcJWvJG{+I4ihzA&C*Q(GBhZVn(W)4arCh2}g=?=N^8RHA!m)WV#;0
zMrL1e5>45aFS)LP)-p<QWi(GB2Hd!#KgN8FYqI{fh8k1Vw@1r&2+W>3%*B$cBbFov
zqJ0Yl-`I<%xu+&bvDP(JLJHqFxLyJ?PP&V4LBd|V=Cx&=u!k(8mytK{X1U4Rr7}|+
zH(b}Lc5S8O$1$%4pE9A+H)6FU(#XS*!#v3}Owtxj6n!`=GW~$Bt1|-Rs05?uO_1o+
z%gAb%CQQ;^&_UWc3I@~(^4z>27>X}$LTK3Ll}<qv1y9@piOOu?8`UN1OkPmZ42yw0
z)r!t8ZjqsI%OdyfK($L<a~bO<;d;CQT@i~-X|gSO$&gOWL~Yx105oiC8E2ZbEF&k~
zC5XXgG+(MLKu`#wOp|5I&>exV=ew9Uck^Ugz5~~g9v-oJqXoG-N3IZFtqIARMs!Di
z3>G+-M?_`$rphe1=A^rrP2IYe>@U7r92le(!PUc$({;gxJ^HM_&zXf8PI5Gf@NX+!
zSBpR>^O*Duad@>*Zs!sl0C#e&8RIqsq~PV$z7$Bu$XYV)Xn|z#7|A39>#`71XFwuD
zG=P0IPm7n~d_H4S9fyFgI~TfLUiU}d=+K?Qrz>X64U|)xTrWW|C*7sGB!g`+P?zW{
zd{si6Vfp&F308-mNIA8M>y7K#gGtXBd!5_S470svn`bKzS%Doe{>kWyHf{*1GPsb-
zGxv`XO)`a9)*|w4g`$+@IT961TGm3VfV<d`*JrXoCV`z6ll{jPpcL%@)I71uu<gDD
z2Sn?$>A*HcpSxWlX@ulldQejVBhSRvp7uAK9^z1rQcEr9B)!Rc9I7+-#;~i-HjoK-
zYbcGGCe75J(-ECzqGy`RxWw0-&nJ%}Z5+qNDqosLbu6O;8;%l40Lo@*$$ygGWIaxA
zVo;>*Fpa1nWGo}Gx1$d>A<B=784_UKcnV}GA#y&Sprk+KgsbM2TKY6u4iWJ2cEB8<
zoJufhl9-t`WCPzg9}dYiyntc!lKXjS;h;ssP-!}poZBwa#sybPJ>*3}KLm3MDOuN0
z{tVeOhv!6;+{go(_^*1p$@SuPU-ZR|2K55DGoqPAT3llg!r)we%Xo;MiN9lmtGSNK
zY_jehXb|kzUzJ|MV&8=7STC)D;1&&Iw*HLjb!F=_oZN7o*K1NjOcjBkHOiA+fjUsd
zvL=jb{t1CAqWYS2=0oPmN%%C&AMelvHA>W?p>FF8l5%r7>WS-3*5mLLiuVr34!e9t
zW=nF{x1-YHnUTEsZ{m8X1as1z<*Gvkk+2ZnJ4kgkYLd)mdyxTO1V?*QqM3o&f@?_I
zXV6*<hKYDtye92ARZ!s&lOfh9Iz6zqA=6$T+%6~G#Urxk%Ru8vjSEz!my9ZolYT_)
z&vew!YMvIO3TayeMlweFJYH6!^TZm%?Emd6@a>WY!9|&diI9zSy|hRVPuy%-gFV}o
zgDc1`dbBsYKGY`V#$UMIHwAseOH(^u#vD?Df+mAxTDpZq<=8$5*IqTYNqSqx(K5lf
zAvy6+cp(`IA%v=ZMat7Fp%F7H6fLke4Yhdu-O@ba5WR$x46a)sw04c~!!G)_jS_mE
z>1K{z&=XJaEsD-bcO$+V9bL8}uw(_k6h4Wf97oYawA<DGKk+|RW(jd19Smc9ZTSdI
z8V#C^^Ga}zN{fMZge?sA;9nX}f^?+GnU9t=aYJNXVS}VTjyEE4tqevh(ZS9X$foF3
zn$^P-vPK8TYnp(Fr9O@o;M7<ds{X~+%3MNsj{b{BA!&;%sF~FIaW%ljHTx_2CY){I
zU;%(sN<G21sZ8xrgbemNWjR&v8*;Qa`wDXrZN%+1!nr70Ikj=)I_K_bwkHpoM2IaM
znR#JXW-ll`K`ow`VbEo@d>hx444Oky0m~Z6STDz`5HzjTP7Poxxq~!~1Q$Nz8#i3%
zC?I+Y_9#qTBs13lHaF(H4(bWkMmF4<8G=`RJ8``!di^0h&`5I@tC!MSWuV+JR9mK{
zjw=X4D0=C3UoPWogpO~=&8po*8?(!Vm36|w7+&n6=Kzk&xVVC>JeoJGNuAWklMrHN
z8GA<(Fy!n(*>%39>|99t!tK79(C-HY74hEm&urW1LAG2OxrpUsJ7|NCFtAkK@o7oD
zTv@08kT#SEaT2EMJhav~Qm4iR0x_C7Y$7oqeaRJkM}*w;&>=H+{8QCxG?3h-IG~9u
z_(CA4Y8x;5GPTIRju4Tqp8zjrWur2@gRaOBv&Kc?-CAWBL~sVib5^zFDC;Q@NY~3I
zv}CFhS`1@c7l2#pSZRZg0|xuXwBCM^l1_w(wED|MdI*Fy>qo|cjUG&nmM6JOQ=i7E
zP=CbrLV8$a%6o9bO*lOyyb>_>O>}Ti;{t_o9EErDz)XCj5nc#^>l!nW*+d1Kf7-{f
zCZshc%{DxtfelcqwG;~sRXa@z=?x*N$zU#$h^koHLINw6HD=u^KftF{vIP?Jbj-lu
z8akGBb{lh=txG^S8Jkk(6s%gz;-p5REs-Vb#C*qKL8RsIdl_XVxZ*696tk#RH=0R5
z-R~k3Ho~b5xH=hu9PKrv$NVy0rll!d1T}Rmt5$;GwIQeN^bJxbL~FKTBE-s*WgH16
zkmK=$klv`ECt;&tqglsg^o_AEvgUlNsn}H@$2bJ8D}xakN~A3iO2-Kx7=Y?!WPU5P
z54P;|?Xa^IR2;cpw6XT_6lv6~rOt2r$J9Mj_{6AMASilU7@oHh?n!#X^&IKRsSk+S
z{Il`LiXtn}x5I+ib8^CPJ>7H##}EgB<Uj@<F2+(RWSb{~h2~YHTN^2<de}p*Q3^Fl
zZ_7CLGSWXYK^Cu7o=wgvUyQ(*zPnq7yr$KzIJiE>A#h#Eyx=ucI`z#g^`6)h__7Cu
zqJ<0kc(*bGQ`W~)i%84tYZ-~$dAzzBicZSVHiRJ9qM;)#%fa7Kt~IWs=)OsCT^nhO
z>kL0*s76-CCiRv&6&af+YH%%oz3*7=!A6Ozjq6wrtWHu=wm^9C2yA>cP8GyE8{s;%
zMWpBG$*~@SK*sCl&~6(lGRRhC)F|GY-Q&$a{V}IgWJ%Q%nF!gmF^R<7z=A7_HDvEw
zn^M%t#W>|M)>`_U($(o37nR}TEFM{4{{&~7&*s}~>GQ;f)cbZ>Mh(BLHsl!d-5_ma
zqnAIl*`e?ml}FZD#vF-Cv%<Xs9dj&MPp%h%aMGQj#K@p+8|9U>?dkINGSbDh<)%4h
zSH>_$Sr`-KCX2m>bizrFLd-Ib=?kW{jB7f9Z3Feb_<j-%>ge04GK&L)wEj?v!nm=o
zU?w&&?=HiJWX6o>qgepgWou>zw#m8<6fV+buUmP9W_<=&npbU8ZT^Y<1W3Ncb``FV
z0y)GX1Y`~(577tC#RMsJwY_6Ykpp`;O-Tl~B+*#Hb+wSrE@HS(W=qInR{)rsSMWX3
zq`X80dsgmkhLgwRjR0S?j4oWpN{M*;k+Fu}R7B9@5*+5t89YHlB_WgahLCamBfFWr
zi~t*6OV-(xLw((a3?$=;1~y%mHMiwJAWIy=`Fyod$eg^Z^-a0Va0*q47reUrOngmc
zyv0Qo&4F2r>ap;NK(dQi%N<2eS0DC=QH@7oCfG}>fL1I_ZQQsnpIzXqfL&MJ-xmxC
z-5ViPpp6U4S~gkiY$)ZKDzo8wjO%Kv7d(h`DX?w=K!&|`lY+{zOD)vPytE0-HqtqQ
zHS!X#{Og<inOBP|z`_P-^W^+P>M{1qFi6$>^HMh{kDiIumTDbc!J;z#25bJXx3KFc
zq(A;KziyRLtI4DZnrwV2VrnI(tT$Ybh2pnH2q+Bc4F8j-IY;NU^1(kAEAHW!W0`<&
zypKw!3G{<f`mlMLVGr-wk=fUNnX0bxbSg!N>*;ov5C_s8vOM6r>y(X^^bcr8HW{AM
zu0XrTTOf&^Hs4q~o+V+1nC!>#9^pFbp=7aTO@QpW1E-ypmzi<M<_gB?U(CyxAfc}j
zPI24IINz1oyJ>hPC3gbpbOj67^>N7yJC+g(1BsS88}Ve3D=o2T==<8_Ql_sFp$Wc4
z*8C6a8w#H~<=pI~Dq$}aKDONhRV~-fm~yMW-mz$Lz%`_U3wj|js^iVIgn=z#z!yay
zr*`YWYzc1SdQo&vx=U%69hmS{DpO_HTG|{a&-j5!<B|nAz9r`=lQjjh#37I#a>cVY
zX&kG=F&d)wlFXO3XfS+buPZom!V&YdAcT|dMhUA5M8!34z9|W7%&HZI(B1W4c0E}K
z3CJstIJ(_3Z5>}jI^mf1iksk=;KGd<hA6dFhH09{Kd!Ihz$uU=zQ$$7kB~m}Bh&Ip
zR&#h6UC;lb=p0ehLZZxP@I@f@H{m)w$TZm5GAiC2lD#F>$DudEnI*N$Kv<>n6Cq2{
z;z9+ue*)=jYxjG;r2L08$)dsUn`?q1SJ7faHiXo+2`wJo_y(1x>MR;n30wZ-waK_N
zTNAyDu0=CR*Hr{k!7ZdcVO<ExNf6|{4u^?2>~@*wb{s-K>lZotf{-x}#FE8wB+OOx
z)G#DyaE?v`HXfaGGlicSJ#DhCeqHf8;t+<WtUOo&s|;aCLz9SAi_9+wdP;B;e7;Ep
zQj;knO(D_*C*-Jk#fD@fHrqoyi$;i9UDD}gwq+cLpy~WXD|$|oAsV)o!!$csql;n(
z%)Xz3;g{eW8=Lw-5An~mnd1;FX<R{)Q&K2*NikH_l%1qE%a;?PReFkqQ<|mJ;tmJm
zGD7q=l~#V09mK+n`7HIwdIl_My)(U>)QKjfm$Ba}gTJAJmr@;GM(Q?6Z<dcU@mncI
z(nc>P_KsO(t32-%=$jB%+6GcuvX_s_Z04yPet{2j*`UIk_9GKVSqzLYxgJFX;APYn
zGu?QmNgJ-2V`{F^^d_w_$=DULtooL!qW=!9v=7C*6@I2bcG8&-nLPl)Nh5@AyswyC
zY8IIOvRx!ytqg1;WKkI&CTPakz-xi8cUuBOa2C=@q_ruz<xeTGqF3|E(=7;rbmBXO
zsx51d28&Zjdlqpx&EQ?I-W0_afdb#OAxnI%L-gRQma)X3D@so-b?jIMr?CgEJdD*0
zr`FxbX+sv3fpo$#Or&qZjIsUAF_BJu&4IxdoKw;-WnClZ;+0W~UMK>R6arB6_UNR3
zwk9;JT;sukRU2YPPm6it5WS4_V8@zkju#AS*h|r3(1dtjk%6V|z{rSh>`0HRopi>H
zu|HNBl5qHM`I~FPGKV-Sjr&{FQqMUNvdMaGWy$Hx#QKpnMeEi}IviGSwu!hC!Y<o#
zZ&TJA*VTO!hqRi_4bcn_T3qK)BlO9^0&@k5ZS^gaZ@Tf+#*OQ$MCuQTSWKFAY+mX2
zIyurTPWu}!JUzl-T$!gydda{zpHE?mNPBpgA{%lI*3+!#*{w2^7xQ!sH%qmS%Xo;d
zIYdwM>P4F1v9GA&L%PzWai|n^zD5YGSSt^+eiidg(wjhXvLWXhx|K<&qo3$@v`b|#
zSSZ3aZd|T_nnr)imttWGWT`A5o#+<fg$YtTvv0vl=#jYzk-LC~m*E7&Hcyn6%1|9i
zA3_{RC&$IiS;BpMVl6GN18CA5cGX-{w{_Sl80xc0dMUMBdCh%49=))^b>6vwKvI^V
zAz@jw<FlWMT3adqw0s+`Yr_~El18{7t5QpINTh8=0fqjSP{$+xBx*H|HJ5P%-#Ei$
zrgW^15w5L{Es%T8w7{C!qZ7|M*o@n?XgXNn5Is*IkU!d9u!{CK#Kn%K*%s;&qIS9m
znq8(jD*7P^hICRQVp^l2cSa*5MrfQ!)1q*%h6<ZV^DVQYWrn|W1%VPvmYX2#+$5tL
z8vgIkco4f?_P&(VCqg!X)C7)@+s70Z<i@L%2|tW*dTDJ}NT#f{<P+I2j2sS@yJd}P
zCO*Q=7}tzkWEp3RKCh@|g2-oD5M;UhSc<}OFW`f8b@0V?ZB8w&Yo1J3WE`z|M7|Cp
zRl2ds)wu$j${e(jL-f*l!PbLj5#*}5=4}OqYigL|Xl*u-N{#qC!uk@(T*k$QKssX3
zJM@|~z-`i05Iv*Fl&~SE7i;(5>4lcfb#T22gmrEnSVtbd#E|+UNAFZFtfFo@Ot==i
zXL?D6`XjCvfdr*kCrgv$)ImH4A5`cIsBjN$LkQ+w=FpA{eRd>$a0MKqm%u>d_@&e`
zCT+3^!Hir&U?)uUNZrulH9=0KzYs`DgQP*8wjp^-uZF32^U5e%V}*3jZdaQog!;*~
zuY&6VxjyfoKctbVAWTxHBQ5j9PuNl}rBG=+t3!HFPcpS}TgJTCkX3YiiUF-)hn|gh
zJ^((s#1>ZvHXPkaC$s#`1mBX&+*o@aSsWs2tB1Dl@R_*jy#`#dAEUn|n5>SpK6}@I
z>5Tc7tbjxGl9{WhRD3~DSSivJT1y~vC79u>Dkh`>lAdJBdhzIx9^=M2wZaWpNE3~f
zDdh@gC3ShDa=?6xvenf7^fDGrma)!pDuHB+5P6r-z>g889V?YfXTX$4YmwoaB7>}<
z-PYtkq}lOiS&!--Y)jE8d7(ynWL;$tl02tWrZjZRWtKDv_ny23I+APKJE;sm=5Qp*
zUo95qA?jOp=2h(#fp~A&|L^JyYybd38210ywsVB&0pf&(fHSzhetH=u-Ff727}C{r
ze(nS{0(Vn9Z$joGfPqiubqsdSLVH}+{-#49v4**Bg4}XZqtcZjh|4vNXDrbSBMC+@
I8^$Sd4wMFz6aWAK
literal 0
HcmV?d00001
diff --git a/tools/lmp2traj/examples/output/dump-srf.txt b/tools/lmp2traj/examples/output/dump-srf.txt
new file mode 100644
index 0000000000..557e37c94e
--- /dev/null
+++ b/tools/lmp2traj/examples/output/dump-srf.txt
@@ -0,0 +1,2510 @@
+ After analysis of 3 configurations:
+ Bulk (1) O-water : at.type - 1; col.title - o*
+ Bulk (1) H-water : at.type - 2; col.title - h*
+
+
+ ra rb o* h*
+ 0.290 0.383 0.000 0.000
+ 0.290 1.148 0.000 0.000
+ 0.290 1.913 0.000 0.333
+ 0.290 2.678 0.000 0.000
+ 0.290 3.444 0.000 0.000
+ 0.290 4.209 0.000 0.000
+ 0.290 4.974 0.000 0.000
+ 0.290 5.739 0.000 0.000
+ 0.290 6.504 0.000 0.000
+ 0.290 7.270 0.000 0.000
+ 0.290 8.035 0.000 0.000
+ 0.290 8.800 0.000 0.167
+ 0.290 9.565 0.000 0.333
+ 0.290 10.331 0.000 0.000
+ 0.290 11.096 0.000 0.000
+ 0.290 11.861 0.000 0.000
+ 0.290 12.626 0.000 0.000
+ 0.290 13.391 0.000 0.000
+ 0.290 14.157 0.000 0.000
+ 0.290 14.922 0.000 0.000
+ 0.290 15.687 0.000 0.000
+ 0.290 16.452 0.000 0.333
+ 0.290 17.218 0.000 0.000
+ 0.290 17.983 0.000 0.000
+ 0.290 18.748 0.000 0.000
+ 0.290 19.513 0.000 0.000
+ 0.290 20.278 0.000 0.000
+ 0.290 21.044 0.000 0.000
+ 0.290 21.809 0.000 0.000
+ 0.290 22.574 0.000 0.000
+ 0.290 23.339 0.000 0.000
+ 0.290 24.105 0.000 0.000
+ 0.290 24.870 0.000 0.000
+ 0.290 25.635 0.000 0.000
+ 0.290 26.400 0.000 0.000
+ 0.290 27.165 0.000 0.000
+ 0.290 27.931 0.667 0.000
+ 0.290 28.696 0.000 0.500
+ 0.290 29.461 0.000 0.000
+ 0.290 30.226 0.000 0.000
+ 0.290 30.992 0.000 0.000
+ 0.290 31.757 0.000 0.000
+ 0.290 32.522 0.000 0.000
+ 0.290 33.287 0.000 0.167
+ 0.290 34.052 0.000 0.000
+ 0.290 34.818 0.000 0.000
+ 0.290 35.583 0.000 0.000
+ 0.290 36.348 0.000 0.500
+ 0.290 37.113 0.000 0.000
+ 0.290 37.879 0.000 0.000
+ 0.870 0.383 0.000 0.000
+ 0.870 1.148 0.000 0.000
+ 0.870 1.913 0.000 0.167
+ 0.870 2.678 0.000 0.000
+ 0.870 3.444 0.000 0.000
+ 0.870 4.209 0.000 0.000
+ 0.870 4.974 0.000 0.000
+ 0.870 5.739 0.000 0.000
+ 0.870 6.504 0.000 0.000
+ 0.870 7.270 1.000 0.167
+ 0.870 8.035 0.000 0.000
+ 0.870 8.800 0.000 0.000
+ 0.870 9.565 0.000 0.000
+ 0.870 10.331 0.000 0.000
+ 0.870 11.096 0.000 0.000
+ 0.870 11.861 0.000 0.500
+ 0.870 12.626 0.000 0.000
+ 0.870 13.391 0.000 0.000
+ 0.870 14.157 0.000 0.000
+ 0.870 14.922 0.000 0.167
+ 0.870 15.687 0.000 0.000
+ 0.870 16.452 0.000 0.167
+ 0.870 17.218 0.000 0.000
+ 0.870 17.983 0.000 0.000
+ 0.870 18.748 0.000 0.000
+ 0.870 19.513 1.000 0.000
+ 0.870 20.278 0.000 0.000
+ 0.870 21.044 0.000 0.000
+ 0.870 21.809 0.000 0.000
+ 0.870 22.574 0.000 0.000
+ 0.870 23.339 0.000 0.000
+ 0.870 24.105 0.000 0.000
+ 0.870 24.870 0.000 0.000
+ 0.870 25.635 0.000 0.000
+ 0.870 26.400 0.000 0.167
+ 0.870 27.165 0.000 0.333
+ 0.870 27.931 0.000 0.000
+ 0.870 28.696 0.000 0.000
+ 0.870 29.461 0.000 0.000
+ 0.870 30.226 0.000 0.000
+ 0.870 30.992 0.000 0.000
+ 0.870 31.757 0.000 0.000
+ 0.870 32.522 0.000 0.000
+ 0.870 33.287 0.000 0.000
+ 0.870 34.052 0.000 0.000
+ 0.870 34.818 0.000 0.000
+ 0.870 35.583 0.000 0.167
+ 0.870 36.348 0.000 0.167
+ 0.870 37.113 0.000 0.000
+ 0.870 37.879 0.000 0.000
+ 1.450 0.383 0.000 0.000
+ 1.450 1.148 0.000 0.000
+ 1.450 1.913 0.000 0.000
+ 1.450 2.678 0.000 0.000
+ 1.450 3.444 0.000 0.000
+ 1.450 4.209 0.000 0.000
+ 1.450 4.974 0.000 0.000
+ 1.450 5.739 0.000 0.333
+ 1.450 6.504 0.000 0.000
+ 1.450 7.270 0.000 0.333
+ 1.450 8.035 0.000 0.500
+ 1.450 8.800 0.000 0.000
+ 1.450 9.565 0.000 0.000
+ 1.450 10.331 0.000 0.167
+ 1.450 11.096 0.333 0.000
+ 1.450 11.861 0.333 0.000
+ 1.450 12.626 0.000 0.000
+ 1.450 13.391 0.000 0.000
+ 1.450 14.157 0.000 0.000
+ 1.450 14.922 0.000 0.000
+ 1.450 15.687 0.333 0.167
+ 1.450 16.452 0.000 0.167
+ 1.450 17.218 0.000 0.000
+ 1.450 17.983 0.000 0.000
+ 1.450 18.748 0.000 0.500
+ 1.450 19.513 0.000 0.333
+ 1.450 20.278 0.000 0.167
+ 1.450 21.044 0.000 0.000
+ 1.450 21.809 0.000 0.000
+ 1.450 22.574 0.000 0.000
+ 1.450 23.339 0.000 0.500
+ 1.450 24.105 0.000 0.000
+ 1.450 24.870 0.000 0.000
+ 1.450 25.635 0.000 0.000
+ 1.450 26.400 0.000 0.000
+ 1.450 27.165 0.000 0.000
+ 1.450 27.931 0.000 0.000
+ 1.450 28.696 0.000 0.000
+ 1.450 29.461 0.000 0.000
+ 1.450 30.226 0.000 0.000
+ 1.450 30.992 0.000 0.000
+ 1.450 31.757 0.000 0.000
+ 1.450 32.522 0.000 0.000
+ 1.450 33.287 0.000 0.333
+ 1.450 34.052 0.000 0.000
+ 1.450 34.818 0.000 0.000
+ 1.450 35.583 0.000 0.000
+ 1.450 36.348 0.000 0.000
+ 1.450 37.113 0.000 0.000
+ 1.450 37.879 0.000 0.000
+ 2.030 0.383 0.000 0.167
+ 2.030 1.148 0.000 0.000
+ 2.030 1.913 0.333 0.167
+ 2.030 2.678 0.000 0.000
+ 2.030 3.444 0.000 0.167
+ 2.030 4.209 0.000 0.000
+ 2.030 4.974 1.000 0.000
+ 2.030 5.739 0.000 0.167
+ 2.030 6.504 0.000 0.000
+ 2.030 7.270 0.000 0.000
+ 2.030 8.035 0.000 0.000
+ 2.030 8.800 0.000 0.000
+ 2.030 9.565 1.000 0.000
+ 2.030 10.331 0.000 0.667
+ 2.030 11.096 0.000 0.000
+ 2.030 11.861 0.000 0.000
+ 2.030 12.626 0.000 0.000
+ 2.030 13.391 0.000 0.000
+ 2.030 14.157 0.000 0.000
+ 2.030 14.922 0.000 0.000
+ 2.030 15.687 0.000 0.000
+ 2.030 16.452 0.000 0.000
+ 2.030 17.218 0.000 0.000
+ 2.030 17.983 0.000 0.000
+ 2.030 18.748 0.000 0.000
+ 2.030 19.513 0.000 0.000
+ 2.030 20.278 0.000 0.000
+ 2.030 21.044 0.000 0.000
+ 2.030 21.809 0.000 0.000
+ 2.030 22.574 0.000 0.000
+ 2.030 23.339 0.000 0.000
+ 2.030 24.105 0.000 0.000
+ 2.030 24.870 0.000 0.333
+ 2.030 25.635 0.000 0.000
+ 2.030 26.400 0.000 0.000
+ 2.030 27.165 0.000 0.000
+ 2.030 27.931 0.000 0.000
+ 2.030 28.696 0.000 0.000
+ 2.030 29.461 0.000 0.000
+ 2.030 30.226 0.000 0.000
+ 2.030 30.992 0.000 0.167
+ 2.030 31.757 0.000 0.000
+ 2.030 32.522 0.000 0.000
+ 2.030 33.287 0.000 0.167
+ 2.030 34.052 0.000 0.000
+ 2.030 34.818 0.000 0.000
+ 2.030 35.583 0.000 0.000
+ 2.030 36.348 0.000 0.000
+ 2.030 37.113 0.000 0.000
+ 2.030 37.879 0.000 0.000
+ 2.610 0.383 0.000 0.333
+ 2.610 1.148 0.000 0.000
+ 2.610 1.913 0.667 0.333
+ 2.610 2.678 0.000 0.000
+ 2.610 3.444 0.000 0.333
+ 2.610 4.209 0.000 0.000
+ 2.610 4.974 0.000 0.500
+ 2.610 5.739 0.000 0.000
+ 2.610 6.504 0.000 0.000
+ 2.610 7.270 0.000 0.000
+ 2.610 8.035 0.000 0.000
+ 2.610 8.800 0.000 0.000
+ 2.610 9.565 0.000 0.000
+ 2.610 10.331 0.000 0.000
+ 2.610 11.096 0.000 0.000
+ 2.610 11.861 0.000 0.000
+ 2.610 12.626 0.000 0.000
+ 2.610 13.391 0.000 0.000
+ 2.610 14.157 0.000 0.000
+ 2.610 14.922 0.000 0.000
+ 2.610 15.687 0.000 0.000
+ 2.610 16.452 0.000 0.000
+ 2.610 17.218 0.000 0.167
+ 2.610 17.983 0.000 0.000
+ 2.610 18.748 0.000 0.000
+ 2.610 19.513 0.000 0.000
+ 2.610 20.278 0.000 0.000
+ 2.610 21.044 0.000 0.000
+ 2.610 21.809 0.000 0.000
+ 2.610 22.574 0.000 0.000
+ 2.610 23.339 0.000 0.000
+ 2.610 24.105 0.667 0.000
+ 2.610 24.870 0.333 0.167
+ 2.610 25.635 0.000 0.000
+ 2.610 26.400 0.000 0.000
+ 2.610 27.165 0.000 0.000
+ 2.610 27.931 0.000 0.000
+ 2.610 28.696 0.000 0.000
+ 2.610 29.461 0.000 0.333
+ 2.610 30.226 0.000 0.000
+ 2.610 30.992 0.000 0.333
+ 2.610 31.757 0.000 0.000
+ 2.610 32.522 0.000 0.167
+ 2.610 33.287 1.000 0.000
+ 2.610 34.052 0.000 0.000
+ 2.610 34.818 0.000 0.500
+ 2.610 35.583 0.667 0.000
+ 2.610 36.348 0.000 0.500
+ 2.610 37.113 0.000 0.000
+ 2.610 37.879 1.000 0.000
+ 3.190 0.383 0.000 0.000
+ 3.190 1.148 0.000 0.000
+ 3.190 1.913 0.000 0.167
+ 3.190 2.678 0.000 0.333
+ 3.190 3.444 0.000 0.000
+ 3.190 4.209 0.000 0.000
+ 3.190 4.974 0.000 0.000
+ 3.190 5.739 0.000 0.000
+ 3.190 6.504 0.000 0.000
+ 3.190 7.270 0.000 0.000
+ 3.190 8.035 0.000 0.000
+ 3.190 8.800 0.000 0.333
+ 3.190 9.565 0.000 0.000
+ 3.190 10.331 0.000 0.000
+ 3.190 11.096 0.000 0.000
+ 3.190 11.861 0.000 0.000
+ 3.190 12.626 0.000 0.333
+ 3.190 13.391 0.000 0.000
+ 3.190 14.157 0.000 0.000
+ 3.190 14.922 0.000 0.333
+ 3.190 15.687 0.000 0.333
+ 3.190 16.452 0.000 0.000
+ 3.190 17.218 0.000 0.000
+ 3.190 17.983 0.000 0.000
+ 3.190 18.748 0.000 0.000
+ 3.190 19.513 0.000 0.000
+ 3.190 20.278 0.000 0.000
+ 3.190 21.044 0.000 0.500
+ 3.190 21.809 0.000 0.000
+ 3.190 22.574 0.000 0.000
+ 3.190 23.339 0.000 0.500
+ 3.190 24.105 0.000 0.000
+ 3.190 24.870 0.000 0.500
+ 3.190 25.635 0.000 0.000
+ 3.190 26.400 0.000 0.000
+ 3.190 27.165 0.000 0.000
+ 3.190 27.931 0.000 0.000
+ 3.190 28.696 0.000 0.000
+ 3.190 29.461 0.000 0.167
+ 3.190 30.226 1.000 0.000
+ 3.190 30.992 0.000 0.000
+ 3.190 31.757 0.000 0.000
+ 3.190 32.522 0.000 0.333
+ 3.190 33.287 0.000 0.000
+ 3.190 34.052 0.000 0.000
+ 3.190 34.818 0.000 0.000
+ 3.190 35.583 0.000 0.000
+ 3.190 36.348 0.000 0.000
+ 3.190 37.113 0.000 0.000
+ 3.190 37.879 0.000 0.500
+ 3.770 0.383 0.000 0.000
+ 3.770 1.148 0.000 0.000
+ 3.770 1.913 0.000 0.000
+ 3.770 2.678 0.000 0.000
+ 3.770 3.444 0.000 0.000
+ 3.770 4.209 0.000 0.000
+ 3.770 4.974 0.000 0.000
+ 3.770 5.739 0.000 0.000
+ 3.770 6.504 0.000 0.000
+ 3.770 7.270 0.000 0.500
+ 3.770 8.035 0.667 0.000
+ 3.770 8.800 0.000 0.167
+ 3.770 9.565 0.000 0.000
+ 3.770 10.331 0.000 0.000
+ 3.770 11.096 0.000 0.000
+ 3.770 11.861 0.000 0.000
+ 3.770 12.626 0.000 0.167
+ 3.770 13.391 0.000 0.000
+ 3.770 14.157 0.000 0.000
+ 3.770 14.922 0.000 0.000
+ 3.770 15.687 0.000 0.167
+ 3.770 16.452 0.333 0.167
+ 3.770 17.218 0.000 0.333
+ 3.770 17.983 0.000 0.000
+ 3.770 18.748 0.000 0.000
+ 3.770 19.513 0.000 0.000
+ 3.770 20.278 0.000 0.000
+ 3.770 21.044 0.000 0.000
+ 3.770 21.809 1.000 0.000
+ 3.770 22.574 0.000 0.000
+ 3.770 23.339 0.000 0.000
+ 3.770 24.105 0.000 0.000
+ 3.770 24.870 0.000 0.000
+ 3.770 25.635 0.000 0.000
+ 3.770 26.400 0.000 0.000
+ 3.770 27.165 0.000 0.000
+ 3.770 27.931 0.000 0.000
+ 3.770 28.696 0.000 0.000
+ 3.770 29.461 0.000 0.167
+ 3.770 30.226 0.000 0.167
+ 3.770 30.992 0.000 0.000
+ 3.770 31.757 0.000 0.167
+ 3.770 32.522 0.000 0.167
+ 3.770 33.287 0.000 0.000
+ 3.770 34.052 0.000 0.000
+ 3.770 34.818 0.000 0.000
+ 3.770 35.583 0.000 0.000
+ 3.770 36.348 0.000 0.000
+ 3.770 37.113 0.000 0.000
+ 3.770 37.879 0.000 0.000
+ 4.350 0.383 0.000 0.000
+ 4.350 1.148 0.000 0.000
+ 4.350 1.913 0.000 0.000
+ 4.350 2.678 0.000 0.000
+ 4.350 3.444 0.000 0.000
+ 4.350 4.209 0.000 0.000
+ 4.350 4.974 0.000 0.000
+ 4.350 5.739 0.000 0.000
+ 4.350 6.504 0.000 0.000
+ 4.350 7.270 0.000 0.000
+ 4.350 8.035 0.333 0.000
+ 4.350 8.800 0.000 0.500
+ 4.350 9.565 0.000 0.000
+ 4.350 10.331 0.000 0.000
+ 4.350 11.096 0.000 0.000
+ 4.350 11.861 0.000 0.000
+ 4.350 12.626 0.000 0.167
+ 4.350 13.391 0.000 0.167
+ 4.350 14.157 0.000 0.000
+ 4.350 14.922 0.000 0.000
+ 4.350 15.687 0.000 0.000
+ 4.350 16.452 0.667 0.000
+ 4.350 17.218 0.000 0.000
+ 4.350 17.983 0.000 0.000
+ 4.350 18.748 0.000 0.000
+ 4.350 19.513 0.000 0.000
+ 4.350 20.278 0.000 0.000
+ 4.350 21.044 0.000 0.000
+ 4.350 21.809 0.000 0.000
+ 4.350 22.574 0.000 0.000
+ 4.350 23.339 0.000 0.000
+ 4.350 24.105 0.000 0.000
+ 4.350 24.870 0.000 0.000
+ 4.350 25.635 0.000 0.000
+ 4.350 26.400 0.000 0.000
+ 4.350 27.165 0.000 0.000
+ 4.350 27.931 0.000 0.000
+ 4.350 28.696 0.000 0.000
+ 4.350 29.461 0.000 0.167
+ 4.350 30.226 0.000 0.000
+ 4.350 30.992 0.000 0.000
+ 4.350 31.757 0.000 0.000
+ 4.350 32.522 0.000 0.000
+ 4.350 33.287 0.000 0.000
+ 4.350 34.052 0.000 0.000
+ 4.350 34.818 0.000 0.000
+ 4.350 35.583 0.000 0.000
+ 4.350 36.348 0.000 0.000
+ 4.350 37.113 0.000 0.000
+ 4.350 37.879 0.000 0.000
+ 4.930 0.383 0.000 0.000
+ 4.930 1.148 0.000 0.000
+ 4.930 1.913 0.000 0.000
+ 4.930 2.678 0.000 0.000
+ 4.930 3.444 0.000 0.000
+ 4.930 4.209 0.000 0.000
+ 4.930 4.974 0.000 0.000
+ 4.930 5.739 0.000 0.000
+ 4.930 6.504 0.000 0.167
+ 4.930 7.270 0.000 0.000
+ 4.930 8.035 0.000 0.000
+ 4.930 8.800 0.000 0.000
+ 4.930 9.565 0.000 0.000
+ 4.930 10.331 0.000 0.000
+ 4.930 11.096 0.000 0.000
+ 4.930 11.861 0.000 0.000
+ 4.930 12.626 0.000 0.000
+ 4.930 13.391 0.000 0.167
+ 4.930 14.157 0.000 0.000
+ 4.930 14.922 0.000 0.000
+ 4.930 15.687 0.000 0.000
+ 4.930 16.452 0.000 0.000
+ 4.930 17.218 0.000 0.000
+ 4.930 17.983 0.000 0.000
+ 4.930 18.748 0.000 0.000
+ 4.930 19.513 0.000 0.000
+ 4.930 20.278 0.000 0.000
+ 4.930 21.044 0.000 0.000
+ 4.930 21.809 0.000 0.500
+ 4.930 22.574 0.000 0.000
+ 4.930 23.339 0.000 0.000
+ 4.930 24.105 0.000 0.000
+ 4.930 24.870 0.000 0.000
+ 4.930 25.635 0.000 0.000
+ 4.930 26.400 0.000 0.000
+ 4.930 27.165 0.000 0.000
+ 4.930 27.931 0.000 0.000
+ 4.930 28.696 0.000 0.500
+ 4.930 29.461 0.000 0.000
+ 4.930 30.226 0.000 0.000
+ 4.930 30.992 0.000 0.000
+ 4.930 31.757 0.000 0.000
+ 4.930 32.522 0.000 0.000
+ 4.930 33.287 0.000 0.500
+ 4.930 34.052 0.000 0.000
+ 4.930 34.818 0.000 0.000
+ 4.930 35.583 0.000 0.000
+ 4.930 36.348 0.000 0.000
+ 4.930 37.113 0.000 0.000
+ 4.930 37.879 0.000 0.000
+ 5.510 0.383 0.000 0.000
+ 5.510 1.148 0.000 0.000
+ 5.510 1.913 0.000 0.000
+ 5.510 2.678 0.000 0.000
+ 5.510 3.444 0.000 0.000
+ 5.510 4.209 0.000 0.000
+ 5.510 4.974 0.000 0.000
+ 5.510 5.739 0.000 0.333
+ 5.510 6.504 0.000 0.167
+ 5.510 7.270 0.000 0.167
+ 5.510 8.035 0.000 0.000
+ 5.510 8.800 0.000 0.000
+ 5.510 9.565 0.000 0.000
+ 5.510 10.331 0.000 0.000
+ 5.510 11.096 0.000 0.000
+ 5.510 11.861 0.000 0.167
+ 5.510 12.626 0.333 0.000
+ 5.510 13.391 0.000 0.000
+ 5.510 14.157 0.000 0.000
+ 5.510 14.922 0.000 0.000
+ 5.510 15.687 0.000 0.000
+ 5.510 16.452 0.000 0.333
+ 5.510 17.218 0.000 0.000
+ 5.510 17.983 0.000 0.000
+ 5.510 18.748 0.000 0.000
+ 5.510 19.513 0.000 0.000
+ 5.510 20.278 0.000 0.000
+ 5.510 21.044 0.000 0.000
+ 5.510 21.809 0.000 0.000
+ 5.510 22.574 0.000 0.000
+ 5.510 23.339 0.000 0.000
+ 5.510 24.105 0.000 0.000
+ 5.510 24.870 0.000 0.000
+ 5.510 25.635 0.000 0.000
+ 5.510 26.400 0.000 0.000
+ 5.510 27.165 0.000 0.000
+ 5.510 27.931 0.000 0.000
+ 5.510 28.696 0.667 0.000
+ 5.510 29.461 0.333 0.000
+ 5.510 30.226 0.000 0.000
+ 5.510 30.992 0.000 0.000
+ 5.510 31.757 0.000 0.000
+ 5.510 32.522 0.000 0.000
+ 5.510 33.287 0.000 0.000
+ 5.510 34.052 0.000 0.000
+ 5.510 34.818 0.000 0.000
+ 5.510 35.583 0.000 0.000
+ 5.510 36.348 0.000 0.000
+ 5.510 37.113 0.000 0.000
+ 5.510 37.879 0.000 0.000
+ 6.090 0.383 0.000 0.000
+ 6.090 1.148 0.000 0.167
+ 6.090 1.913 0.000 0.000
+ 6.090 2.678 0.000 0.000
+ 6.090 3.444 0.000 0.000
+ 6.090 4.209 0.000 0.000
+ 6.090 4.974 0.000 0.000
+ 6.090 5.739 0.333 0.167
+ 6.090 6.504 0.667 0.000
+ 6.090 7.270 0.000 0.000
+ 6.090 8.035 0.000 0.000
+ 6.090 8.800 0.000 0.000
+ 6.090 9.565 0.000 0.000
+ 6.090 10.331 0.000 0.000
+ 6.090 11.096 0.000 0.000
+ 6.090 11.861 0.000 0.333
+ 6.090 12.626 0.000 0.000
+ 6.090 13.391 0.000 0.000
+ 6.090 14.157 0.000 0.000
+ 6.090 14.922 0.000 0.500
+ 6.090 15.687 0.000 0.000
+ 6.090 16.452 0.000 0.667
+ 6.090 17.218 0.000 0.000
+ 6.090 17.983 0.000 0.000
+ 6.090 18.748 0.000 0.000
+ 6.090 19.513 0.000 0.000
+ 6.090 20.278 0.000 0.000
+ 6.090 21.044 0.333 0.000
+ 6.090 21.809 0.000 0.000
+ 6.090 22.574 0.000 0.000
+ 6.090 23.339 0.000 0.000
+ 6.090 24.105 0.000 0.167
+ 6.090 24.870 0.333 0.000
+ 6.090 25.635 0.000 0.000
+ 6.090 26.400 0.000 0.000
+ 6.090 27.165 0.000 0.000
+ 6.090 27.931 0.000 0.500
+ 6.090 28.696 0.000 0.000
+ 6.090 29.461 0.000 0.500
+ 6.090 30.226 0.000 0.000
+ 6.090 30.992 0.000 0.000
+ 6.090 31.757 0.000 0.000
+ 6.090 32.522 0.000 0.000
+ 6.090 33.287 0.000 0.000
+ 6.090 34.052 0.333 0.000
+ 6.090 34.818 0.667 0.000
+ 6.090 35.583 0.000 0.000
+ 6.090 36.348 0.000 0.167
+ 6.090 37.113 0.000 0.000
+ 6.090 37.879 0.000 0.000
+ 6.670 0.383 0.000 0.333
+ 6.670 1.148 0.000 0.000
+ 6.670 1.913 0.000 0.000
+ 6.670 2.678 0.000 0.000
+ 6.670 3.444 0.000 0.000
+ 6.670 4.209 0.000 0.000
+ 6.670 4.974 0.000 0.167
+ 6.670 5.739 0.000 0.000
+ 6.670 6.504 0.000 0.000
+ 6.670 7.270 0.000 0.000
+ 6.670 8.035 0.000 0.000
+ 6.670 8.800 0.000 0.000
+ 6.670 9.565 0.000 0.000
+ 6.670 10.331 0.000 0.000
+ 6.670 11.096 0.000 0.000
+ 6.670 11.861 0.000 0.000
+ 6.670 12.626 0.000 0.333
+ 6.670 13.391 0.333 0.333
+ 6.670 14.157 0.000 0.000
+ 6.670 14.922 0.000 0.000
+ 6.670 15.687 0.000 0.000
+ 6.670 16.452 0.333 0.000
+ 6.670 17.218 0.667 0.000
+ 6.670 17.983 0.000 0.000
+ 6.670 18.748 0.000 0.000
+ 6.670 19.513 0.000 0.000
+ 6.670 20.278 0.000 0.333
+ 6.670 21.044 0.667 0.167
+ 6.670 21.809 0.000 0.500
+ 6.670 22.574 0.000 0.000
+ 6.670 23.339 0.000 0.000
+ 6.670 24.105 0.000 0.333
+ 6.670 24.870 0.667 0.000
+ 6.670 25.635 0.000 0.000
+ 6.670 26.400 0.000 0.000
+ 6.670 27.165 0.000 0.000
+ 6.670 27.931 0.000 0.000
+ 6.670 28.696 0.000 0.000
+ 6.670 29.461 0.000 0.000
+ 6.670 30.226 0.000 0.000
+ 6.670 30.992 0.000 0.000
+ 6.670 31.757 0.000 0.000
+ 6.670 32.522 0.000 0.000
+ 6.670 33.287 0.000 0.000
+ 6.670 34.052 0.000 0.167
+ 6.670 34.818 0.000 0.000
+ 6.670 35.583 0.000 0.000
+ 6.670 36.348 0.000 0.333
+ 6.670 37.113 0.000 0.000
+ 6.670 37.879 0.000 0.000
+ 7.250 0.383 0.000 0.500
+ 7.250 1.148 1.000 0.000
+ 7.250 1.913 0.000 0.000
+ 7.250 2.678 0.000 0.000
+ 7.250 3.444 0.000 0.000
+ 7.250 4.209 0.000 0.000
+ 7.250 4.974 0.000 0.167
+ 7.250 5.739 0.000 0.167
+ 7.250 6.504 0.000 0.000
+ 7.250 7.270 0.000 0.000
+ 7.250 8.035 0.000 0.000
+ 7.250 8.800 0.000 0.000
+ 7.250 9.565 0.000 0.333
+ 7.250 10.331 0.000 0.333
+ 7.250 11.096 0.000 0.000
+ 7.250 11.861 0.000 0.000
+ 7.250 12.626 0.000 0.167
+ 7.250 13.391 0.667 0.167
+ 7.250 14.157 0.000 0.000
+ 7.250 14.922 0.000 0.000
+ 7.250 15.687 0.000 0.000
+ 7.250 16.452 0.000 0.500
+ 7.250 17.218 0.000 0.000
+ 7.250 17.983 0.000 0.167
+ 7.250 18.748 0.000 0.000
+ 7.250 19.513 0.000 0.000
+ 7.250 20.278 0.000 0.167
+ 7.250 21.044 0.000 0.000
+ 7.250 21.809 0.000 0.000
+ 7.250 22.574 0.000 0.000
+ 7.250 23.339 0.000 0.000
+ 7.250 24.105 0.000 0.000
+ 7.250 24.870 0.000 0.500
+ 7.250 25.635 0.000 0.000
+ 7.250 26.400 0.000 0.000
+ 7.250 27.165 0.000 0.000
+ 7.250 27.931 0.000 0.000
+ 7.250 28.696 0.000 0.000
+ 7.250 29.461 0.000 0.000
+ 7.250 30.226 0.000 0.000
+ 7.250 30.992 0.000 0.000
+ 7.250 31.757 0.000 0.000
+ 7.250 32.522 0.000 0.000
+ 7.250 33.287 0.000 0.000
+ 7.250 34.052 0.000 0.500
+ 7.250 34.818 0.000 0.000
+ 7.250 35.583 0.000 0.000
+ 7.250 36.348 0.000 0.000
+ 7.250 37.113 0.000 0.000
+ 7.250 37.879 0.000 0.000
+ 7.830 0.383 0.000 0.000
+ 7.830 1.148 0.000 0.000
+ 7.830 1.913 0.000 0.000
+ 7.830 2.678 0.000 0.000
+ 7.830 3.444 0.000 0.000
+ 7.830 4.209 0.000 0.000
+ 7.830 4.974 0.000 0.000
+ 7.830 5.739 0.000 0.167
+ 7.830 6.504 0.000 0.000
+ 7.830 7.270 0.000 0.000
+ 7.830 8.035 0.000 0.000
+ 7.830 8.800 0.000 0.000
+ 7.830 9.565 0.000 0.000
+ 7.830 10.331 0.000 0.000
+ 7.830 11.096 0.000 0.000
+ 7.830 11.861 0.000 0.000
+ 7.830 12.626 0.000 0.000
+ 7.830 13.391 0.000 0.000
+ 7.830 14.157 0.000 0.000
+ 7.830 14.922 0.000 0.000
+ 7.830 15.687 0.000 0.000
+ 7.830 16.452 0.000 0.000
+ 7.830 17.218 0.000 0.000
+ 7.830 17.983 0.000 0.333
+ 7.830 18.748 0.667 0.000
+ 7.830 19.513 0.000 0.000
+ 7.830 20.278 0.000 0.000
+ 7.830 21.044 0.000 0.000
+ 7.830 21.809 0.000 0.000
+ 7.830 22.574 0.000 0.000
+ 7.830 23.339 0.000 0.000
+ 7.830 24.105 0.000 0.000
+ 7.830 24.870 0.000 0.000
+ 7.830 25.635 0.000 0.000
+ 7.830 26.400 0.000 0.000
+ 7.830 27.165 0.000 0.000
+ 7.830 27.931 0.000 0.000
+ 7.830 28.696 0.000 0.000
+ 7.830 29.461 0.000 0.000
+ 7.830 30.226 0.000 0.000
+ 7.830 30.992 0.000 0.000
+ 7.830 31.757 0.000 0.333
+ 7.830 32.522 0.000 0.000
+ 7.830 33.287 0.000 0.000
+ 7.830 34.052 0.000 0.000
+ 7.830 34.818 0.000 0.000
+ 7.830 35.583 0.000 0.000
+ 7.830 36.348 0.000 0.000
+ 7.830 37.113 0.000 0.000
+ 7.830 37.879 0.000 0.000
+ 8.410 0.383 0.000 0.000
+ 8.410 1.148 0.000 0.000
+ 8.410 1.913 0.000 0.000
+ 8.410 2.678 0.000 0.000
+ 8.410 3.444 0.000 0.000
+ 8.410 4.209 0.000 0.000
+ 8.410 4.974 0.000 0.500
+ 8.410 5.739 0.000 0.000
+ 8.410 6.504 0.000 0.000
+ 8.410 7.270 0.000 0.000
+ 8.410 8.035 0.000 0.000
+ 8.410 8.800 0.000 0.000
+ 8.410 9.565 0.000 0.000
+ 8.410 10.331 0.000 0.000
+ 8.410 11.096 0.000 0.000
+ 8.410 11.861 0.000 0.000
+ 8.410 12.626 0.000 0.000
+ 8.410 13.391 0.000 0.000
+ 8.410 14.157 0.000 0.333
+ 8.410 14.922 0.000 0.000
+ 8.410 15.687 0.000 0.000
+ 8.410 16.452 0.000 0.000
+ 8.410 17.218 0.000 0.000
+ 8.410 17.983 0.000 0.000
+ 8.410 18.748 0.333 0.000
+ 8.410 19.513 0.000 0.000
+ 8.410 20.278 0.000 0.000
+ 8.410 21.044 0.000 0.000
+ 8.410 21.809 0.000 0.000
+ 8.410 22.574 0.000 0.000
+ 8.410 23.339 0.000 0.000
+ 8.410 24.105 0.000 0.000
+ 8.410 24.870 0.000 0.000
+ 8.410 25.635 0.000 0.000
+ 8.410 26.400 0.000 0.000
+ 8.410 27.165 0.000 0.000
+ 8.410 27.931 0.000 0.000
+ 8.410 28.696 0.000 0.000
+ 8.410 29.461 0.000 0.000
+ 8.410 30.226 0.000 0.000
+ 8.410 30.992 0.000 0.000
+ 8.410 31.757 0.000 0.000
+ 8.410 32.522 0.000 0.167
+ 8.410 33.287 0.000 0.000
+ 8.410 34.052 1.000 0.000
+ 8.410 34.818 0.000 0.000
+ 8.410 35.583 0.000 0.000
+ 8.410 36.348 0.000 0.000
+ 8.410 37.113 0.000 0.000
+ 8.410 37.879 0.000 0.000
+ 8.990 0.383 0.000 0.000
+ 8.990 1.148 0.000 0.333
+ 8.990 1.913 0.000 0.167
+ 8.990 2.678 0.000 0.000
+ 8.990 3.444 0.000 0.000
+ 8.990 4.209 0.000 0.000
+ 8.990 4.974 0.000 0.000
+ 8.990 5.739 0.000 0.000
+ 8.990 6.504 0.000 0.167
+ 8.990 7.270 0.000 0.500
+ 8.990 8.035 0.000 0.000
+ 8.990 8.800 0.000 0.000
+ 8.990 9.565 1.000 0.167
+ 8.990 10.331 0.000 0.167
+ 8.990 11.096 0.000 0.000
+ 8.990 11.861 0.000 0.000
+ 8.990 12.626 0.000 0.000
+ 8.990 13.391 0.000 0.000
+ 8.990 14.157 0.000 0.000
+ 8.990 14.922 0.000 0.167
+ 8.990 15.687 0.000 0.000
+ 8.990 16.452 0.000 0.000
+ 8.990 17.218 0.000 0.000
+ 8.990 17.983 0.000 0.000
+ 8.990 18.748 0.000 0.500
+ 8.990 19.513 0.000 0.000
+ 8.990 20.278 0.000 0.000
+ 8.990 21.044 0.000 0.000
+ 8.990 21.809 0.000 0.000
+ 8.990 22.574 0.000 0.000
+ 8.990 23.339 0.000 0.000
+ 8.990 24.105 0.000 0.167
+ 8.990 24.870 0.000 0.000
+ 8.990 25.635 0.000 0.000
+ 8.990 26.400 0.000 0.000
+ 8.990 27.165 0.000 0.000
+ 8.990 27.931 0.000 0.167
+ 8.990 28.696 0.000 0.000
+ 8.990 29.461 0.000 0.000
+ 8.990 30.226 0.000 0.500
+ 8.990 30.992 0.000 0.000
+ 8.990 31.757 1.000 0.000
+ 8.990 32.522 0.000 0.000
+ 8.990 33.287 0.000 0.333
+ 8.990 34.052 0.000 0.167
+ 8.990 34.818 0.000 0.000
+ 8.990 35.583 0.000 0.000
+ 8.990 36.348 0.000 0.000
+ 8.990 37.113 0.000 0.000
+ 8.990 37.879 0.000 0.000
+ 9.570 0.383 0.000 0.000
+ 9.570 1.148 0.000 0.000
+ 9.570 1.913 0.000 0.000
+ 9.570 2.678 0.000 0.000
+ 9.570 3.444 0.000 0.000
+ 9.570 4.209 0.000 0.000
+ 9.570 4.974 0.000 0.000
+ 9.570 5.739 0.000 0.000
+ 9.570 6.504 0.333 0.000
+ 9.570 7.270 0.667 0.000
+ 9.570 8.035 0.000 0.333
+ 9.570 8.800 0.000 0.000
+ 9.570 9.565 0.000 0.000
+ 9.570 10.331 0.000 0.500
+ 9.570 11.096 0.000 0.000
+ 9.570 11.861 0.000 0.000
+ 9.570 12.626 0.000 0.000
+ 9.570 13.391 0.000 0.000
+ 9.570 14.157 0.000 0.000
+ 9.570 14.922 0.000 0.000
+ 9.570 15.687 0.000 0.000
+ 9.570 16.452 0.000 0.000
+ 9.570 17.218 0.000 0.000
+ 9.570 17.983 0.000 0.000
+ 9.570 18.748 0.000 0.000
+ 9.570 19.513 0.000 0.000
+ 9.570 20.278 0.000 0.000
+ 9.570 21.044 0.000 0.000
+ 9.570 21.809 0.000 0.000
+ 9.570 22.574 0.000 0.000
+ 9.570 23.339 0.000 0.000
+ 9.570 24.105 0.000 0.000
+ 9.570 24.870 0.000 0.000
+ 9.570 25.635 0.000 0.000
+ 9.570 26.400 0.000 0.167
+ 9.570 27.165 0.000 0.167
+ 9.570 27.931 0.000 0.167
+ 9.570 28.696 0.000 0.167
+ 9.570 29.461 0.000 0.000
+ 9.570 30.226 0.000 0.000
+ 9.570 30.992 0.000 0.000
+ 9.570 31.757 0.000 0.000
+ 9.570 32.522 0.000 0.000
+ 9.570 33.287 0.000 0.000
+ 9.570 34.052 0.000 0.000
+ 9.570 34.818 0.000 0.333
+ 9.570 35.583 0.000 0.000
+ 9.570 36.348 0.000 0.000
+ 9.570 37.113 0.000 0.000
+ 9.570 37.879 0.000 0.000
+ 10.150 0.383 0.000 0.000
+ 10.150 1.148 0.000 0.000
+ 10.150 1.913 0.000 0.000
+ 10.150 2.678 0.000 0.500
+ 10.150 3.444 0.000 0.000
+ 10.150 4.209 0.667 0.333
+ 10.150 4.974 0.000 0.167
+ 10.150 5.739 0.000 0.333
+ 10.150 6.504 0.000 0.000
+ 10.150 7.270 0.000 0.000
+ 10.150 8.035 0.000 0.000
+ 10.150 8.800 0.000 0.000
+ 10.150 9.565 0.000 0.000
+ 10.150 10.331 0.000 0.000
+ 10.150 11.096 0.000 0.000
+ 10.150 11.861 0.000 0.000
+ 10.150 12.626 0.000 0.000
+ 10.150 13.391 0.000 0.500
+ 10.150 14.157 0.000 0.000
+ 10.150 14.922 0.000 0.167
+ 10.150 15.687 0.000 0.333
+ 10.150 16.452 0.000 0.000
+ 10.150 17.218 0.000 0.000
+ 10.150 17.983 0.000 0.000
+ 10.150 18.748 0.333 0.000
+ 10.150 19.513 0.667 0.000
+ 10.150 20.278 0.000 0.000
+ 10.150 21.044 0.000 0.000
+ 10.150 21.809 0.000 0.000
+ 10.150 22.574 0.000 0.000
+ 10.150 23.339 0.000 0.167
+ 10.150 24.105 0.000 0.000
+ 10.150 24.870 0.000 0.000
+ 10.150 25.635 0.000 0.000
+ 10.150 26.400 0.000 0.167
+ 10.150 27.165 0.667 0.000
+ 10.150 27.931 0.000 0.000
+ 10.150 28.696 0.000 0.000
+ 10.150 29.461 0.000 0.000
+ 10.150 30.226 0.000 0.000
+ 10.150 30.992 0.000 0.000
+ 10.150 31.757 0.000 0.167
+ 10.150 32.522 0.000 0.000
+ 10.150 33.287 0.000 0.000
+ 10.150 34.052 0.000 0.000
+ 10.150 34.818 0.000 0.000
+ 10.150 35.583 0.000 0.000
+ 10.150 36.348 0.000 0.000
+ 10.150 37.113 0.000 0.000
+ 10.150 37.879 0.000 0.000
+ 10.730 0.383 0.000 0.000
+ 10.730 1.148 0.000 0.000
+ 10.730 1.913 0.000 0.000
+ 10.730 2.678 0.000 0.000
+ 10.730 3.444 0.000 0.000
+ 10.730 4.209 0.333 0.167
+ 10.730 4.974 0.000 0.000
+ 10.730 5.739 0.000 0.000
+ 10.730 6.504 0.000 0.000
+ 10.730 7.270 0.000 0.000
+ 10.730 8.035 0.000 0.000
+ 10.730 8.800 0.000 0.000
+ 10.730 9.565 0.000 0.000
+ 10.730 10.331 0.000 0.000
+ 10.730 11.096 0.000 0.000
+ 10.730 11.861 0.000 0.167
+ 10.730 12.626 0.000 0.167
+ 10.730 13.391 0.000 0.000
+ 10.730 14.157 0.000 0.000
+ 10.730 14.922 0.000 0.000
+ 10.730 15.687 1.000 0.000
+ 10.730 16.452 0.000 0.000
+ 10.730 17.218 0.000 0.000
+ 10.730 17.983 0.000 0.000
+ 10.730 18.748 0.000 0.333
+ 10.730 19.513 0.000 0.167
+ 10.730 20.278 0.000 0.333
+ 10.730 21.044 0.000 0.000
+ 10.730 21.809 0.000 0.333
+ 10.730 22.574 0.000 0.167
+ 10.730 23.339 0.000 0.333
+ 10.730 24.105 0.000 0.000
+ 10.730 24.870 0.000 0.000
+ 10.730 25.635 0.000 0.000
+ 10.730 26.400 0.000 0.000
+ 10.730 27.165 0.000 0.000
+ 10.730 27.931 0.000 0.000
+ 10.730 28.696 0.000 0.000
+ 10.730 29.461 0.000 0.000
+ 10.730 30.226 0.000 0.000
+ 10.730 30.992 0.000 0.000
+ 10.730 31.757 0.000 0.333
+ 10.730 32.522 0.000 0.000
+ 10.730 33.287 0.000 0.000
+ 10.730 34.052 0.000 0.000
+ 10.730 34.818 0.333 0.000
+ 10.730 35.583 0.000 0.000
+ 10.730 36.348 0.000 0.000
+ 10.730 37.113 0.000 0.000
+ 10.730 37.879 0.000 0.000
+ 11.310 0.383 0.000 0.000
+ 11.310 1.148 0.000 0.000
+ 11.310 1.913 0.000 0.000
+ 11.310 2.678 0.000 0.000
+ 11.310 3.444 0.000 0.000
+ 11.310 4.209 0.000 0.000
+ 11.310 4.974 0.000 0.000
+ 11.310 5.739 0.000 0.000
+ 11.310 6.504 0.000 0.000
+ 11.310 7.270 0.000 0.500
+ 11.310 8.035 0.000 0.000
+ 11.310 8.800 0.000 0.000
+ 11.310 9.565 0.000 0.000
+ 11.310 10.331 0.000 0.000
+ 11.310 11.096 0.000 0.000
+ 11.310 11.861 0.000 0.000
+ 11.310 12.626 0.000 0.167
+ 11.310 13.391 0.000 0.000
+ 11.310 14.157 0.000 0.333
+ 11.310 14.922 0.000 0.167
+ 11.310 15.687 0.000 0.000
+ 11.310 16.452 0.000 0.000
+ 11.310 17.218 0.000 0.000
+ 11.310 17.983 0.000 0.000
+ 11.310 18.748 0.000 0.000
+ 11.310 19.513 0.000 0.167
+ 11.310 20.278 0.000 0.000
+ 11.310 21.044 0.667 0.000
+ 11.310 21.809 0.333 0.000
+ 11.310 22.574 0.000 0.000
+ 11.310 23.339 0.000 0.000
+ 11.310 24.105 0.000 0.000
+ 11.310 24.870 0.000 0.000
+ 11.310 25.635 0.000 0.000
+ 11.310 26.400 0.000 0.000
+ 11.310 27.165 0.000 0.167
+ 11.310 27.931 0.000 0.167
+ 11.310 28.696 0.000 0.000
+ 11.310 29.461 0.000 0.000
+ 11.310 30.226 0.000 0.000
+ 11.310 30.992 0.000 0.000
+ 11.310 31.757 0.000 0.000
+ 11.310 32.522 0.000 0.000
+ 11.310 33.287 0.000 0.500
+ 11.310 34.052 0.000 0.000
+ 11.310 34.818 0.000 0.000
+ 11.310 35.583 0.000 0.667
+ 11.310 36.348 0.000 0.000
+ 11.310 37.113 0.000 0.000
+ 11.310 37.879 0.000 0.000
+ 11.890 0.383 0.000 0.000
+ 11.890 1.148 0.000 0.000
+ 11.890 1.913 0.000 0.000
+ 11.890 2.678 0.000 0.000
+ 11.890 3.444 0.000 0.000
+ 11.890 4.209 0.000 0.000
+ 11.890 4.974 0.000 0.000
+ 11.890 5.739 0.000 0.000
+ 11.890 6.504 0.000 0.000
+ 11.890 7.270 0.000 0.000
+ 11.890 8.035 0.333 0.500
+ 11.890 8.800 0.000 0.000
+ 11.890 9.565 0.000 0.000
+ 11.890 10.331 0.000 0.000
+ 11.890 11.096 0.000 0.000
+ 11.890 11.861 0.000 0.000
+ 11.890 12.626 0.000 0.000
+ 11.890 13.391 1.000 0.000
+ 11.890 14.157 0.000 0.000
+ 11.890 14.922 0.000 0.000
+ 11.890 15.687 0.000 0.000
+ 11.890 16.452 0.000 0.000
+ 11.890 17.218 0.000 0.000
+ 11.890 17.983 0.000 0.333
+ 11.890 18.748 0.000 0.167
+ 11.890 19.513 0.000 0.000
+ 11.890 20.278 0.000 0.000
+ 11.890 21.044 0.000 0.000
+ 11.890 21.809 0.000 0.333
+ 11.890 22.574 0.000 0.000
+ 11.890 23.339 0.000 0.000
+ 11.890 24.105 1.000 0.500
+ 11.890 24.870 0.000 0.000
+ 11.890 25.635 0.000 0.000
+ 11.890 26.400 0.000 0.000
+ 11.890 27.165 0.000 0.167
+ 11.890 27.931 0.000 0.167
+ 11.890 28.696 0.000 0.167
+ 11.890 29.461 0.000 0.000
+ 11.890 30.226 0.000 0.000
+ 11.890 30.992 0.000 0.000
+ 11.890 31.757 0.000 0.167
+ 11.890 32.522 0.000 0.000
+ 11.890 33.287 0.000 0.000
+ 11.890 34.052 0.000 0.000
+ 11.890 34.818 0.000 0.000
+ 11.890 35.583 0.667 0.167
+ 11.890 36.348 0.000 0.000
+ 11.890 37.113 0.000 0.000
+ 11.890 37.879 0.000 0.000
+ 12.470 0.383 0.000 0.000
+ 12.470 1.148 0.000 0.000
+ 12.470 1.913 0.000 0.333
+ 12.470 2.678 0.000 0.000
+ 12.470 3.444 0.000 0.167
+ 12.470 4.209 0.000 0.333
+ 12.470 4.974 0.000 0.000
+ 12.470 5.739 0.000 0.000
+ 12.470 6.504 0.000 0.000
+ 12.470 7.270 0.000 0.000
+ 12.470 8.035 0.667 0.000
+ 12.470 8.800 0.000 0.000
+ 12.470 9.565 0.000 0.000
+ 12.470 10.331 0.000 0.000
+ 12.470 11.096 0.000 0.000
+ 12.470 11.861 0.000 0.000
+ 12.470 12.626 0.000 0.000
+ 12.470 13.391 0.000 0.000
+ 12.470 14.157 0.000 0.000
+ 12.470 14.922 0.000 0.000
+ 12.470 15.687 0.000 0.000
+ 12.470 16.452 0.000 0.000
+ 12.470 17.218 0.000 0.000
+ 12.470 17.983 0.000 0.000
+ 12.470 18.748 0.000 0.000
+ 12.470 19.513 0.000 0.000
+ 12.470 20.278 0.000 0.000
+ 12.470 21.044 0.000 0.000
+ 12.470 21.809 0.000 0.167
+ 12.470 22.574 0.000 0.000
+ 12.470 23.339 0.000 0.000
+ 12.470 24.105 0.000 0.000
+ 12.470 24.870 0.000 0.333
+ 12.470 25.635 0.000 0.000
+ 12.470 26.400 0.000 0.000
+ 12.470 27.165 0.000 0.000
+ 12.470 27.931 0.000 0.000
+ 12.470 28.696 0.000 0.000
+ 12.470 29.461 0.000 0.000
+ 12.470 30.226 0.000 0.000
+ 12.470 30.992 1.000 0.500
+ 12.470 31.757 0.000 0.333
+ 12.470 32.522 0.000 0.000
+ 12.470 33.287 0.000 0.000
+ 12.470 34.052 0.000 0.000
+ 12.470 34.818 0.000 0.000
+ 12.470 35.583 0.000 0.000
+ 12.470 36.348 0.000 0.167
+ 12.470 37.113 0.000 0.333
+ 12.470 37.879 0.000 0.333
+ 13.050 0.383 0.000 0.000
+ 13.050 1.148 0.000 0.000
+ 13.050 1.913 0.000 0.167
+ 13.050 2.678 0.000 0.000
+ 13.050 3.444 0.000 0.000
+ 13.050 4.209 0.000 0.000
+ 13.050 4.974 0.000 0.000
+ 13.050 5.739 0.000 0.000
+ 13.050 6.504 0.000 0.000
+ 13.050 7.270 0.000 0.000
+ 13.050 8.035 0.000 0.000
+ 13.050 8.800 0.000 0.000
+ 13.050 9.565 0.000 0.000
+ 13.050 10.331 0.000 0.000
+ 13.050 11.096 0.000 0.000
+ 13.050 11.861 0.000 0.000
+ 13.050 12.626 0.000 0.167
+ 13.050 13.391 0.000 0.333
+ 13.050 14.157 0.000 0.000
+ 13.050 14.922 0.000 0.000
+ 13.050 15.687 0.000 0.000
+ 13.050 16.452 0.000 0.000
+ 13.050 17.218 0.000 0.000
+ 13.050 17.983 0.000 0.000
+ 13.050 18.748 0.000 0.000
+ 13.050 19.513 0.000 0.000
+ 13.050 20.278 0.000 0.000
+ 13.050 21.044 0.000 0.000
+ 13.050 21.809 0.000 0.000
+ 13.050 22.574 0.000 0.000
+ 13.050 23.339 0.000 0.000
+ 13.050 24.105 0.000 0.167
+ 13.050 24.870 0.000 0.000
+ 13.050 25.635 0.000 0.000
+ 13.050 26.400 0.000 0.000
+ 13.050 27.165 0.000 0.000
+ 13.050 27.931 0.000 0.000
+ 13.050 28.696 0.000 0.000
+ 13.050 29.461 0.000 0.000
+ 13.050 30.226 0.000 0.000
+ 13.050 30.992 0.000 0.000
+ 13.050 31.757 0.000 0.000
+ 13.050 32.522 0.000 0.000
+ 13.050 33.287 0.000 0.000
+ 13.050 34.052 0.000 0.000
+ 13.050 34.818 0.000 0.000
+ 13.050 35.583 0.000 0.000
+ 13.050 36.348 0.000 0.000
+ 13.050 37.113 0.000 0.000
+ 13.050 37.879 0.000 0.000
+ 13.630 0.383 0.000 0.000
+ 13.630 1.148 0.000 0.000
+ 13.630 1.913 0.000 0.000
+ 13.630 2.678 0.000 0.000
+ 13.630 3.444 0.000 0.000
+ 13.630 4.209 0.000 0.000
+ 13.630 4.974 0.000 0.000
+ 13.630 5.739 0.000 0.167
+ 13.630 6.504 0.000 0.333
+ 13.630 7.270 0.000 0.167
+ 13.630 8.035 0.000 0.000
+ 13.630 8.800 0.000 0.500
+ 13.630 9.565 0.000 0.000
+ 13.630 10.331 0.000 0.333
+ 13.630 11.096 0.000 0.167
+ 13.630 11.861 0.000 0.000
+ 13.630 12.626 0.000 0.000
+ 13.630 13.391 0.000 0.000
+ 13.630 14.157 0.000 0.000
+ 13.630 14.922 0.000 0.000
+ 13.630 15.687 0.000 0.000
+ 13.630 16.452 0.000 0.000
+ 13.630 17.218 0.000 0.000
+ 13.630 17.983 0.000 0.000
+ 13.630 18.748 0.000 0.333
+ 13.630 19.513 0.000 0.167
+ 13.630 20.278 0.000 0.000
+ 13.630 21.044 0.000 0.000
+ 13.630 21.809 0.000 0.333
+ 13.630 22.574 0.000 0.000
+ 13.630 23.339 0.000 0.000
+ 13.630 24.105 0.000 0.000
+ 13.630 24.870 0.000 0.000
+ 13.630 25.635 0.000 0.000
+ 13.630 26.400 0.000 0.000
+ 13.630 27.165 0.000 0.000
+ 13.630 27.931 0.000 0.000
+ 13.630 28.696 0.000 0.000
+ 13.630 29.461 0.000 0.167
+ 13.630 30.226 0.000 0.000
+ 13.630 30.992 0.000 0.000
+ 13.630 31.757 0.000 0.000
+ 13.630 32.522 0.000 0.000
+ 13.630 33.287 0.000 0.000
+ 13.630 34.052 0.000 0.000
+ 13.630 34.818 0.000 0.000
+ 13.630 35.583 0.000 0.167
+ 13.630 36.348 0.000 0.500
+ 13.630 37.113 0.000 0.000
+ 13.630 37.879 0.000 0.000
+ 14.210 0.383 0.000 0.000
+ 14.210 1.148 0.000 0.000
+ 14.210 1.913 0.000 0.000
+ 14.210 2.678 0.000 0.000
+ 14.210 3.444 0.000 0.000
+ 14.210 4.209 0.000 0.000
+ 14.210 4.974 0.000 0.167
+ 14.210 5.739 0.667 0.167
+ 14.210 6.504 0.333 0.000
+ 14.210 7.270 0.000 0.000
+ 14.210 8.035 0.000 0.000
+ 14.210 8.800 0.000 0.000
+ 14.210 9.565 1.000 0.000
+ 14.210 10.331 0.000 0.000
+ 14.210 11.096 0.000 0.000
+ 14.210 11.861 0.000 0.000
+ 14.210 12.626 0.000 0.000
+ 14.210 13.391 0.333 0.000
+ 14.210 14.157 0.667 0.000
+ 14.210 14.922 0.000 0.000
+ 14.210 15.687 0.000 0.000
+ 14.210 16.452 0.000 0.000
+ 14.210 17.218 0.000 0.000
+ 14.210 17.983 0.000 0.000
+ 14.210 18.748 0.000 0.000
+ 14.210 19.513 0.000 0.000
+ 14.210 20.278 0.000 0.000
+ 14.210 21.044 0.000 0.000
+ 14.210 21.809 0.000 0.167
+ 14.210 22.574 0.000 0.333
+ 14.210 23.339 0.000 0.167
+ 14.210 24.105 0.000 0.000
+ 14.210 24.870 0.000 0.000
+ 14.210 25.635 0.000 0.000
+ 14.210 26.400 0.000 0.000
+ 14.210 27.165 0.000 0.000
+ 14.210 27.931 0.000 0.500
+ 14.210 28.696 0.000 0.000
+ 14.210 29.461 0.000 0.333
+ 14.210 30.226 0.000 0.000
+ 14.210 30.992 0.000 0.000
+ 14.210 31.757 0.000 0.000
+ 14.210 32.522 0.000 0.000
+ 14.210 33.287 0.000 0.000
+ 14.210 34.052 0.000 0.000
+ 14.210 34.818 0.000 0.000
+ 14.210 35.583 0.000 0.000
+ 14.210 36.348 0.000 0.000
+ 14.210 37.113 0.000 0.000
+ 14.210 37.879 0.000 0.000
+ 14.790 0.383 0.000 0.000
+ 14.790 1.148 0.000 0.000
+ 14.790 1.913 0.000 0.000
+ 14.790 2.678 0.000 1.000
+ 14.790 3.444 0.000 0.000
+ 14.790 4.209 0.000 0.000
+ 14.790 4.974 0.000 0.000
+ 14.790 5.739 0.000 0.000
+ 14.790 6.504 0.000 0.000
+ 14.790 7.270 0.000 0.000
+ 14.790 8.035 0.000 0.000
+ 14.790 8.800 0.000 0.000
+ 14.790 9.565 0.000 0.500
+ 14.790 10.331 0.000 0.000
+ 14.790 11.096 0.000 0.000
+ 14.790 11.861 0.000 0.000
+ 14.790 12.626 0.000 0.000
+ 14.790 13.391 0.000 0.000
+ 14.790 14.157 0.000 0.500
+ 14.790 14.922 0.000 0.000
+ 14.790 15.687 0.000 0.000
+ 14.790 16.452 0.000 0.000
+ 14.790 17.218 0.000 0.000
+ 14.790 17.983 0.000 0.000
+ 14.790 18.748 0.000 0.000
+ 14.790 19.513 0.000 0.000
+ 14.790 20.278 0.000 0.500
+ 14.790 21.044 0.000 0.333
+ 14.790 21.809 0.000 0.000
+ 14.790 22.574 0.000 0.000
+ 14.790 23.339 0.000 0.000
+ 14.790 24.105 0.000 0.000
+ 14.790 24.870 0.000 0.000
+ 14.790 25.635 0.000 0.500
+ 14.790 26.400 0.000 0.000
+ 14.790 27.165 0.000 0.000
+ 14.790 27.931 0.000 0.000
+ 14.790 28.696 0.667 0.000
+ 14.790 29.461 0.000 0.000
+ 14.790 30.226 0.000 0.000
+ 14.790 30.992 0.000 0.000
+ 14.790 31.757 0.000 0.000
+ 14.790 32.522 0.000 0.000
+ 14.790 33.287 0.000 0.000
+ 14.790 34.052 0.000 0.000
+ 14.790 34.818 0.000 0.000
+ 14.790 35.583 0.000 0.333
+ 14.790 36.348 1.000 0.000
+ 14.790 37.113 0.000 0.000
+ 14.790 37.879 0.000 0.000
+ 15.370 0.383 0.000 0.000
+ 15.370 1.148 0.000 0.000
+ 15.370 1.913 0.000 0.000
+ 15.370 2.678 1.000 0.000
+ 15.370 3.444 0.000 0.000
+ 15.370 4.209 0.000 0.000
+ 15.370 4.974 0.000 0.000
+ 15.370 5.739 0.000 0.000
+ 15.370 6.504 0.000 0.000
+ 15.370 7.270 0.000 0.000
+ 15.370 8.035 0.000 0.000
+ 15.370 8.800 0.000 0.000
+ 15.370 9.565 0.000 0.000
+ 15.370 10.331 0.000 0.000
+ 15.370 11.096 0.000 0.000
+ 15.370 11.861 0.000 0.000
+ 15.370 12.626 0.000 0.000
+ 15.370 13.391 0.000 0.500
+ 15.370 14.157 0.000 0.000
+ 15.370 14.922 0.000 0.000
+ 15.370 15.687 0.000 0.000
+ 15.370 16.452 0.000 0.500
+ 15.370 17.218 0.000 0.000
+ 15.370 17.983 0.000 0.000
+ 15.370 18.748 0.000 0.000
+ 15.370 19.513 0.000 0.000
+ 15.370 20.278 0.000 0.000
+ 15.370 21.044 0.000 0.000
+ 15.370 21.809 0.000 0.000
+ 15.370 22.574 0.000 0.000
+ 15.370 23.339 0.000 0.000
+ 15.370 24.105 0.000 0.000
+ 15.370 24.870 0.000 0.000
+ 15.370 25.635 0.000 0.167
+ 15.370 26.400 0.000 0.000
+ 15.370 27.165 0.000 0.000
+ 15.370 27.931 0.000 0.000
+ 15.370 28.696 0.000 0.000
+ 15.370 29.461 0.000 0.000
+ 15.370 30.226 0.000 0.000
+ 15.370 30.992 0.000 0.000
+ 15.370 31.757 0.000 0.000
+ 15.370 32.522 0.000 0.000
+ 15.370 33.287 0.000 0.000
+ 15.370 34.052 0.000 0.000
+ 15.370 34.818 0.000 0.167
+ 15.370 35.583 0.000 0.500
+ 15.370 36.348 0.000 0.000
+ 15.370 37.113 0.000 0.000
+ 15.370 37.879 0.000 0.000
+ 15.950 0.383 0.000 0.000
+ 15.950 1.148 0.000 0.333
+ 15.950 1.913 0.000 0.000
+ 15.950 2.678 0.000 0.000
+ 15.950 3.444 0.000 0.000
+ 15.950 4.209 0.000 0.000
+ 15.950 4.974 0.000 0.000
+ 15.950 5.739 0.000 0.500
+ 15.950 6.504 0.000 0.000
+ 15.950 7.270 0.000 0.000
+ 15.950 8.035 0.000 0.000
+ 15.950 8.800 0.000 0.000
+ 15.950 9.565 0.000 0.000
+ 15.950 10.331 0.000 0.000
+ 15.950 11.096 0.000 0.000
+ 15.950 11.861 0.000 0.000
+ 15.950 12.626 0.000 0.000
+ 15.950 13.391 0.000 0.000
+ 15.950 14.157 0.000 0.000
+ 15.950 14.922 0.000 0.000
+ 15.950 15.687 0.000 0.000
+ 15.950 16.452 0.000 0.000
+ 15.950 17.218 0.333 0.000
+ 15.950 17.983 0.000 0.500
+ 15.950 18.748 0.000 0.000
+ 15.950 19.513 0.000 0.000
+ 15.950 20.278 0.000 0.000
+ 15.950 21.044 0.000 0.000
+ 15.950 21.809 0.000 0.000
+ 15.950 22.574 0.000 0.000
+ 15.950 23.339 0.000 0.000
+ 15.950 24.105 0.000 0.000
+ 15.950 24.870 0.000 0.000
+ 15.950 25.635 0.333 0.333
+ 15.950 26.400 0.000 0.000
+ 15.950 27.165 0.000 0.000
+ 15.950 27.931 0.000 0.000
+ 15.950 28.696 0.000 0.000
+ 15.950 29.461 0.000 0.000
+ 15.950 30.226 0.000 0.000
+ 15.950 30.992 0.000 0.000
+ 15.950 31.757 0.000 0.000
+ 15.950 32.522 0.000 0.000
+ 15.950 33.287 0.000 0.000
+ 15.950 34.052 0.000 0.000
+ 15.950 34.818 0.000 0.000
+ 15.950 35.583 0.000 0.000
+ 15.950 36.348 0.000 0.000
+ 15.950 37.113 0.000 0.000
+ 15.950 37.879 0.000 0.500
+ 16.530 0.383 1.000 0.000
+ 16.530 1.148 0.000 0.167
+ 16.530 1.913 0.000 0.000
+ 16.530 2.678 0.000 0.000
+ 16.530 3.444 0.000 0.000
+ 16.530 4.209 0.000 0.000
+ 16.530 4.974 0.000 0.000
+ 16.530 5.739 0.667 0.000
+ 16.530 6.504 0.333 0.000
+ 16.530 7.270 0.000 0.000
+ 16.530 8.035 0.000 0.000
+ 16.530 8.800 0.000 0.000
+ 16.530 9.565 0.000 0.000
+ 16.530 10.331 0.000 0.000
+ 16.530 11.096 0.000 0.000
+ 16.530 11.861 0.000 0.000
+ 16.530 12.626 0.000 0.000
+ 16.530 13.391 0.000 0.000
+ 16.530 14.157 0.000 0.000
+ 16.530 14.922 0.000 0.000
+ 16.530 15.687 0.000 0.000
+ 16.530 16.452 0.000 0.167
+ 16.530 17.218 0.667 0.333
+ 16.530 17.983 0.000 0.000
+ 16.530 18.748 0.000 0.000
+ 16.530 19.513 0.000 0.000
+ 16.530 20.278 0.000 0.000
+ 16.530 21.044 0.000 0.000
+ 16.530 21.809 0.000 0.000
+ 16.530 22.574 0.000 0.000
+ 16.530 23.339 0.000 0.000
+ 16.530 24.105 0.000 0.000
+ 16.530 24.870 0.000 0.000
+ 16.530 25.635 0.667 0.000
+ 16.530 26.400 0.000 0.000
+ 16.530 27.165 0.000 0.167
+ 16.530 27.931 0.000 0.000
+ 16.530 28.696 0.000 0.167
+ 16.530 29.461 0.000 0.333
+ 16.530 30.226 0.000 0.000
+ 16.530 30.992 0.000 0.000
+ 16.530 31.757 0.000 0.667
+ 16.530 32.522 1.000 0.000
+ 16.530 33.287 0.000 0.000
+ 16.530 34.052 0.000 0.333
+ 16.530 34.818 0.000 0.000
+ 16.530 35.583 0.000 0.000
+ 16.530 36.348 0.000 0.000
+ 16.530 37.113 0.000 0.000
+ 16.530 37.879 0.000 0.000
+ 17.110 0.383 0.000 0.000
+ 17.110 1.148 0.000 0.000
+ 17.110 1.913 0.000 0.000
+ 17.110 2.678 0.000 0.167
+ 17.110 3.444 0.000 0.333
+ 17.110 4.209 0.000 0.000
+ 17.110 4.974 0.000 0.167
+ 17.110 5.739 0.000 0.000
+ 17.110 6.504 0.000 0.000
+ 17.110 7.270 0.000 0.500
+ 17.110 8.035 0.000 0.000
+ 17.110 8.800 1.000 0.000
+ 17.110 9.565 0.000 0.500
+ 17.110 10.331 0.000 0.000
+ 17.110 11.096 0.000 0.000
+ 17.110 11.861 0.000 0.000
+ 17.110 12.626 0.000 0.000
+ 17.110 13.391 0.000 0.000
+ 17.110 14.157 0.000 0.000
+ 17.110 14.922 0.000 0.333
+ 17.110 15.687 0.000 0.000
+ 17.110 16.452 0.000 0.000
+ 17.110 17.218 0.000 0.000
+ 17.110 17.983 0.000 0.000
+ 17.110 18.748 0.000 0.000
+ 17.110 19.513 0.000 0.000
+ 17.110 20.278 0.000 0.167
+ 17.110 21.044 0.000 0.500
+ 17.110 21.809 0.000 0.000
+ 17.110 22.574 0.000 0.000
+ 17.110 23.339 0.000 0.000
+ 17.110 24.105 0.000 0.000
+ 17.110 24.870 0.000 0.500
+ 17.110 25.635 0.000 0.000
+ 17.110 26.400 0.000 0.333
+ 17.110 27.165 0.000 0.000
+ 17.110 27.931 0.000 0.000
+ 17.110 28.696 0.000 0.000
+ 17.110 29.461 1.000 0.000
+ 17.110 30.226 0.000 0.000
+ 17.110 30.992 0.000 0.000
+ 17.110 31.757 0.000 0.000
+ 17.110 32.522 0.000 0.167
+ 17.110 33.287 0.000 0.000
+ 17.110 34.052 0.000 0.000
+ 17.110 34.818 0.000 0.333
+ 17.110 35.583 0.000 0.000
+ 17.110 36.348 0.000 0.000
+ 17.110 37.113 0.000 0.000
+ 17.110 37.879 0.000 0.000
+ 17.690 0.383 0.000 0.000
+ 17.690 1.148 0.000 0.000
+ 17.690 1.913 0.000 0.000
+ 17.690 2.678 0.000 0.000
+ 17.690 3.444 0.667 0.000
+ 17.690 4.209 0.000 0.333
+ 17.690 4.974 0.000 0.000
+ 17.690 5.739 0.000 0.000
+ 17.690 6.504 0.000 0.000
+ 17.690 7.270 0.000 0.000
+ 17.690 8.035 0.000 0.000
+ 17.690 8.800 0.000 0.167
+ 17.690 9.565 0.000 0.000
+ 17.690 10.331 0.000 0.000
+ 17.690 11.096 0.000 0.000
+ 17.690 11.861 0.000 0.000
+ 17.690 12.626 0.000 0.000
+ 17.690 13.391 0.000 0.000
+ 17.690 14.157 1.000 0.000
+ 17.690 14.922 0.000 0.167
+ 17.690 15.687 0.000 0.000
+ 17.690 16.452 0.000 0.500
+ 17.690 17.218 0.000 0.000
+ 17.690 17.983 0.000 0.000
+ 17.690 18.748 0.000 0.000
+ 17.690 19.513 0.000 0.000
+ 17.690 20.278 0.000 0.000
+ 17.690 21.044 0.000 0.000
+ 17.690 21.809 0.000 0.000
+ 17.690 22.574 0.000 0.000
+ 17.690 23.339 0.000 0.000
+ 17.690 24.105 0.000 0.000
+ 17.690 24.870 0.000 0.000
+ 17.690 25.635 0.000 0.000
+ 17.690 26.400 0.000 0.000
+ 17.690 27.165 0.000 0.000
+ 17.690 27.931 0.000 0.000
+ 17.690 28.696 0.000 0.500
+ 17.690 29.461 0.000 0.167
+ 17.690 30.226 0.000 0.333
+ 17.690 30.992 0.000 0.000
+ 17.690 31.757 0.333 0.000
+ 17.690 32.522 0.000 0.000
+ 17.690 33.287 0.000 0.000
+ 17.690 34.052 0.000 0.000
+ 17.690 34.818 0.000 0.167
+ 17.690 35.583 0.000 0.333
+ 17.690 36.348 0.000 0.000
+ 17.690 37.113 0.000 0.500
+ 17.690 37.879 0.000 0.000
+ 18.270 0.383 0.000 0.500
+ 18.270 1.148 0.000 0.000
+ 18.270 1.913 0.000 0.167
+ 18.270 2.678 0.000 0.000
+ 18.270 3.444 0.333 0.000
+ 18.270 4.209 0.000 0.167
+ 18.270 4.974 0.000 0.000
+ 18.270 5.739 0.000 0.000
+ 18.270 6.504 0.000 0.000
+ 18.270 7.270 0.000 0.000
+ 18.270 8.035 0.000 0.000
+ 18.270 8.800 0.000 0.333
+ 18.270 9.565 0.000 0.000
+ 18.270 10.331 0.000 0.000
+ 18.270 11.096 0.000 0.000
+ 18.270 11.861 0.000 0.000
+ 18.270 12.626 0.000 0.000
+ 18.270 13.391 0.000 0.000
+ 18.270 14.157 0.000 0.333
+ 18.270 14.922 0.000 0.000
+ 18.270 15.687 0.000 0.000
+ 18.270 16.452 0.000 0.000
+ 18.270 17.218 0.000 0.000
+ 18.270 17.983 0.000 0.000
+ 18.270 18.748 0.000 0.000
+ 18.270 19.513 0.000 0.000
+ 18.270 20.278 0.000 0.000
+ 18.270 21.044 0.333 0.000
+ 18.270 21.809 0.000 0.000
+ 18.270 22.574 0.000 0.000
+ 18.270 23.339 0.000 0.167
+ 18.270 24.105 0.000 0.500
+ 18.270 24.870 0.000 0.000
+ 18.270 25.635 0.000 0.000
+ 18.270 26.400 0.000 0.000
+ 18.270 27.165 0.000 0.000
+ 18.270 27.931 0.000 0.000
+ 18.270 28.696 0.000 0.000
+ 18.270 29.461 0.000 0.000
+ 18.270 30.226 0.000 0.000
+ 18.270 30.992 0.000 0.000
+ 18.270 31.757 0.000 0.000
+ 18.270 32.522 0.000 0.000
+ 18.270 33.287 0.000 0.000
+ 18.270 34.052 0.000 0.000
+ 18.270 34.818 0.000 0.000
+ 18.270 35.583 0.000 0.000
+ 18.270 36.348 1.000 0.167
+ 18.270 37.113 0.000 0.000
+ 18.270 37.879 0.000 0.000
+ 18.850 0.383 0.000 0.000
+ 18.850 1.148 1.000 0.000
+ 18.850 1.913 0.000 0.333
+ 18.850 2.678 0.000 0.000
+ 18.850 3.444 0.000 0.000
+ 18.850 4.209 0.000 0.000
+ 18.850 4.974 0.000 0.000
+ 18.850 5.739 0.000 0.000
+ 18.850 6.504 0.000 0.000
+ 18.850 7.270 0.000 0.000
+ 18.850 8.035 0.000 0.000
+ 18.850 8.800 0.000 0.000
+ 18.850 9.565 0.000 0.000
+ 18.850 10.331 0.000 0.000
+ 18.850 11.096 0.000 0.000
+ 18.850 11.861 0.000 0.000
+ 18.850 12.626 0.000 0.000
+ 18.850 13.391 0.000 0.000
+ 18.850 14.157 0.000 0.333
+ 18.850 14.922 0.000 0.000
+ 18.850 15.687 0.000 0.000
+ 18.850 16.452 0.000 0.000
+ 18.850 17.218 0.000 0.000
+ 18.850 17.983 0.000 0.000
+ 18.850 18.748 0.000 0.000
+ 18.850 19.513 0.000 0.167
+ 18.850 20.278 0.000 0.000
+ 18.850 21.044 0.667 0.000
+ 18.850 21.809 0.000 0.333
+ 18.850 22.574 0.000 0.000
+ 18.850 23.339 0.000 0.333
+ 18.850 24.105 0.000 0.000
+ 18.850 24.870 0.000 0.000
+ 18.850 25.635 0.000 0.000
+ 18.850 26.400 0.000 0.000
+ 18.850 27.165 0.000 0.000
+ 18.850 27.931 0.000 0.000
+ 18.850 28.696 0.000 0.000
+ 18.850 29.461 0.000 0.000
+ 18.850 30.226 0.000 0.000
+ 18.850 30.992 0.000 0.000
+ 18.850 31.757 0.000 0.167
+ 18.850 32.522 0.000 0.333
+ 18.850 33.287 0.000 0.000
+ 18.850 34.052 0.000 0.000
+ 18.850 34.818 0.000 0.000
+ 18.850 35.583 0.000 0.000
+ 18.850 36.348 0.000 0.000
+ 18.850 37.113 0.000 0.000
+ 18.850 37.879 0.000 0.000
+ 19.430 0.383 0.000 0.000
+ 19.430 1.148 0.000 0.000
+ 19.430 1.913 0.000 0.000
+ 19.430 2.678 0.000 0.000
+ 19.430 3.444 0.000 0.000
+ 19.430 4.209 0.000 0.000
+ 19.430 4.974 0.000 0.000
+ 19.430 5.739 0.000 0.000
+ 19.430 6.504 0.000 0.000
+ 19.430 7.270 0.000 0.000
+ 19.430 8.035 0.000 0.000
+ 19.430 8.800 0.000 0.000
+ 19.430 9.565 0.000 0.000
+ 19.430 10.331 0.000 0.000
+ 19.430 11.096 0.000 0.000
+ 19.430 11.861 0.000 0.000
+ 19.430 12.626 0.000 0.000
+ 19.430 13.391 0.000 0.000
+ 19.430 14.157 0.000 0.333
+ 19.430 14.922 0.000 0.000
+ 19.430 15.687 0.000 0.167
+ 19.430 16.452 0.000 0.000
+ 19.430 17.218 0.000 0.000
+ 19.430 17.983 0.000 0.000
+ 19.430 18.748 0.000 0.000
+ 19.430 19.513 0.000 0.000
+ 19.430 20.278 0.000 0.333
+ 19.430 21.044 0.000 0.167
+ 19.430 21.809 0.000 0.000
+ 19.430 22.574 0.333 0.000
+ 19.430 23.339 0.667 0.000
+ 19.430 24.105 0.000 0.000
+ 19.430 24.870 0.000 0.000
+ 19.430 25.635 0.000 0.000
+ 19.430 26.400 0.000 0.167
+ 19.430 27.165 0.000 0.667
+ 19.430 27.931 0.000 0.000
+ 19.430 28.696 0.000 0.000
+ 19.430 29.461 0.000 0.000
+ 19.430 30.226 0.000 0.000
+ 19.430 30.992 0.000 0.000
+ 19.430 31.757 0.000 0.000
+ 19.430 32.522 0.000 0.000
+ 19.430 33.287 0.000 0.000
+ 19.430 34.052 0.000 0.000
+ 19.430 34.818 0.000 0.000
+ 19.430 35.583 0.000 0.000
+ 19.430 36.348 0.000 0.000
+ 19.430 37.113 0.000 0.000
+ 19.430 37.879 0.000 0.000
+ 20.010 0.383 0.000 0.000
+ 20.010 1.148 0.000 0.000
+ 20.010 1.913 0.000 0.000
+ 20.010 2.678 0.000 0.000
+ 20.010 3.444 0.000 0.000
+ 20.010 4.209 0.000 0.000
+ 20.010 4.974 0.000 0.000
+ 20.010 5.739 0.000 0.000
+ 20.010 6.504 0.000 0.000
+ 20.010 7.270 0.000 0.000
+ 20.010 8.035 0.000 0.000
+ 20.010 8.800 0.000 0.000
+ 20.010 9.565 0.000 0.333
+ 20.010 10.331 0.000 0.333
+ 20.010 11.096 0.000 0.000
+ 20.010 11.861 0.000 0.000
+ 20.010 12.626 0.000 0.000
+ 20.010 13.391 0.000 0.000
+ 20.010 14.157 0.000 0.000
+ 20.010 14.922 0.000 0.000
+ 20.010 15.687 0.000 0.000
+ 20.010 16.452 0.000 0.000
+ 20.010 17.218 0.000 0.000
+ 20.010 17.983 0.000 0.000
+ 20.010 18.748 0.000 0.000
+ 20.010 19.513 0.000 0.000
+ 20.010 20.278 0.000 0.000
+ 20.010 21.044 0.000 0.000
+ 20.010 21.809 0.000 0.000
+ 20.010 22.574 0.000 0.500
+ 20.010 23.339 0.000 0.000
+ 20.010 24.105 0.000 0.000
+ 20.010 24.870 0.000 0.000
+ 20.010 25.635 0.000 0.000
+ 20.010 26.400 0.000 0.000
+ 20.010 27.165 1.000 0.000
+ 20.010 27.931 0.000 0.167
+ 20.010 28.696 0.000 0.000
+ 20.010 29.461 0.000 0.000
+ 20.010 30.226 0.000 0.000
+ 20.010 30.992 0.000 0.000
+ 20.010 31.757 0.000 0.000
+ 20.010 32.522 0.000 0.000
+ 20.010 33.287 0.333 0.000
+ 20.010 34.052 0.000 0.000
+ 20.010 34.818 0.000 0.000
+ 20.010 35.583 0.000 0.000
+ 20.010 36.348 0.000 0.500
+ 20.010 37.113 0.000 0.000
+ 20.010 37.879 0.000 0.000
+ 20.590 0.383 0.000 0.000
+ 20.590 1.148 0.000 0.333
+ 20.590 1.913 0.000 0.167
+ 20.590 2.678 0.000 0.000
+ 20.590 3.444 0.000 0.000
+ 20.590 4.209 0.000 0.500
+ 20.590 4.974 0.000 0.000
+ 20.590 5.739 0.000 0.000
+ 20.590 6.504 0.000 0.000
+ 20.590 7.270 0.000 0.000
+ 20.590 8.035 0.000 0.000
+ 20.590 8.800 0.000 0.000
+ 20.590 9.565 0.000 0.000
+ 20.590 10.331 0.000 0.167
+ 20.590 11.096 0.000 0.000
+ 20.590 11.861 0.000 0.000
+ 20.590 12.626 0.000 0.000
+ 20.590 13.391 0.000 0.333
+ 20.590 14.157 0.000 0.000
+ 20.590 14.922 0.000 0.000
+ 20.590 15.687 0.000 0.000
+ 20.590 16.452 0.000 0.000
+ 20.590 17.218 0.000 0.333
+ 20.590 17.983 0.000 0.000
+ 20.590 18.748 0.000 0.000
+ 20.590 19.513 0.000 0.000
+ 20.590 20.278 0.000 0.000
+ 20.590 21.044 0.000 0.000
+ 20.590 21.809 0.000 0.000
+ 20.590 22.574 0.000 0.000
+ 20.590 23.339 0.000 0.500
+ 20.590 24.105 0.000 0.000
+ 20.590 24.870 0.000 0.000
+ 20.590 25.635 0.000 0.000
+ 20.590 26.400 0.000 0.333
+ 20.590 27.165 0.000 0.000
+ 20.590 27.931 0.000 0.000
+ 20.590 28.696 0.000 0.000
+ 20.590 29.461 0.000 0.000
+ 20.590 30.226 0.000 0.000
+ 20.590 30.992 0.000 0.000
+ 20.590 31.757 0.000 0.167
+ 20.590 32.522 0.000 0.000
+ 20.590 33.287 0.667 0.500
+ 20.590 34.052 0.000 0.167
+ 20.590 34.818 0.000 0.000
+ 20.590 35.583 0.000 0.000
+ 20.590 36.348 0.000 0.000
+ 20.590 37.113 0.000 0.000
+ 20.590 37.879 0.000 0.000
+ 21.170 0.383 0.000 0.500
+ 21.170 1.148 0.667 0.000
+ 21.170 1.913 0.333 0.000
+ 21.170 2.678 0.000 0.000
+ 21.170 3.444 0.000 0.000
+ 21.170 4.209 0.333 0.000
+ 21.170 4.974 0.000 0.167
+ 21.170 5.739 0.000 0.000
+ 21.170 6.504 0.000 0.000
+ 21.170 7.270 0.000 0.000
+ 21.170 8.035 0.000 0.000
+ 21.170 8.800 0.000 0.000
+ 21.170 9.565 0.000 0.000
+ 21.170 10.331 1.000 0.000
+ 21.170 11.096 0.000 0.000
+ 21.170 11.861 0.000 0.000
+ 21.170 12.626 0.000 0.000
+ 21.170 13.391 0.000 0.000
+ 21.170 14.157 0.000 0.500
+ 21.170 14.922 0.000 0.000
+ 21.170 15.687 0.000 0.000
+ 21.170 16.452 0.000 0.000
+ 21.170 17.218 0.000 0.000
+ 21.170 17.983 0.000 0.000
+ 21.170 18.748 0.000 0.500
+ 21.170 19.513 0.000 0.000
+ 21.170 20.278 0.000 0.000
+ 21.170 21.044 0.000 0.000
+ 21.170 21.809 0.000 0.000
+ 21.170 22.574 0.000 0.000
+ 21.170 23.339 0.000 0.000
+ 21.170 24.105 0.000 0.000
+ 21.170 24.870 0.000 0.000
+ 21.170 25.635 0.000 0.000
+ 21.170 26.400 0.000 0.167
+ 21.170 27.165 0.000 0.333
+ 21.170 27.931 0.000 0.000
+ 21.170 28.696 0.000 0.500
+ 21.170 29.461 0.000 0.000
+ 21.170 30.226 0.000 0.000
+ 21.170 30.992 0.000 0.000
+ 21.170 31.757 0.000 0.000
+ 21.170 32.522 0.000 0.333
+ 21.170 33.287 0.000 0.000
+ 21.170 34.052 0.000 0.000
+ 21.170 34.818 0.000 0.000
+ 21.170 35.583 0.000 0.000
+ 21.170 36.348 0.000 0.500
+ 21.170 37.113 1.000 0.000
+ 21.170 37.879 0.000 0.000
+ 21.750 0.383 0.000 0.000
+ 21.750 1.148 0.000 0.000
+ 21.750 1.913 0.000 0.000
+ 21.750 2.678 0.000 0.000
+ 21.750 3.444 0.000 0.500
+ 21.750 4.209 0.333 0.000
+ 21.750 4.974 0.000 0.333
+ 21.750 5.739 0.000 0.000
+ 21.750 6.504 0.000 0.000
+ 21.750 7.270 0.000 0.000
+ 21.750 8.035 0.000 0.000
+ 21.750 8.800 0.000 0.000
+ 21.750 9.565 0.000 0.333
+ 21.750 10.331 0.000 0.500
+ 21.750 11.096 0.000 0.000
+ 21.750 11.861 0.000 0.000
+ 21.750 12.626 0.000 0.000
+ 21.750 13.391 0.000 0.000
+ 21.750 14.157 0.000 0.000
+ 21.750 14.922 0.000 0.000
+ 21.750 15.687 0.000 0.000
+ 21.750 16.452 0.000 0.000
+ 21.750 17.218 0.000 0.000
+ 21.750 17.983 0.000 0.000
+ 21.750 18.748 1.000 0.000
+ 21.750 19.513 0.000 0.000
+ 21.750 20.278 0.000 0.000
+ 21.750 21.044 0.000 0.000
+ 21.750 21.809 0.000 0.167
+ 21.750 22.574 0.000 0.333
+ 21.750 23.339 0.000 0.000
+ 21.750 24.105 0.000 0.000
+ 21.750 24.870 0.000 0.000
+ 21.750 25.635 0.000 0.000
+ 21.750 26.400 0.000 0.167
+ 21.750 27.165 0.000 0.000
+ 21.750 27.931 0.000 0.000
+ 21.750 28.696 0.000 0.000
+ 21.750 29.461 1.000 0.167
+ 21.750 30.226 0.000 0.333
+ 21.750 30.992 0.000 0.000
+ 21.750 31.757 0.000 0.000
+ 21.750 32.522 0.000 0.000
+ 21.750 33.287 0.000 0.000
+ 21.750 34.052 0.000 0.000
+ 21.750 34.818 0.000 0.000
+ 21.750 35.583 0.000 0.000
+ 21.750 36.348 0.000 0.000
+ 21.750 37.113 0.000 0.000
+ 21.750 37.879 0.000 0.167
+ 22.330 0.383 0.000 0.000
+ 22.330 1.148 0.000 0.000
+ 22.330 1.913 0.000 0.000
+ 22.330 2.678 0.000 0.000
+ 22.330 3.444 0.000 0.000
+ 22.330 4.209 0.000 0.000
+ 22.330 4.974 0.000 0.000
+ 22.330 5.739 0.000 0.000
+ 22.330 6.504 0.000 0.000
+ 22.330 7.270 0.000 0.000
+ 22.330 8.035 0.000 0.000
+ 22.330 8.800 0.000 0.000
+ 22.330 9.565 0.000 0.167
+ 22.330 10.331 0.000 0.000
+ 22.330 11.096 0.000 0.000
+ 22.330 11.861 0.000 0.000
+ 22.330 12.626 0.000 0.000
+ 22.330 13.391 0.000 0.000
+ 22.330 14.157 1.000 0.000
+ 22.330 14.922 0.000 0.500
+ 22.330 15.687 0.000 0.000
+ 22.330 16.452 0.000 0.000
+ 22.330 17.218 0.000 0.333
+ 22.330 17.983 0.000 0.000
+ 22.330 18.748 0.000 0.000
+ 22.330 19.513 0.000 0.333
+ 22.330 20.278 0.000 0.000
+ 22.330 21.044 0.000 0.167
+ 22.330 21.809 0.000 0.000
+ 22.330 22.574 0.000 0.000
+ 22.330 23.339 0.000 0.000
+ 22.330 24.105 1.000 0.333
+ 22.330 24.870 0.000 0.500
+ 22.330 25.635 0.000 0.000
+ 22.330 26.400 0.000 0.000
+ 22.330 27.165 0.000 0.000
+ 22.330 27.931 0.000 0.000
+ 22.330 28.696 0.000 0.000
+ 22.330 29.461 0.000 0.000
+ 22.330 30.226 0.000 0.000
+ 22.330 30.992 0.000 0.000
+ 22.330 31.757 0.000 0.000
+ 22.330 32.522 0.000 0.000
+ 22.330 33.287 0.000 0.000
+ 22.330 34.052 0.000 0.000
+ 22.330 34.818 0.000 0.000
+ 22.330 35.583 0.000 0.000
+ 22.330 36.348 0.000 0.000
+ 22.330 37.113 0.000 0.000
+ 22.330 37.879 0.000 0.000
+ 22.910 0.383 0.000 0.000
+ 22.910 1.148 0.000 0.000
+ 22.910 1.913 0.000 0.000
+ 22.910 2.678 0.000 0.000
+ 22.910 3.444 0.000 0.000
+ 22.910 4.209 0.000 0.000
+ 22.910 4.974 0.000 0.000
+ 22.910 5.739 0.000 0.000
+ 22.910 6.504 0.000 0.000
+ 22.910 7.270 0.000 0.000
+ 22.910 8.035 0.000 0.000
+ 22.910 8.800 0.000 0.000
+ 22.910 9.565 0.000 0.000
+ 22.910 10.331 0.000 0.000
+ 22.910 11.096 0.000 0.000
+ 22.910 11.861 0.000 0.333
+ 22.910 12.626 0.000 0.167
+ 22.910 13.391 0.000 0.000
+ 22.910 14.157 0.000 0.000
+ 22.910 14.922 0.000 0.000
+ 22.910 15.687 0.000 0.000
+ 22.910 16.452 1.000 0.000
+ 22.910 17.218 0.000 0.167
+ 22.910 17.983 0.000 0.000
+ 22.910 18.748 0.000 0.000
+ 22.910 19.513 0.000 0.167
+ 22.910 20.278 0.000 0.000
+ 22.910 21.044 0.000 0.000
+ 22.910 21.809 0.000 0.000
+ 22.910 22.574 0.000 0.000
+ 22.910 23.339 0.000 0.167
+ 22.910 24.105 0.000 0.000
+ 22.910 24.870 0.000 0.000
+ 22.910 25.635 0.000 0.000
+ 22.910 26.400 0.000 0.000
+ 22.910 27.165 0.000 0.000
+ 22.910 27.931 0.000 0.000
+ 22.910 28.696 0.000 0.000
+ 22.910 29.461 0.000 0.000
+ 22.910 30.226 0.000 0.000
+ 22.910 30.992 0.000 0.000
+ 22.910 31.757 0.000 0.000
+ 22.910 32.522 0.000 0.000
+ 22.910 33.287 0.000 0.000
+ 22.910 34.052 0.000 0.000
+ 22.910 34.818 0.000 0.000
+ 22.910 35.583 0.000 0.000
+ 22.910 36.348 0.000 0.000
+ 22.910 37.113 0.000 0.500
+ 22.910 37.879 0.000 0.000
+ 23.490 0.383 0.000 0.000
+ 23.490 1.148 0.000 0.000
+ 23.490 1.913 0.000 0.000
+ 23.490 2.678 0.000 0.000
+ 23.490 3.444 0.000 0.000
+ 23.490 4.209 0.000 0.000
+ 23.490 4.974 0.000 0.000
+ 23.490 5.739 0.000 0.000
+ 23.490 6.504 0.000 0.000
+ 23.490 7.270 0.000 0.000
+ 23.490 8.035 0.000 0.500
+ 23.490 8.800 0.000 0.000
+ 23.490 9.565 0.000 0.500
+ 23.490 10.331 0.000 0.000
+ 23.490 11.096 0.000 0.000
+ 23.490 11.861 0.000 0.000
+ 23.490 12.626 0.333 0.333
+ 23.490 13.391 0.000 0.000
+ 23.490 14.157 0.000 0.000
+ 23.490 14.922 0.000 0.000
+ 23.490 15.687 0.000 0.000
+ 23.490 16.452 0.000 0.167
+ 23.490 17.218 0.000 0.167
+ 23.490 17.983 0.000 0.000
+ 23.490 18.748 0.000 0.000
+ 23.490 19.513 0.000 0.000
+ 23.490 20.278 0.000 0.000
+ 23.490 21.044 0.000 0.000
+ 23.490 21.809 0.000 0.000
+ 23.490 22.574 0.000 0.000
+ 23.490 23.339 0.000 0.000
+ 23.490 24.105 0.000 0.000
+ 23.490 24.870 0.000 0.000
+ 23.490 25.635 0.000 0.000
+ 23.490 26.400 0.000 0.000
+ 23.490 27.165 0.000 0.333
+ 23.490 27.931 0.000 0.000
+ 23.490 28.696 0.000 0.000
+ 23.490 29.461 0.000 0.000
+ 23.490 30.226 0.000 0.000
+ 23.490 30.992 0.000 0.000
+ 23.490 31.757 0.000 0.000
+ 23.490 32.522 0.000 0.000
+ 23.490 33.287 0.000 0.000
+ 23.490 34.052 0.000 0.000
+ 23.490 34.818 0.000 0.000
+ 23.490 35.583 0.000 0.000
+ 23.490 36.348 0.000 0.000
+ 23.490 37.113 1.000 0.000
+ 23.490 37.879 0.000 0.000
+ 24.070 0.383 0.000 0.000
+ 24.070 1.148 0.000 0.000
+ 24.070 1.913 0.000 0.000
+ 24.070 2.678 0.000 0.000
+ 24.070 3.444 0.000 0.000
+ 24.070 4.209 0.000 0.000
+ 24.070 4.974 0.000 0.000
+ 24.070 5.739 0.000 0.000
+ 24.070 6.504 0.000 0.000
+ 24.070 7.270 0.000 0.000
+ 24.070 8.035 0.000 0.000
+ 24.070 8.800 1.000 0.000
+ 24.070 9.565 0.000 0.000
+ 24.070 10.331 0.000 0.000
+ 24.070 11.096 0.000 0.000
+ 24.070 11.861 0.667 0.000
+ 24.070 12.626 0.000 0.000
+ 24.070 13.391 0.000 0.000
+ 24.070 14.157 0.000 0.000
+ 24.070 14.922 0.000 0.000
+ 24.070 15.687 0.000 0.000
+ 24.070 16.452 0.000 0.167
+ 24.070 17.218 0.000 0.000
+ 24.070 17.983 0.000 0.000
+ 24.070 18.748 0.000 0.000
+ 24.070 19.513 0.000 0.000
+ 24.070 20.278 0.000 0.000
+ 24.070 21.044 0.000 0.000
+ 24.070 21.809 0.000 0.333
+ 24.070 22.574 0.000 0.000
+ 24.070 23.339 0.000 0.000
+ 24.070 24.105 0.000 0.000
+ 24.070 24.870 0.000 0.000
+ 24.070 25.635 0.000 0.000
+ 24.070 26.400 0.000 0.000
+ 24.070 27.165 0.000 0.167
+ 24.070 27.931 0.000 0.000
+ 24.070 28.696 0.000 0.000
+ 24.070 29.461 0.000 0.000
+ 24.070 30.226 0.000 0.000
+ 24.070 30.992 0.000 0.000
+ 24.070 31.757 0.000 0.000
+ 24.070 32.522 0.000 0.500
+ 24.070 33.287 1.000 0.000
+ 24.070 34.052 0.000 0.333
+ 24.070 34.818 0.000 0.000
+ 24.070 35.583 0.000 0.500
+ 24.070 36.348 0.000 0.000
+ 24.070 37.113 0.000 0.000
+ 24.070 37.879 0.000 0.500
+ 24.650 0.383 0.000 0.000
+ 24.650 1.148 0.000 0.000
+ 24.650 1.913 0.000 0.000
+ 24.650 2.678 0.000 0.000
+ 24.650 3.444 0.000 0.000
+ 24.650 4.209 0.000 0.000
+ 24.650 4.974 0.000 0.333
+ 24.650 5.739 0.000 0.000
+ 24.650 6.504 0.000 0.000
+ 24.650 7.270 0.000 0.000
+ 24.650 8.035 0.000 0.167
+ 24.650 8.800 0.000 0.000
+ 24.650 9.565 0.000 0.000
+ 24.650 10.331 0.000 0.000
+ 24.650 11.096 0.000 0.000
+ 24.650 11.861 0.000 0.333
+ 24.650 12.626 0.000 0.167
+ 24.650 13.391 0.000 0.000
+ 24.650 14.157 0.000 0.000
+ 24.650 14.922 0.000 0.000
+ 24.650 15.687 0.000 0.000
+ 24.650 16.452 0.000 0.000
+ 24.650 17.218 0.000 0.000
+ 24.650 17.983 0.000 0.000
+ 24.650 18.748 0.000 0.000
+ 24.650 19.513 0.667 0.000
+ 24.650 20.278 0.000 0.000
+ 24.650 21.044 0.000 0.000
+ 24.650 21.809 0.000 0.167
+ 24.650 22.574 0.000 0.167
+ 24.650 23.339 0.000 0.167
+ 24.650 24.105 0.000 0.000
+ 24.650 24.870 0.000 0.000
+ 24.650 25.635 0.000 0.000
+ 24.650 26.400 0.000 0.000
+ 24.650 27.165 0.000 0.000
+ 24.650 27.931 1.000 0.000
+ 24.650 28.696 0.000 0.000
+ 24.650 29.461 0.000 0.667
+ 24.650 30.226 0.333 0.000
+ 24.650 30.992 0.000 0.000
+ 24.650 31.757 0.000 0.000
+ 24.650 32.522 0.000 0.000
+ 24.650 33.287 0.000 0.167
+ 24.650 34.052 0.000 0.000
+ 24.650 34.818 0.000 0.000
+ 24.650 35.583 0.000 0.000
+ 24.650 36.348 0.000 0.000
+ 24.650 37.113 0.000 0.000
+ 24.650 37.879 0.000 0.000
+ 25.230 0.383 0.000 0.000
+ 25.230 1.148 1.000 0.000
+ 25.230 1.913 0.000 0.500
+ 25.230 2.678 0.000 0.000
+ 25.230 3.444 0.667 0.000
+ 25.230 4.209 0.000 0.333
+ 25.230 4.974 0.000 0.000
+ 25.230 5.739 0.000 0.000
+ 25.230 6.504 0.000 0.000
+ 25.230 7.270 0.000 0.000
+ 25.230 8.035 0.000 0.000
+ 25.230 8.800 0.000 0.167
+ 25.230 9.565 0.000 0.000
+ 25.230 10.331 0.000 0.000
+ 25.230 11.096 0.000 0.000
+ 25.230 11.861 0.000 0.000
+ 25.230 12.626 0.000 0.000
+ 25.230 13.391 0.000 0.000
+ 25.230 14.157 0.000 0.000
+ 25.230 14.922 0.000 0.167
+ 25.230 15.687 0.000 0.000
+ 25.230 16.452 0.000 0.000
+ 25.230 17.218 0.000 0.000
+ 25.230 17.983 0.000 0.000
+ 25.230 18.748 0.000 0.000
+ 25.230 19.513 0.000 0.333
+ 25.230 20.278 0.000 0.000
+ 25.230 21.044 0.000 0.167
+ 25.230 21.809 0.000 0.000
+ 25.230 22.574 0.000 0.000
+ 25.230 23.339 0.000 0.167
+ 25.230 24.105 0.000 0.000
+ 25.230 24.870 0.000 0.000
+ 25.230 25.635 0.000 0.000
+ 25.230 26.400 0.000 0.000
+ 25.230 27.165 0.000 0.500
+ 25.230 27.931 0.000 0.000
+ 25.230 28.696 0.000 0.000
+ 25.230 29.461 0.000 0.000
+ 25.230 30.226 0.333 0.000
+ 25.230 30.992 0.333 0.000
+ 25.230 31.757 0.000 0.000
+ 25.230 32.522 0.000 0.000
+ 25.230 33.287 0.000 0.167
+ 25.230 34.052 0.000 0.000
+ 25.230 34.818 0.000 0.000
+ 25.230 35.583 0.000 0.000
+ 25.230 36.348 0.000 0.000
+ 25.230 37.113 0.000 0.000
+ 25.230 37.879 0.000 0.000
+ 25.810 0.383 0.000 0.167
+ 25.810 1.148 0.000 0.000
+ 25.810 1.913 0.000 0.000
+ 25.810 2.678 0.000 0.000
+ 25.810 3.444 0.000 0.000
+ 25.810 4.209 0.000 0.167
+ 25.810 4.974 0.000 0.000
+ 25.810 5.739 0.000 0.000
+ 25.810 6.504 0.000 0.000
+ 25.810 7.270 0.000 0.000
+ 25.810 8.035 0.000 0.000
+ 25.810 8.800 0.000 0.000
+ 25.810 9.565 0.000 0.000
+ 25.810 10.331 0.000 0.000
+ 25.810 11.096 0.000 0.000
+ 25.810 11.861 0.000 0.000
+ 25.810 12.626 0.000 0.000
+ 25.810 13.391 0.000 0.000
+ 25.810 14.157 0.000 0.167
+ 25.810 14.922 0.000 0.000
+ 25.810 15.687 0.000 0.000
+ 25.810 16.452 0.000 0.000
+ 25.810 17.218 0.000 0.000
+ 25.810 17.983 0.000 0.000
+ 25.810 18.748 0.000 0.000
+ 25.810 19.513 0.000 0.167
+ 25.810 20.278 0.000 0.000
+ 25.810 21.044 0.000 0.333
+ 25.810 21.809 0.000 0.000
+ 25.810 22.574 0.000 0.000
+ 25.810 23.339 0.000 0.000
+ 25.810 24.105 0.000 0.000
+ 25.810 24.870 0.000 0.000
+ 25.810 25.635 0.000 0.000
+ 25.810 26.400 0.000 0.000
+ 25.810 27.165 0.000 0.000
+ 25.810 27.931 0.000 0.000
+ 25.810 28.696 0.000 0.000
+ 25.810 29.461 0.000 0.000
+ 25.810 30.226 0.000 0.167
+ 25.810 30.992 0.000 0.333
+ 25.810 31.757 0.000 0.000
+ 25.810 32.522 0.000 0.000
+ 25.810 33.287 0.000 0.333
+ 25.810 34.052 0.000 0.000
+ 25.810 34.818 0.000 0.167
+ 25.810 35.583 0.000 0.333
+ 25.810 36.348 0.000 0.000
+ 25.810 37.113 0.000 0.000
+ 25.810 37.879 0.000 0.000
+ 26.390 0.383 0.000 0.333
+ 26.390 1.148 0.000 0.333
+ 26.390 1.913 0.000 0.000
+ 26.390 2.678 0.000 0.000
+ 26.390 3.444 0.000 0.167
+ 26.390 4.209 0.000 0.333
+ 26.390 4.974 0.000 0.000
+ 26.390 5.739 0.000 0.000
+ 26.390 6.504 0.000 0.000
+ 26.390 7.270 0.000 0.000
+ 26.390 8.035 0.000 0.000
+ 26.390 8.800 0.000 0.000
+ 26.390 9.565 0.000 0.000
+ 26.390 10.331 0.000 0.000
+ 26.390 11.096 0.000 0.000
+ 26.390 11.861 0.000 0.000
+ 26.390 12.626 0.667 0.000
+ 26.390 13.391 0.000 0.333
+ 26.390 14.157 0.000 0.000
+ 26.390 14.922 0.000 0.000
+ 26.390 15.687 0.000 0.000
+ 26.390 16.452 0.000 0.000
+ 26.390 17.218 0.000 0.000
+ 26.390 17.983 0.000 0.000
+ 26.390 18.748 0.000 0.500
+ 26.390 19.513 0.000 0.000
+ 26.390 20.278 0.000 0.000
+ 26.390 21.044 0.333 0.000
+ 26.390 21.809 0.667 0.000
+ 26.390 22.574 0.000 0.000
+ 26.390 23.339 0.000 0.500
+ 26.390 24.105 1.000 0.167
+ 26.390 24.870 0.000 0.000
+ 26.390 25.635 0.000 0.500
+ 26.390 26.400 0.000 0.000
+ 26.390 27.165 0.000 0.167
+ 26.390 27.931 0.000 0.333
+ 26.390 28.696 0.000 0.000
+ 26.390 29.461 0.000 0.000
+ 26.390 30.226 0.000 0.000
+ 26.390 30.992 0.000 0.000
+ 26.390 31.757 0.000 0.000
+ 26.390 32.522 0.000 0.000
+ 26.390 33.287 0.000 0.000
+ 26.390 34.052 0.000 0.000
+ 26.390 34.818 0.000 0.333
+ 26.390 35.583 1.000 0.000
+ 26.390 36.348 0.000 0.000
+ 26.390 37.113 0.000 0.000
+ 26.390 37.879 0.000 0.167
+ 26.970 0.383 0.000 0.000
+ 26.970 1.148 0.000 0.000
+ 26.970 1.913 0.000 0.000
+ 26.970 2.678 0.000 0.000
+ 26.970 3.444 0.000 0.000
+ 26.970 4.209 0.000 0.000
+ 26.970 4.974 0.000 0.000
+ 26.970 5.739 0.000 0.167
+ 26.970 6.504 0.000 0.333
+ 26.970 7.270 0.000 0.000
+ 26.970 8.035 0.000 0.000
+ 26.970 8.800 0.000 0.000
+ 26.970 9.565 0.000 0.000
+ 26.970 10.331 0.000 0.000
+ 26.970 11.096 0.000 0.000
+ 26.970 11.861 0.000 0.833
+ 26.970 12.626 0.333 0.167
+ 26.970 13.391 0.000 0.000
+ 26.970 14.157 0.000 0.000
+ 26.970 14.922 0.000 0.000
+ 26.970 15.687 0.000 0.000
+ 26.970 16.452 0.000 0.000
+ 26.970 17.218 0.000 0.000
+ 26.970 17.983 0.000 0.000
+ 26.970 18.748 0.000 0.000
+ 26.970 19.513 0.000 0.000
+ 26.970 20.278 0.000 0.000
+ 26.970 21.044 0.000 0.500
+ 26.970 21.809 0.000 0.000
+ 26.970 22.574 0.000 0.000
+ 26.970 23.339 0.000 0.000
+ 26.970 24.105 0.000 0.333
+ 26.970 24.870 0.000 0.000
+ 26.970 25.635 0.000 0.000
+ 26.970 26.400 0.000 0.000
+ 26.970 27.165 0.000 0.000
+ 26.970 27.931 0.000 0.000
+ 26.970 28.696 0.000 0.000
+ 26.970 29.461 0.000 0.000
+ 26.970 30.226 0.000 0.000
+ 26.970 30.992 0.000 0.000
+ 26.970 31.757 0.000 0.000
+ 26.970 32.522 0.000 0.000
+ 26.970 33.287 0.000 0.000
+ 26.970 34.052 0.000 0.000
+ 26.970 34.818 0.000 0.167
+ 26.970 35.583 0.000 0.000
+ 26.970 36.348 0.000 0.000
+ 26.970 37.113 0.000 0.000
+ 26.970 37.879 0.000 0.000
+ 27.550 0.383 0.000 0.000
+ 27.550 1.148 0.000 0.000
+ 27.550 1.913 0.000 0.000
+ 27.550 2.678 0.000 0.000
+ 27.550 3.444 0.000 0.000
+ 27.550 4.209 0.000 0.000
+ 27.550 4.974 0.000 0.000
+ 27.550 5.739 0.667 0.000
+ 27.550 6.504 0.333 0.000
+ 27.550 7.270 0.000 0.000
+ 27.550 8.035 0.000 0.000
+ 27.550 8.800 0.000 0.000
+ 27.550 9.565 0.000 0.167
+ 27.550 10.331 0.000 0.000
+ 27.550 11.096 0.000 0.000
+ 27.550 11.861 0.000 0.000
+ 27.550 12.626 0.000 0.000
+ 27.550 13.391 0.000 0.000
+ 27.550 14.157 0.000 0.000
+ 27.550 14.922 0.000 0.000
+ 27.550 15.687 0.000 0.000
+ 27.550 16.452 0.000 0.000
+ 27.550 17.218 0.000 0.000
+ 27.550 17.983 0.333 0.333
+ 27.550 18.748 0.667 0.000
+ 27.550 19.513 0.000 0.000
+ 27.550 20.278 0.000 0.000
+ 27.550 21.044 0.000 0.000
+ 27.550 21.809 0.000 0.000
+ 27.550 22.574 0.000 0.000
+ 27.550 23.339 0.000 0.000
+ 27.550 24.105 0.000 0.000
+ 27.550 24.870 0.000 0.000
+ 27.550 25.635 0.000 0.000
+ 27.550 26.400 0.000 0.167
+ 27.550 27.165 0.000 0.333
+ 27.550 27.931 0.000 0.333
+ 27.550 28.696 0.000 0.000
+ 27.550 29.461 0.000 0.000
+ 27.550 30.226 0.000 0.000
+ 27.550 30.992 0.000 0.000
+ 27.550 31.757 0.000 0.000
+ 27.550 32.522 0.000 0.000
+ 27.550 33.287 0.000 0.000
+ 27.550 34.052 0.000 0.000
+ 27.550 34.818 0.000 0.000
+ 27.550 35.583 0.000 0.000
+ 27.550 36.348 0.000 0.000
+ 27.550 37.113 0.000 0.000
+ 27.550 37.879 0.000 0.000
+ 28.130 0.383 0.000 0.333
+ 28.130 1.148 0.000 0.500
+ 28.130 1.913 0.333 0.000
+ 28.130 2.678 0.000 0.333
+ 28.130 3.444 0.000 0.000
+ 28.130 4.209 0.000 0.333
+ 28.130 4.974 0.000 0.000
+ 28.130 5.739 0.000 0.000
+ 28.130 6.504 0.000 0.000
+ 28.130 7.270 0.000 0.000
+ 28.130 8.035 0.000 0.000
+ 28.130 8.800 0.000 0.000
+ 28.130 9.565 1.000 0.333
+ 28.130 10.331 0.000 0.000
+ 28.130 11.096 0.000 0.000
+ 28.130 11.861 0.000 0.000
+ 28.130 12.626 0.000 0.000
+ 28.130 13.391 0.000 0.000
+ 28.130 14.157 0.000 0.333
+ 28.130 14.922 0.000 0.000
+ 28.130 15.687 0.000 0.000
+ 28.130 16.452 0.000 0.000
+ 28.130 17.218 0.000 0.167
+ 28.130 17.983 0.000 0.000
+ 28.130 18.748 0.000 0.167
+ 28.130 19.513 0.000 0.333
+ 28.130 20.278 0.000 0.000
+ 28.130 21.044 0.000 0.000
+ 28.130 21.809 0.000 0.000
+ 28.130 22.574 0.000 0.000
+ 28.130 23.339 0.000 0.000
+ 28.130 24.105 0.000 0.000
+ 28.130 24.870 0.000 0.000
+ 28.130 25.635 0.000 0.000
+ 28.130 26.400 0.000 0.000
+ 28.130 27.165 0.000 0.000
+ 28.130 27.931 0.000 0.167
+ 28.130 28.696 0.000 0.000
+ 28.130 29.461 0.000 0.000
+ 28.130 30.226 0.000 0.000
+ 28.130 30.992 0.000 0.000
+ 28.130 31.757 0.000 0.000
+ 28.130 32.522 0.000 0.500
+ 28.130 33.287 0.000 0.000
+ 28.130 34.052 0.000 0.000
+ 28.130 34.818 0.000 0.000
+ 28.130 35.583 0.000 0.000
+ 28.130 36.348 0.000 0.667
+ 28.130 37.113 0.000 0.167
+ 28.130 37.879 0.000 0.167
+ 28.710 0.383 0.000 0.000
+ 28.710 1.148 0.000 0.000
+ 28.710 1.913 0.667 0.000
+ 28.710 2.678 0.000 0.000
+ 28.710 3.444 0.000 0.000
+ 28.710 4.209 0.000 0.167
+ 28.710 4.974 0.000 0.000
+ 28.710 5.739 0.000 0.000
+ 28.710 6.504 0.000 0.500
+ 28.710 7.270 0.000 0.000
+ 28.710 8.035 0.000 0.000
+ 28.710 8.800 0.000 0.000
+ 28.710 9.565 0.000 0.000
+ 28.710 10.331 0.000 0.000
+ 28.710 11.096 0.000 0.000
+ 28.710 11.861 0.000 0.000
+ 28.710 12.626 0.000 0.000
+ 28.710 13.391 0.000 0.000
+ 28.710 14.157 0.000 0.167
+ 28.710 14.922 0.000 0.000
+ 28.710 15.687 0.000 0.000
+ 28.710 16.452 1.000 0.000
+ 28.710 17.218 0.000 0.000
+ 28.710 17.983 0.000 0.000
+ 28.710 18.748 0.000 0.000
+ 28.710 19.513 0.000 0.000
+ 28.710 20.278 0.000 0.000
+ 28.710 21.044 0.000 0.000
+ 28.710 21.809 0.000 0.000
+ 28.710 22.574 0.000 0.000
+ 28.710 23.339 0.000 0.000
+ 28.710 24.105 0.000 0.000
+ 28.710 24.870 0.000 0.000
+ 28.710 25.635 0.000 0.000
+ 28.710 26.400 0.000 0.000
+ 28.710 27.165 0.333 0.000
+ 28.710 27.931 0.000 0.000
+ 28.710 28.696 0.000 0.000
+ 28.710 29.461 0.000 0.000
+ 28.710 30.226 0.000 0.000
+ 28.710 30.992 0.000 0.000
+ 28.710 31.757 0.000 0.000
+ 28.710 32.522 1.000 0.500
+ 28.710 33.287 0.000 0.000
+ 28.710 34.052 0.000 0.000
+ 28.710 34.818 0.000 0.000
+ 28.710 35.583 0.000 0.000
+ 28.710 36.348 0.000 0.167
+ 28.710 37.113 1.000 0.000
+ 28.710 37.879 0.000 0.000
+ Bulk (1) O-water
+ Bulk (1) H-water
+Bulk (1) O-water
+Bulk (1) H-water
diff --git a/tools/lmp2traj/lmp2traj.f b/tools/lmp2traj/lmp2traj.f
new file mode 100644
index 0000000000..7fe27e3a54
--- /dev/null
+++ b/tools/lmp2traj/lmp2traj.f
@@ -0,0 +1,449 @@
+*23456789|123456789|123456789|123456789|123456789|123456789|123456789|12
+*********************************************************************
+ program densprof
+
+*********************************************************************
+*** Density profile calculations for orthogonal cells
+***
+*** modified for more atom types (up to 20) and with generalized
+*** surface map arrays - 1 array 40x50x50 for 20 atom types x2 surfaces
+*** A.K. 8-13-02
+*** Modified for reading in the x direction Ara Kooser
+*** Modified for reading in LAMMPS files Jeff Greathouse and Ara Kooser
+*** 7/19/04
+*********************************************************************
+
+ implicit real*8 (a-h,o-z)
+
+ LOGICAL exists
+
+ character*12 inhist,outout,outeang,outhb,
+ * outsurf,outacf,outdat,outang
+ character name*4,file*10,text*6
+ character*5 mapat(20),rtype
+ character*8 colname(40)
+ character*40 mapcom(40)
+ character dummy*18, dummy1*12, dummy2*100
+
+ integer natom, ntype, nmaps, iconn(12), ndip(1000), mapid(20)
+ integer otype, htype, atype(1000)
+ integer itype(50000), icount(50), iwato(50000), iwath(50000,2)
+
+ dimension x(50000),y(50000),z(50000),q(50000)
+ dimension g(50,1000),dipx(1000),dipy(1000),dipz(1000),dip(1000)
+ dimension dipa(1000),dipc(1000),angdis(60,100)
+ dimension smap(40,50,50)
+ dimension amapmin(40),amapmax(40),amamap(40),psmap(40)
+
+
+
+ dummy1='123456789|123'
+
+c************************************
+ read (*,*) inhist
+ read (*,*) iframe1
+ read (*,*) iframe2
+ read (*,*) acell
+ read (*,*) bcell
+ read (*,*) ccell
+ read (*,*) alpha
+ read (*,*) beta
+ read (*,*) gamma
+ read (*,*) vol
+ read (*,*) otype
+ read (*,*) htype
+ read (*,*) watmiz
+ read (*,*) watmaz
+ read (*,*) zshift
+ read (*,*) nmaps
+ do 1 i=1,nmaps
+ read (*,*) mapcom(i)
+ read (*,*) mapid(i)
+ read (*,*) colname(i)
+ read (*,*) amapmin(i)
+ read (*,*) amapmax(i)
+ 1 continue
+**************************************
+c write(*,*) (mapcom(i),mapid(i),colname(i),amapmin(i),
+c * amapmax(i),i=1,nmaps)
+ name=inhist(1:4)
+ outout=name//'-out.txt'
+ outsurf=name//'-srf.txt'
+ outdat=name//'-dat.bin'
+ outang=name//'-ang.txt'
+ open(11,file=outout,status='new',form='formatted',err=999)
+ open(12,file=outsurf,status='new',form='formatted',err=999)
+ open(13,file=outang,status='new',form='formatted',err=999)
+ write(11,'(a35,a15)') 'Analysis output file - ', outout
+c---- removed
+ write(11,'(a35,a15)') 'Input trajectory (*.asc) - ', inhist
+ write(11,'(a35,i7)') 'First frame to analyze - ', iframe1
+ write(11,'(a35,i7)') 'Total frames to analyze - ', iframe2
+ write(11,'(a35,i7)') 'Total number of atoms - ', natom
+ write(11,'(a35,i7)') 'Total number of atom types - ', ntype
+ if(nwat.ne.(iwat-1)) write(*,*) 'nwat.ne.(iwat-1)',nwat,(iwat-1)
+ write(11,'(a35,i7)/') 'Total number of H2O molecules - ',nwat
+ write(11,'(/a13)') 'Atom types: '
+ write(11,1112) (i,'=',atype(i),i=1,ntype)
+ write(11,'(/a18)') 'Cell parameters: '
+ write(11,1111) 'a=',acell,'b=',bcell,'c=',ccell
+ write(11,1111) 'alpha=',alpha,'beta=',beta,'gamma=',gamma
+ write(11,1113) 'Vol=',vol
+ 1111 format(3(3x,a6,f10.6))
+ 1113 format(3x,a6,f13.6/)
+ 1112 format(6(3x,i3,a1,a5))
+
+c***********************************************
+c physical constants and conversion factors
+ pi=4*atan(1.)
+ raddeg=180./pi
+ rg=1.98719e-3
+ r3=3.e3*rg
+ calkj=4.184
+ an=0.60223
+ barcal=an/calkj*1.e-4
+ ted=ccell
+c yfn=1.0/dfloat(natom)
+c yfan=an*yfn
+ yted=1./ted
+ dipwat=0.41*1.60217733*10./3.33564
+c**********************************************
+ yrc=1000./ccell
+ yrc1=100./ccell
+ yra=50./acell
+ yrb=50./bcell
+ ywz=100./(watmaz-watmiz)
+ yang=60./180.
+c------ i=1,50 corresponds to 50 possible atom types
+ do 202 i=1,50
+ icount(i)=0
+c write(*,*)(mapcom(k),colname(k),amapmin(k),
+c * amapmax(k),mapid(k),k=1,nmaps)
+ do 201 j=1,1000
+ g(i,j)=0.
+ if(i.eq.1) then
+ ndip(j)=0
+ dipx(j)=0.
+ dipy(j)=0.
+ dipz(j)=0.
+ dip (j)=0.
+ dipa(j)=0.
+ dipc(j)=0.
+ endif
+ 201 continue
+ 202 continue
+
+ do 205 k=1,40
+ do 204 i=1,50
+ do 203 j=1,50
+ smap(k,i,j)=0.
+ 203 continue
+ 204 continue
+ 205 continue
+
+ do 302 i=1,50000
+ x(i)=0.
+ y(i)=0.
+ z(i)=0.
+ 302 continue
+
+ do 305 k=1,60
+ do 304 i=1,100
+ angdis(k,i)=0.
+ 304 continue
+ 305 continue
+
+c***************************************************************************
+ iframe=0
+ jframe=0
+
+ open(9,file=inhist,status='old',form='formatted',err=999)
+c open(9,file=inhist,status='old',form='unformatted',err=999)
+
+****************************************************************************
+ 9999 continue
+****************************************************************************
+ iatom=0
+ itycon=0
+c----Sets counter to zero
+
+
+c---------------------------------TESTING.F
+ read(9,*,end=999)
+ read(9,*,end=999) CurrentTime
+ read(9,*,end=999)
+ read(9,*,end=999) natom
+ read(9,*,end=999)
+ read(9,*,end=999)
+ read(9,*,end=999)
+ read(9,*,end=999)
+ read(9,*,end=999)
+
+ 400 format(i6,i3,3f9.5)
+ 410 format(1x,i5,1x,i2,3f9.5)
+
+
+
+ do 440 j=1,natom
+c----Comment this for a z mineral
+c 420 read(9,*,end=999) iatom,itype(iatom),z(iatom),x(iatom),
+c * y(iatom)
+
+c---- Uncomment this for a z mineral
+ 420 read(9,*,end=999) iatom,itype(iatom),x(iatom),y(iatom),
+ * z(iatom)
+
+c write(11,400)iatom, itype(iatom), x(iatom),y(iatom),
+c * z(iatom)
+
+c---- itype(iatom) = current atom being read
+c---- atype(i) = list of unique atom types
+
+ do 430 i=1,itycon
+ if (itype(iatom).eq.atype(i)) goto 440
+ 430 continue
+
+c---- increases itycon by one
+ itycon=itycon+1
+c---- icount(itycon)=0 prevents summation over all frames
+ icount(itycon)=0
+ atype(itycon)=itype(iatom)
+ ntype=itycon
+
+ 440 continue
+
+c---------------------------------TESTING.F
+
+
+ jframe=jframe+1
+ if(jframe.lt.iframe1) goto 9999
+ iframe=iframe+1
+ if(mod(iframe,100).eq.0) write(*,*) iframe, jframe
+
+ do 9997 i=1,natom
+
+
+c---- Added to change LAMMPS fractional coords to Cart.
+ xx=x(i) * acell
+ yy=y(i) * bcell
+ zz=(z(i)+zshift) * ccell
+c---- This section rescales atoms into the box
+
+ sx=acell*dnint(xx/acell-0.5)
+ xx=xx-sx
+ sy=bcell*dnint(yy/bcell-0.5)
+ yy=yy-sy
+ sz=ccell*dnint(zz/ccell-0.5)
+ zz=zz-sz
+
+ j=int(zz*yrc)+1
+ g(itype(i),j)=g(itype(i),j)+1.
+ icount(itype(i))=icount(itype(i))+1
+
+***************************************************************
+*** This part is now made universal
+***vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv
+ ix=int(xx*yra)+1
+ iy=int(yy*yrb)+1
+ do 777 imap=1,nmaps
+ if(itype(i).eq.mapid(imap)) then
+ if((zz.ge.amapmin(imap)).and.(zz.le.amapmax(imap))) then
+ smap(imap,ix,iy)=smap(imap,ix,iy)+1.
+
+
+
+c---------binning occurs here with smap count of atoms at given height
+ endif
+ endif
+ 777 continue
+
+ if(itype(i).eq.otype) then
+
+ xo=x(i)
+ yo=y(i)
+ zo=z(i)+zshift
+ xh1=x(i+1)
+ xh2=x(i+2)
+ yh1=y(i+1)
+ yh2=y(i+2)
+ zh1=z(i+1)+zshift
+ zh2=z(i+2)+zshift
+
+c sx=acell*dnint(xo/acell-0.5)
+c xo=xo-sx
+c xh1=xh1-sx
+c xh2=xh2-sx
+c sy=bcell*dnint(yo/bcell-0.5)
+c yo=xo-sy
+c yh1=yh1-sy
+c yh2=yh2-sy
+c sz=ccell*dnint(zo/ccell-0.5)
+c zo=zo-sz
+c zh1=zh1-sz
+c zh2=zh2-sz
+
+ j=int(zz*yrc)+1
+ dipxj=dipwat*(xh1+xh2-2*xo)
+ dipyj=dipwat*(yh1+yh2-2*yo)
+ dipzj=dipwat*(zh1+zh2-2*zo)
+ dipxyj=sqrt(dipxj**2+dipyj**2)
+ dipj=sqrt(dipxyj**2+dipzj**2)
+ if(abs(dipj).gt.3.5) write(*,*) 'dip',j,dipj
+ if(dipj.ne.0.) then
+ dipcj=dipxyj/dipj
+
+c if(dipcj.ge.1.) then
+c write(*,*) ' dipcj ',dipcj
+c dipcj=0.999999
+c elseif(dipcj.le.-1.) then
+c write(*,*) ' dipcj ',dipcj
+c dipcj=-0.999999
+c endif
+
+ adipzj=abs(dipzj)
+ if(adipzj.le.0.000001) then
+ write(*,*) j,' dipzj ',dipzj
+ dipaj=0.
+ else
+ dipaj=acos(dipcj)*dipzj/adipzj
+c dipaj=acosd(dipcj)*dipzj/adipzj
+
+c if(abs(dipaj).ge.89.) then
+c write(*,*) ' vertical dip mom:', dipaj
+c write(*,*) xo,yo,zo
+c write(*,*) xh1,yh1,zh1
+c write(*,*) xh2,yh2,zh2
+c endif
+ endif
+ endif
+
+ dipx(j)=dipx(j)+dipxj
+ dipy(j)=dipy(j)+dipyj
+ dipz(j)=dipz(j)+dipzj
+ dip (j)=dip (j)+dipj
+ dipc(j)=dipc(j)+dipcj
+ dipa(j)=dipa(j)+dipaj
+ ndip(j)=ndip(j)+1
+
+ jj=int(zz*yrc1)+1
+ kk=int((dipaj+90.)*yang)+1
+ angdis(kk,jj)=angdis(kk,jj)+1.
+
+ endif
+
+***^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+*** This part is now made universal
+***************************************************************
+
+ 9997 continue
+
+c endif
+ if(iframe.ge.iframe2) goto 999
+ go to 9999
+
+ 999 continue
+ close(9)
+
+ 667 format(3x,' After analysis of ',i6,' configurations: ')
+
+ write(11,667) iframe
+ write(12,667) iframe
+ write(13,667) iframe
+
+ fact=vol*yrc/(acell*bcell)
+ write(11,*) 'Normalization factor:',fact
+
+ write(11,800) (i,i=1,ntype)
+
+ write(11,'(70x,20i10)') (icount(i),i=1,ntype)
+
+ 800 format(' r ',
+ * ' dipX ',' dipY ',' dipZ ',
+ * ' |dip| ',' cos_dip',' ang_dip',
+ * 27i10)
+
+
+
+ do 206 i=1,1000
+ fi=dfloat(i)
+ rs1=(fi-0.5)/yrc
+ if(ndip(i).ne.0) then
+ dipx(i)=dipx(i)/ndip(i)
+ dipy(i)=dipy(i)/ndip(i)
+ dipz(i)=dipz(i)/ndip(i)
+ dip (i)=dip (i)/ndip(i)
+ dipc(i)=dipc(i)/ndip(i)
+ dipa(i)=dipa(i)/ndip(i)
+ endif
+c write(11,444) rs1,(g(j,i)*fact/icount(j),j=1,ntype),
+ write(11,444) rs1,dipx(i),dipy(i),dipz(i),
+ * dip(i),dipc(i),dipa(i),
+ * (g(j,i)*fact/iframe/1000.,j=1,ntype)
+ 206 continue
+ 444 format(3x, f7.3,26f10.5)
+
+ close(11)
+
+ do 1206 ii=1,nmaps
+ amamap(ii)=0.
+ 1206 continue
+
+ do 1205 k=1,nmaps
+ do 1204 i=1,50
+ do 1203 j=1,50
+ if (amamap(k).lt.smap(k,i,j)) amamap(k)=smap(k,i,j)
+ 1203 continue
+ 1204 continue
+ 1205 continue
+
+c write(12,446) acell,bcell,(amamap(i),i=1,nmaps)
+
+ write(12,336) (mapcom(i),mapid(i),colname(i),i=1,nmaps)
+ write(12,335) (colname(ii),ii=1,nmaps)
+
+ do 209 j=1,50
+ fj=float(j)
+ ra=(fj-0.5)/yra
+ do 210 k=1,50
+ fk=float(k)
+ rb=(fk-0.5)/yrb
+ do 211 i=1,nmaps
+ if(amamap(i).ne.0.) then
+ psmap(i)=smap(i,j,k)/amamap(i)
+ else
+ psmap(i)=0.
+ endif
+ 211 continue
+
+ write(12,446) ra,rb,(psmap(i),i=1,nmaps)
+
+ 210 continue
+ 209 continue
+
+ 446 format(42f8.3)
+ 335 format(//' ra rb ',40a8)
+ 336 format(1x,a40,': at.type - ',i5,'; col.title - ',a8)
+
+ write(12,*) (mapcom(i),i=1,nmaps)
+ write(12,'(a40)')(mapcom(i),i=1,nmaps)
+
+ close(12)
+
+ write(13,*) ' angle ',' z ',' angdis '
+ do 309 j=1,60
+ fj=float(j)
+ ang=(fj-0.5)/yang-90.
+ do 310 k=1,100
+ fk=float(k)
+ z1=(fk-0.5)/yrc1
+
+ write(13,446) ang,z1,angdis(j,k)/iframe
+
+ 310 continue
+ 309 continue
+
+
+ close(13)
+
+ stop
+ end
diff --git a/tools/micelle2d.f b/tools/micelle2d.f
new file mode 100644
index 0000000000..7bc879fcf9
--- /dev/null
+++ b/tools/micelle2d.f
@@ -0,0 +1,233 @@
+c Create LAMMPS 2003 input file for 2d LJ simulation of micelles
+c
+c Syntax: micelle2d < def.micelle2d > data.file
+c
+c def file contains size of system and number to turn into surfactants
+c attaches a random surfactant tail(s) to random head
+c if nonflag is set, will attach 2nd-neighbor bonds in surfactant
+c solvent atoms = type 1
+c micelle heads = type 2
+c micelle tails = type 3,4,5,etc.
+
+ program micelle2d
+ parameter (maxatom=100000,maxbond=10000)
+ real*4 x(2,maxatom)
+ integer type(maxatom),molecule(maxatom)
+ integer bondatom(2,maxbond),bondtype(maxbond)
+ common xprd,yprd,zprd,xboundlo,xboundhi,yboundlo,yboundhi,
+ $ zboundlo,zboundhi
+ 999 format (3i7,3f8.3)
+ 998 format (4i7)
+
+ read (5,*)
+ read (5,*)
+ read (5,*) rhostar
+ read (5,*) iseed
+ read (5,*) nx,ny
+ read (5,*) nsurf
+ read (5,*) r0
+ read (5,*) ntails
+ read (5,*) nonflag
+
+ natoms = nx*ny
+ if (natoms+nsurf*ntails.gt.maxatom) then
+ write (6,*) 'Too many atoms - boost maxatom'
+ call exit(0)
+ endif
+
+ nbonds = nsurf*ntails
+ if (nonflag.eq.1) nbonds = nbonds + nsurf*(ntails-1)
+ if (nbonds.gt.maxbond) then
+ write (6,*) 'Too many surfactants - boost maxbond'
+ call exit(0)
+ endif
+
+c box size
+
+ rlattice = (1.0/rhostar) ** 0.5
+
+ xboundlo = 0.0
+ xboundhi = nx*rlattice
+ yboundlo = 0.0
+ yboundhi = ny*rlattice
+ zboundlo = -0.1
+ zboundhi = 0.1
+
+ sigma = 1.0
+
+ xprd = xboundhi - xboundlo
+ yprd = yboundhi - yboundlo
+ zprd = zboundhi - zboundlo
+
+c initial square lattice of solvents
+
+ m = 0
+ do j = 1,ny
+ do i = 1,nx
+ m = m + 1
+ x(1,m) = xboundlo + (i-1)*rlattice
+ x(2,m) = yboundlo + (j-1)*rlattice
+ molecule(m) = 0
+ type(m) = 1
+ enddo
+ enddo
+
+c turn some into surfactants with molecule ID
+c head changes to type 2
+c create ntails for each head of types 3,4,...
+c each tail is at distance r0 away in straight line with random orientation
+
+ do i = 1,nsurf
+
+ 10 m = random(iseed)*natoms + 1
+ if (m.gt.natoms) m = natoms
+ if (molecule(m) .ne. 0) goto 10
+
+ molecule(m) = i
+ type(m) = 2
+
+ angle = random(iseed)*2.0*3.1415926
+ do j = 1,ntails
+ k = (i-1)*ntails + j
+ x(1,natoms+k) = x(1,m) + cos(angle)*j*r0*sigma
+ x(2,natoms+k) = x(2,m) + sin(angle)*j*r0*sigma
+ molecule(natoms+k) = i
+ type(natoms+k) = 2+j
+ call pbc(x(1,natoms+k),x(2,natoms+k))
+ if (j.eq.1) bondatom(1,k) = m
+ if (j.ne.1) bondatom(1,k) = natoms+k-1
+ bondatom(2,k) = natoms+k
+ bondtype(k) = 1
+ enddo
+
+ enddo
+
+c if nonflag is set, add (ntails-1) 2nd nearest neighbor bonds to end
+c of bond list
+c k = location in bondatom list where nearest neighbor bonds for
+c this surfactant are stored
+
+ if (nonflag.eq.1) then
+
+ nbonds = nsurf*ntails
+ do i = 1,nsurf
+ do j = 1,ntails-1
+ k = (i-1)*ntails + j
+ nbonds = nbonds + 1
+ bondatom(1,nbonds) = bondatom(1,k)
+ bondatom(2,nbonds) = bondatom(2,k+1)
+ bondtype(nbonds) = 2
+ enddo
+ enddo
+
+ endif
+
+c write LAMMPS data file
+
+ natoms = natoms + nsurf*ntails
+ nbonds = nsurf*ntails
+ if (nonflag.eq.1) nbonds = nbonds + nsurf*(ntails-1)
+ ntypes = 2 + ntails
+ nbondtypes = 1
+ if (nonflag.eq.1) nbondtypes = 2
+
+ if (nsurf.eq.0) then
+ ntypes = 1
+ nbondtypes = 0
+ endif
+
+ write (6,*) 'LAMMPS 2d micelle data file'
+ write (6,*)
+
+ write (6,*) natoms,' atoms'
+ write (6,*) nbonds,' bonds'
+ write (6,*) 0,' angles'
+ write (6,*) 0,' dihedrals'
+ write (6,*) 0,' impropers'
+ write (6,*)
+
+ write (6,*) ntypes,' atom types'
+ write (6,*) nbondtypes,' bond types'
+ write (6,*) 0,' angle types'
+ write (6,*) 0,' dihedral types'
+ write (6,*) 0,' improper types'
+ write (6,*)
+
+ write (6,*) xboundlo,xboundhi,' xlo xhi'
+ write (6,*) yboundlo,yboundhi,' ylo yhi'
+ write (6,*) zboundlo,zboundhi,' zlo zhi'
+
+ write (6,*)
+ write (6,*) 'Masses'
+ write (6,*)
+
+ do i = 1,ntypes
+ write (6,*) i,1.0
+ enddo
+
+ write (6,*)
+ write (6,*) 'Atoms'
+ write (6,*)
+
+ do i = 1,natoms
+ write (6,999) i,molecule(i),type(i),x(1,i),x(2,i),0.0
+ enddo
+
+ if (nsurf.gt.0) then
+
+ write (6,*)
+ write (6,*) 'Bonds'
+ write (6,*)
+
+ do i = 1,nbonds
+ write (6,998) i,bondtype(i),bondatom(1,i),bondatom(2,i)
+ enddo
+
+ endif
+
+c write Xmovie bond geometry file
+
+ open(1,file='bond.micelle')
+
+ write (1,*) 'ITEM: BONDS'
+ do i = 1,nbonds
+ write (1,*) bondtype(i),bondatom(1,i),bondatom(2,i)
+ enddo
+
+ close(1)
+
+ end
+
+
+c ************
+c Subroutines
+c ************
+
+c periodic boundary conditions - map atom back into periodic box
+
+ subroutine pbc(x,y)
+ common xprd,yprd,zprd,xboundlo,xboundhi,yboundlo,yboundhi,
+ $ zboundlo,zboundhi
+
+ if (x.lt.xboundlo) x = x + xprd
+ if (x.ge.xboundhi) x = x - xprd
+ if (y.lt.yboundlo) y = y + yprd
+ if (y.ge.yboundhi) y = y - yprd
+
+ return
+ end
+
+
+c RNG - compute in double precision, return single
+
+ real*4 function random(iseed)
+ real*8 aa,mm,sseed
+ parameter (aa=16807.0D0,mm=2147483647.0D0)
+
+ sseed = iseed
+ sseed = mod(aa*sseed,mm)
+ random = sseed/mm
+ iseed = sseed
+
+ return
+ end
diff --git a/tools/msi2lmp/README b/tools/msi2lmp/README
new file mode 100644
index 0000000000..a70a67b84b
--- /dev/null
+++ b/tools/msi2lmp/README
@@ -0,0 +1,132 @@
+
+ msi2lmp V3.6 4/10/2005
+
+ This program uses the .car and .mdf files from MSI/Biosyms's INSIGHT
+ program to produce a LAMMPS data file.
+
+ 1. Building msi2lmp3
+
+ Use the Makefile in the src directory. It is
+ currently set up for gcc. One will have to modify
+ it to use a different compiler.
+
+ 2. Testing the program
+
+ There are three pairs (.car and .mdf) files in the
+ test directory: crambin, nylon and phen3_cff97. The
+ atom types in crambin and nylon are cvff (Class I) atom
+ types and those in phen3_cff97 are cff9x (Class II) atom types.
+ Two forcefield files, cvff.frc and cff91.frc, are needed
+ generate lammps data files for these three test files. To
+ run it you would:
+
+ % setenv BIOSYM_LIBRARY ../biosym_frc_files
+ % ../src/msi2lmp.exe nylon -class I -frc cvff > data.nylon
+ % ../src/msi2lmp.exe crambin -class I -frc cvff > data.crambin
+ % ../src/msi2lmp.exe phen3_cff97 -class II -frc cff91 > data.phen3_cff97
+
+ Three files should be generated: data.nylon, data.crambin
+ and data.phen3_cff97. These can be compared against
+ data.x in the directory correct. If there are differences,
+ first recompile the program with no optimization and try again.
+ If there are still differences, send email to jec@mayo.edu
+
+ Note: you will see many "Unable to find..." parameters messages
+ in the phen3_cff97 test case. Most of those parameters
+ exist in cff95.frc, but not in cff91.frc
+
+ 3. To run the program
+
+ The program is started by supplying information at the command prompt
+ according to the usage described below.
+
+ USAGE: msi2lmp.exe ROOTNAME {-2001} {-print #} {-class #} {-frc FRC_FILE}
+
+ -- msi2lmp.exe is the name of the executable
+ -- ROOTNAME is the base name of the .car and .mdf files
+ -- -2001
+ Output lammps files for LAMMPS version 2001 (F90 version)
+ The default is for LAMMPS 2005 (C++ version)
+ -- -print
+ # is the print level 0 - silent except for error messages
+ 1 - minimal (default)
+ 2 - verbose (usual for developing and
+ checking new data files for consistency)
+ -- -class
+ # is the class of forcefield to use (I = Class I e.g., CVFF)
+ (II = Class II e.g., CFFx )
+ default is -class I
+
+ -- -frc - specifies name of the forcefield file (e.g., cff91)
+
+ If the name includes a hard wired directory (i.e., if the name
+ starts with . or /), then the name is used alone. Otherwise,
+ the program looks for the forcefield file in $BIOSYM_LIBRARY.
+ If $BIOSYM_LIBRARY is not set, then the current directory is
+ used.
+
+ If the file name does not include a dot after the first
+ character, then .frc is appended to the name.
+
+ For example, -frc cvff (assumes cvff.frc is in $BIOSYM_LIBRARY
+ or .)
+
+ -frc cff/cff91 (assumes cff91.frc is in
+ $BIOSYM_LIBRARY/cff or ./cff)
+
+ -frc /usr/local/biosym/forcefields/cff95 (absolute
+ location)
+
+ By default, the program uses $BIOSYM_LIBRARY/cvff.frc
+
+ -- the LAMMPS data file is written to ROOTNAME.lammps{01/05}
+ commentary is written to standard error.
+
+
+****************************************************************
+*
+* Msi2lmp3
+*
+* This is the third version of a program that generates a LAMMPS
+* data file based on the information in MSI .car (atom
+* coordinates), .mdf (molecular topology) and .frc (forcefield)
+* files. The .car and .mdf files are specific to a molecular
+* system while the .frc file is specific to a forcefield version.
+* The only coherency needed between .frc and .car/.mdf files are
+* the atom types.
+*
+* The first version was written by Steve Lustig at Dupont, but
+* required using Discover to derive internal coordinates and
+* forcefield parameters
+*
+* The second version was written by Michael Peachey while an
+* intern in the Cray Chemistry Applications Group managed
+* by John Carpenter. This version derived internal coordinates
+* from the mdf file and looked up parameters in the frc file
+* thus eliminating the need for Discover.
+*
+* The third version was written by John Carpenter to optimize
+* the performance of the program for large molecular systems
+* (the original code for deriving atom numbers was quadratic in time)
+* and to make the program fully dynamic. The second version used
+* fixed dimension arrays for the internal coordinates.
+*
+* The current maintainer is only reluctantly doing so because John Mayo no longer
+* needs this code.
+*
+* V3.2 corresponds to adding code to MakeLists.c to gracefully deal with
+* systems that may only be molecules of 1 to 3 atoms. In V3.1, the values
+* for number_of_dihedrals, etc. could be unpredictable in these systems.
+*
+* V3.3 was generated in response to a strange error reading a MDF file generated by
+* Accelys' Materials Studio GUI. Simply rewriting the input part of ReadMdfFile.c
+* seems to have fixed the problem.
+*
+* V3.4 and V3.5 are minor upgrades to fix bugs associated mostly with .car and .mdf files
+* written by Accelys' Materials Studio GUI.
+*
+* V3.6 outputs to LAMMPS 2005 (C++ version).
+*
+* Contact: Kelly L. Anderson, kelly.anderson@cantab.net
+*
+* April 2005
diff --git a/tools/msi2lmp/biosym_frc_files/README b/tools/msi2lmp/biosym_frc_files/README
new file mode 100644
index 0000000000..2d7dcd784c
--- /dev/null
+++ b/tools/msi2lmp/biosym_frc_files/README
@@ -0,0 +1,5 @@
+
+Copy cvff.frc and cff9*.frc or any other
+.frc files you have licensed to this
+directory for use with msi2lmp.
+
diff --git a/tools/msi2lmp/biosym_frc_files/cff91.frc b/tools/msi2lmp/biosym_frc_files/cff91.frc
new file mode 100644
index 0000000000..9aa071c313
--- /dev/null
+++ b/tools/msi2lmp/biosym_frc_files/cff91.frc
@@ -0,0 +1,4758 @@
+!BIOSYM forcefield 1
+
+#version cff91_2.frc 2.0 01-Jul-92
+
+#define cff91
+
+> This is the class II cff91 forcefield
+
+!Ver Ref Function Label
+!---- --- --------------------------------- ------
+ 1.0 1 atom_types cff91
+ 1.0 1 equivalence cff91
+ 1.0 1 quartic_bond cff91
+ 1.0 1 quartic_angle cff91
+ 1.0 1 bond-bond cff91
+ 1.0 1 bond-angle cff91
+ 1.0 1 torsion_3 cff91
+ 1.0 1 angle-angle-torsion_1 cff91
+ 1.0 1 end_bond-torsion_3 cff91
+ 1.0 1 middle_bond-torsion_3 cff91
+ 1.0 1 angle-torsion_3 cff91
+ 1.0 1 torsion-torsion_1 cff91
+ 2.0 2 wilson_out_of_plane cff91 cff91_auto
+ 1.0 1 angle-angle cff91
+ 1.0 1 bond-bond_1_3 cff91
+ 2.0 2 auto_equivalence cff91_auto
+ 2.0 2 quadratic_bond cff91_auto
+ 2.0 2 quadratic_angle cff91_auto
+ 2.0 2 torsion_1 cff91_auto
+ 2.0 2 nonbond(9-6) cff91
+ 2.0 2 bond_increments cff91
+
+
+
+
+#atom_types cff91
+
+> Atom type definitions for any variant of cff91
+> Masses from CRC 1973/74 pages B-250.
+
+!Ver Ref Type Mass Element Connection Comment
+!---- --- ---- ---------- ------- -----------------------------------------
+ 1.0 1 c 12.01115 C 4 generic SP3 carbon
+ 1.0 1 c3 12.01115 C 4 sp3 carbon with 3 hHs 1 heavy
+ 1.0 1 c2 12.01115 C 4 sp3 carbon with 2 H's, 2 Heavy's
+ 1.0 1 co 12.01115 C 4 sp3 carbon in acetals
+ 1.0 1 c3m 12.01115 C 4 sp3 carbon in 3-membered ring
+ 1.0 1 c4m 12.01115 C 4 sp3 carbon in 4-membered ring
+ 2.0 1 coh 12.01115 C 4 sp3 carbon in acetals with hydrogen
+ 2.0 2 c3h 12.01115 C 4 sp3 carbon in 3-membered ring with hydrogens
+ 2.0 2 c4h 12.01115 C 4 sp3 carbon in 4-membered ring with hydrogens
+ 1.0 1 c1 12.01115 C 4 sp3 carbon with 1 H 3 heavies
+ 1.0 1 ca 12.01115 C 4 general amino acid alpha carbon (sp3)
+ 1.0 1 cg 12.01115 C 4 sp3 alpha carbon in glycine
+ 1.0 1 c= 12.01115 C 3 non aromatic end doubly bonded carbon
+ 2.0 3 c=1 12.01115 C 3 non aromatic, next to end doubly bonded carbon
+ 2.0 3 c=2 12.01115 C 3 non aromatic doubly bonded carbon
+ 2.0 4 c* 12.01115 C 3 carbon in carbonyl group, non_amides
+ 1.0 1 c" 12.01115 C 3 carbon in carbonyl group, non_amides
+ 1.0 1 c' 12.01115 C 3 carbon in carbonyl group of amides
+ 1.0 1 cp 12.01115 C 3 sp2 aromatic carbon
+ 1.0 1 c5 12.01115 C 3 sp2 aromatic carbon in 5-membered ring
+ 1.0 1 c- 12.01115 C 3 C in charged carboxylate
+ 1.0 1 cr 12.01115 C 3 C in neutral arginine
+ 1.0 1 c+ 12.01115 C 3 C in guanidinium group
+ 1.0 1 cs 12.01115 C 3 sp2 aromatic carbon in 5 membered ring next to S
+ 1.0 1 ci 12.01115 C 3 sp2 aromatic carbon in charged imidazole ring (His+)
+ 1.0 1 ct 12.01115 C 2 sp carbon involved in a triple bond
+ 2.0 6 ct2 12.01115 C 2 sp carbon in CO2
+ 1.0 1 na 14.00670 N 3 sp3 nitrogen in amines
+ 1.0 1 n3m 14.00670 N 3 sp3 nitrogen in 3- membered ring
+ 1.0 1 n4m 14.00670 N 3 sp3 nitrogen in 4- membered ring
+ 2.0 2 n3n 14.00670 N 3 sp2 nitrogen in 3- membered ring
+ 2.0 2 n4n 14.00670 N 3 sp2 nitrogen in 4- membered ring
+ 1.0 1 nb 14.00670 N 3 sp2 nitrogen in aromatic amines
+ 1.0 1 nn 14.00670 N 3 sp2 nitrogen in aromatic amines
+ 1.0 1 n 14.00670 N 3 generic sp2 nitrogen (in amids))
+ 1.0 1 np 14.00670 N 2 sp2 nitrogen in 5- or 6- membered ring
+ 2.0 2 npc 14.00670 N 3 sp2 nitrogen in 5- or 6- membered ring bonded to a heavy atom
+ 1.0 1 nh 14.00670 N 3 sp2 nitrogen in 5-or 6- membered ring with hydrogen attached
+ 2.0 2 nho 14.00670 N 3 sp2 nitrogen in 6- membered ring next to a carbonyl group and with a hydrogen
+ 2.0 2 nh+ 14.00670 N 3 protonated nitrogen in 6- membered ring with hydrogen attached
+ 1.0 1 n+ 14.00670 N 4 sp3 nitrogen in protonated amines
+ 1.0 1 n4 14.00670 N 4 sp3 nitrogen in protonated amines
+ 1.0 1 nr 14.00670 N 3 sp2 nitrogen (NH2) in guanidinium group (HN=C(NH2)2)
+ 1.0 1 n= 14.00670 N 2 non aromatic end doubly bonded nitrogen
+ 2.0 3 n=1 14.00670 N 2 non aromatic, next to end doubly bonded carbon
+ 2.0 3 n=2 14.00670 N 2 non aromatic doubly bonded nitrogen
+ 1.0 1 ni 14.00670 N 3 nitrogen in charged imidazole ring
+ 1.0 1 n1 14.00670 N 3 sp2 nitrogen in charged arginine
+ 1.0 1 n2 14.00670 N 3 sp2 nitrogen (NH2) in guanidinium group (HN=C(NH2)2)
+ 1.0 1 nt 14.00670 N 1 sp nitrogen involved in a triple bond
+ 1.0 1 nz 14.00670 N 1 sp nitrogen in N2
+ 1.0 1 o 15.99940 O 2 generic SP3 oxygen
+ 1.0 1 oh 15.99940 O 2 oxygen bonded to hydrogen
+ 1.0 1 oc 15.99940 O 2 sp3 oxygen in ether or acetals
+ 1.0 1 oe 15.99940 O 2 sp3 oxygen in ester
+ 1.0 1 o3e 15.99940 O 2 sp3 oxygen in three membered ring
+ 1.0 1 o4e 15.99940 O 2 sp3 oxygen in four membered ring
+ 1.0 1 o' 15.99940 O 1 oxygen in carbonyl group
+ 1.0 1 op 15.99940 O 2 sp2 aromatic in 5 membered ring
+ 1.0 1 o* 15.99940 O 2 oxygen in water
+ 1.0 1 o- 15.99940 O 1 partial double oxygen bonded to something then bonded to another
+! partial double oxygen
+ 1.0 1 h 1.007970 H 1 generic hydrogen bound to C, Si,or H
+ 1.0 1 h* 1.007970 H 1 hydrogen bonded to nitrogen, Oxygen
+ 1.0 1 h+ 1.007970 H 1 charged hydrogen in cations
+ 1.0 1 hs 1.007970 H 1 hydrogen bonded to sulfur
+ 1.0 1 hc 1.007970 H 1 hydrogen bonded to carbon
+ 1.0 1 hp 1.007970 H 1 hydrogen bonded to phosphorus
+ 1.0 1 ho 1.007970 H 1 hydrogen bonded to oxygen
+ 1.0 1 hn 1.007970 H 1 hydrogen bonded to nitrogen
+ 1.0 1 hi 1.007970 H 1 Hydrogen in charged imidazole ring
+ 1.0 1 hw 1.007970 H 1 hydrogen in water
+ 1.0 1 dw 2.014000 D 1 deuterium in heivy water
+ 1.0 1 s 32.06400 S 2 sp3 sulfur
+ 1.0 1 sc 32.06400 S 2 sp3 sulfur in methionines (C-S-C) group
+ 2.0 2 s3e 32.06400 S 2 sulfur in three membered ring
+ 2.0 2 s4e 32.06400 S 2 sulfur in four membered ring
+ 1.0 1 s1 32.06400 S 2 sp3 sulfur involved in (S-S) group of disulfides
+ 1.0 1 sh 32.06400 S 2 sp3 sulfur in sulfhydryl (-SH) group (e.g. cysteine)
+ 1.0 1 sp 32.06400 S 2 sulfur in an aromatic ring (e.g. thiophene)
+ 1.0 1 s' 32.06400 S 1 S in thioketone group
+ 1.0 1 s- 32.06400 S 1 partial double sulfur bonded to something then bonded to another
+! partial double oxygen or sulfur
+ 1.0 1 p 30.97380 P 4 general phosphorous atom
+ 1.0 1 si 28.08600 Si 4 silicon atom
+ 1.0 1 ca+ 40.08000 Ca 1 calcium ion
+ 1.0 1 f 18.99840 F 1 fluorine atom
+ 1.0 1 cl 35.45300 Cl 1 chlorine atom
+ 1.0 1 Cl 35.45300 Cl 1 chlorine ion
+ 1.0 1 br 79.90900 Br 1 bromine atom
+ 1.0 1 Br 79.90900 Br 1 bromine ion
+ 1.0 1 i 126.9044 I 1 iodine atom
+ 1.0 1 Na 22.98980 Na 1 sodium ion
+ 1.0 1 lp 1.000000 L 1 lone pair
+ 1.0 1 ar 39.94800 Ar 0 Argon atom
+
+
+#equivalence cff91
+
+
+! Equivalences
+! -----------------------------------------
+!Ver Ref Type NonB Bond Angle Torsion OOP
+!---- --- ---- ---- ---- ----- ------- ----
+ 1.0 1 h h h h h h
+ 1.0 1 hs h h h h h
+ 1.0 1 hc h h h h h
+ 1.0 1 hp h h h h h
+ 1.0 1 h* h* h* h* h* h*
+ 1.0 1 hn h* h* h* h* h*
+ 1.0 1 hi h* hi h* h* h*
+ 1.0 1 ho h* h* h* h* h*
+ 1.0 1 hw h* h* h* h* h*
+ 1.0 1 h+ h+ h+ h+ h+ h+
+ 1.0 1 dw h* h* h* h* h*
+ 1.0 1 c c c c c c
+ 1.0 1 c3 c c c c c
+ 1.0 1 c2 c c c c c
+ 1.0 1 co c c c c c
+ 1.0 1 c3m c c c c c
+ 1.0 1 c4m c c c c c
+ 2.0 2 coh c c c c c
+ 2.0 2 c3h c c c c c
+ 2.0 2 c4h c c c c c
+ 1.0 1 c1 c c c c c
+ 1.0 1 ca c c c c c
+ 1.0 1 cg c c c c c
+ 1.0 1 c= c= c= c= c= c=
+ 2.0 3 c=1 c= c=1 c= c=1 c=
+ 2.0 3 c=2 c= c=2 c= c=2 c=
+ 2.0 4 c* c* c* c* c* c*
+ 2.0 4 c" c* c* c* c* c*
+ 1.0 1 c' c' c' c' c' c'
+ 1.0 1 cp cp cp cp cp cp
+ 1.0 1 c5 cp cp cp cp cp
+ 1.0 1 cs cp cp cp cp cp
+ 1.0 1 ci cp cp cp cp cp
+ 1.0 1 cr cr cr cr cr cr
+ 1.0 1 c+ c+ c+ c+ c+ c+
+ 1.0 1 c- c- c- c- c- c-
+ 2.0 7 ct c= ct ct ct ct
+ 2.0 6 ct2 c= ct2 ct2 ct2 ct2
+ 1.0 1 n n n n n n
+ 2.0 2 n3n n n n n n
+ 2.0 2 n4n n n n n n
+ 1.0 1 na na na na na na
+ 1.0 1 n3m na na na na na
+ 1.0 1 n4m na na na na na
+ 1.0 1 nn nn nn nn nn nn
+ 1.0 1 nb nn nn nn nn nn
+ 1.0 1 n+ n+ n+ n+ n+ n+
+ 1.0 1 n4 n+ n+ n+ n+ n+
+ 1.0 1 np np np np np np
+ 2.0 2 npc nh nh nh nh nh
+ 1.0 1 nh nh nh nh nh nh
+ 2.0 2 nho nh nh nh nh nh
+ 2.0 2 nh+ nh nh+ nh nh nh
+ 1.0 1 nr nr nr nr nr nr
+ 1.0 1 n2 nr nr nr nr nr
+ 1.0 1 n= n= n= n= n= n=
+ 1.0 1 n=1 n= n=1 n= n=1 n=
+ 1.0 1 n=2 n= n=2 n= n=2 n=
+ 1.0 1 n1 nr nr nr nr nr
+ 1.0 1 ni nh nh nh nh nh
+ 2.0 5 nt n= nt nt nt nt
+ 1.0 10 nz n= nz nz nz nz
+ 1.0 1 o' o' o' o' o' o'
+ 1.0 1 op op op op op op
+ 1.0 1 o o o o o o
+ 1.0 1 oc o o o o o
+ 1.0 1 oe o o o o o
+ 1.0 1 o3e o o o o o
+ 1.0 1 o4e o o o o o
+ 1.0 1 o- o- o- o- o- o-
+ 1.0 1 o* o* o* o* o* o*
+ 1.0 1 oh o o o o o
+ 1.0 1 s s s s s s
+ 1.0 1 sc s s s s s
+ 2.0 2 s3e s s s s s
+ 2.0 2 s4e s s s s s
+ 1.0 1 s1 s s s s s
+ 1.0 1 sh s s s s s
+ 1.0 1 sp sp sp sp sp sp
+ 1.0 11 s' sp s' s' s' s'
+ 1.0 11 s- sp s- s- s- s-
+ 1.0 1 p p p p p p
+ 1.0 1 pz p p p p p
+ 1.0 1 f f f f f f
+ 1.0 1 i i i i i i
+ 1.0 1 cl cl cl cl cl cl
+ 1.0 1 br br br br br br
+ 1.0 1 si si si si si si
+ 1.0 1 sz sz sz sz sz sz
+ 1.0 1 nu nu nu nu nu nu
+ 1.0 1 Cl Cl Cl Cl Cl Cl
+ 1.0 1 Br Br Br Br Br Br
+ 1.0 1 Na Na Na Na Na Na
+ 1.0 1 ar ar ar ar ar ar
+ 2.0 9 ca+ ca+ ca+ ca+ ca+ ca+
+
+
+
+
+#auto_equivalence cff91_auto
+
+! Equivalences
+! -----------------------------------------
+!Ver Ref Type NonB Bond Bond Angle Angle Torsion Torsion OOP OOP
+! Inct End atom Apex atom End Atoms Center Atoms End Atom Center Atom
+!---- --- ---- ---- ------ ---- ---------- --------- --------- ----------- -------- -----------
+ 2.0 2 h h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 d h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 hc h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 hn h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 ho h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 hp h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 hs h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 h* h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 hw h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 hi h* hi h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 h+ h+ h+ h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 dw h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 2 c c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 2 cg c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 2 ca c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 2 c3 c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 2 cn c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 2 c2 c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 2 c1 c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 2 co c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 2 c3m c c c3m_ c3m_ c3m_ c_ c_ c_ c_
+ 2.0 2 c4m c c c4m_ c4m_ c4m_ c_ c_ c_ c_
+ 2.0 2 coh c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 2 c3h c c c3m_ c3m_ c3m_ c_ c_ c_ c_
+ 2.0 2 c4h c c c4m_ c4m_ c4m_ c_ c_ c_ c_
+ 2.0 2 cp cp cp cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 2 c5 cp cp cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 2 cs cp cp cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 2 ci cp ci cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 4 c* c* c* c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 4 c" c* c* c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 2 c' c' c' c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 2 cr cr cr cr_ c_ c'_ c_ c=_3 c_ c'_
+ 2.0 2 c- c- c- c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 2 c+ c+ c+ cr_ c_ c'_ c_ c+_ c_ c'_
+ 2.0 2 c= c= c= c=_3 c_ c=_ c_ c=_3 c_ c=_
+ 2.0 2 c=1 c= c= c=_1 c_ c=_ c_ c=_1 c_ c=_
+ 2.0 2 c=2 c= c= c=_2 c_ c=_ c_ c=_2 c_ c=_
+ 2.0 7 ct c= ct ct_ c_ ct_ c_ ct_ c_ ct_
+ 2.0 6 ct2 c= ct ct2_ c_ ct2_ c_ ct_ c_ ct_
+ 2.0 2 na na na na_ n_ na_ n_ na_ n_ na_
+ 2.0 2 n3m na na n3m_ n3m_ n3m_ n_ na_ n_ na_
+ 2.0 2 n4m na na n4m_ n4m_ n4m_ n_ na_ n_ na_
+ 2.0 2 np np np np_ n_ np_ n_ np_ n_ np_
+ 2.0 2 npc nh nh np_ n_ np_ n_ np_ n_ np_
+ 2.0 2 nh nh nh np_ n_ np_ n_ np_ n_ np_
+ 2.0 2 nho nh nh np_ n_ np_ n_ np_ n_ np_
+ 2.0 2 nh+ nh nh+ np_ n_ np_ n_ np_ n_ np_
+ 2.0 2 ni nh nh np_ n_ np_ n_ np_ n_ np_
+ 2.0 2 nn nn nn na_ n_ n_ n_ n_ n_ n_
+ 2.0 2 nb nn nn np_ n_ n_ n_ n_ n_ n_
+ 2.0 2 n+ n+ n+ n+_ n_ na_ n_ na_ n_ na_
+ 2.0 2 n4 n+ n+ n+_ n_ na_ n_ na_ n_ na_
+ 2.0 2 n n n n_ n_ n_ n_ n_ n_ n_
+ 2.0 2 n3n n n n3m_ n3m_ n3m_ n_ n3n_ n_ n_
+ 2.0 2 n4n n n n4m_ n4m_ n4m_ n_ n_ n_ n_
+ 2.0 2 nr nr nr n_ n_ n_ n_ n_ n_ nr_
+ 2.0 2 n2 nr nr n_ n_ n_ n_ n_ n_ nr_
+ 2.0 2 n1 nr nr n_ n_ n_ n_ n_ n_ nr_
+ 2.0 2 n= n= n= n=_3 n_ n_ n_ n=_3 n_ n=_
+ 2.0 2 n=1 n= n= n=_1 n_ n_ n_ n=_1 n_ n=_
+ 2.0 2 n=2 n= n= n=_2 n_ n_ n_ n=_2 n_ n=_
+ 2.0 2 nt nt nt nt_ n_ nt_ n_ nt_ n_ nt_
+ 2.0 2 nz nz nz nz_ n_ nz_ n_ nz_ n_ nz_
+ 2.0 2 o o o o_ o_ o_ o_ o_ o_ o_
+ 2.0 2 o* o* o* o_ o_ o*_ o_ o_ o_ o_
+ 2.0 2 oh o o o_ o_ o_ o_ o_ o_ o_
+ 2.0 2 oc o o o_ o_ o_ o_ o_ o_ o_
+ 2.0 2 oe o o o_ o_ o_ o_ o_ o_ o_
+ 2.0 2 o3e o o o3e_ o3e_ o3e_ o_ o_ o_ o_
+ 2.0 2 o4e o o o4e_ o4e_ o4e_ o_ o_ o_ o_
+ 2.0 2 op op op op_ o_ op_ o_ o_ o_ op_
+ 2.0 2 o' o' o' o'_ o'_ o_ o_ o_ o_ o_
+ 2.0 2 o- o- o- o-_ o'_ o_ o_ o_ o_ o_
+ 2.0 2 s s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 2 s' s s' s'_ s'_ s_ s_ s_ s_ s_
+ 2.0 2 s- s s- s-_ s'_ s_ s_ s_ s_ s_
+ 2.0 2 sc s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 2 s3e s s s3e_ s3e_ s3e_ s_ s_ s_ s_
+ 2.0 2 s4e s s s4e_ s4e_ s4e_ s_ s_ s_ s_
+ 2.0 2 s1 s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 2 sh s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 2 sp sp sp sp_ s_ sp_ s_ sp_ s_ sp_
+ 2.0 2 p p p p_ p_ p_ p_ p_ p_ p_
+ 2.0 2 pz p p p_ p_ p_ p_ p_ p_ p_
+ 2.0 2 f f f f_ f_ f_ f_ f_ f_ f_
+ 2.0 2 i i i i_ f_ i_ i_ i_ i_ i_
+ 2.0 2 cl cl cl cl_ f_ cl_ cl_ cl_ cl_ cl_
+ 2.0 2 br br br br_ f_ br_ br_ br_ br_ br_
+ 2.0 2 si si si si_ si_ si_ si_ si_ si_ si_
+ 2.0 2 sz sz sz sz_ sz_ sz_ sz_ sz_ sz_ sz_
+ 2.0 2 nu nu nu nu_ nu_ nu_ nu_ nu_ nu_ nu_
+ 2.0 2 Cl Cl Cl Cl_ Cl_ Cl_ Cl_ Cl_ Cl_ Cl_
+ 2.0 2 Br Br Br Br_ Br_ Br_ Br_ Br_ Br_ Br_
+ 2.0 2 Na Na Na Na_ Na_ Na_ Na_ Na_ Na_ Na_
+ 2.0 2 ar ar ar ar_ ar_ ar_ ar_ ar_ ar_ ar_
+ 2.0 9 ca+ ca+ ca+ ca+_ ca+_ ca+_ ca+_ ca+_ ca+_ ca+_
+
+
+
+
+
+#quartic_bond cff91
+
+> E = K2 * (R - R0)^2 + K3 * (R - R0)^3 + K4 * (R - R0)^4
+
+!Ver Ref I J R0 K2 K3 K4
+!---- --- ---- ---- ------- -------- --------- --------
+ 1.0 1 c h 1.1010 341.0000 -691.8900 844.6000
+ 1.0 1 c c 1.5330 299.6700 -501.7700 679.8100
+ 1.0 1 c= c= 1.3521 545.2663 -1005.6330 1225.7415
+ 2.0 3 c= c=1 1.3521 545.2663 -1005.6330 1225.7415
+ 2.0 3 c= c=2 1.3521 545.2663 -1005.6330 1225.7415
+ 1.0 1 c c= 1.5060 312.3517 -582.1861 339.8971
+ 2.0 3 c c=1 1.5060 312.3517 -582.1861 339.8971
+ 2.0 3 c c=2 1.5060 312.3517 -582.1861 339.8971
+ 1.0 1 c= h 1.0883 365.7679 -725.5404 781.6621
+ 2.0 3 c=1 h 1.0883 365.7679 -725.5404 781.6621
+ 2.0 3 c=2 h 1.0883 365.7679 -725.5404 781.6621
+ 1.0 1 c o 1.4200 400.3954 -835.1951 1313.0142
+ 1.0 1 h* o 0.9650 532.5062 -1282.9050 2004.7658
+ 1.0 1 c na 1.4570 365.8052 -699.6368 998.4842
+ 1.0 1 h* na 1.0060 466.7400 -1073.6018 1251.1056
+ 1.0 1 c s 1.8230 225.2768 -327.7057 488.9722
+ 1.0 1 h s 1.3261 275.1123 -531.3181 562.9630
+ 1.0 1 s s 2.0559 197.6560 -196.1366 644.4103
+ 1.0 4 c c* 1.5140 312.3719 -465.8290 473.8300
+ 1.0 4 c* h 1.1220 304.8631 -623.3705 700.2828
+ 1.0 4 c* o' 1.2160 823.7948 -1878.7940 2303.5311
+ 1.0 4 c* o 1.3649 368.7309 -832.4784 1274.0231
+ 1.0 1 c' o' 1.2195 820.7018 -1875.1000 2303.7600
+ 1.0 1 c' n 1.4160 359.1591 -558.4730 1146.3810
+ 1.0 1 c c' 1.5202 253.7067 -423.0370 396.9000
+ 1.0 1 c n 1.4520 327.1657 -547.8990 526.5000
+ 1.0 1 h* n 1.0100 462.7500 -1053.6300 1545.7570
+ 1.0 1 c' h 1.1110 325.5717 -632.1990 726.0003
+ 1.0 1 cp cp 1.4314 356.0904 -627.6179 1327.6345
+ 1.0 1 cp h 1.0862 377.7644 -803.4526 894.3173
+ 1.0 1 cp np 1.3485 508.8587 -977.6914 1772.5134
+ 1.0 1 np np 1.3121 513.0111 -873.6366 1634.3437
+ 1.0 1 h* nh 1.0053 463.9230 -1050.8070 1284.7262
+ 1.1 1 hi nh 1.0053 463.9230 -1050.8070 1284.7262
+ 1.0 1 cp nh 1.3749 477.5202 -848.5592 1022.3909
+ 1.0 1 nh np 1.3204 646.7598 -1639.8800 6799.7099
+ 1.0 1 cp op 1.3597 547.5169 -834.0665 544.3090
+ 1.0 1 cp sp 1.7053 364.2568 -457.7758 291.1498
+ 1.0 1 cp o 1.3768 428.8798 -738.2351 1114.9655
+ 1.0 1 c cp 1.5010 321.9021 -521.8208 572.1628
+ 1.0 1 cp nn 1.3912 447.0438 -784.5346 886.1671
+ 1.0 1 h* nn 1.0012 465.8608 -1066.2360 1496.5647
+ 1.0 1 h+ n+ 1.0119 448.6300 -963.1917 1248.4000
+ 1.0 1 c n+ 1.5185 293.1700 -603.7882 629.6900
+ 1.0 1 c c- 1.5483 253.0800 -449.0300 457.3200
+ 1.0 1 c- o- 1.2339 711.3500 -1543.9000 1858.6000
+ 1.0 1 c- h 1.1331 241.0600 -574.7800 853.7500
+ 1.0 1 c+ nr 1.3834 380.4600 -814.4300 1153.3000
+ 1.0 1 h* nr 1.0023 462.3900 -1044.6000 1468.7000
+ 1.0 1 c nr 1.4695 340.2400 -589.4800 854.5300
+ 1.1 1 nr cr 1.3200 388.0000 0.0000 0.0000
+ 1.1 1 n= cr 1.2600 560.0000 0.0000 0.0000
+ 2.0 3 n=1 cr 1.2600 560.0000 0.0000 0.0000
+ 2.0 3 n=2 cr 1.2600 560.0000 0.0000 0.0000
+ 1.1 1 n= c 1.4750 336.0000 0.0000 0.0000
+ 2.0 3 n=1 c 1.4750 336.0000 0.0000 0.0000
+ 2.0 3 n=2 c 1.4750 336.0000 0.0000 0.0000
+ 1.1 3 h* o* 0.9700 563.2800 -1428.2200 1902.1200
+
+
+
+#quartic_angle cff91
+
+> Delta = Theta - Theta0
+> E = K2 * Delta^2 + K3 * Delta^3 + K4 * Delta^4
+
+!Ver Ref I J K Theta0 K2 K3 K4
+!---- --- ---- ---- ---- -------- ------- -------- --------
+ 1.0 1 h c h 107.6600 39.6410 -12.9210 -2.4318
+ 1.0 1 c c h 110.7700 41.4530 -10.6040 5.1290
+ 1.0 1 c c c 112.6700 39.5160 -7.4430 -9.5583
+ 1.0 1 c c= c= 126.2600 43.8250 -27.7266 1.0056
+ 2.0 3 c c= c=1 126.2600 43.8250 -27.7266 1.0056
+ 2.0 3 c c= c=2 126.2600 43.8250 -27.7266 1.0056
+ 2.0 3 c c=1 c= 126.2600 43.8250 -27.7266 1.0056
+ 2.0 3 c c=1 c=1 126.2600 43.8250 -27.7266 1.0056
+ 2.0 3 c c=1 c=2 126.2600 43.8250 -27.7266 1.0056
+ 2.0 3 c c=2 c= 126.2600 43.8250 -27.7266 1.0056
+ 2.0 3 c c=2 c=1 126.2600 43.8250 -27.7266 1.0056
+ 2.0 3 c c=2 c=2 126.2600 43.8250 -27.7266 1.0056
+ 1.0 1 c= c= h 124.8800 35.2766 -17.7740 -1.6215
+ 2.0 3 c=1 c= h 124.8800 35.2766 -17.7740 -1.6215
+ 2.0 3 c=2 c= h 124.8800 35.2766 -17.7740 -1.6215
+ 2.0 3 c= c=1 h 124.8800 35.2766 -17.7740 -1.6215
+ 2.0 3 c=1 c=1 h 124.8800 35.2766 -17.7740 -1.6215
+ 2.0 3 c=2 c=1 h 124.8800 35.2766 -17.7740 -1.6215
+ 2.0 3 c= c=2 h 124.8800 35.2766 -17.7740 -1.6215
+ 2.0 3 c=1 c=2 h 124.8800 35.2766 -17.7740 -1.6215
+ 2.0 3 c=2 c=2 h 124.8800 35.2766 -17.7740 -1.6215
+ 1.0 1 c c= h 117.2700 30.0944 -8.0826 -8.6781
+ 2.0 3 c c=1 h 117.2700 30.0944 -8.0826 -8.6781
+ 2.0 3 c c=2 h 117.2700 30.0944 -8.0826 -8.6781
+ 1.0 1 c c c= 111.7600 45.7026 -10.6396 -9.9121
+ 2.0 3 c c c=1 111.7600 45.7026 -10.6396 -9.9121
+ 2.0 3 c c c=2 111.7600 45.7026 -10.6396 -9.9121
+ 1.0 1 c= c h 110.0600 41.2784 -14.2963 5.2229
+ 2.0 3 c=1 c h 110.0600 41.2784 -14.2963 5.2229
+ 2.0 3 c=2 c h 110.0600 41.2784 -14.2963 5.2229
+ 1.0 1 h c= h 115.4900 29.6363 -12.4853 -6.2218
+ 2.0 3 h c=1 h 115.4900 29.6363 -12.4853 -6.2218
+ 2.0 3 h c=2 h 115.4900 29.6363 -12.4853 -6.2218
+ 1.0 1 c c= c 121.0100 29.2704 -10.1175 -6.7906
+ 2.0 3 c c=1 c 121.0100 29.2704 -10.1175 -6.7906
+ 2.0 3 c c=2 c 121.0100 29.2704 -10.1175 -6.7906
+ 1.0 1 c= c c= 113.0100 44.2251 -10.2683 -9.5886
+ 2.0 3 c=1 c c= 113.0100 44.2251 -10.2683 -9.5886
+ 2.0 3 c=2 c c= 113.0100 44.2251 -10.2683 -9.5886
+ 2.0 3 c=1 c c=1 113.0100 44.2251 -10.2683 -9.5886
+ 2.0 3 c=2 c c=2 113.0100 44.2251 -10.2683 -9.5886
+ 2.0 3 c=1 c c=2 113.0100 44.2251 -10.2683 -9.5886
+ 1.0 1 c o c 104.5000 35.7454 -10.0067 -6.2729
+ 1.0 1 h c o 108.7280 58.5446 -10.8088 -12.4006
+ 1.0 1 c c o 111.2700 54.5381 -8.3642 -13.0838
+ 1.0 1 c o h* 105.8000 52.7061 -12.1090 -9.8681
+ 1.0 1 c na c 112.4436 47.2337 -10.6612 -10.2062
+ 1.0 1 c na h* 110.9538 50.8652 -4.4522 -10.0298
+ 1.0 1 h* na h* 107.0671 45.2520 -7.5558 -9.5120
+ 1.0 1 c c na 111.9100 60.7147 -13.3366 -13.0785
+ 1.0 1 h c na 110.6204 51.3137 -6.7198 -2.6003
+ 1.0 1 c s h 96.8479 56.7336 14.2713 0.0000
+ 1.0 1 c c s 112.5642 47.0276 -10.6790 -10.1687
+ 1.0 1 h c s 107.8522 51.4949 -13.5270 7.0260
+ 1.0 1 c s c 97.5000 57.6938 -5.0559 -11.8206
+ 1.0 1 c s s 100.3000 57.2900 -6.5301 -11.8204
+ 1.0 1 s c s 111.5000 27.9677 0.0000 0.0000
+ 1.0 1 h s s 97.2876 54.4281 0.0000 0.0000
+ 1.0 1 h s h 94.3711 54.9676 0.0000 0.0000
+ 1.0 4 c c c* 108.4000 43.9594 -8.3924 -9.3379
+ 1.0 4 c* c h 107.8594 38.0833 -17.5074 0.0000
+ 1.0 4 c c* h 106.2000 27.4878 -1.9350 14.5545
+ 1.0 4 c c* o' 119.3000 65.1016 -17.9766 0.0000
+ 1.0 4 h c* o' 116.5000 59.6420 -21.9179 0.0000
+ 1.0 4 c c* c 110.5884 34.6214 -7.0939 -7.4032
+ 1.0 4 h c* h 108.6000 40.0764 -6.8139 -8.4349
+ 1.0 4 o c* o' 118.9855 98.6813 -22.2485 10.3673
+ 1.0 4 c c* o 100.3182 38.8631 -3.8323 -7.9802
+ 1.0 4 c* o h* 111.2537 53.5303 -11.8454 -11.5405
+ 1.0 4 c* c o 106.1764 74.4143 -12.6018 -48.7850
+ 1.0 4 c o c* 102.9695 38.9739 -6.2595 -8.1710
+ 1.0 4 h c* o 94.5209 32.3751 -0.6174 -6.5639
+ 1.0 1 n c' o' 125.5420 92.5720 -34.4800 -11.1871
+ 1.0 1 c c' o' 123.1451 55.5431 -17.2123 0.1348
+ 1.0 1 c c' n 116.9257 39.4193 -10.9945 -8.7733
+ 1.0 1 c n c' 111.0372 31.8958 -6.6942 -6.8370
+ 1.0 1 c' n h* 117.9607 37.4964 -8.1837 0.0000
+ 1.0 1 c n h* 113.8683 45.9271 -20.0824 0.0000
+ 1.0 1 c' c n 100.5663 52.0966 -5.2642 -10.7045
+ 1.0 1 c c n 114.3018 42.6589 -10.5464 -9.3243
+ 1.0 1 h c n 108.9372 57.4010 2.9374 0.0000
+ 1.0 1 c c c' 108.5295 51.9747 -9.4851 -10.9985
+ 1.0 1 c' c h 107.7336 40.6099 -28.8121 0.0000
+ 1.0 1 h c' o' 117.8326 45.9187 -22.5264 0.0000
+ 1.0 1 h c' n 110.3935 52.1647 -18.4845 0.0000
+ 1.0 1 h* n h* 116.9402 37.5749 -8.6676 0.0000
+ 1.0 1 c n c 111.5635 39.6084 -8.5459 -8.5152
+ 1.0 1 n c' n 122.5292 104.0857 -36.7315 -24.2616
+ 1.0 1 c' n c' 121.9556 76.3105 -26.3166 -17.6944
+ 1.0 1 cp cp cp 118.9000 61.0226 -34.9931 0.0000
+ 1.0 1 cp cp h 117.9400 35.1558 -12.4682 0.0000
+ 1.0 1 cp np cp 111.6800 84.5159 -48.5528 0.0000
+ 1.0 1 cp cp np 116.5100 76.6970 -35.3868 0.0000
+ 1.0 1 h cp np 110.5500 40.8275 -13.0318 0.0000
+ 1.0 1 np cp np 115.3800 85.4923 -6.5225 0.0000
+ 1.0 1 cp np np 106.0400 109.1158 -42.9319 0.0000
+ 1.0 1 cp nh h* 109.3800 47.0120 -17.3556 0.0000
+ 1.0 1 cp nh cp 106.0100 109.7746 -9.0636 0.0000
+ 1.0 1 cp cp nh 112.5900 78.6418 -16.3888 0.0000
+ 1.0 1 h cp nh 109.8000 43.8408 -9.5153 0.0000
+ 1.0 1 nh cp np 108.9100 98.8519 -5.7502 0.0000
+ 1.0 1 cp nh np 109.3900 119.1811 0.0000 0.0000
+ 1.0 1 h* nh np 99.4530 41.6499 -5.7422 0.0000
+ 1.0 1 cp np nh 108.2200 119.0383 -24.2061 0.0000
+ 1.0 1 cp op cp 103.4300 112.4497 -25.7326 0.0000
+ 1.0 1 cp cp op 104.1700 101.3206 -17.3072 0.0000
+ 1.0 1 h cp op 106.1700 48.0995 -9.0144 0.0000
+ 1.0 1 np cp op 104.0100 104.4800 0.0000 0.0000
+ 1.0 1 cp sp cp 88.2540 130.6992 -18.4789 0.0000
+ 1.0 1 cp cp sp 105.5300 96.2006 -44.9267 0.0000
+ 1.0 1 h cp sp 115.9800 36.7902 -13.1342 0.0000
+ 1.0 1 np cp sp 114.2300 92.3110 -35.5956 0.0000
+ 1.0 1 nh cp nh 105.0080 107.0693 -27.7154 0.0000
+ 1.0 1 cp cp o 123.4200 73.6781 -21.6787 0.0000
+ 1.0 1 cp o h* 108.1900 53.1250 -8.5016 0.0000
+ 1.0 1 c cp cp 120.0500 44.7148 -22.7352 0.0000
+ 1.0 1 cp c h 111.0000 44.3234 -9.4454 0.0000
+ 1.0 1 cp cp nn 121.4584 61.0647 -21.6172 0.0000
+ 1.0 1 cp nn h* 111.8725 40.8369 -15.6673 0.0000
+ 1.0 1 h* nn h* 107.5130 42.5182 -21.7566 -4.3372
+ 1.0 1 nn cp np 118.5414 56.9522 -7.2655 0.0000
+ 1.0 1 h+ n+ h+ 106.1100 45.3280 -14.0474 1.9350
+ 1.0 1 c n+ h+ 110.5100 49.2170 -12.2153 -18.9667
+ 1.0 1 c c n+ 112.1300 66.4520 4.8694 37.7860
+ 1.0 1 h c n+ 105.8500 72.2630 -28.1923 0.0000
+ 1.0 1 c n+ c 109.7700 44.8220 -3.9132 0.0000
+ 1.0 1 c- c h 109.6700 37.9190 -7.3877 -8.0694
+ 1.0 1 c c- o- 115.0600 59.0960 -15.1430 -12.9820
+ 1.0 1 o- c- o- 130.0100 111.2900 -52.3390 -28.1070
+ 1.0 1 c c c- 104.4900 31.3750 -4.4023 -6.5271
+ 1.0 1 h c- o- 112.7500 61.1530 -14.0190 -13.2380
+ 1.0 1 c+ nr h* 119.0700 45.8110 0.0000 0.0000
+ 1.0 1 h* nr h* 110.9100 31.0910 0.0000 0.0000
+ 1.0 1 nr c+ nr 117.4500 83.9840 0.0000 0.0000
+ 1.0 1 c c nr 117.3500 55.0400 0.0000 0.0000
+ 1.0 1 h c nr 107.5000 62.6790 0.0000 0.0000
+ 1.0 1 c nr c+ 117.0900 31.4400 0.0000 0.0000
+ 1.0 1 c nr h* 117.2000 37.2620 0.0000 0.0000
+ 1.1 1 cr nr h* 122.9480 40.482 -16.2028 0.0
+ 1.1 1 n= cr nr 125.532 101.8765 -41.8094 0.0
+ 2.0 3 n=1 cr nr 125.532 101.8765 -41.8094 0.0
+ 2.0 3 n=2 cr nr 125.532 101.8765 -41.8094 0.0
+ 1.1 1 nr cr nr 122.5292 104.0857 -36.7315 -24.2616
+ 1.1 1 c n= cr 117.0900 31.6888 0.0000 0.0000
+ 1.1 1 n= c h 107.4989 62.7484 0.0000 0.0000
+ 2.0 3 n=1 c h 107.4989 62.7484 0.0000 0.0000
+ 2.0 3 n=2 c h 107.4989 62.7484 0.0000 0.0000
+ 1.1 1 c c n= 117.2847 55.4431 0.0000 0.0000
+ 1.2 1 h* o* h* 103.7000 49.8400 -11.6000 -8.0000
+ 1.3 1 c' c n+ 100.5663 52.0966 -5.2642 -10.7045
+ 1.3 1 c c cp 108.4000 43.9594 -8.3924 -9.3379
+ 1.3 1 c cp np 120.0500 44.7148 -22.7352 0.0000
+ 1.3 1 c- c n 100.5663 52.0966 -5.2642 -10.7045
+ 1.4 1 c o cp 102.9695 38.9739 -6.2595 -8.1710
+ 1.5 1 cp c cp 111.0000 44.3234 -9.4454 0.0000
+
+
+
+
+#bond-bond cff91
+
+> E = K(b,b') * (R - R0) * (R' - R0')
+
+!Ver Ref I J K K(b,b')
+!---- --- ---- ---- ---- -------
+ 1.0 1 h c h 5.3316
+ 1.0 1 c c h 3.3872
+ 1.0 1 c c c 0.0000
+ 1.0 1 c c= c= 17.7913
+ 2.0 3 c c= c=1 17.7913
+ 2.0 3 c c= c=2 17.7913
+ 2.0 3 c c=1 c= 17.7913
+ 2.0 3 c c=1 c=1 17.7913
+ 2.0 3 c c=1 c=2 17.7913
+ 2.0 3 c c=2 c= 17.7913
+ 2.0 3 c c=2 c=1 17.7913
+ 2.0 3 c c=2 c=2 17.7913
+ 1.0 1 c= c= h 10.1047
+ 2.0 3 c=1 c= h 10.1047
+ 2.0 3 c=2 c= h 10.1047
+ 2.0 3 c= c=1 h 10.1047
+ 2.0 3 c=1 c=1 h 10.1047
+ 2.0 3 c=2 c=1 h 10.1047
+ 2.0 3 c= c=2 h 10.1047
+ 2.0 3 c=1 c=2 h 10.1047
+ 2.0 3 c=2 c=2 h 10.1047
+ 1.0 1 c c= h 3.4394
+ 2.0 3 c c=1 h 3.4394
+ 2.0 3 c c=2 h 3.4394
+ 1.0 1 c c c= 7.7827
+ 2.0 3 c c c=1 7.7827
+ 2.0 3 c c c=2 7.7827
+ 1.0 1 c= c h 9.9922
+ 2.0 3 c=1 c h 9.9922
+ 2.0 3 c=2 c h 9.9922
+ 1.0 1 h c= h 4.8506
+ 2.0 3 h c=1 h 4.8506
+ 2.0 3 h c=2 h 4.8506
+ 1.0 1 c c= c 3.3730
+ 2.0 3 c c=1 c 3.3730
+ 2.0 3 c c=2 c 3.3730
+ 1.0 1 c= c c= 3.3730
+ 2.0 3 c= c c=1 3.3730
+ 2.0 3 c= c c=2 3.3730
+ 2.0 3 c=1 c c=1 3.3730
+ 2.0 3 c=2 c c=2 3.3730
+ 2.0 3 c=1 c c=2 3.3730
+ 1.0 1 c o c -7.1131
+ 1.0 1 h c o 23.1979
+ 1.0 1 c c o 11.4318
+ 1.0 1 c o h* -9.6879
+ 1.0 1 c na c -2.1113
+ 1.0 1 c na h* -6.4168
+ 1.0 1 h* na h* -1.8749
+ 1.0 1 c c na 4.6217
+ 1.0 1 h c na 12.4260
+ 1.0 1 c s h -0.5700
+ 1.0 1 c c s 10.9186
+ 1.0 1 h c s 7.0463
+ 1.0 1 c s c -22.3144
+ 1.0 1 c s s -3.6612
+ 1.0 1 s c s -22.3144
+ 1.0 1 h s s -0.0556
+ 1.0 1 h s h -0.9847
+ 1.0 4 c c c* 16.1683
+ 1.0 4 c* c h 2.2522
+ 1.0 4 c c* h -6.8198
+ 1.0 4 c c* o' 77.5201
+ 1.0 4 h c* o' 72.7273
+ 1.0 4 c c* c -7.1992
+ 1.0 4 h c* h -1.1646
+ 1.0 4 o c* o' 210.1813
+ 1.0 4 c c* o 19.1069
+ 1.0 4 c* o h* -6.2138
+ 1.0 4 c* c o 6.2211
+ 1.0 4 c o c* 26.1360
+ 1.0 4 h c* o 33.1111
+ 1.0 1 n c' o' 138.4954
+ 1.0 1 c c' o' 46.0685
+ 1.0 1 c c' n -6.4788
+ 1.0 1 c n c' 12.1186
+ 1.0 1 c' n h* -4.3126
+ 1.0 1 c n h* -3.4710
+ 1.0 1 c' c n -3.8353
+ 1.0 1 c c n 3.5446
+ 1.0 1 h c n 15.2994
+ 1.0 1 c c c' 5.4199
+ 1.0 1 c' c h 0.7115
+ 1.0 1 h c' o' 42.1741
+ 1.0 1 h c' n 2.8000
+ 1.0 1 h* n h* -0.5655
+ 1.0 1 c n c -1.4980
+ 1.0 1 n c' n 25.9530
+ 1.0 1 c' n c' 25.9530
+ 1.0 1 cp cp cp 68.2856
+ 1.0 1 cp cp h 1.0795
+ 1.0 1 cp np cp 125.0057
+ 1.0 1 cp cp np 104.8601
+ 1.0 1 h cp np 11.4027
+ 1.0 1 np cp np 125.0057
+ 1.0 1 cp np np 140.0177
+ 1.0 1 cp nh h* 0.5187
+ 1.1 1 cp nh hi 0.5187
+ 1.0 1 cp nh cp 97.2420
+ 1.0 1 cp cp nh 70.0451
+ 1.0 1 h cp nh 0.8510
+ 1.0 1 nh cp np 124.5049
+ 1.0 1 cp nh np 99.0082
+ 1.0 1 h* nh np 2.0609
+ 1.1 1 hi nh np 2.0609
+ 1.0 1 cp np nh 94.4808
+ 1.0 1 cp op cp 109.9080
+ 1.0 1 cp cp op 80.0290
+ 1.0 1 h cp op 2.1806
+ 1.0 1 np cp op 139.6091
+ 1.0 1 cp sp cp 4.0747
+ 1.0 1 cp cp sp 72.5954
+ 1.0 1 h cp sp -1.0209
+ 1.0 1 np cp sp 123.7272
+ 1.0 1 nh cp nh 97.2420
+ 1.0 1 cp cp o 48.4754
+ 1.0 1 cp o h* 20.6577
+ 1.0 1 c cp cp 12.0676
+ 1.0 1 cp c h 2.9168
+ 1.0 1 cp cp nn 46.9513
+ 1.0 1 cp nn h* 4.5393
+ 1.0 1 h* nn h* -9.9447
+ 1.0 1 nn cp np 99.2160
+ 1.0 1 h+ n+ h+ 2.8266
+ 1.0 1 c n+ h+ 8.6951
+ 1.0 1 c c n+ 16.4280
+ 1.0 1 h c n+ -1.4797
+ 1.0 1 c n+ c 14.9590
+ 1.0 1 c- c h -1.1701
+ 1.0 1 c c- o- 57.8750
+ 1.0 1 o- c- o- 166.5900
+ 1.0 1 c c c- 16.4650
+ 1.0 1 h c- o- 55.5960
+ 1.0 1 c+ nr h* 15.7970
+ 1.0 1 h* nr h* 1.4574
+ 1.0 1 nr c+ nr 88.8170
+ 1.0 1 c c nr 22.7100
+ 1.0 1 h c nr 5.6638
+ 1.0 1 c nr c+ 48.6960
+ 1.0 1 c nr h* 12.5630
+ 1.1 1 c c n= 22.7100
+ 2.0 3 c c n=1 22.7100
+ 2.0 3 c c n=2 22.7100
+ 1.1 1 h c n= 5.6638
+ 2.0 3 h c n=1 5.6638
+ 2.0 3 h c n=2 5.6638
+ 1.1 1 c n= cr 48.6960
+ 1.1 1 cr nr h* 0.00000
+ 1.1 1 n= cr nr 116.9445
+ 2.0 3 n=1 cr nr 116.9445
+ 2.0 3 n=2 cr nr 116.9445
+ 1.1 1 nr cr nr 25.9530
+ 1.2 1 h* o* h* -9.5000
+ 1.3 1 c' c n+ 0.0000
+ 1.3 1 c c cp 0.0000
+ 1.3 1 c cp np 0.0000
+ 1.3 1 c- c n 0.0000
+
+
+
+
+
+#bond-angle cff91
+
+> E = K * (R - R0) * (Theta - Theta0)
+
+!Ver Ref I J K K(b,theta) K(b',theta)
+!---- --- ---- ---- ---- ---------- -----------
+ 1.0 1 h c h 18.1030
+ 1.0 1 c c h 20.7540 11.4210
+ 1.0 1 c c c 8.0160
+ 1.0 1 c c= c= 31.5885 24.2252
+ 2.0 3 c c= c=1 31.5885 24.2252
+ 2.0 3 c c= c=2 31.5885 24.2252
+ 2.0 3 c c=1 c= 31.5885 24.2252
+ 2.0 3 c c=1 c=1 31.5885 24.2252
+ 2.0 3 c c=1 c=2 31.5885 24.2252
+ 2.0 3 c c=2 c= 31.5885 24.2252
+ 2.0 3 c c=2 c=1 31.5885 24.2252
+ 2.0 3 c c=2 c=2 31.5885 24.2252
+ 1.0 1 c= c= h 23.3588 19.0592
+ 2.0 3 c=1 c= h 23.3588 19.0592
+ 2.0 3 c=2 c= h 23.3588 19.0592
+ 2.0 3 c= c=1 h 23.3588 19.0592
+ 2.0 3 c=1 c=1 h 23.3588 19.0592
+ 2.0 3 c=2 c=1 h 23.3588 19.0592
+ 2.0 3 c= c=2 h 23.3588 19.0592
+ 2.0 3 c=1 c=2 h 23.3588 19.0592
+ 2.0 3 c=2 c=2 h 23.3588 19.0592
+ 1.0 1 c c= h 17.6452 15.3492
+ 2.0 3 c c=1 h 17.6452 15.3492
+ 2.0 3 c c=2 h 17.6452 15.3492
+ 1.0 1 c c c= 15.9818 18.9779
+ 2.0 3 c c c=1 15.9818 18.9779
+ 2.0 3 c c c=2 15.9818 18.9779
+ 1.0 1 c= c h 20.8767 14.2741
+ 2.0 3 c=1 c h 20.8767 14.2741
+ 2.0 3 c=2 c h 20.8767 14.2741
+ 1.0 1 h c= h 17.9795
+ 2.0 3 h c=1 h 17.9795
+ 2.0 3 h c=2 h 17.9795
+ 1.0 1 c c= c 4.9578
+ 2.0 3 c c=1 c 4.9578
+ 2.0 3 c c=2 c 4.9578
+ 1.0 1 c= c c= 8.2266
+ 2.0 3 c= c c=1 8.2266 8.2266
+ 2.0 3 c= c c=2 8.2266 8.2266
+ 2.0 3 c=1 c c=1 8.2266
+ 2.0 3 c=2 c c=2 8.2266
+ 2.0 3 c=1 c c=2 8.2266 8.2266
+ 1.0 1 c o c -2.8112
+ 1.0 1 h c o 4.6189 55.3270
+ 1.0 1 c c o 2.6868 20.4033
+ 1.0 1 c o h* 28.5800 18.9277
+ 1.0 1 c na c -7.2229
+ 1.0 1 c na h* 31.8096 20.5799
+ 1.0 1 h* na h* 28.0322
+ 1.0 1 c c na 6.0876 16.5702
+ 1.0 1 h c na 13.4582 42.4332
+ 1.0 1 c s h 10.7325 5.1221
+ 1.0 1 c c s -3.5621 22.3865
+ 1.0 1 h c s 9.3225 44.9874
+ 1.0 1 c s c -13.0015
+ 1.0 1 c s s -5.3481 13.1766
+ 1.0 1 s c s -20.1517
+ 1.0 1 h s s -4.4794 15.8741
+ 1.0 1 h s h 7.8128
+ 1.0 4 c c c* 17.6996 13.7504
+ 1.0 4 c* c h 15.5988 14.6287
+ 1.0 4 c c* h 10.1404 4.8798
+ 1.0 4 c c* o' 31.8455 46.6613
+ 1.0 4 h c* o' 12.4733 63.9355
+ 1.0 4 c c* c 13.7595
+ 1.0 4 h c* h 9.2776
+ 1.0 4 o c* o' 57.0987 79.4497
+ 1.0 4 c c* o 1.3435 4.6978
+ 1.0 4 c* o h* 29.8208 22.5219
+ 1.0 4 c* c o -12.1485 6.5577
+ 1.0 4 c o c* -16.6748 21.5366
+ 1.0 4 h c* o 7.7210 19.8871
+ 1.0 1 n c' o' 62.7124 52.4045
+ 1.0 1 c c' o' 34.9982 37.1298
+ 1.0 1 c c' n 25.3712 6.0803
+ 1.0 1 c n c' 3.7812 14.8633
+ 1.0 1 c' n h* 29.5743 10.8422
+ 1.0 1 c n h* 11.8828 5.9339
+ 1.0 1 c' c n -5.1640 17.3942
+ 1.0 1 c c n -5.4790 4.6031
+ 1.0 1 h c n 10.6917 34.8907
+ 1.0 1 c c c' 18.1678 15.8758
+ 1.0 1 c' c h 12.4632 9.1765
+ 1.0 1 h c' o' 15.2461 49.0551
+ 1.0 1 h c' n 22.3253 31.3099
+ 1.0 1 h* n h* 19.8125
+ 1.0 1 c n c -2.0497
+ 1.0 1 n c' n 68.0739
+ 1.0 1 c' n c' 20.0533
+ 1.0 1 cp cp cp 28.8708
+ 1.0 1 cp cp h 20.0033 24.2183
+ 1.0 1 cp np cp 111.2194
+ 1.0 1 cp cp np 42.9246 93.4857
+ 1.0 1 h cp np 19.5506 39.7430
+ 1.0 1 np cp np 88.0095
+ 1.0 1 cp np np 125.6977 126.6400
+ 1.0 1 cp nh h* 7.7413 4.8660
+ 1.1 1 cp nh hi 7.7413 4.8660
+ 1.0 1 cp nh cp 113.4930
+ 1.0 1 cp cp nh 64.0522 87.1000
+ 1.0 1 h cp nh 20.9885 28.2335
+ 1.0 1 nh cp np 105.2357 135.8199
+ 1.0 1 cp nh np 128.9399 188.5399
+ 1.0 1 h* nh np -0.5376 13.6130
+ 1.1 1 hi nh np -0.5376 13.6130
+ 1.0 1 cp np nh 139.9650 204.4943
+ 1.0 1 cp op cp 222.4125
+ 1.0 1 cp cp op 97.6770 187.8282
+ 1.0 1 h cp op 18.9548 46.0338
+ 1.0 1 np cp op 157.6130 201.2784
+ 1.0 1 cp sp cp 187.8084
+ 1.0 1 cp cp sp 98.2635 135.6617
+ 1.0 1 h cp sp 19.9829 21.5045
+ 1.0 1 np cp sp 158.8190 146.3903
+ 1.0 1 nh cp nh 143.5717
+ 1.0 1 cp cp o 58.4790 107.6806
+ 1.0 1 cp o h* 53.8614 23.9224
+ 1.0 1 c cp cp 47.0579 31.0771
+ 1.0 1 cp c h 26.4608 11.7717
+ 1.0 1 cp cp nn 39.4040 73.6548
+ 1.0 1 cp nn h* 38.5704 16.5524
+ 1.0 1 h* nn h* 17.1597
+ 1.0 1 nn cp np 78.2291 53.0190
+ 1.0 1 h+ n+ h+ 10.1080
+ 1.0 1 c n+ h+ 27.8810 6.2182
+ 1.0 1 c c n+ 14.0620 49.7730
+ 1.0 1 h c n+ 15.8820 50.0180
+ 1.0 1 c n+ c 23.0930
+ 1.0 1 c- c h 11.8650 14.9650
+ 1.0 1 c c- o- 51.5840 62.0560
+ 1.0 1 o- c- o- 73.3500
+ 1.0 1 c c c- 23.0840 19.1590
+ 1.0 1 h c- o- 36.5860 60.2920
+ 1.0 1 c+ nr h* 27.0330 7.9962
+ 1.0 1 h* nr h* 8.4895
+ 1.0 1 nr c+ nr 60.9880
+ 1.0 1 c c nr 19.2440 59.4220
+ 1.0 1 h c nr 6.4066 46.3730
+ 1.0 1 c nr c+ 5.7957 39.5260
+ 1.0 1 c nr h* 18.4860 7.8369
+ 1.1 1 c c n= 19.2440 59.4220
+ 2.0 3 c c n=1 19.2440 59.4220
+ 2.0 3 c c n=2 19.2440 59.4220
+ 1.1 1 h c n= 6.4066 46.3730
+ 2.0 3 h c n=1 6.4066 46.3730
+ 2.0 3 h c n=2 6.4066 46.3730
+ 1.1 1 c n= cr 5.7957 39.5260
+ 2.0 3 c n=1 cr 5.7957 39.5260
+ 2.0 3 c n=2 cr 5.7957 39.5260
+ 1.1 1 cr nr h* 24.8312 15.0778
+ 1.1 1 n= cr nr 76.1093 72.8758
+ 2.0 3 n=1 cr nr 76.1093 72.8758
+ 2.0 3 n=2 cr nr 76.1093 72.8758
+ 1.1 1 nr cr nr 68.0739
+ 1.2 1 h* o* h* 22.3500
+ 1.3 1 c' c n+ 0.0000 0.0000
+ 1.3 1 c c cp 0.0000 0.0000
+ 1.3 1 c cp np 0.0000 0.0000
+ 1.3 1 c- c n 0.0000 0.0000
+
+
+
+#torsion_3 cff91
+
+> E = SUM(n=1,3) { V(n) * [ 1 - cos(n*Phi - Phi0(n)) ] }
+
+!Ver Ref I J K L V1 Phi0 V2 Phi0 V3 Phi0
+!---- --- ---- ---- ---- ---- ------- ------ ------- ------ ------- ------
+ 1.0 1 h c c h -0.2432 0.0 0.0617 0.0 -0.1383 0.0
+ 1.0 1 c c c h 0.0000 0.0 0.0316 0.0 -0.1781 0.0
+ 1.0 1 c c c c 0.1223 0.0 0.0514 0.0 -0.2230 0.0
+ 1.0 1 c c= c= c 0.0860 0.0 5.1995 0.0 0.0000 0.0
+ 2.0 3 c c= c=1 c 0.0860 0.0 5.1995 0.0 0.0000 0.0
+ 2.0 3 c c= c=2 c 0.0860 0.0 5.1995 0.0 0.0000 0.0
+ 1.0 1 c c= c= h 0.0000 0.0 5.2097 0.0 0.0000 0.0
+ 2.0 3 c c= c=1 h 0.0000 0.0 5.2097 0.0 0.0000 0.0
+ 2.0 3 c c= c=2 h 0.0000 0.0 5.2097 0.0 0.0000 0.0
+ 2.0 3 c c=1 c= h 0.0000 0.0 5.2097 0.0 0.0000 0.0
+ 2.0 3 c c=2 c= h 0.0000 0.0 5.2097 0.0 0.0000 0.0
+ 1.0 1 h c= c= h 0.0000 0.0 4.8974 0.0 0.0000 0.0
+ 2.0 3 h c= c=1 h 0.0000 0.0 4.8974 0.0 0.0000 0.0
+ 2.0 3 h c= c=2 h 0.0000 0.0 4.8974 0.0 0.0000 0.0
+ 1.0 1 c c c= c= 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 2.0 3 c c c= c=1 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 2.0 3 c c c= c=2 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 2.0 3 c c c=1 c= 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 2.0 3 c c c=1 c=1 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 2.0 3 c c c=1 c=2 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 2.0 3 c c c=2 c= 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 2.0 3 c c c=2 c=1 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 2.0 3 c c c=2 c=2 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 1.0 1 h c c= c= 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 2.0 3 h c c= c=1 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 2.0 3 h c c= c=2 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 2.0 3 h c c=1 c= 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 2.0 3 h c c=1 c=1 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 2.0 3 h c c=1 c=2 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 2.0 3 h c c=2 c= 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 2.0 3 h c c=2 c=1 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 2.0 3 h c c=2 c=2 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 1.0 1 c c c= h -0.2433 0.0 0.0000 0.0 -0.3281 0.0
+ 2.0 3 c c c=1 h -0.2433 0.0 0.0000 0.0 -0.3281 0.0
+ 2.0 3 c c c=2 h -0.2433 0.0 0.0000 0.0 -0.3281 0.0
+ 1.0 1 h c c= h -0.1143 0.0 0.0000 0.0 -0.1349 0.0
+ 2.0 3 h c c=1 h -0.1143 0.0 0.0000 0.0 -0.1349 0.0
+ 2.0 3 h c c=2 h -0.1143 0.0 0.0000 0.0 -0.1349 0.0
+ 1.0 1 c c c c= 0.0883 0.0 0.0000 0.0 -0.0198 0.0
+ 2.0 3 c c c c=1 0.0883 0.0 0.0000 0.0 -0.0198 0.0
+ 2.0 3 c c c c=2 0.0883 0.0 0.0000 0.0 -0.0198 0.0
+ 1.0 1 c= c c h 0.0000 0.0 0.0000 0.0 -0.1166 0.0
+ 2.0 3 c=1 c c h 0.0000 0.0 0.0000 0.0 -0.1166 0.0
+ 2.0 3 c=2 c c h 0.0000 0.0 0.0000 0.0 -0.1166 0.0
+ 1.0 1 h c c= c -0.1143 0.0 0.0000 0.0 -0.1682 0.0
+ 2.0 3 h c c=1 c -0.1143 0.0 0.0000 0.0 -0.1682 0.0
+ 2.0 3 h c c=2 c -0.1143 0.0 0.0000 0.0 -0.1682 0.0
+ 1.0 1 c c c= c -0.0871 0.0 0.0619 0.0 -0.7371 0.0
+ 2.0 3 c c c=1 c -0.0871 0.0 0.0619 0.0 -0.7371 0.0
+ 2.0 3 c c c=2 c -0.0871 0.0 0.0619 0.0 -0.7371 0.0
+ 1.0 1 c= c c= c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c= c c=1 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c= c c=2 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c= c c= c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c= c c=1 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c= c c=2 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c= c c= c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c= c c=1 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c= c c=2 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=1 c c= c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=1 c c=1 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=1 c c=2 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=1 c c= c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=1 c c=1 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=1 c c=2 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=1 c c= c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=1 c c=1 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=1 c c=2 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=2 c c= c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=2 c c=1 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=2 c c=2 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=2 c c= c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=2 c c=1 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=2 c c=2 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=2 c c= c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=2 c c=1 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 2.0 3 c=2 c c=2 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c= c c= h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 2.0 3 c=1 c c= h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 2.0 3 c=2 c c= h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 2.0 3 c= c c=1 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 2.0 3 c=1 c c=1 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 2.0 3 c=2 c c=1 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 2.0 3 c= c c=2 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 2.0 3 c=1 c c=2 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 2.0 3 c=2 c c=2 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 1.0 1 c= c c c= 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 2.0 3 c=1 c c c= 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 2.0 3 c=2 c c c= 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 2.0 3 c=1 c c c=1 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 2.0 3 c=2 c c c=1 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 2.0 3 c=2 c c c=2 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 1.0 1 h c o c 0.5302 0.0 0.0000 0.0 -0.2836 0.0
+ 1.0 1 c c o c -0.5203 0.0 -0.3028 0.0 -0.3450 0.0
+ 1.0 1 h c c o -0.1435 0.0 0.2530 0.0 -0.0905 0.0
+ 1.0 1 c c c o 0.7137 0.0 0.2660 0.0 -0.2545 0.0
+ 1.0 1 o c c o -0.1820 0.0 -0.1084 0.0 -0.7047 0.0
+ 1.0 1 h c o h* 0.1863 0.0 -0.4338 0.0 -0.2121 0.0
+ 1.0 1 c c o h* -0.6732 0.0 -0.4778 0.0 -0.1670 0.0
+ 1.0 1 h c na c 0.1904 0.0 -0.1342 0.0 -0.2460 0.0
+ 1.0 1 h c na h* -0.5187 0.0 -0.4837 0.0 -0.1692 0.0
+ 1.0 1 c c na h* -1.1506 0.0 -0.6344 0.0 -0.1845 0.0
+ 1.0 1 c c na c -0.1406 0.0 0.4168 0.0 0.0150 0.0
+ 1.0 1 h c c na -0.2428 0.0 0.4065 0.0 -0.3079 0.0
+ 1.0 1 c c c na 0.1764 0.0 0.1766 0.0 -0.5206 0.0
+ 1.0 1 na c c na 0.3805 0.0 0.3547 0.0 -0.1102 0.0
+ 1.0 1 c c s h -0.4871 0.0 -0.4514 0.0 -0.1428 0.0
+ 1.0 1 h c s h -0.5374 0.0 -0.5091 0.0 -0.1361 0.0
+ 1.0 1 s c c s -1.2002 0.0 -1.2999 0.0 -0.1626 0.0
+ 1.0 1 h c c s -0.2078 0.0 -0.1060 0.0 -0.3595 0.0
+ 1.0 1 c c s c -0.5073 0.0 0.0155 0.0 -0.0671 0.0
+ 1.0 1 h c s c -0.3338 0.0 -0.0684 0.0 -0.1706 0.0
+ 1.0 1 c s s c -1.8578 0.0 -3.8321 0.0 -0.4469 0.0
+ 1.0 1 c c s s -0.6269 0.0 -0.9598 0.0 -0.4957 0.0
+ 1.0 1 h c s s -0.0610 0.0 -0.6387 0.0 -0.3072 0.0
+ 1.0 1 s c s c -1.9835 0.0 -1.9213 0.0 -0.3816 0.0
+ 1.0 1 c c c s -0.7017 0.0 0.0201 0.0 0.1040 0.0
+ 1.0 1 c s s h -0.4956 0.0 -3.4601 0.0 -0.2482 0.0
+ 1.0 1 h s s h -0.0528 0.0 -3.5171 0.0 -0.2394 0.0
+ 1.0 1 s c s h -0.0591 0.0 -0.6235 0.0 -0.0788 0.0
+ 1.0 4 c c c c* 0.0929 0.0 0.0689 0.0 -0.2466 0.0
+ 1.0 4 c* c c h -0.1569 0.0 -0.2030 0.0 -0.1599 0.0
+ 1.0 4 c c c* h 0.3055 0.0 0.6703 0.0 -0.2816 0.0
+ 1.0 4 c c c* o' 0.6989 0.0 1.2089 0.0 -0.0445 0.0
+ 1.0 4 h c c* h -0.5265 0.0 0.3627 0.0 -0.1792 0.0
+ 1.0 4 h c c* o' -0.9975 0.0 0.9060 0.0 -0.0195 0.0
+ 1.0 4 c c c* c 0.2904 0.0 1.0177 0.0 -0.1085 0.0
+ 1.0 4 h c c* c -0.4768 0.0 0.6051 0.0 -0.1205 0.0
+ 1.0 4 c* c c c* -1.2352 0.0 -0.2551 0.0 -0.1335 0.0
+ 1.0 4 h c c* o -0.6359 0.0 1.4807 0.0 -0.0438 0.0
+ 1.0 4 o' c* o h* -2.7332 0.0 2.9646 0.0 -0.0155 0.0
+ 1.0 4 c c* o h* -2.9126 0.0 1.0199 0.0 -0.2077 0.0
+ 1.0 4 o c c* o' 0.6444 0.0 0.7897 0.0 1.0604 0.0
+ 1.0 4 o' c* o c 0.8905 0.0 3.2644 0.0 0.2646 0.0
+ 1.0 4 h c o c* 0.9513 0.0 0.1155 0.0 0.0720 0.0
+ 1.0 4 c c* o c -2.5594 0.0 2.2013 0.0 0.0325 0.0
+ 1.0 4 c c c* o 1.8341 0.0 2.0603 0.0 -0.0195 0.0
+ 1.0 4 c c o c* 0.1302 0.0 -0.3250 0.0 0.1134 0.0
+ 1.0 4 h c* o c -0.9993 0.0 0.2131 0.0 -0.4274 0.0
+ 1.0 4 c* c o c* -1.8534 0.0 0.1981 0.0 0.2423 0.0
+ 1.0 4 o c c* h -0.0390 0.0 1.4052 0.0 0.0757 0.0
+ 1.0 4 h c* o h* -1.4540 0.0 0.8387 0.0 -0.4912 0.0
+ 1.0 4 c* c c o -0.0858 0.0 -0.1320 0.0 -0.5909 0.0
+ 1.0 1 o' c' n c 0.8297 0.0 3.7234 0.0 -0.0495 0.0
+ 1.0 1 o' c' n h* -1.6938 0.0 2.7386 0.0 -0.3360 0.0
+ 1.0 1 c c' n c -0.7532 0.0 2.7392 0.0 0.0907 0.0
+ 1.0 1 c c' n h* -0.8236 0.0 2.1467 0.0 -0.2142 0.0
+ 1.0 1 h c c' o' -0.1804 0.0 0.0012 0.0 0.0371 0.0
+ 1.0 1 h c c' n 0.1693 0.0 -0.0090 0.0 -0.0687 0.0
+ 1.0 1 c' c n c' -0.0688 0.0 0.0762 0.0 -0.0618 0.0
+ 1.0 1 c c n c' 0.0143 0.0 -0.0132 0.0 0.0091 0.0
+ 1.0 1 h c n c' 0.0219 0.0 -0.0260 0.0 0.0714 0.0
+ 1.0 1 c' c n h* 0.0546 0.0 0.0756 0.0 0.0728 0.0
+ 1.0 1 c c n h* -0.0483 0.0 -0.0077 0.0 -0.0014 0.0
+ 1.0 1 h c n h* -0.0148 0.0 -0.0791 0.0 -0.0148 0.0
+ 1.0 1 n c c' o' 0.0899 0.0 0.1220 0.0 0.0905 0.0
+ 1.0 1 n c c' n -0.0892 0.0 0.1259 0.0 -0.0884 0.0
+ 1.0 1 c c c' o' 0.0442 0.0 0.0292 0.0 0.0562 0.0
+ 1.0 1 c c c' n -0.0368 0.0 0.0389 0.0 -0.0529 0.0
+ 1.0 1 h c c n -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 1.0 1 c' c c h -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 1.0 1 h c' n c 0.3345 0.0 2.5838 0.0 -0.4006 0.0
+ 1.0 1 h c' n h* -0.0078 0.0 2.6186 0.0 -0.0900 0.0
+ 1.0 1 c c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.0 1 c c c c' 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.0 1 c c n c -0.0017 0.0 -0.0072 0.0 0.0008 0.0
+ 1.0 1 h c n c 0.0406 0.0 0.0354 0.0 -0.1649 0.0
+ 1.0 1 c' c c c' 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.0 1 c' c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.0 1 c' c n c -0.0036 0.0 0.0049 0.0 0.0039 0.0
+ 1.0 1 n c' n h* -0.7358 0.0 0.4643 0.0 -1.1098 0.0
+ 1.0 1 o' c' n c' -0.4066 0.0 1.2513 0.0 -0.7507 0.0
+ 1.0 1 h c' n c' 0.1907 0.0 1.1212 0.0 0.0426 0.0
+ 1.0 1 cp cp cp cp 8.3667 0.0 1.1932 0.0 0.0000 0.0
+ 1.0 1 cp cp cp h 0.0000 0.0 3.9661 0.0 0.0000 0.0
+ 1.0 1 h cp cp h 0.0000 0.0 1.8769 0.0 0.0000 0.0
+ 1.0 1 cp cp np cp 0.0000 0.0 6.8517 0.0 0.0000 0.0
+ 1.0 1 h cp np cp 0.0000 0.0 5.6183 0.0 0.0000 0.0
+ 1.0 1 cp cp cp np 0.0000 0.0 4.7675 0.0 0.0000 0.0
+ 1.0 1 h cp cp np 0.0000 0.0 3.6689 0.0 0.0000 0.0
+ 1.0 1 np cp np cp 0.0000 0.0 7.4664 0.0 0.0000 0.0
+ 1.0 1 np cp cp np 0.0000 0.0 8.8338 0.0 0.0000 0.0
+ 1.0 1 cp np np cp 0.0000 0.0 13.7232 0.0 0.0000 0.0
+ 1.0 1 cp cp np np 0.0000 0.0 12.0680 0.0 0.0000 0.0
+ 1.0 1 h cp np np 0.0000 0.0 6.3346 0.0 0.0000 0.0
+ 1.0 1 cp cp nh h* 0.0000 0.0 1.8202 0.0 0.0000 0.0
+ 1.0 1 h cp nh h* 0.0000 0.0 1.3342 0.0 0.0000 0.0
+ 1.0 1 cp cp nh cp 10.8765 0.0 6.3475 0.0 0.0000 0.0
+ 1.0 1 h cp nh cp 0.0000 0.0 3.7848 0.0 0.0000 0.0
+ 1.0 1 cp cp cp nh 11.5270 0.0 2.7183 0.0 0.0000 0.0
+ 1.0 1 h cp cp nh 0.0000 0.0 3.0202 0.0 0.0000 0.0
+ 1.0 1 np cp nh cp 0.0000 0.0 20.0173 0.0 0.0000 0.0
+ 1.0 1 np cp nh h* 0.0000 0.0 3.5096 0.0 0.0000 0.0
+ 1.0 1 nh cp np cp 0.0000 0.0 9.7830 0.0 0.0000 0.0
+ 1.0 1 nh cp cp np 0.0000 0.0 4.8266 0.0 0.0000 0.0
+ 1.0 1 cp nh np cp 0.0000 0.0 14.4766 0.0 0.0000 0.0
+ 1.0 1 h* nh np cp 0.0000 0.0 7.4549 0.0 0.0000 0.0
+ 1.0 1 cp cp nh np 0.0000 0.0 10.7803 0.0 0.0000 0.0
+ 1.0 1 h cp nh np 0.0000 0.0 4.1751 0.0 0.0000 0.0
+ 1.0 1 cp cp np nh 0.0000 0.0 5.1942 0.0 0.0000 0.0
+ 1.0 1 h cp np nh 0.0000 0.0 5.2455 0.0 0.0000 0.0
+ 1.0 1 cp cp op cp 0.0000 0.0 27.5402 0.0 0.0000 0.0
+ 1.0 1 h cp op cp 0.0000 0.0 2.6043 0.0 0.0000 0.0
+ 1.0 1 cp cp cp op 0.0000 0.0 10.6923 0.0 0.0000 0.0
+ 1.0 1 h cp cp op 0.0000 0.0 3.3516 0.0 0.0000 0.0
+ 1.0 1 np cp op cp 0.0000 0.0 30.4292 0.0 0.0000 0.0
+ 1.0 1 op cp np cp 0.0000 0.0 15.3660 0.0 0.0000 0.0
+ 1.0 1 np cp cp op 0.0000 0.0 9.7415 0.0 0.0000 0.0
+ 1.0 1 op cp np np 0.0000 0.0 11.8577 0.0 0.0000 0.0
+ 1.0 1 cp cp sp cp 0.0000 0.0 31.5576 0.0 0.0000 0.0
+ 1.0 1 h cp sp cp 0.0000 0.0 4.2145 0.0 0.0000 0.0
+ 1.0 1 cp cp cp sp 0.0000 0.0 9.2097 0.0 0.0000 0.0
+ 1.0 1 h cp cp sp 0.0000 0.0 3.7957 0.0 0.0000 0.0
+ 1.0 1 np cp sp cp 0.0000 0.0 21.1715 0.0 0.0000 0.0
+ 1.0 1 sp cp np cp 0.0000 0.0 13.6743 0.0 0.0000 0.0
+ 1.0 1 np cp cp sp 0.0000 0.0 8.5974 0.0 0.0000 0.0
+ 1.0 1 sp cp np np 0.0000 0.0 11.5762 0.0 0.0000 0.0
+ 1.0 1 nh cp nh cp 0.0000 0.0 23.0443 0.0 0.0000 0.0
+ 1.0 1 nh cp nh h* 0.0000 0.0 7.0570 0.0 0.0000 0.0
+ 1.0 1 nh cp cp nh 0.0000 0.0 12.7748 0.0 0.0000 0.0
+ 1.0 1 cp cp cp o 0.0000 0.0 4.8498 0.0 0.0000 0.0
+ 1.0 1 h cp cp o 0.0000 0.0 1.7234 0.0 0.0000 0.0
+ 1.0 1 cp cp o h* -0.6900 0.0 0.5097 0.0 0.0095 0.0
+ 1.0 1 c cp cp cp 0.0000 0.0 4.4072 0.0 0.0000 0.0
+ 1.0 1 c cp cp h 0.0000 0.0 1.5590 0.0 0.0000 0.0
+ 1.0 1 h c cp cp -0.2802 0.0 -0.0678 0.0 -0.0122 0.0
+ 1.0 1 cp cp cp nn 0.0000 0.0 5.3826 0.0 0.0000 0.0
+ 1.0 1 h cp cp nn 0.0000 0.0 1.3331 0.0 0.0000 0.0
+ 1.0 1 cp cp nn h* 0.0000 0.0 1.2190 0.0 0.0000 0.0
+ 1.0 1 nn cp np cp 0.0000 0.0 6.7119 0.0 0.0000 0.0
+ 1.0 1 np cp nn h* 0.0000 0.0 2.0184 0.0 0.0000 0.0
+ 1.0 1 c c n+ h+ -0.8792 0.0 -0.5978 0.0 -0.3242 0.0
+ 1.0 1 h c n+ h+ -0.2458 0.0 -0.2789 0.0 -0.0294 0.0
+ 1.0 1 c c c n+ -1.9394 0.0 0.0086 0.0 0.2775 0.0
+ 1.0 1 h c c n+ -0.2179 0.0 -0.4127 0.0 -0.1252 0.0
+ 1.0 1 h c n+ c 0.3624 0.0 0.1012 0.0 -0.2486 0.0
+ 1.0 1 c c n+ c 0.7077 0.0 -0.3744 0.0 -0.1914 0.0
+ 1.0 1 h c c- o- -2.5999 0.0 1.0488 0.0 -0.2089 0.0
+ 1.0 1 c c c c- -0.4054 0.0 0.4825 0.0 0.4345 0.0
+ 1.0 1 c- c c h -1.2767 0.0 0.5949 0.0 0.2379 0.0
+ 1.0 1 c c c- o- 1.7311 0.0 1.8510 0.0 -0.1933 0.0
+ 1.0 1 nr c+ nr h* -7.2378 0.0 1.9150 0.0 0.1436 0.0
+ 1.0 1 h c c nr -0.5336 0.0 -0.0444 0.0 -0.1432 0.0
+ 1.0 1 c c nr c+ -5.4418 0.0 -0.0437 0.0 0.8035 0.0
+ 1.0 1 c c nr h* -5.0724 0.0 -0.4980 0.0 -0.4381 0.0
+ 1.0 1 h c nr c+ 2.8272 0.0 -0.3930 0.0 -0.3847 0.0
+ 1.0 1 h c nr h* 1.2659 0.0 -0.7739 0.0 0.0378 0.0
+ 1.0 1 nr c+ nr c -0.6197 0.0 3.0539 0.0 0.1861 0.0
+ 1.1 1 h c n= cr 0.5865 0.0 -0.5482 0.0 -0.2767 0.0
+ 2.0 3 h c n=1 cr 0.5865 0.0 -0.5482 0.0 -0.2767 0.0
+ 2.0 3 h c n=2 cr 0.5865 0.0 -0.5482 0.0 -0.2767 0.0
+ 1.1 1 c n= cr nr -7.3589 0.0 0.4643 0.0 -0.1098 0.0
+ 2.0 3 c n=1 cr nr -7.3589 0.0 0.4643 0.0 -0.1098 0.0
+ 2.0 3 c n=2 cr nr -7.3589 0.0 0.4643 0.0 -0.1098 0.0
+ 1.1 1 c c n= cr 0.0143 0.0 -0.0132 0.0 0.0091 0.0
+ 2.0 3 c c n=1 cr 0.0143 0.0 -0.0132 0.0 0.0091 0.0
+ 2.0 3 c c n=2 cr 0.0143 0.0 -0.0132 0.0 0.0091 0.0
+ 1.1 1 h c c n= -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 2.0 3 h c c n=1 -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 2.0 3 h c c n=2 -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 1.1 1 h* nr cr n= -0.7358 0.0 0.4643 0.0 -1.1098 0.0
+ 2.0 3 h* nr cr n=1 -0.7358 0.0 0.4643 0.0 -1.1098 0.0
+ 2.0 3 h* nr cr n=2 -0.7358 0.0 0.4643 0.0 -1.1098 0.0
+ 1.1 1 n= c c c 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 2.0 3 n=1 c c c 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 2.0 3 n=2 c c c 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.1 1 nr cr nr h* -7.2378 0.0 1.9150 0.0 0.1436 0.0
+ 1.3 1 c' c n+ h+ -0.8792 0.0 -0.5978 0.0 -0.3242 0.0
+ 1.3 4 c* c n+ h+ -0.8792 0.0 -0.5978 0.0 -0.3242 0.0
+ 1.3 1 n+ c c' o' 0.0899 0.0 0.1220 0.0 0.0905 0.0
+ 1.3 1 n c c o -0.1820 0.0 -0.1084 0.0 -0.7047 0.0
+ 1.3 1 cp c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 1 cp c c h -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 1.3 1 c' c c cp 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 1 c c cp cp -0.2802 0.0 -0.0678 0.0 -0.0122 0.0
+ 1.3 1 c c cp np -0.2802 0.0 -0.0678 0.0 -0.0122 0.0
+ 1.3 1 h c cp np -0.2802 0.0 -0.0678 0.0 -0.0122 0.0
+ 1.3 1 c cp cp nh 0.0000 0.0 3.0202 0.0 0.0000 0.0
+ 1.3 1 c cp np cp 0.0000 0.0 5.6183 0.0 0.0000 0.0
+ 1.3 1 c- c n c' -0.0688 0.0 0.0762 0.0 -0.0618 0.0
+ 1.3 1 c- c n h* 0.0546 0.0 0.0756 0.0 0.0728 0.0
+ 1.3 1 n c c- o- 0.0899 0.0 0.1220 0.0 0.0905 0.0
+ 1.3 1 c- c c cp 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 1 n+ c c' n -0.0892 0.0 0.1259 0.0 -0.0884 0.0
+ 1.3 1 c' c c c- 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 1 s c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 1 c' c c s 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 1 c- c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 1 c' c c o -0.0858 0.0 -0.1320 0.0 -0.5909 0.0
+ 1.3 4 c* c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 4 c* c c c' -1.2352 0.0 -0.2551 0.0 -0.1335 0.0
+ 1.4 1 h c o cp 0.9513 0.0 0.1155 0.0 0.0720 0.0
+ 1.4 1 cp cp o c 0.0000 0.0 1.8000 0.0 0.0000 0.0
+ 1.5 1 cp c cp cp -0.2802 0.0 -0.0678 0.0 -0.0122 0.0
+
+
+
+#angle-angle-torsion_1 cff91
+
+> E = K * (Theta - Theta0) * (Theta' - Theta0') * (Phi - Phi1(0))
+!Ver Ref I J K L K(Ang,Ang,Tor)
+!---- --- ---- ---- ---- ---- --------------
+ 1.0 1 h c c h -12.5640
+ 1.0 1 c c c h -16.1640
+ 1.0 1 c c c c -22.0450
+ 1.0 1 c c= c= c -5.5205
+ 2.0 3 c c= c=1 c -5.5205
+ 2.0 3 c c= c=2 c -5.5205
+ 1.0 1 c c= c= h -7.6912
+ 2.0 3 c c= c=1 h -7.6912
+ 2.0 3 c c= c=2 h -7.6912
+ 2.0 3 c c=1 c= h -7.6912
+ 2.0 3 c c=1 c=1 h -7.6912
+ 2.0 3 c c=1 c=2 h -7.6912
+ 2.0 3 c c=2 c= h -7.6912
+ 2.0 3 c c=2 c=1 h -7.6912
+ 2.0 3 c c=2 c=2 h -7.6912
+ 1.0 1 h c= c= h -7.0058
+ 2.0 3 h c= c=1 h -7.0058
+ 2.0 3 h c= c=2 h -7.0058
+ 1.0 1 c c c= c= -20.3707
+ 2.0 3 c c c= c=1 -20.3707
+ 2.0 3 c c c= c=2 -20.3707
+ 2.0 3 c c c=1 c= -20.3707
+ 2.0 3 c c c=1 c=1 -20.3707
+ 2.0 3 c c c=1 c=2 -20.3707
+ 2.0 3 c c c=2 c= -20.3707
+ 2.0 3 c c c=2 c=1 -20.3707
+ 2.0 3 c c c=2 c=2 -20.3707
+ 1.0 1 h c c= c= -13.6826
+ 2.0 3 h c c= c=1 -13.6826
+ 2.0 3 h c c= c=2 -13.6826
+ 2.0 3 h c c=1 c= -13.6826
+ 2.0 3 h c c=1 c=1 -13.6826
+ 2.0 3 h c c=1 c=2 -13.6826
+ 2.0 3 h c c=2 c= -13.6826
+ 2.0 3 h c c=2 c=1 -13.6826
+ 2.0 3 h c c=2 c=2 -13.6826
+ 1.0 1 c c c= h -16.8993
+ 2.0 3 c c c=1 h -16.8993
+ 2.0 3 c c c=2 h -16.8993
+ 1.0 1 h c c= h -10.9512
+ 2.0 3 h c c=1 h -10.9512
+ 2.0 3 h c c=2 h -10.9512
+ 1.0 1 c c c c= -27.9127
+ 2.0 3 c c c c=1 -27.9127
+ 2.0 3 c c c c=2 -27.9127
+ 1.0 1 c= c c h -18.3717
+ 2.0 3 c=1 c c h -18.3717
+ 2.0 3 c=2 c c h -18.3717
+ 1.0 1 h c c= c -12.8653
+ 2.0 3 h c c=1 c -12.8653
+ 2.0 3 h c c=2 c -12.8653
+ 1.0 1 c c c= c -2.1072
+ 2.0 3 c c c=1 c -2.1072
+ 2.0 3 c c c=2 c -2.1072
+ 1.0 1 c= c c= c= -20.1370
+ 2.0 3 c= c c=1 c= -20.1370
+ 2.0 3 c= c c=2 c= -20.1370
+ 2.0 3 c= c c= c=1 -20.1370
+ 2.0 3 c= c c=1 c=1 -20.1370
+ 2.0 3 c= c c=2 c=1 -20.1370
+ 2.0 3 c= c c= c=2 -20.1370
+ 2.0 3 c= c c=1 c=2 -20.1370
+ 2.0 3 c= c c=2 c=2 -20.1370
+ 2.0 3 c=1 c c= c= -20.1370
+ 2.0 3 c=1 c c=1 c= -20.1370
+ 2.0 3 c=1 c c=2 c= -20.1370
+ 2.0 3 c=1 c c= c=1 -20.1370
+ 2.0 3 c=1 c c=1 c=1 -20.1370
+ 2.0 3 c=1 c c=2 c=1 -20.1370
+ 2.0 3 c=1 c c= c=2 -20.1370
+ 2.0 3 c=1 c c=1 c=2 -20.1370
+ 2.0 3 c=1 c c=2 c=2 -20.1370
+ 2.0 3 c=2 c c= c= -20.1370
+ 2.0 3 c=2 c c=1 c= -20.1370
+ 2.0 3 c=2 c c=2 c= -20.1370
+ 2.0 3 c=2 c c= c=1 -20.1370
+ 2.0 3 c=2 c c=1 c=1 -20.1370
+ 2.0 3 c=2 c c=2 c=1 -20.1370
+ 2.0 3 c=2 c c= c=2 -20.1370
+ 2.0 3 c=2 c c=1 c=2 -20.1370
+ 2.0 3 c=2 c c=2 c=2 -20.1370
+ 1.0 1 c= c c= h -8.3551
+ 2.0 3 c=1 c c= h -8.3551
+ 2.0 3 c=2 c c= h -8.3551
+ 2.0 3 c= c c=1 h -8.3551
+ 2.0 3 c=1 c c=1 h -8.3551
+ 2.0 3 c=2 c c=1 h -8.3551
+ 2.0 3 c= c c=2 h -8.3551
+ 2.0 3 c=1 c c=2 h -8.3551
+ 2.0 3 c=2 c c=2 h -8.3551
+ 1.0 1 c= c c c= -9.6558
+ 2.0 3 c=1 c c c= -9.6558
+ 2.0 3 c=2 c c c= -9.6558
+ 2.0 3 c=1 c c c=1 -9.6558
+ 2.0 3 c=2 c c c=2 -9.6558
+ 2.0 3 c=1 c c c=2 -9.6558
+ 1.0 1 h c o c -16.4438
+ 1.0 1 c c o c -19.0059
+ 1.0 1 h c c o -20.2006
+ 1.0 1 c c c o -29.0420
+ 1.0 1 o c c o -14.0484
+ 1.0 1 h c o h* -10.5093
+ 1.0 1 c c o h* -12.1038
+ 1.0 1 h c na c -12.5567
+ 1.0 1 h c na h* -10.4258
+ 1.0 1 c c na h* -7.5499
+ 1.0 1 c c na c -24.3818
+ 1.0 1 h c c na -15.7572
+ 1.0 1 c c c na -27.3953
+ 1.0 1 na c c na -11.2307
+ 1.0 1 c c s h -28.1728
+ 1.0 1 h c s h -18.6334
+ 1.0 1 s c c s -13.9674
+ 1.0 1 h c c s -13.1026
+ 1.0 1 c c s c -32.8949
+ 1.0 1 h c s c -26.4900
+ 1.0 1 c s s c -16.7205
+ 1.0 1 c c s s -24.3566
+ 1.0 1 h c s s -19.9315
+ 1.0 1 s c s c -16.2487
+ 1.0 1 c c c s -26.7100
+ 1.0 1 c s s h -28.2282
+ 1.0 1 h s s h -20.9653
+ 1.0 1 s c s h -7.5707
+ 1.0 4 c c c c* -20.3304
+ 1.0 4 c* c c h -14.3155
+ 1.0 4 c c c* h -9.8926
+ 1.0 4 c c c* o' -24.7000
+ 1.0 4 h c c* h -9.3256
+ 1.0 4 h c c* o' -23.1923
+ 1.0 4 c c c* c -10.3309
+ 1.0 4 h c c* c -12.8684
+ 1.0 4 c* c c c* -4.2783
+ 1.0 4 h c c* o -13.9734
+ 1.0 4 o' c* o h* -16.1882
+ 1.0 4 c c* o h* -10.5663
+ 1.0 4 o c c* o' -23.6140
+ 1.0 4 o' c* o c -32.9368
+ 1.0 4 h c o c* -13.1500
+ 1.0 4 c c* o c -12.2070
+ 1.0 4 c c c* o -0.8819
+ 1.0 4 c c o c* -15.7082
+ 1.0 4 h c* o c -9.5860
+ 1.0 4 c* c o c* -4.2319
+ 1.0 4 o c c* h -2.0131
+ 1.0 4 h c* o h* -6.2388
+ 1.0 4 c* c c o -32.4436
+ 1.0 1 o' c' n c -15.5547
+ 1.0 1 o' c' n h* -7.3186
+ 1.0 1 c c' n c -6.5335
+ 1.0 1 c c' n h* -1.3234
+ 1.0 1 h c c' o' -15.3496
+ 1.0 1 h c c' n -12.2417
+ 1.0 1 c' c n c' -9.2222
+ 1.0 1 c c n c' -7.4314
+ 1.0 1 h c n c' -8.1335
+ 1.0 1 c' c n h* -0.9915
+ 1.0 1 c c n h* -4.6337
+ 1.0 1 h c n h* -6.6590
+ 1.0 1 n c c' o' -6.5339
+ 1.0 1 n c c' n -1.7888
+ 1.0 1 c c c' o' -8.0190
+ 1.0 1 c c c' n -5.4514
+ 1.0 1 h c c n -12.7974
+ 1.0 1 c' c c h -5.3624
+ 1.0 1 h c' n c -5.5930
+ 1.0 1 h c' n h* -5.3514
+ 1.0 1 c c c n -1.0631
+ 1.0 1 c c c c' -0.3801
+ 1.0 1 c c n c -1.7549
+ 1.0 1 h c n c -12.2367
+ 1.0 1 c' c c c' 0.1398
+ 1.0 1 c' c c n 0.3510
+ 1.0 1 c' c n c 0.1586
+ 1.0 1 n c' n h* -1.5159
+ 1.0 1 o' c' n c' -3.3556
+ 1.0 1 h c' n c' -0.7515
+ 1.0 1 cp cp cp cp 0.0000
+ 1.0 1 cp cp cp h -4.8141
+ 1.0 1 h cp cp h 0.3598
+ 1.0 1 cp cp np cp 0.0000
+ 1.0 1 h cp np cp -8.7021
+ 1.0 1 cp cp cp np 0.0000
+ 1.0 1 h cp cp np -7.3709
+ 1.0 1 np cp np cp 0.0000
+ 1.0 1 np cp cp np 0.0000
+ 1.0 1 cp np np cp 0.0000
+ 1.0 1 cp cp np np 0.0000
+ 1.0 1 h cp np np -8.7693
+ 1.0 1 cp cp nh h* 0.1778
+ 1.0 1 h cp nh h* -1.9416
+ 1.0 1 cp cp nh cp 0.0000
+ 1.0 1 h cp nh cp -2.3617
+ 1.0 1 cp cp cp nh 0.0000
+ 1.0 1 h cp cp nh -1.3637
+ 1.0 1 np cp nh cp 0.0000
+ 1.0 1 np cp nh h* -5.3541
+ 1.0 1 nh cp np cp 0.0000
+ 1.0 1 nh cp cp np 0.0000
+ 1.0 1 cp nh np cp 0.0000
+ 1.0 1 h* nh np cp 5.3945
+ 1.0 1 cp cp nh np 0.0000
+ 1.0 1 h cp nh np 9.7176
+ 1.0 1 cp cp np nh 0.0000
+ 1.0 1 h cp np nh -8.1940
+ 1.0 1 cp cp op cp 0.0000
+ 1.0 1 h cp op cp -13.3085
+ 1.0 1 cp cp cp op 0.0000
+ 1.0 1 h cp cp op -6.0317
+ 1.0 1 np cp op cp 0.0000
+ 1.0 1 op cp np cp 0.0000
+ 1.0 1 np cp cp op 0.0000
+ 1.0 1 op cp np np 0.0000
+ 1.0 1 cp cp sp cp 0.0000
+ 1.0 1 h cp sp cp -12.4136
+ 1.0 1 cp cp cp sp 0.0000
+ 1.0 1 h cp cp sp -8.2210
+ 1.0 1 np cp sp cp 0.0000
+ 1.0 1 sp cp np cp 0.0000
+ 1.0 1 np cp cp sp 0.0000
+ 1.0 1 sp cp np np 0.0000
+ 1.0 1 nh cp nh cp 0.0000
+ 1.0 1 nh cp nh h* -0.3671
+ 1.0 1 nh cp cp nh 0.0000
+ 1.0 1 cp cp cp o -21.0247
+ 1.0 1 h cp cp o 4.2296
+ 1.0 1 cp cp o h* -4.6072
+ 1.0 1 c cp cp cp -14.4097
+ 1.0 1 c cp cp h 4.4444
+ 1.0 1 h c cp cp -5.8888
+ 1.0 1 cp cp cp nn 0.0000
+ 1.0 1 h cp cp nn 0.0000
+ 1.0 1 cp cp nn h* -7.1755
+ 1.0 1 nn cp np cp 0.0000
+ 1.0 1 np cp nn h* -8.0600
+ 1.0 1 c c n+ h+ -15.9511
+ 1.0 1 h c n+ h+ -9.0674
+ 1.0 1 c c c n+ -41.0718
+ 1.0 1 h c c n+ -18.9263
+ 1.0 1 h c n+ c -14.0443
+ 1.0 1 c c n+ c -18.1594
+ 1.0 1 h c c- o- -19.4570
+ 1.0 1 c c c c- -34.6290
+ 1.0 1 c- c c h -15.6070
+ 1.0 1 c c c- o- -28.7420
+ 1.0 1 nr c+ nr h* -4.4896
+ 1.0 1 h c c nr -27.5064
+ 1.0 1 c c nr c+ -28.6245
+ 1.0 1 c c nr h* -8.8981
+ 1.0 1 h c nr c+ -8.0135
+ 1.0 1 h c nr h* -9.6278
+ 1.0 1 nr c+ nr c -14.5350
+ 1.1 1 n= cr nr h* -4.4896
+ 2.0 3 n=1 cr nr h* -4.4896
+ 2.0 3 n=2 cr nr h* -4.4896
+ 1.1 1 h c c n= -27.5064
+ 2.0 3 h c c n=1 -27.5064
+ 2.0 3 h c c n=2 -27.5064
+ 1.1 1 c c n= cr -28.6245
+ 2.0 3 c c n=1 cr -28.6245
+ 2.0 3 c c n=2 cr -28.6245
+ 1.1 1 h c n= cr -8.0135
+ 2.0 3 h c n=1 cr -8.0135
+ 2.0 3 h c n=2 cr -8.0135
+ 1.1 1 nr cr n= c -14.5350
+ 2.0 3 nr cr n=1 c -14.5350
+ 2.0 3 nr cr n=2 c -14.5350
+ 1.1 1 c c c n= 0.00000
+ 2.0 3 c c c n=1 0.00000
+ 2.0 3 c c c n=2 0.00000
+ 1.3 1 c' c n+ h+ 0.00000
+ 1.3 4 c* c n+ h+ 0.00000
+ 1.3 1 n+ c c' o' 0.00000
+ 1.3 1 n c c o 0.00000
+ 1.3 1 cp c c n 0.00000
+ 1.3 1 cp c c h 0.00000
+ 1.3 1 c' c c cp 0.00000
+ 1.3 1 c c cp cp 0.00000
+ 1.3 1 c c cp np 0.00000
+ 1.3 1 h c cp np 0.00000
+ 1.3 1 c cp cp nh 0.00000
+ 1.3 1 c cp np cp 0.00000
+ 1.3 1 c- c n c' 0.00000
+ 1.3 1 c- c n h* 0.00000
+ 1.3 1 n c c- o- 0.00000
+ 1.3 1 c- c c cp 0.00000
+ 1.3 1 n+ c c' n 0.00000
+ 1.3 1 c' c c c- 0.00000
+ 1.3 1 s c c n 0.00000
+ 1.3 1 c' c c s 0.00000
+ 1.3 1 c- c c n 0.00000
+ 1.3 1 c' c c o 0.00000
+ 1.3 4 c* c c n 0.00000
+ 1.3 4 c* c c c' 0.00000
+
+
+
+
+
+
+
+#end_bond-torsion_3 cff91
+
+> E = (R - R0) * SUM { V(n) * cos[n*phi] }
+
+! LEFT RIGHT
+! ------------------------------- -------------------------------
+!Ver Ref I J K L F(1) F(2) F(3) F(1) F(2) F(3)
+!---- --- ---- ---- ---- ---- ------- ------- ------- ------- ------- -------
+ 1.0 1 h c c h 0.2130 0.3120 0.0777
+ 1.0 1 c c c h 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219
+ 1.0 1 c c c c -0.0732 0.0000 0.0000
+ 1.0 1 c c= c= c -0.5916 0.0000 -0.5440
+ 2.0 3 c c= c=1 c -0.5916 0.0000 -0.5440 -0.5916 0.0000 -0.5440
+ 2.0 3 c c= c=2 c -0.5916 0.0000 -0.5440 -0.5916 0.0000 -0.5440
+ 1.0 1 c c= c= h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 2.0 3 c c= c=1 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 2.0 3 c c= c=2 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 2.0 3 c c=1 c= h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 2.0 3 c c=1 c=1 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 2.0 3 c c=1 c=2 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 2.0 3 c c=2 c= h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 2.0 3 c c=2 c=1 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 2.0 3 c c=2 c=2 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 1.0 1 h c= c= h 0.7129 0.5161 0.0000
+ 2.0 3 h c= c=1 h 0.7129 0.5161 0.0000 0.7129 0.5161 0.0000
+ 2.0 3 h c= c=2 h 0.7129 0.5161 0.0000 0.7129 0.5161 0.0000
+ 2.0 3 c c c= c= 0.1159 0.0000 -0.8513 -0.6486 0.0000 -0.8394
+ 2.0 3 c c c= c=1 0.1159 0.0000 -0.8513 -0.6486 0.0000 -0.8394
+ 2.0 3 c c c= c=2 0.1159 0.0000 -0.8513 -0.6486 0.0000 -0.8394
+ 2.0 3 c c c=1 c= 0.1159 0.0000 -0.8513 -0.6486 0.0000 -0.8394
+ 2.0 3 c c c=2 c= 0.1159 0.0000 -0.8513 -0.6486 0.0000 -0.8394
+ 1.0 1 h c c= c= 1.9787 0.0000 -0.1805 0.8566 0.0000 0.0811
+ 2.0 3 h c c= c=1 1.9787 0.0000 -0.1805 0.8566 0.0000 0.0811
+ 2.0 3 h c c= c=2 1.9787 0.0000 -0.1805 0.8566 0.0000 0.0811
+ 2.0 3 h c c=1 c= 1.9787 0.0000 -0.1805 0.8566 0.0000 0.0811
+ 2.0 3 h c c=2 c= 1.9787 0.0000 -0.1805 0.8566 0.0000 0.0811
+ 1.0 1 c c c= h 0.1852 0.0000 0.5906 1.1730 0.0000 -0.0582
+ 2.0 3 c c c=1 h 0.1852 0.0000 0.5906 1.1730 0.0000 -0.0582
+ 2.0 3 c c c=2 h 0.1852 0.0000 0.5906 1.1730 0.0000 -0.0582
+ 1.0 1 h c c= h 0.2212 0.0000 0.0915 0.5934 0.0000 0.0424
+ 2.0 3 h c c=1 h 0.2212 0.0000 0.0915 0.5934 0.0000 0.0424
+ 2.0 3 h c c=2 h 0.2212 0.0000 0.0915 0.5934 0.0000 0.0424
+ 1.0 1 c c c c= -0.6028 0.0000 0.7675 1.0356 0.0000 0.0506
+ 2.0 3 c c c c=1 -0.6028 0.0000 0.7675 1.0356 0.0000 0.0506
+ 2.0 3 c c c c=2 -0.6028 0.0000 0.7675 1.0356 0.0000 0.0506
+ 1.0 1 c= c c h 0.9856 0.0000 -0.0864 0.1954 0.0000 -0.0871
+ 2.0 3 c=1 c c h 0.9856 0.0000 -0.0864 0.1954 0.0000 -0.0871
+ 2.0 3 c=2 c c h 0.9856 0.0000 -0.0864 0.1954 0.0000 -0.0871
+ 1.0 1 h c c= c 0.2140 0.0000 0.2238 0.7648 0.0000 0.0440
+ 2.0 3 h c c=1 c 0.2140 0.0000 0.2238 0.7648 0.0000 0.0440
+ 2.0 3 h c c=2 c 0.2140 0.0000 0.2238 0.7648 0.0000 0.0440
+ 1.0 1 c c c= c 0.5103 0.0000 0.4852 0.6079 0.0000 0.1720
+ 2.0 3 c c c=1 c 0.5103 0.0000 0.4852 0.6079 0.0000 0.1720
+ 2.0 3 c c c=2 c 0.5103 0.0000 0.4852 0.6079 0.0000 0.1720
+ 1.0 1 c= c c= c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c= c c= c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c= c c= c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c= c c=1 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c= c c=1 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c= c c=1 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c= c c=2 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c= c c=2 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c= c c=2 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=1 c c= c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=1 c c= c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=1 c c= c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=1 c c=1 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=1 c c=1 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=1 c c=1 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=1 c c=2 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=1 c c=2 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=1 c c=2 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=2 c c= c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=2 c c= c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=2 c c= c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=2 c c=1 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=2 c c=1 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=2 c c=1 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=2 c c=2 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=2 c c=2 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 2.0 3 c=2 c c=2 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c= c c= h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 2.0 3 c=1 c c= h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 2.0 3 c=2 c c= h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 2.0 3 c= c c=1 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 2.0 3 c=1 c c=1 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 2.0 3 c=2 c c=1 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 2.0 3 c= c c=2 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 2.0 3 c=1 c c=2 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 2.0 3 c=2 c c=2 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 1.0 1 c= c c c= 1.0166 0.0000 0.0446
+ 2.0 3 c=1 c c c= 1.0166 0.0000 0.0446 1.0166 0.0000 0.0446
+ 2.0 3 c=2 c c c= 1.0166 0.0000 0.0446 1.0166 0.0000 0.0446
+ 2.0 3 c=1 c c c=1 1.0166 0.0000 0.0446
+ 2.0 3 c=2 c c c=2 1.0166 0.0000 0.0446
+ 2.0 3 c=1 c c c=2 1.0166 0.0000 0.0446 1.0166 0.0000 0.0446
+ 1.0 1 h c o c -0.6054 1.3339 0.9648 -0.1620 0.1564 -1.1408
+ 1.0 1 c c o c -0.2456 1.0517 -0.7795 0.4741 1.2635 0.5576
+ 1.0 1 h c c o 0.9681 0.9551 0.0436 0.5903 0.6669 0.8584
+ 1.0 1 c c c o -0.3190 0.4411 -0.7174 1.1538 0.8409 -0.9138
+ 1.0 1 o c c o 1.0165 0.7553 -0.4609
+ 1.0 1 h c o h* -1.7554 1.3145 0.2263 0.2493 0.6803 0.0000
+ 1.0 1 c c o h* -0.5800 0.9004 0.0000 0.0000 0.5343 0.9025
+ 1.0 1 h c na c -0.5892 0.7140 0.3505 0.0628 0.0873 -0.0882
+ 1.0 1 h c na h* -1.1685 0.9266 -0.0993 0.0850 0.3061 0.2104
+ 1.0 1 c c na h* -0.9466 0.9356 -0.5542 0.0570 0.0625 0.4112
+ 1.0 1 c c na c 0.0997 -0.0046 -0.2657 -0.0128 -0.0495 -0.1079
+ 1.0 1 h c c na 0.1960 0.7056 0.1120 0.1022 0.2090 0.6433
+ 1.0 1 c c c na 0.1032 0.5896 -0.4836 0.0579 -0.0043 -0.1906
+ 1.0 1 na c c na 0.0286 0.0566 -0.0493
+ 1.0 1 c c s h 0.1026 0.0936 -0.0404 -0.3008 0.0606 0.4501
+ 1.0 1 h c s h 0.4376 0.2001 -1.0696 0.2902 0.0695 0.1726
+ 1.0 1 s c c s -0.3252 0.5008 0.5191
+ 1.0 1 h c c s -0.1526 -0.3710 0.1048 1.0661 0.3298 0.4250
+ 1.0 1 c c s c -0.2542 -0.7984 -0.6525 -0.3047 -0.0109 -0.3763
+ 1.0 1 h c s c -0.4100 0.0668 0.4187 0.2592 -0.0166 0.1306
+ 1.0 1 c s s c -0.0160 0.0642 -0.0775
+ 1.0 1 c c s s -0.0989 -0.1548 -0.1585 0.1090 -0.4514 -0.2840
+ 1.0 1 h c s s 0.0538 -0.3336 0.3458 0.0339 0.7691 -0.2377
+ 1.0 1 s c s c 0.1282 -0.1663 0.1418 0.1282 -0.1663 0.1418
+ 1.0 1 c c c s -0.1586 -0.7244 -0.2608 -0.7991 -0.9590 0.5855
+ 1.0 1 c s s h 0.2475 0.6411 0.2772 0.0526 0.2152 0.0004
+ 1.0 1 h s s h -0.0171 0.5036 0.0749
+ 1.0 1 s c s h -0.0051 -0.0077 0.0332 0.0477 -0.0121 0.0282
+ 1.0 4 c c c c* -1.9497 -1.4949 0.1225 -1.5243 -1.0182 -0.2416
+ 1.0 4 c* c c h 0.2217 0.4780 -0.0817 0.0870 0.5143 -0.2448
+ 1.0 4 c c c* h 0.9339 1.2459 0.1801 -0.3141 -0.5118 0.3186
+ 1.0 4 c c c* o' 1.5188 0.8667 0.2685 0.4883 -0.3582 0.3711
+ 1.0 4 h c c* h 0.7414 0.6431 0.3941 0.2593 -0.0896 0.1890
+ 1.0 4 h c c* o' 2.9036 0.5307 0.1439 0.0536 -0.2775 0.1463
+ 1.0 4 c c c* c -0.3054 0.5117 0.1196 0.0055 -0.2149 0.1461
+ 1.0 4 h c c* c 1.2635 0.7301 0.4455 0.1069 -0.4290 -0.0369
+ 1.0 4 c* c c c* 0.8618 0.7987 0.3127
+ 1.0 4 h c c* o 0.7800 1.3339 0.3268 0.4160 -0.1140 0.7099
+ 1.0 4 o' c* o h* -8.0054 3.3904 1.6447 1.7711 -2.7508 -2.6099
+ 1.0 4 c c* o h* -2.0773 0.1649 0.3832 -0.4052 -3.0652 1.3562
+ 1.0 4 o c c* o' 0.8761 0.3895 -0.5940 3.0121 -2.8208 1.7493
+ 1.0 4 o' c* o c -4.2421 10.1102 1.6824 0.0882 -2.4309 -0.7426
+ 1.0 4 h c o c* 0.9589 0.9190 -0.6015 0.2282 2.2998 -0.4473
+ 1.0 4 c c* o c 0.1928 1.3187 0.8599 0.0004 -1.0975 0.4831
+ 1.0 4 c c c* o 0.8660 0.2340 0.2903 2.4127 -1.0894 0.1203
+ 1.0 4 c c o c* -1.2164 -0.1715 -0.0964 0.2560 0.8133 -0.0728
+ 1.0 4 h c* o c -1.6774 1.7552 0.8319 1.5173 -1.5292 1.4230
+ 1.0 4 c* c o c* -0.2051 -0.3586 0.5647 0.0112 1.3736 0.6835
+ 1.0 4 o c c* h 0.1839 0.3790 -0.4879 0.6210 -1.1876 -0.3059
+ 1.0 4 h c* o h* -1.8839 1.7260 -0.3706 -0.4431 -0.0596 0.3788
+ 1.0 4 c* c c o -2.5523 -5.9240 -2.4224 -4.8427 -2.4399 -3.2517
+ 1.0 1 o' c' n c 0.1226 -2.1326 0.5581 0.1598 0.7253 -0.1007
+ 1.0 1 o' c' n h* -0.7604 -2.6431 1.2467 0.1214 0.1936 0.0816
+ 1.0 1 c c' n c 0.0933 -0.4631 0.2883 0.2299 -0.1141 -0.1424
+ 1.0 1 c c' n h* -0.6979 0.5619 0.4212 0.6413 0.1676 0.1440
+ 1.0 1 h c c' o' 1.2143 0.2831 0.3916 -0.2298 0.0354 0.3853
+ 1.0 1 h c c' n -0.0268 0.7836 0.0035 0.3552 -0.2685 0.5834
+ 1.0 1 c' c n c' -0.1788 0.2144 -0.2799 -0.4449 0.4259 -0.4353
+ 1.0 1 c c n c' -0.2033 0.0035 0.0560 -0.1245 -0.9369 0.7781
+ 1.0 1 h c n c' -0.3667 0.8197 0.1335 0.2292 1.1732 -0.0580
+ 1.0 1 c' c n h* 0.1092 0.3359 0.0922 0.9007 0.2966 0.0585
+ 1.0 1 c c n h* 0.1320 0.0015 0.1324 -0.0992 -0.0727 -0.4139
+ 1.0 1 h c n h* -0.8983 0.2826 0.0881 -0.4894 0.1644 0.3105
+ 1.0 1 n c c' o' -0.0762 0.2614 0.1618 1.0046 -0.3307 0.6519
+ 1.0 1 n c c' n -0.1738 0.0719 -0.5968 -0.0127 0.0194 -0.9570
+ 1.0 1 c c c' o' 0.2654 0.0503 0.1046 -0.2810 0.0816 -0.1522
+ 1.0 1 c c c' n -0.2631 -0.0076 -0.1145 -0.2751 -0.3058 -0.1767
+ 1.0 1 h c c n -0.0601 -0.3763 -0.1876 0.3022 0.2513 0.4641
+ 1.0 1 c' c c h -0.0204 0.3628 -0.4426 -0.0097 -0.0315 -0.0755
+ 1.0 1 h c' n c -0.5926 -0.0045 0.1486 -0.5331 0.5728 -0.0646
+ 1.0 1 h c' n h* -0.2569 0.4785 0.3565 0.0984 0.5577 0.1172
+ 1.0 1 c c c n 0.0742 0.0105 0.0518 -0.0797 -0.0406 0.0255
+ 1.0 1 c c c c' 0.0062 -0.0002 0.0036 0.0055 0.0060 -0.0009
+ 1.0 1 c c n c -0.1252 -0.1130 -0.0771 -0.0819 -0.0073 -0.0932
+ 1.0 1 h c n c -1.3479 0.7998 0.6752 0.1251 0.3245 -0.0745
+ 1.0 1 c' c c c' 0.0054 -0.0005 -0.0045
+ 1.0 1 c' c c n -0.1317 -0.1114 -0.1157 -0.1685 -0.1479 -0.1479
+ 1.0 1 c' c n c 0.0667 -0.0791 -0.0926 0.0182 -0.0906 -0.0804
+ 1.0 1 n c' n h* 0.0769 -0.5294 -0.0042 -0.4880 -0.7127 0.1319
+ 1.0 1 o' c' n c' -0.7019 0.8305 -0.6874 0.1726 -0.4823 0.2666
+ 1.0 1 h c' n c' 0.1143 0.1475 0.1538 -0.2108 -0.4200 -0.2274
+ 1.0 1 cp cp cp cp -0.1185 6.3204 0.0000
+ 1.0 1 cp cp cp h 0.0000 -6.8958 0.0000 0.0000 -0.4669 0.0000
+ 1.0 1 h cp cp h 0.0000 -0.6890 0.0000
+ 1.0 1 cp cp np cp 0.0000 1.9805 0.0000 0.0000 -6.3497 0.0000
+ 1.0 1 h cp np cp 0.0000 -1.0221 0.0000 0.0000 -4.8509 0.0000
+ 1.0 1 cp cp cp np 0.0000 6.2672 0.0000 0.0000 -6.2992 0.0000
+ 1.0 1 h cp cp np 0.0000 -1.2311 0.0000 0.0000 -1.9352 0.0000
+ 1.0 1 np cp np cp 0.0000 -3.6669 0.0000 0.0000 -3.6669 0.0000
+ 1.0 1 np cp cp np 0.0000 3.3210 0.0000
+ 1.0 1 cp np np cp 0.0000 -7.7834 0.0000
+ 1.0 1 cp cp np np 0.0000 -6.3092 0.0000 0.0000 -7.0651 0.0000
+ 1.0 1 h cp np np 0.0000 -0.8462 0.0000 0.0000 -6.5512 0.0000
+ 1.0 1 cp cp nh h* 0.0000 0.5529 0.0000 0.0000 1.4827 0.0000
+ 1.1 1 cp cp nh hi 0.0000 0.5529 0.0000 0.0000 1.4827 0.0000
+ 1.0 1 h cp nh h* 0.0000 -1.3013 0.0000 0.0000 0.5984 0.0000
+ 1.1 1 h cp nh hi 0.0000 -1.3013 0.0000 0.0000 0.5984 0.0000
+ 1.0 1 cp cp nh cp 7.8553 -6.9841 0.0000 3.8492 -3.6376 0.0000
+ 1.0 1 h cp nh cp 0.0000 -2.5423 0.0000 0.0000 -7.1818 0.0000
+ 1.0 1 cp cp cp nh -10.5196 -4.0642 0.0000 24.2413 -1.8113 0.0000
+ 1.0 1 h cp cp nh 0.0000 -1.8838 0.0000 0.0000 -4.1027 0.0000
+ 1.0 1 np cp nh cp 0.0000 -7.2477 0.0000 0.0000 8.5617 0.0000
+ 1.0 1 np cp nh h* 0.0000 5.5530 0.0000 0.0000 -1.0387 0.0000
+ 1.1 1 np cp nh hi 0.0000 5.5530 0.0000 0.0000 -1.0387 0.0000
+ 1.0 1 nh cp np cp 0.0000 -8.2237 0.0000 0.0000 -13.8845 0.0000
+ 1.0 1 nh cp cp np 0.0000 15.4529 0.0000 0.0000 -11.7968 0.0000
+ 1.0 1 cp nh np cp 0.0000 -6.2085 0.0000 0.0000 -3.9886 0.0000
+ 1.0 1 h* nh np cp 0.0000 5.5956 0.0000 0.0000 -5.2773 0.0000
+ 1.1 1 hi nh np cp 0.0000 5.5956 0.0000 0.0000 -5.2773 0.0000
+ 1.0 1 cp cp nh np 0.0000 -13.9860 0.0000 0.0000 -2.4583 0.0000
+ 1.0 1 h cp nh np 0.0000 -5.0676 0.0000 0.0000 -5.0077 0.0000
+ 1.0 1 cp cp np nh 0.0000 -11.5905 0.0000 0.0000 0.0442 0.0000
+ 1.0 1 h cp np nh 0.0000 -2.4778 0.0000 0.0000 -2.6683 0.0000
+ 1.0 1 cp cp op cp 0.0000 -10.4096 0.0000 0.0000 -22.4567 0.0000
+ 1.0 1 h cp op cp 0.0000 -4.3953 0.0000 0.0000 -6.7824 0.0000
+ 1.0 1 cp cp cp op 0.0000 -30.5414 0.0000 0.0000 -19.3285 0.0000
+ 1.0 1 h cp cp op 0.0000 -2.2536 0.0000 0.0000 -5.7259 0.0000
+ 1.0 1 np cp op cp 0.0000 -6.6177 0.0000 0.0000 -19.1321 0.0000
+ 1.0 1 op cp np cp 0.0000 0.5426 0.0000 0.0000 -32.3259 0.0000
+ 1.0 1 np cp cp op 0.0000 -29.5950 0.0000 0.0000 -16.2318 0.0000
+ 1.0 1 op cp np np 0.0000 -9.7987 0.0000 0.0000 -29.4681 0.0000
+ 1.0 1 cp cp sp cp 0.0000 -9.1100 0.0000 0.0000 -18.7776 0.0000
+ 1.0 1 h cp sp cp 0.0000 -3.7649 0.0000 0.0000 -2.0958 0.0000
+ 1.0 1 cp cp cp sp 0.0000 -30.7924 0.0000 0.0000 -24.8529 0.0000
+ 1.0 1 h cp cp sp 0.0000 -2.0724 0.0000 0.0000 -0.6978 0.0000
+ 1.0 1 np cp sp cp 0.0000 31.4198 0.0000 0.0000 -20.9832 0.0000
+ 1.0 1 sp cp np cp 0.0000 -4.0502 0.0000 0.0000 -43.8459 0.0000
+ 1.0 1 np cp cp sp 0.0000 -27.7459 0.0000 0.0000 -17.3693 0.0000
+ 1.0 1 sp cp np np 0.0000 -2.8184 0.0000 0.0000 -37.3597 0.0000
+ 1.0 1 nh cp nh cp 0.0000 -6.0684 0.0000 0.0000 -6.0684 0.0000
+ 1.0 1 nh cp nh h* 0.0000 -4.6086 0.0000 0.0000 -0.2994 0.0000
+ 1.1 1 nh cp nh hi 0.0000 -4.6086 0.0000 0.0000 -0.2994 0.0000
+ 1.0 1 nh cp cp nh 0.0000 1.0731 0.0000
+ 1.0 1 cp cp cp o 0.0000 0.2655 0.0000 0.0000 4.8905 0.0000
+ 1.0 1 h cp cp o 0.0000 -1.5867 0.0000 0.0000 4.2641 0.0000
+ 1.0 1 cp cp o h* 0.9000 -1.3456 1.1900 3.4132 0.5873 -0.1323
+ 1.0 1 c cp cp cp 0.0000 0.2421 0.0000 0.0000 -0.6918 0.0000
+ 1.0 1 c cp cp h 0.0000 -1.7970 0.0000 0.0000 -0.4879 0.0000
+ 1.0 1 h c cp cp 1.3997 0.7756 0.0000 -0.5835 1.1220 0.3978
+ 1.0 1 cp cp cp nn 0.0000 -6.5404 0.0000 0.0000 -7.3477 0.0000
+ 1.0 1 h cp cp nn 0.0000 -2.6482 0.0000 0.0000 -1.6402 0.0000
+ 1.0 1 cp cp nn h* 0.0000 -3.7281 0.0000 0.0000 0.2849 0.0000
+ 1.0 1 nn cp np cp 0.0000 -0.1327 0.0000 0.0000 -5.7542 0.0000
+ 1.0 1 np cp nn h* 0.0000 -2.7288 0.0000 0.0000 -0.7643 0.0000
+ 1.0 1 c c n+ h+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c n+ h+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c c n+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c c n+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c n+ c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c n+ c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c c- o- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c c c- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c- c c h 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c c- o- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 nr c+ nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c c nr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c nr c+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c nr c+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 nr c+ nr c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 n= cr nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 n=1 cr nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 n=2 cr nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 h c c n= 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 h c c n=1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 h c c n=2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 c c n= cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 c c n=1 cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 c c n=2 cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 c c c n= 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 c c c n=1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 c c c n=2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 h c n= cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 h c n=1 cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 h c n=2 cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 c n= cr nr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 c n=1 cr nr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 2.0 3 c n=2 cr nr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c' c n+ h+ 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 4 c* c n+ h+ 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n+ c c' o' 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n c c o 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 cp c c n 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 cp c c h 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c' c c cp 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c c cp cp 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c c cp np 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 h c cp np 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c cp cp nh 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c cp np cp 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c n c' 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c n h* 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n c c- o- 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c c cp 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n+ c c' n 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c' c c c- 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 s c c n 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c' c c s 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c c n 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c' c c o 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 4 c* c c n 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 4 c* c c c' 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+
+
+
+#middle_bond-torsion_3 cff91
+
+> E = (R - R0) *
+> { F(1) * cos(phi) + F(2) * cos(2 * phi) + F(3) * cos(3 * phi) }
+
+!Ver Ref I J K L F(1) F(2) F(3)
+!---- --- ---- ---- ---- ---- -------- ------- -------
+ 1.0 1 h c c h -14.2610 -0.5322 -0.4864
+ 1.0 1 c c c h -14.8790 -3.6581 -0.3138
+ 1.0 1 c c c c -17.7870 -7.1877 0.0000
+ 1.0 1 c c= c= c -0.1899 5.5768 0.0000
+ 2.0 3 c c= c=1 c -0.1899 5.5768 0.0000
+ 2.0 3 c c= c=2 c -0.1899 5.5768 0.0000
+ 1.0 1 c c= c= h 1.1220 6.0669 0.0000
+ 2.0 3 c c= c=1 h 1.1220 6.0669 0.0000
+ 2.0 3 c c= c=2 h 1.1220 6.0669 0.0000
+ 2.0 3 c c=1 c= h 1.1220 6.0669 0.0000
+ 2.0 3 c c=1 c=1 h 1.1220 6.0669 0.0000
+ 2.0 3 c c=1 c=2 h 1.1220 6.0669 0.0000
+ 2.0 3 c c=2 c= h 1.1220 6.0669 0.0000
+ 2.0 3 c c=2 c=1 h 1.1220 6.0669 0.0000
+ 2.0 3 c c=2 c=2 h 1.1220 6.0669 0.0000
+ 1.0 1 h c= c= h 0.8558 6.3911 0.0000
+ 2.0 3 h c= c=1 h 0.8558 6.3911 0.0000
+ 2.0 3 h c= c=2 h 0.8558 6.3911 0.0000
+ 1.0 1 c c c= c= -2.1444 0.0000 -0.1038
+ 2.0 3 c c c=1 c= -2.1444 0.0000 -0.1038
+ 2.0 3 c c c=2 c= -2.1444 0.0000 -0.1038
+ 2.0 3 c c c= c=1 -2.1444 0.0000 -0.1038
+ 2.0 3 c c c=1 c=1 -2.1444 0.0000 -0.1038
+ 2.0 3 c c c=2 c=1 -2.1444 0.0000 -0.1038
+ 2.0 3 c c c= c=2 -2.1444 0.0000 -0.1038
+ 2.0 3 c c c=1 c=2 -2.1444 0.0000 -0.1038
+ 2.0 3 c c c=2 c=2 -2.1444 0.0000 -0.1038
+ 1.0 1 h c c= c= -1.5727 0.0000 0.6565
+ 2.0 3 h c c=1 c= -1.5727 0.0000 0.6565
+ 2.0 3 h c c=2 c= -1.5727 0.0000 0.6565
+ 2.0 3 h c c= c=1 -1.5727 0.0000 0.6565
+ 2.0 3 h c c=1 c=1 -1.5727 0.0000 0.6565
+ 2.0 3 h c c=2 c=1 -1.5727 0.0000 0.6565
+ 2.0 3 h c c= c=2 -1.5727 0.0000 0.6565
+ 2.0 3 h c c=1 c=2 -1.5727 0.0000 0.6565
+ 2.0 3 h c c=2 c=2 -1.5727 0.0000 0.6565
+ 1.0 1 c c c= h 1.2814 0.0000 -1.1022
+ 2.0 3 c c c=1 h 1.2814 0.0000 -1.1022
+ 2.0 3 c c c=2 h 1.2814 0.0000 -1.1022
+ 1.0 1 h c c= h 1.8730 0.0000 -0.3702
+ 2.0 3 h c c=1 h 1.8730 0.0000 -0.3702
+ 2.0 3 h c c=2 h 1.8730 0.0000 -0.3702
+ 1.0 1 c c c c= -2.2408 0.0000 -5.4870
+ 2.0 3 c c c c=1 -2.2408 0.0000 -5.4870
+ 2.0 3 c c c c=2 -2.2408 0.0000 -5.4870
+ 1.0 1 c= c c h -5.0113 0.0000 0.5895
+ 2.0 3 c=1 c c h -5.0113 0.0000 0.5895
+ 2.0 3 c=2 c c h -5.0113 0.0000 0.5895
+ 1.0 1 h c c= c 1.8427 0.0000 -0.2743
+ 2.0 3 h c c=1 c 1.8427 0.0000 -0.2743
+ 2.0 3 h c c=2 c 1.8427 0.0000 -0.2743
+ 1.0 1 c c c= c 0.5332 0.0000 -3.2287
+ 2.0 3 c c c=1 c 0.5332 0.0000 -3.2287
+ 2.0 3 c c c=2 c 0.5332 0.0000 -3.2287
+ 1.0 1 c= c c= c= -1.6681 0.0000 -0.9939
+ 2.0 3 c= c c=1 c= -1.6681 0.0000 -0.9939
+ 2.0 3 c= c c=2 c= -1.6681 0.0000 -0.9939
+ 2.0 3 c= c c= c=1 -1.6681 0.0000 -0.9939
+ 2.0 3 c= c c=1 c=1 -1.6681 0.0000 -0.9939
+ 2.0 3 c= c c=2 c=1 -1.6681 0.0000 -0.9939
+ 2.0 3 c= c c= c=2 -1.6681 0.0000 -0.9939
+ 2.0 3 c= c c=1 c=2 -1.6681 0.0000 -0.9939
+ 2.0 3 c= c c=2 c=2 -1.6681 0.0000 -0.9939
+ 2.0 3 c=1 c c= c= -1.6681 0.0000 -0.9939
+ 2.0 3 c=1 c c=1 c= -1.6681 0.0000 -0.9939
+ 2.0 3 c=1 c c=2 c= -1.6681 0.0000 -0.9939
+ 2.0 3 c=1 c c= c=1 -1.6681 0.0000 -0.9939
+ 2.0 3 c=1 c c=1 c=1 -1.6681 0.0000 -0.9939
+ 2.0 3 c=1 c c=2 c=1 -1.6681 0.0000 -0.9939
+ 2.0 3 c=1 c c= c=2 -1.6681 0.0000 -0.9939
+ 2.0 3 c=1 c c=1 c=2 -1.6681 0.0000 -0.9939
+ 2.0 3 c=1 c c=2 c=2 -1.6681 0.0000 -0.9939
+ 2.0 3 c=2 c c= c= -1.6681 0.0000 -0.9939
+ 2.0 3 c=2 c c=1 c= -1.6681 0.0000 -0.9939
+ 2.0 3 c=2 c c=2 c= -1.6681 0.0000 -0.9939
+ 2.0 3 c=2 c c= c=1 -1.6681 0.0000 -0.9939
+ 2.0 3 c=2 c c=1 c=1 -1.6681 0.0000 -0.9939
+ 2.0 3 c=2 c c=2 c=1 -1.6681 0.0000 -0.9939
+ 2.0 3 c=2 c c= c=2 -1.6681 0.0000 -0.9939
+ 2.0 3 c=2 c c=1 c=2 -1.6681 0.0000 -0.9939
+ 2.0 3 c=2 c c=2 c=2 -1.6681 0.0000 -0.9939
+ 1.0 1 c= c c= h 2.9454 0.0000 -0.2084
+ 2.0 3 c= c c=1 h 2.9454 0.0000 -0.2084
+ 2.0 3 c= c c=2 h 2.9454 0.0000 -0.2084
+ 2.0 3 c=1 c c= h 2.9454 0.0000 -0.2084
+ 2.0 3 c=1 c c=1 h 2.9454 0.0000 -0.2084
+ 2.0 3 c=1 c c=2 h 2.9454 0.0000 -0.2084
+ 2.0 3 c=2 c c= h 2.9454 0.0000 -0.2084
+ 2.0 3 c=2 c c=1 h 2.9454 0.0000 -0.2084
+ 2.0 3 c=2 c c=2 h 2.9454 0.0000 -0.2084
+ 1.0 1 c= c c c= -0.3546 0.0000 0.0483
+ 2.0 3 c=1 c c c= -0.3546 0.0000 0.0483
+ 2.0 3 c=2 c c c= -0.3546 0.0000 0.0483
+ 2.0 3 c=1 c c c=1 -0.3546 0.0000 0.0483
+ 2.0 3 c=2 c c c=2 -0.3546 0.0000 0.0483
+ 2.0 3 c=1 c c c=2 -0.3546 0.0000 0.0483
+ 1.0 1 h c o c -6.8007 -4.6546 -1.4101
+ 1.0 1 c c o c -5.9288 -2.7007 -0.3175
+ 1.0 1 h c c o -16.7975 -1.2296 -0.2750
+ 1.0 1 c c c o -21.8842 -7.6764 -0.6868
+ 1.0 1 o c c o -17.2585 -3.6157 -0.8364
+ 1.0 1 h c o h* 0.0000 0.9241 -0.5889
+ 1.0 1 c c o h* 1.2472 0.0000 0.7485
+ 1.0 1 h c na c -6.4529 -6.8122 -1.1632
+ 1.0 1 h c na h* -3.4611 1.6996 -0.6007
+ 1.0 1 c c na h* -2.2208 0.5479 -0.3527
+ 1.0 1 c c na c -8.0036 -7.7321 -3.0640
+ 1.0 1 h c c na -10.4959 -0.7647 -0.0545
+ 1.0 1 c c c na -15.4174 -7.3055 -1.0749
+ 1.0 1 na c c na -3.3497 1.0143 -3.0062
+ 1.0 1 c c s h 0.5020 -1.0204 -0.9177
+ 1.0 1 h c s h -0.3729 0.5373 -0.7035
+ 1.0 1 s c c s 1.7001 -3.3479 -0.8067
+ 1.0 1 h c c s -5.7537 -2.0104 0.2813
+ 1.0 1 c c s c -2.5172 -2.0107 -2.8547
+ 1.0 1 h c s c -0.6955 -2.9427 -1.2372
+ 1.0 1 c s s c -0.2540 -4.3405 -0.5273
+ 1.0 1 c c s s -0.3126 -0.7601 -0.9170
+ 1.0 1 h c s s -0.2656 -2.0225 -0.6959
+ 1.0 1 s c s c 1.0855 -2.3500 0.7030
+ 1.0 1 c c c s -4.2593 -5.6468 -3.3835
+ 1.0 1 c s s h -0.3517 -5.2531 -0.0775
+ 1.0 1 h s s h -0.7575 -5.2517 -0.6380
+ 1.0 1 s c s h 0.4519 -0.5196 0.2959
+ 1.0 4 c c c c* -11.4432 -4.0489 -1.6027
+ 1.0 4 c* c c h -10.0179 -2.8145 0.1665
+ 1.0 4 c c c* h -21.9419 -7.2083 -2.8155
+ 1.0 4 c c c* o' -24.0688 11.6419 -2.4192
+ 1.0 4 h c c* h -15.5201 -4.9674 0.8183
+ 1.0 4 h c c* o' -17.9965 9.9861 1.0989
+ 1.0 4 c c c* c -23.1690 -7.7081 -2.7448
+ 1.0 4 h c c* c -16.9266 -6.1382 0.9282
+ 1.0 4 c* c c c* -1.9504 -1.9061 1.9001
+ 1.0 4 h c c* o -13.7686 -2.5959 1.1934
+ 1.0 4 o' c* o h* 5.2742 3.3850 -7.9263
+ 1.0 4 c c* o h* 2.1452 0.5482 -2.3693
+ 1.0 4 o c c* o' -5.3484 7.4360 -6.7454
+ 1.0 4 o' c* o c 0.4552 7.3091 0.2842
+ 1.0 4 h c o c* 7.7147 4.2557 -1.0118
+ 1.0 4 c c* o c 1.3445 3.5515 -4.9202
+ 1.0 4 c c c* o -17.3280 -5.7900 -3.2114
+ 1.0 4 c c o c* 9.9416 2.6421 2.2333
+ 1.0 4 h c* o c 0.1687 3.5065 -2.0722
+ 1.0 4 c* c o c* 0.2579 3.9647 2.0421
+ 1.0 4 o c c* h -0.5846 2.8755 3.8323
+ 1.0 4 h c* o h* -1.8538 2.5766 -0.6194
+ 1.0 4 c* c c o -13.0271 -8.7622 -5.6084
+ 1.0 1 o' c' n c -8.8301 14.3079 -1.7716
+ 1.0 1 o' c' n h* -0.9084 6.1447 -0.4852
+ 1.0 1 c c' n c -9.2512 3.4093 -2.8365
+ 1.0 1 c c' n h* -0.5298 4.7356 -1.0637
+ 1.0 1 h c c' o' 0.2359 0.9139 0.9594
+ 1.0 1 h c c' n 0.2296 -0.4149 0.8003
+ 1.0 1 c' c n c' -4.7439 -5.1049 -5.4294
+ 1.0 1 c c n c' -3.9501 -0.4002 -0.6798
+ 1.0 1 h c n c' -0.6899 -2.2646 1.1579
+ 1.0 1 c' c n h* -1.4517 4.0426 -0.5276
+ 1.0 1 c c n h* -3.5406 -3.3866 0.0352
+ 1.0 1 h c n h* -1.1752 2.8058 0.8083
+ 1.0 1 n c c' o' -4.5035 4.8982 0.4274
+ 1.0 1 n c c' n -4.3657 -2.2332 -5.4979
+ 1.0 1 c c c' o' 0.3388 -0.1096 0.1219
+ 1.0 1 c c c' n -2.0061 -1.5432 1.9095
+ 1.0 1 h c c n -4.1028 -0.5941 -0.0470
+ 1.0 1 c' c c h -3.5039 1.2458 -0.7610
+ 1.0 1 h c' n c -11.7253 3.2050 -3.0119
+ 1.0 1 h c' n h* -0.9656 5.2038 -2.3087
+ 1.0 1 c c c n -4.2324 -3.3023 -1.3244
+ 1.0 1 c c c c' -1.5945 0.2267 -0.6911
+ 1.0 1 c c n c -4.7070 -1.0555 -2.9844
+ 1.0 1 h c n c -2.2930 0.3254 0.9658
+ 1.0 1 c' c c c' 1.4759 0.5852 -0.1863
+ 1.0 1 c' c c n -1.2216 -4.0706 -3.3973
+ 1.0 1 c' c n c 1.2610 -3.5631 -3.0902
+ 1.0 1 n c' n h* -1.2443 -4.4363 2.2089
+ 1.0 1 o' c' n c' -0.1118 -1.1990 0.6784
+ 1.0 1 h c' n c' -0.4825 -0.0591 -0.8262
+ 1.0 1 cp cp cp cp 27.5989 -2.3120 0.0000
+ 1.0 1 cp cp cp h 0.0000 -1.1521 0.0000
+ 1.0 1 h cp cp h 0.0000 4.8228 0.0000
+ 1.0 1 cp cp np cp 0.0000 6.8193 0.0000
+ 1.0 1 h cp np cp 0.0000 5.5902 0.0000
+ 1.0 1 cp cp cp np 0.0000 11.1878 0.0000
+ 1.0 1 h cp cp np 0.0000 8.6527 0.0000
+ 1.0 1 np cp np cp 0.0000 3.5336 0.0000
+ 1.0 1 np cp cp np 0.0000 1.2134 0.0000
+ 1.0 1 cp np np cp 0.0000 13.3902 0.0000
+ 1.0 1 cp cp np np 0.0000 6.2778 0.0000
+ 1.0 1 h cp np np 0.0000 6.1422 0.0000
+ 1.0 1 cp cp nh h* 0.0000 4.9809 0.0000
+ 1.1 1 cp cp nh hi 0.0000 4.9809 0.0000
+ 1.0 1 h cp nh h* 0.0000 4.1961 0.0000
+ 1.1 1 h cp nh hi 0.0000 4.1961 0.0000
+ 1.0 1 cp cp nh cp -16.9541 6.1871 0.0000
+ 1.0 1 h cp nh cp 0.0000 1.1896 0.0000
+ 1.0 1 cp cp cp nh 26.8015 0.9613 0.0000
+ 1.0 1 h cp cp nh 0.0000 6.3385 0.0000
+ 1.0 1 np cp nh cp 0.0000 21.5895 0.0000
+ 1.0 1 np cp nh h* 0.0000 0.1319 0.0000
+ 1.1 1 np cp nh hi 0.0000 0.1319 0.0000
+ 1.0 1 nh cp np cp 0.0000 27.4546 0.0000
+ 1.0 1 nh cp cp np 0.0000 12.7701 0.0000
+ 1.0 1 cp nh np cp 0.0000 3.9201 0.0000
+ 1.0 1 h* nh np cp 0.0000 10.0181 0.0000
+ 1.1 1 hi nh np cp 0.0000 10.0181 0.0000
+ 1.0 1 cp cp nh np 0.0000 4.1700 0.0000
+ 1.0 1 h cp nh np 0.0000 -1.5328 0.0000
+ 1.0 1 cp cp np nh 0.0000 40.5311 0.0000
+ 1.0 1 h cp np nh 0.0000 16.9791 0.0000
+ 1.0 1 cp cp op cp 0.0000 42.2966 0.0000
+ 1.0 1 h cp op cp 0.0000 3.1100 0.0000
+ 1.0 1 cp cp cp op 0.0000 26.4272 0.0000
+ 1.0 1 h cp cp op 0.0000 5.2006 0.0000
+ 1.0 1 np cp op cp 0.0000 32.4564 0.0000
+ 1.0 1 op cp np cp 0.0000 32.9586 0.0000
+ 1.0 1 np cp cp op 0.0000 -0.4207 0.0000
+ 1.0 1 op cp np np 0.0000 16.6039 0.0000
+ 1.0 1 cp cp sp cp 0.0000 46.3218 0.0000
+ 1.0 1 h cp sp cp 0.0000 1.5349 0.0000
+ 1.0 1 cp cp cp sp 0.0000 13.4627 0.0000
+ 1.0 1 h cp cp sp 0.0000 8.4859 0.0000
+ 1.0 1 np cp sp cp 0.0000 54.8848 0.0000
+ 1.0 1 sp cp np cp 0.0000 -0.0974 0.0000
+ 1.0 1 np cp cp sp 0.0000 -10.5789 0.0000
+ 1.0 1 sp cp np np 0.0000 -13.8045 0.0000
+ 1.0 1 nh cp nh cp 0.0000 29.4327 0.0000
+ 1.0 1 nh cp nh h* 0.0000 2.6467 0.0000
+ 1.1 1 nh cp nh hi 0.0000 2.6467 0.0000
+ 1.0 1 nh cp cp nh 0.0000 36.5009 0.0000
+ 1.0 1 cp cp cp o 0.0000 4.8255 0.0000
+ 1.0 1 h cp cp o 0.0000 5.5432 0.0000
+ 1.0 1 cp cp o h* 1.1580 3.2697 3.5132
+ 1.0 1 c cp cp cp 0.0000 9.1792 0.0000
+ 1.0 1 c cp cp h 0.0000 3.9421 0.0000
+ 1.0 1 h c cp cp -5.5679 1.4083 0.3010
+ 1.0 1 cp cp cp nn 0.0000 -0.5693 0.0000
+ 1.0 1 h cp cp nn 0.0000 2.2883 0.0000
+ 1.0 1 cp cp nn h* 0.0000 3.2085 0.0000
+ 1.0 1 nn cp np cp 0.0000 1.2696 0.0000
+ 1.0 1 np cp nn h* 0.0000 3.3310 0.0000
+ 1.0 1 c c n+ h+ -0.5922 -1.2262 0.4264
+ 1.0 1 h c n+ h+ -0.6980 0.8910 -0.1895
+ 1.0 1 c c c n+ -8.4467 -6.1110 -2.7141
+ 1.0 1 h c c n+ -9.8826 -3.7138 -0.1022
+ 1.0 1 h c n+ c 0.7630 2.6303 -2.5974
+ 1.0 1 c c n+ c 6.2579 -5.0818 6.0511
+ 1.0 1 h c c- o- -5.7009 0.7758 -0.4090
+ 1.0 1 c c c c- -15.9260 -5.9318 -2.5361
+ 1.0 1 c- c c h -13.6420 -0.8843 0.2118
+ 1.0 1 c c c- o- 0.6798 0.9388 -1.8478
+ 1.0 1 nr c+ nr h* 1.5296 4.9027 1.1466
+ 1.0 1 h c c nr -3.5152 -2.2975 -1.2765
+ 1.0 1 c c nr c+ -1.4041 0.0273 3.4079
+ 1.0 1 c c nr h* -2.3795 2.5294 -0.7295
+ 1.0 1 h c nr c+ 5.1711 0.3481 -1.7808
+ 1.0 1 h c nr h* -0.4138 -2.8616 0.0071
+ 1.0 1 nr c+ nr c -0.1366 8.6368 -3.9926
+ 1.1 1 n= cr nr h* 1.5296 4.9027 1.1466
+ 2.0 3 n=1 cr nr h* 1.5296 4.9027 1.1466
+ 2.0 3 n=2 cr nr h* 1.5296 4.9027 1.1466
+ 1.1 1 h c c n= -3.5152 -2.2975 -1.2765
+ 2.0 3 h c c n=1 -3.5152 -2.2975 -1.2765
+ 2.0 3 h c c n=2 -3.5152 -2.2975 -1.2765
+ 1.1 1 c c n= cr -1.4041 0.0273 3.4079
+ 2.0 3 c c n=1 cr -1.4041 0.0273 3.4079
+ 2.0 3 c c n=2 cr -1.4041 0.0273 3.4079
+ 1.1 1 c c c n= 0.0000 0.0000 0.0000
+ 2.0 3 c c c n=1 0.0000 0.0000 0.0000
+ 2.0 3 c c c n=2 0.0000 0.0000 0.0000
+ 1.1 1 h c n= c= 5.1711 0.3481 -1.7808
+ 2.0 3 h c n=1 c= 5.1711 0.3481 -1.7808
+ 2.0 3 h c n=2 c= 5.1711 0.3481 -1.7808
+ 1.1 1 nr cr n= c -0.1366 8.6368 -3.9926
+ 2.0 3 nr cr n=1 c -0.1366 8.6368 -3.9926
+ 2.0 3 nr cr n=2 c -0.1366 8.6368 -3.9926
+ 1.3 1 c' c n+ h+ 0.00000 0.0000 0.0000
+ 1.3 4 c* c n+ h+ 0.00000 0.0000 0.0000
+ 1.3 1 n+ c c' o' 0.00000 0.0000 0.0000
+ 1.3 1 n c c o 0.00000 0.0000 0.0000
+ 1.3 1 cp c c n 0.00000 0.0000 0.0000
+ 1.3 1 cp c c h 0.00000 0.0000 0.0000
+ 1.3 1 c' c c cp 0.00000 0.0000 0.0000
+ 1.3 1 c c cp cp 0.00000 0.0000 0.0000
+ 1.3 1 c c cp np 0.00000 0.0000 0.0000
+ 1.3 1 h c cp np 0.00000 0.0000 0.0000
+ 1.3 1 c cp cp nh 0.00000 0.0000 0.0000
+ 1.3 1 c cp np cp 0.00000 0.0000 0.0000
+ 1.3 1 c- c n c' 0.00000 0.0000 0.0000
+ 1.3 1 c- c n h* 0.00000 0.0000 0.0000
+ 1.3 1 n c c- o- 0.00000 0.0000 0.0000
+ 1.3 1 c- c c cp 0.00000 0.0000 0.0000
+ 1.3 1 n+ c c' n 0.00000 0.0000 0.0000
+ 1.3 1 c' c c c- 0.00000 0.0000 0.0000
+ 1.3 1 s c c n 0.00000 0.0000 0.0000
+ 1.3 1 c' c c s 0.00000 0.0000 0.0000
+ 1.3 1 c- c c n 0.00000 0.0000 0.0000
+ 1.3 1 c' c c o 0.00000 0.0000 0.0000
+ 1.3 4 c* c c n 0.00000 0.0000 0.0000
+ 1.3 4 c* c c c' 0.00000 0.0000 0.0000
+
+
+#angle-torsion_3 cff91
+
+> E = (Theta - Theta0) *
+> { F(1) * cos(phi) + F(2) * cos(2 * phi) + F(3) * cos(3 * phi) }
+
+! LEFT RIGHT
+! ------------------------------- -------------------------------
+!Ver Ref I J K L F(1) F(2) F(3) F(1) F(2) F(3)
+!---- --- ---- ---- ---- ---- ------- ------- ------- ------- ------- -------
+ 1.0 1 h c c h -0.8085 0.5569 -0.2466
+ 1.0 1 c c c h -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988
+ 1.0 1 c c c c 0.3886 -0.3139 0.1389
+ 1.0 1 c c= c= c -4.3970 2.5810 0.0000
+ 2.0 3 c c= c=1 c -4.3970 2.5810 0.0000 -4.3970 2.5810 0.0000
+ 2.0 3 c c= c=2 c -4.3970 2.5810 0.0000 -4.3970 2.5810 0.0000
+ 1.0 1 c c= c= h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 2.0 3 c c= c=1 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 2.0 3 c c= c=2 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 2.0 3 c c=1 c= h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 2.0 3 c c=1 c=1 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 2.0 3 c c=1 c=2 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 2.0 3 c c=2 c= h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 2.0 3 c c=2 c=1 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 2.0 3 c c=2 c=2 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 1.0 1 h c= c= h -1.8911 3.2540 0.0000
+ 2.0 3 h c= c=1 h -1.8911 3.2540 0.0000 -1.8911 3.2540 0.0000
+ 2.0 3 h c= c=2 h -1.8911 3.2540 0.0000 -1.8911 3.2540 0.0000
+ 1.0 1 c c c= c= -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 2.0 3 c c c=1 c= -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 2.0 3 c c c=2 c= -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 2.0 3 c c c= c=1 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 2.0 3 c c c=1 c=1 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 2.0 3 c c c=2 c=1 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 2.0 3 c c c= c=2 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 2.0 3 c c c=1 c=2 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 2.0 3 c c c=2 c=2 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 1.0 1 h c c= c= 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 2.0 3 h c c=1 c= 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 2.0 3 h c c=2 c= 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 2.0 3 h c c= c=1 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 2.0 3 h c c=1 c=1 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 2.0 3 h c c=2 c=1 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 2.0 3 h c c= c=2 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 2.0 3 h c c=1 c=2 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 2.0 3 h c c=2 c=2 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 1.0 1 c c c= h 0.5311 0.0000 0.0000 -0.9172 0.0000 0.0000
+ 2.0 3 c c c=1 h 0.5311 0.0000 0.0000 -0.9172 0.0000 0.0000
+ 2.0 3 c c c=2 h 0.5311 0.0000 0.0000 -0.9172 0.0000 0.0000
+ 1.0 1 h c c= h 1.9061 0.0000 0.0000 -0.0677 0.0000 0.0000
+ 2.0 3 h c c=1 h 1.9061 0.0000 0.0000 -0.0677 0.0000 0.0000
+ 2.0 3 h c c=2 h 1.9061 0.0000 0.0000 -0.0677 0.0000 0.0000
+ 1.0 1 c c c c= 2.4027 0.0000 0.0000 1.1559 0.0000 -1.2900
+ 2.0 3 c c c c=1 2.4027 0.0000 0.0000 1.1559 0.0000 -1.2900
+ 2.0 3 c c c c=2 2.4027 0.0000 0.0000 1.1559 0.0000 -1.2900
+ 1.0 1 c= c c h 0.6083 0.0000 0.0000 -0.8714 0.0000 0.0000
+ 2.0 3 c=1 c c h 0.6083 0.0000 0.0000 -0.8714 0.0000 0.0000
+ 2.0 3 c=2 c c h 0.6083 0.0000 0.0000 -0.8714 0.0000 0.0000
+ 1.0 1 h c c= c 0.9753 0.0000 0.0000 0.7525 0.0000 0.0000
+ 2.0 3 h c c=1 c 0.9753 0.0000 0.0000 0.7525 0.0000 0.0000
+ 2.0 3 h c c=2 c 0.9753 0.0000 0.0000 0.7525 0.0000 0.0000
+ 1.0 1 c c c= c 2.0729 0.0000 0.0000 -1.9373 0.0000 0.0000
+ 2.0 3 c c c=1 c 2.0729 0.0000 0.0000 -1.9373 0.0000 0.0000
+ 2.0 3 c c c=2 c 2.0729 0.0000 0.0000 -1.9373 0.0000 0.0000
+ 1.0 1 c= c c= c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c= c c=1 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c= c c=2 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c= c c= c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c= c c=1 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c= c c=2 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c= c c= c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c= c c=1 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c= c c=2 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=1 c c= c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=1 c c=1 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=1 c c=2 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=1 c c= c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=1 c c=1 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=1 c c=2 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=1 c c= c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=1 c c=1 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=1 c c=2 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=2 c c= c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=2 c c=1 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=2 c c=2 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=2 c c= c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=2 c c=1 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=2 c c=2 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=2 c c= c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=2 c c=1 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 2.0 3 c=2 c c=2 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c= c c= h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 2.0 3 c= c c=1 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 2.0 3 c= c c=2 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 2.0 3 c=1 c c= h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 2.0 3 c=1 c c=1 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 2.0 3 c=1 c c=2 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 2.0 3 c=2 c c= h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 2.0 3 c=2 c c=1 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 2.0 3 c=2 c c=2 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 1.0 1 c= c c c= -0.4053 0.0000 0.4300
+ 2.0 3 c=1 c c c= -0.4053 0.0000 0.4300 -0.4053 0.0000 0.4300
+ 2.0 3 c=2 c c c= -0.4053 0.0000 0.4300 -0.4053 0.0000 0.4300
+ 2.0 3 c=1 c c c=1 -0.4053 0.0000 0.4300
+ 2.0 3 c=2 c c c=2 -0.4053 0.0000 0.4300
+ 2.0 3 c=1 c c c=2 -0.4053 0.0000 0.4300 -0.4053 0.0000 0.4300
+ 1.0 1 h c o c -1.8234 1.6393 0.5144 -0.7777 0.4340 -0.6653
+ 1.0 1 c c o c -2.7466 1.4877 -0.8955 0.5676 0.9450 0.0703
+ 1.0 1 h c c o 2.3668 2.4920 -1.0122 -0.1892 0.4918 0.7273
+ 1.0 1 c c c o 0.5623 -0.3041 -0.4015 0.9672 -0.7566 -1.2331
+ 1.0 1 o c c o 0.5511 0.9737 -0.6673
+ 1.0 1 h c o h* -3.4060 1.6396 0.0737 0.0000 -0.2810 -0.5944
+ 1.0 1 c c o h* -3.5903 2.5225 0.4888 0.8726 -0.3577 0.3888
+ 1.0 1 h c na c -2.6321 0.9353 -0.8398 -1.3582 0.1465 -0.5729
+ 1.0 1 h c na h* -3.9582 2.0063 0.3213 -0.4294 -0.4442 -0.6141
+ 1.0 1 c c na h* -3.3430 4.4558 -0.0346 0.2873 -0.8072 -0.0960
+ 1.0 1 c c na c -2.7883 1.5193 1.4796 1.2031 1.3645 -0.7071
+ 1.0 1 h c c na 0.5111 1.6328 -1.0155 -1.1075 0.2820 0.8318
+ 1.0 1 c c c na -1.9225 -1.3450 0.2210 2.0125 0.9440 -2.7612
+ 1.0 1 na c c na 1.3673 0.4528 -2.7700
+ 1.0 1 c c s h -0.6045 3.8941 0.8885 1.0193 -0.6016 0.2097
+ 1.0 1 h c s h -2.2533 2.6948 -0.1723 1.4340 -0.1915 -0.2611
+ 1.0 1 s c c s -5.0565 -0.6355 0.6015
+ 1.0 1 h c c s -2.0382 0.2102 -0.9023 0.3322 -0.0519 -0.3553
+ 1.0 1 c c s c 5.1289 2.0927 -2.4004 -4.5489 0.0886 0.6237
+ 1.0 1 h c s c 0.5962 3.3479 0.2265 -1.0888 -0.2000 -0.0909
+ 1.0 1 c s s c -5.9573 3.1622 -1.3506
+ 1.0 1 c c s s -0.8964 3.3999 -0.2082 -5.9560 6.3297 -4.2261
+ 1.0 1 h c s s -3.5098 2.3035 -0.5033 -0.2723 0.8581 -0.4014
+ 1.0 1 s c s c -0.8600 0.8600 0.8600 -6.9151 -2.3017 1.1372
+ 1.0 1 c c c s -2.0927 -0.1498 -1.7848 1.1179 0.3638 0.9423
+ 1.0 1 c s s h -2.6305 6.8180 -0.0319 -1.4706 3.8645 0.0227
+ 1.0 1 h s s h -2.7059 3.6628 -0.2319
+ 1.0 1 s c s h -0.8600 1.2900 1.2900 2.3096 -1.2955 -0.1262
+ 1.0 4 c c c c* -0.7456 -0.9583 0.8454 -2.5845 -1.2743 1.7141
+ 1.0 4 c* c c h -1.6930 -0.6252 -0.2148 0.0492 0.7162 -0.2277
+ 1.0 4 c c c* h 10.6088 -1.1324 -0.0338 1.1057 0.2554 -0.3863
+ 1.0 4 c c c* o' 11.5375 -0.4216 -0.0784 0.6781 1.4473 -0.1388
+ 1.0 4 h c c* h 12.6652 -1.0089 -0.0067 -0.5230 0.4954 -0.0989
+ 1.0 4 h c c* o' 14.4728 0.3339 0.0800 -2.0667 0.9622 -0.2932
+ 1.0 4 c c c* c 11.8711 0.4675 -0.9932 3.3047 1.6116 0.6520
+ 1.0 4 h c c* c 13.8143 0.1133 0.1601 1.8624 0.6555 0.1809
+ 1.0 4 c* c c c* -1.2721 1.3999 2.1186
+ 1.0 4 h c c* o 13.2959 0.8005 -0.0071 -0.0241 1.4427 0.1212
+ 1.0 4 o' c* o h* -4.2614 -2.1352 -1.7658 -0.4555 0.2043 -1.0606
+ 1.0 4 c c* o h* -1.5224 -1.2931 -0.1378 2.2044 0.2483 -1.9797
+ 1.0 4 o c c* o' 1.1337 -1.1729 1.3341 0.9678 -0.1998 -0.3288
+ 1.0 4 o' c* o c 5.9732 2.7261 1.9052 2.3573 1.0059 -0.0327
+ 1.0 4 h c o c* -0.4990 2.8061 -0.0401 -0.3142 -0.8699 0.0971
+ 1.0 4 c c* o c 0.9701 -2.5169 1.7195 0.8831 -0.8203 0.2405
+ 1.0 4 c c c* o 10.6972 2.7324 -1.1886 5.2514 1.9751 0.1040
+ 1.0 4 c c o c* -0.4620 1.4492 -0.6765 -0.0890 -0.9159 0.7229
+ 1.0 4 h c* o c 3.4954 -3.1904 0.4900 -0.2532 0.4695 0.8187
+ 1.0 4 c* c o c* -0.3879 0.1303 0.0515 0.6985 -0.4001 -0.4257
+ 1.0 4 o c c* h -0.1859 0.8282 -0.3060 0.4929 -0.3498 -0.2581
+ 1.0 4 h c* o h* -0.8264 -1.1986 -1.0607 0.0916 0.8164 -1.3148
+ 1.0 4 c* c c o -1.5208 -0.2517 -1.4935 0.1954 2.8739 0.2244
+ 1.0 1 o' c' n c 4.4466 4.0317 1.7129 7.4427 2.1505 -0.2206
+ 1.0 1 o' c' n h* -2.6238 0.3606 0.5474 2.3848 0.7030 0.1399
+ 1.0 1 c c' n c 4.2133 2.9302 3.2903 5.9160 1.7856 0.4052
+ 1.0 1 c c' n h* -2.2134 1.2909 0.9726 1.9306 0.2105 0.0557
+ 1.0 1 h c c' o' 9.1299 -0.4847 0.3582 -1.4946 0.7308 -0.2083
+ 1.0 1 h c c' n 7.0950 0.0075 0.6910 2.0013 0.5068 0.8406
+ 1.0 1 c' c n c' 4.7811 1.8407 1.2990 -2.4085 0.8761 -1.1066
+ 1.0 1 c c n c' -0.7555 0.0564 1.2177 -1.5230 1.1296 0.7167
+ 1.0 1 h c n c' -1.5157 2.0781 0.5364 0.0372 -0.3418 -0.0775
+ 1.0 1 c' c n h* -3.6735 2.0320 0.3780 0.0619 -0.3167 -1.4636
+ 1.0 1 c c n h* -2.8967 2.7084 -0.0375 -0.5807 0.2041 -0.1384
+ 1.0 1 h c n h* -3.7022 1.3876 0.2393 -0.3868 0.2041 0.0445
+ 1.0 1 n c c' o' -1.8188 -2.8142 2.3527 0.9836 3.7792 5.5095
+ 1.0 1 n c c' n -0.8197 -0.8239 2.4591 -0.0446 0.6377 -6.3639
+ 1.0 1 c c c' o' 0.0885 -1.3703 -0.5452 0.6750 0.5965 0.6725
+ 1.0 1 c c c' n 2.1802 -0.0335 -1.3816 2.1221 0.5032 -0.0767
+ 1.0 1 h c c n -1.2469 1.6933 -1.2081 -1.9820 0.2325 -0.3928
+ 1.0 1 c' c c h -0.7466 -0.9448 -0.6321 0.0162 1.4211 -1.4092
+ 1.0 1 h c' n c 0.1359 3.1321 0.2142 6.1827 -0.3528 -0.2149
+ 1.0 1 h c' n h* -2.1825 2.0443 -0.1457 2.2206 0.5706 -0.0180
+ 1.0 1 c c c n -0.5501 -1.6982 0.2485 0.2039 0.1602 -0.7946
+ 1.0 1 c c c c' -0.2607 0.3203 -0.2283 0.0515 -0.0674 -0.0474
+ 1.0 1 c c n c -0.2874 1.7740 0.2737 1.2928 2.0632 -0.1540
+ 1.0 1 h c n c -1.7530 1.2998 0.5059 0.3543 -0.3981 -0.1951
+ 1.0 1 c' c c c' 3.4514 1.2507 -0.0448
+ 1.0 1 c' c c n -1.3514 -2.3795 -0.2640 -1.5812 -0.8296 -1.6076
+ 1.0 1 c' c n c 3.4989 -3.5786 -2.2092 -0.4487 2.5120 2.5692
+ 1.0 1 n c' n h* -2.6748 1.5760 0.0730 0.4592 -0.4613 0.3508
+ 1.0 1 o' c' n c' -1.5747 2.3997 -0.2851 -0.3038 -0.0548 -0.3188
+ 1.0 1 h c' n c' -2.5789 2.4858 1.0054 1.6253 -1.2644 0.5926
+ 1.0 1 cp cp cp cp 1.9767 1.0239 0.0000
+ 1.0 1 cp cp cp h 0.0000 2.5014 0.0000 0.0000 2.7147 0.0000
+ 1.0 1 h cp cp h 0.0000 2.4501 0.0000
+ 1.0 1 cp cp np cp 0.0000 2.9321 0.0000 0.0000 4.1497 0.0000
+ 1.0 1 h cp np cp 0.0000 2.8755 0.0000 0.0000 -0.7484 0.0000
+ 1.0 1 cp cp cp np 0.0000 8.5235 0.0000 0.0000 6.9465 0.0000
+ 1.0 1 h cp cp np 0.0000 2.6369 0.0000 0.0000 0.9126 0.0000
+ 1.0 1 np cp np cp 0.0000 4.3346 0.0000 0.0000 5.6896 0.0000
+ 1.0 1 np cp cp np 0.0000 16.0967 0.0000
+ 1.0 1 cp np np cp 0.0000 8.9855 0.0000
+ 1.0 1 cp cp np np 0.0000 11.9786 0.0000 0.0000 11.7559 0.0000
+ 1.0 1 h cp np np 0.0000 3.8763 0.0000 0.0000 0.6485 0.0000
+ 1.0 1 cp cp nh h* 0.0000 2.3151 0.0000 0.0000 1.0530 0.0000
+ 1.0 1 h cp nh h* 0.0000 -0.4946 0.0000 0.0000 1.6589 0.0000
+ 1.0 1 cp cp nh cp 25.2371 4.8848 0.0000 1.0949 6.1583 0.0000
+ 1.0 1 h cp nh cp 0.0000 1.2580 0.0000 0.0000 0.8392 0.0000
+ 1.0 1 cp cp cp nh -9.9278 -5.3449 0.0000 -7.0296 -6.3611 0.0000
+ 1.0 1 h cp cp nh 0.0000 3.8936 0.0000 0.0000 2.6686 0.0000
+ 1.0 1 np cp nh cp 0.0000 23.4288 0.0000 0.0000 38.8606 0.0000
+ 1.0 1 np cp nh h* 0.0000 -0.2659 0.0000 0.0000 0.1553 0.0000
+ 1.0 1 nh cp np cp 0.0000 6.1188 0.0000 0.0000 2.0666 0.0000
+ 1.0 1 nh cp cp np 0.0000 12.8485 0.0000 0.0000 7.4493 0.0000
+ 1.0 1 cp nh np cp 0.0000 32.3549 0.0000 0.0000 27.2556 0.0000
+ 1.0 1 h* nh np cp 0.0000 4.3989 0.0000 0.0000 0.5462 0.0000
+ 1.0 1 cp cp nh np 0.0000 28.9149 0.0000 0.0000 7.0823 0.0000
+ 1.0 1 h cp nh np 0.0000 2.2090 0.0000 0.0000 -1.1106 0.0000
+ 1.0 1 cp cp np nh 0.0000 0.5148 0.0000 0.0000 12.1184 0.0000
+ 1.0 1 h cp np nh 0.0000 6.9505 0.0000 0.0000 -1.8868 0.0000
+ 1.0 1 cp cp op cp 0.0000 35.3158 0.0000 0.0000 38.1416 0.0000
+ 1.0 1 h cp op cp 0.0000 -2.4175 0.0000 0.0000 4.2906 0.0000
+ 1.0 1 cp cp cp op 0.0000 15.0720 0.0000 0.0000 22.8370 0.0000
+ 1.0 1 h cp cp op 0.0000 3.1723 0.0000 0.0000 -1.6882 0.0000
+ 1.0 1 np cp op cp 0.0000 45.0848 0.0000 0.0000 43.8973 0.0000
+ 1.0 1 op cp np cp 0.0000 11.8323 0.0000 0.0000 8.4649 0.0000
+ 1.0 1 np cp cp op 0.0000 0.9449 0.0000 0.0000 12.6989 0.0000
+ 1.0 1 op cp np np 0.0000 7.3738 0.0000 0.0000 5.0348 0.0000
+ 1.0 1 cp cp sp cp 0.0000 49.2187 0.0000 0.0000 45.7531 0.0000
+ 1.0 1 h cp sp cp 0.0000 1.9309 0.0000 0.0000 6.2778 0.0000
+ 1.0 1 cp cp cp sp 0.0000 2.2824 0.0000 0.0000 4.7164 0.0000
+ 1.0 1 h cp cp sp 0.0000 3.2082 0.0000 0.0000 2.4807 0.0000
+ 1.0 1 np cp sp cp 0.0000 69.7354 0.0000 0.0000 59.0299 0.0000
+ 1.0 1 sp cp np cp 0.0000 22.0468 0.0000 0.0000 6.6427 0.0000
+ 1.0 1 np cp cp sp 0.0000 2.3897 0.0000 0.0000 4.2033 0.0000
+ 1.0 1 sp cp np np 0.0000 23.0599 0.0000 0.0000 3.3755 0.0000
+ 1.0 1 nh cp nh cp 0.0000 28.8815 0.0000 0.0000 28.8729 0.0000
+ 1.0 1 nh cp nh h* 0.0000 1.2639 0.0000 0.0000 3.5635 0.0000
+ 1.0 1 nh cp cp nh 0.0000 23.0437 0.0000
+ 1.0 1 cp cp cp o 0.0000 10.0155 0.0000 0.0000 1.7404 0.0000
+ 1.0 1 h cp cp o 0.0000 1.8729 0.0000 0.0000 2.5706 0.0000
+ 1.0 1 cp cp o h* -5.1360 -1.0122 0.0000 4.6852 0.0230 -0.5980
+ 1.0 1 c cp cp cp 0.0000 -4.4683 0.0000 0.0000 3.8987 0.0000
+ 1.0 1 c cp cp h 0.0000 -0.1242 0.0000 0.0000 3.4601 0.0000
+ 1.0 1 h c cp cp 4.6266 0.1632 0.0461 0.2251 0.6548 0.1237
+ 1.0 1 cp cp cp nn 0.0000 9.0901 0.0000 0.0000 -6.0882 0.0000
+ 1.0 1 h cp cp nn 0.0000 2.9813 0.0000 0.0000 0.2787 0.0000
+ 1.0 1 cp cp nn h* 0.0000 1.2616 0.0000 0.0000 0.7744 0.0000
+ 1.0 1 nn cp np cp 0.0000 5.6896 0.0000 0.0000 1.4949 0.0000
+ 1.0 1 np cp nn h* 0.0000 -1.7963 0.0000 0.0000 1.5019 0.0000
+ 1.0 1 c c n+ h+ -3.5237 -0.3880 -0.4954 -2.1025 -0.9363 0.4381
+ 1.0 1 h c n+ h+ -2.4112 -0.4658 -0.0738 -1.7705 -0.8407 -0.2881
+ 1.0 1 c c c n+ -0.9595 0.7467 -1.9504 -0.1098 -0.2380 0.1934
+ 1.0 1 h c c n+ -3.4109 0.6476 -0.9584 -2.8694 1.6172 -1.4627
+ 1.0 1 h c n+ c -0.0839 1.5477 -0.2284 1.6840 0.4087 0.4293
+ 1.0 1 c c n+ c -1.2877 4.8056 1.1481 -3.7682 2.7464 -1.6272
+ 1.0 1 h c c- o- 12.0720 0.2388 -0.0426 -4.2825 1.1254 -0.1481
+ 1.0 1 c c c c- 16.6010 0.1267 3.1777 -0.7732 2.4204 -1.5184
+ 1.0 1 c- c c h 1.6575 -0.4577 0.3610 3.9318 2.2235 0.3670
+ 1.0 1 c c c- o- 13.2220 1.3271 -0.3941 2.9333 2.2593 -0.5573
+ 1.0 1 nr c+ nr h* -1.9886 2.4637 -0.3427 1.9914 1.1009 0.0573
+ 1.0 1 h c c nr -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 1.0 1 c c nr c+ -3.6726 1.1461 -1.0045 -1.3328 3.4229 0.0281
+ 1.0 1 c c nr h* -2.5229 2.8479 2.0585 -3.6916 4.0605 -1.5440
+ 1.0 1 h c nr c+ -2.6999 -0.3540 -0.8903 -1.2402 -0.1664 -1.6410
+ 1.0 1 h c nr h* -1.8945 1.2211 -0.7455 0.1095 0.0654 0.1086
+ 1.0 1 nr c+ nr c 4.4676 3.8223 -1.9571 1.8816 1.1008 0.5286
+ 1.1 1 n= cr nr h* -1.9886 2.4637 -0.3427 1.9914 1.1009 0.0573
+ 2.0 3 n=1 cr nr h* -1.9886 2.4637 -0.3427 1.9914 1.1009 0.0573
+ 2.0 3 n=2 cr nr h* -1.9886 2.4637 -0.3427 1.9914 1.1009 0.0573
+ 1.1 1 h c c n= -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 2.0 3 h c c n=1 -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 2.0 3 h c c n=2 -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 1.1 1 c c n= cr -3.6726 1.1461 -1.0045 -1.3328 3.4229 0.0281
+ 2.0 3 c c n=1 cr -3.6726 1.1461 -1.0045 -1.3328 3.4229 0.0281
+ 2.0 3 c c n=2 cr -3.6726 1.1461 -1.0045 -1.3328 3.4229 0.0281
+ 1.1 1 c c c n= -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 2.0 3 c c c n=1 -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 2.0 3 c c c n=2 -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 1.1 1 h c n= cr -2.6999 -0.3540 -0.8903 -1.2402 -0.1664 -1.6410
+ 2.0 3 h c n=1 cr -2.6999 -0.3540 -0.8903 -1.2402 -0.1664 -1.6410
+ 2.0 3 h c n=2 cr -2.6999 -0.3540 -0.8903 -1.2402 -0.1664 -1.6410
+ 1.1 1 nr cr n= c 4.4676 3.8223 -1.9571 1.8816 1.1008 0.5286
+ 2.0 3 nr cr n=1 c 4.4676 3.8223 -1.9571 1.8816 1.1008 0.5286
+ 2.0 3 nr cr n=2 c 4.4676 3.8223 -1.9571 1.8816 1.1008 0.5286
+ 1.3 1 c' c n+ h+ 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 4 c* c n+ h+ 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n+ c c' o' 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n c c o 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 cp c c n 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 cp c c h 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c' c c cp 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c c cp cp 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c c cp np 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 h c cp np 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c cp cp nh 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c cp np cp 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c n c' 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c n h* 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n c c- o- 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c c cp 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n+ c c' n 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c' c c c- 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 s c c n 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c' c c s 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c c n 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c' c c o 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 4 c* c c n 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 4 c* c c c' 0.00000 0.0000 0.0000 0.0000 0.0000 0.0000
+
+
+#torsion-torsion_1 cff91
+
+> E = F * cos(phi) * cos(phi') }
+
+!Ver Ref I J K L M F
+!---- --- ---- ---- ---- ---- ---- --------
+
+#wilson_out_of_plane cff91
+
+> E = K * (Chi - Chi0)^2
+
+!Ver Ref I J K L K Chi0
+!---- --- ---- ---- ---- ---- ------- ----
+ 1.0 1 c c= c= h 2.0765 0.0
+ 1.0 1 c= c= h h 2.8561 0.0
+ 1.0 1 c c= c c= 2.0568 0.0
+ 1.0 1 c na c h* 0.0000 0.0
+ 1.0 1 c na h* h* 0.0000 0.0
+ 1.0 1 c na c c 0.0000 0.0
+ 1.0 4 c c* h o' 38.4069 0.0
+ 1.0 4 c c* c o' 38.7949 0.0
+ 1.0 4 h c* h o' 37.8733 0.0
+ 1.0 4 c c* o o' 46.9264 0.0
+ 1.0 4 h c* o o' 45.3800 0.0
+ 1.0 1 c c' n o' 24.3329 0.0
+ 1.0 1 c n c' h* 0.0000 0.0
+ 1.0 1 h c' n o' 23.1691 0.0
+ 1.0 1 c' n h* h* 0.0000 0.0
+ 1.0 1 c n c c' 0.0000 0.0
+ 1.0 1 n c' n o' 27.0615 0.0
+ 1.0 1 c' n c' h* 0.0000 0.0
+ 1.0 1 cp cp cp h 7.6012 0.0
+ 1.0 1 cp cp h np 10.4920 0.0
+ 1.0 1 h cp np np 14.3802 0.0
+ 1.0 1 cp nh cp h* 5.9154 0.0
+ 1.0 1 cp cp h nh 7.9682 0.0
+ 1.0 1 h cp nh np 8.8464 0.0
+ 1.0 1 cp nh h* np 4.9959 0.0
+ 1.0 1 cp cp h op 8.1654 0.0
+ 1.0 1 h cp np op 10.8102 0.0
+ 1.0 1 cp cp h sp 5.5684 0.0
+ 1.0 1 h cp np sp 7.3414 0.0
+ 1.0 1 h cp nh nh 10.2877 0.0
+ 1.0 1 cp cp cp nh 8.3206 0.0
+ 1.0 1 cp cp cp cp 7.1794 0.0
+ 1.0 1 cp cp cp o 13.0421 0.0
+ 1.0 1 c cp cp cp 6.9644 0.0
+ 1.0 1 cp cp cp nn 10.7855 0.0
+ 1.0 1 cp nn h* h* 0.0000 0.0
+ 1.0 1 nn cp np np 15.0921 0.0
+ 1.0 1 c c- o- o- 44.1500 0.0
+ 1.0 1 h c- o- o- 45.7520 0.0
+ 1.0 1 c+ nr h* h* 1.0035 0.0
+ 1.0 1 nr c+ nr nr 54.4060 0.0
+ 1.0 1 c nr c+ h* 0.3176 0.0
+ 1.1 1 cr nr h* h* 1.0035 0.0
+ 1.1 1 n= cr nr nr 54.4060 0.0
+ 1.1 1 c n= cr h* 0.3176 0.0
+ 1.3 1 cp cp c np 10.4920 0.0
+
+
+#angle-angle cff91
+
+> E = K * (Theta - Theta0) * (Theta' - Theta0')
+
+! J' I' K'
+!Ver Ref I J K K
+!---- --- ---- ---- ---- ---- -------
+ 1.0 1 h c h h -0.3157
+ 1.0 1 h c c h -0.4825
+ 1.0 1 c c h h 0.2738
+ 1.0 1 c c c h -1.3199
+ 1.0 1 c c h c 0.1184
+ 1.0 1 c c c c -0.1729
+ 1.0 1 c c= c= h 0.0000
+ 1.0 1 c= c= c h 0.0000
+ 1.0 1 c c= h c= 0.0000
+ 1.0 1 c c c= h 0.9747
+ 1.0 1 c= c c h -1.4639
+ 1.0 1 h c c= h -8.2464
+ 1.0 1 c c h c= 4.1941
+ 1.0 1 c= c h h -0.1141
+ 1.0 1 h c= c= h 0.0000
+ 1.0 1 c= c= h h 0.0000
+ 1.0 1 c c= c= c 0.0000
+ 1.0 1 c c= c c= 0.0000
+ 1.0 1 c= c c= h -6.5349
+ 1.0 1 c= c h c= 0.4530
+ 1.0 1 h c o h 2.1283
+ 1.0 1 h c h o 2.4259
+ 1.0 1 c c o h 0.1689
+ 1.0 1 h c c o 2.5926
+ 1.0 1 c c h o 3.9177
+ 1.0 1 c c c o -0.8330
+ 1.0 1 c c o c -3.5744
+ 1.0 1 c na c h* -10.1289
+ 1.0 1 c na h* c -1.6152
+ 1.0 1 c na c c 0.4261
+ 1.0 1 h* na c h* -9.9147
+ 1.0 1 c na h* h* -6.1569
+ 1.0 1 c c c na 2.1001
+ 1.0 1 c c na c 5.9412
+ 1.0 1 c c na h -2.5301
+ 1.0 1 h c c na 0.5381
+ 1.0 1 h c na h -3.5496
+ 1.0 1 c c h na 2.4286
+ 1.0 1 h c h na 2.4321
+ 1.0 1 c c s h -0.0668
+ 1.0 1 h c c s -3.0031
+ 1.0 1 h c s h -0.0640
+ 1.0 1 c c h s 2.7985
+ 1.0 1 h c h s 0.5086
+ 1.0 1 h c s s -1.3396
+ 1.0 1 s c h s 0.4976
+ 1.0 1 c c s c -0.8766
+ 1.0 1 c c c s -0.2564
+ 1.0 4 c c c c* -0.4167
+ 1.0 4 c* c c h -4.5020
+ 1.0 4 c c c* c -2.2400
+ 1.0 4 c c c* h 0.8378
+ 1.0 4 c c h c* 1.0992
+ 1.0 4 h c* c o' 0.0000
+ 1.0 4 c c* h o' 0.0000
+ 1.0 4 c c* o' h 0.0000
+ 1.0 4 h c c* h -0.3879
+ 1.0 4 c* c h h -1.7653
+ 1.0 4 c c* c o' 0.0000
+ 1.0 4 c c* o' c 0.0000
+ 1.0 4 h c* o' h 0.0000
+ 1.0 4 h c* h o' 0.0000
+ 1.0 4 c c* o' o 0.0000
+ 1.0 4 o c* c o' 0.0000
+ 1.0 4 c c* o o' 0.0000
+ 1.0 4 h c c* o 4.7955
+ 1.0 4 c* c o h -2.9540
+ 1.0 4 c* c h o -0.4690
+ 1.0 4 h c* o' o 0.0000
+ 1.0 4 h c* o o' 0.0000
+ 1.0 4 o c* h o' 0.0000
+ 1.0 1 c c' o' n 0.0000
+ 1.0 1 c c' n o' 0.0000
+ 1.0 1 n c' c o' 0.0000
+ 1.0 1 c n c' h* -1.4745
+ 1.0 1 c' n c h* -3.4515
+ 1.0 1 c n h* c' -4.1671
+ 1.0 1 c c n c' 3.9738
+ 1.0 1 c' c n h 3.0270
+ 1.0 1 c c c' n 5.6826
+ 1.0 1 h c c' n 0.0575
+ 1.0 1 c c n h -0.6931
+ 1.0 1 c' c c n -0.8489
+ 1.0 1 h c c n -3.3697
+ 1.0 1 c' c h n -1.6511
+ 1.0 1 c c h n -0.8896
+ 1.0 1 c c c' h 2.0403
+ 1.0 1 c' c c h -1.8202
+ 1.0 1 c c h c' 1.0827
+ 1.0 1 h c c' h -3.4976
+ 1.0 1 c' c h h -3.3867
+ 1.0 1 h c n h 2.5621
+ 1.0 1 h c h n 4.2659
+ 1.0 1 h c' o' n 0.0000
+ 1.0 1 h c' n o' 0.0000
+ 1.0 1 n c' h o' 0.0000
+ 1.0 1 h* n c' h* -5.8763
+ 1.0 1 c' n h* h* -2.9106
+ 1.0 1 c n c' c 3.7692
+ 1.0 1 c n c c' -5.1828
+ 1.0 1 c c n c -0.5000
+ 1.0 1 c c c n 0.1524
+ 1.0 1 n c' n o' 0.0000
+ 1.0 1 n c' o' n 0.0000
+ 1.0 1 c' n c' h* 0.1551
+ 1.0 1 c' n h* c' -1.1643
+ 1.0 1 cp cp cp h 0.0000
+ 1.0 1 cp cp h cp 0.0000
+ 1.0 1 cp cp np h 0.0000
+ 1.0 1 h cp cp np 0.0000
+ 1.0 1 cp cp h np 0.0000
+ 1.0 1 h cp np np 0.0000
+ 1.0 1 np cp h np 0.0000
+ 1.0 1 cp nh h* cp 0.0000
+ 1.0 1 cp nh cp h* 0.0000
+ 1.0 1 cp cp nh h 0.0000
+ 1.0 1 h cp cp nh 0.0000
+ 1.0 1 cp cp h nh 0.0000
+ 1.0 1 h cp nh np 0.0000
+ 1.0 1 h cp np nh 0.0000
+ 1.0 1 nh cp h np 0.0000
+ 1.0 1 cp nh np h* 0.0000
+ 1.0 1 h* nh cp np 0.0000
+ 1.0 1 cp nh h* np 0.0000
+ 1.0 1 cp cp op h 0.0000
+ 1.0 1 h cp cp op 0.0000
+ 1.0 1 cp cp h op 0.0000
+ 1.0 1 h cp op np 0.0000
+ 1.0 1 h cp np op 0.0000
+ 1.0 1 np cp h op 0.0000
+ 1.0 1 cp cp sp h 0.0000
+ 1.0 1 h cp cp sp 0.0000
+ 1.0 1 cp cp h sp 0.0000
+ 1.0 1 h cp sp np 0.0000
+ 1.0 1 h cp np sp 0.0000
+ 1.0 1 np cp h sp 0.0000
+ 1.0 1 h cp nh nh 0.0000
+ 1.0 1 nh cp h nh 0.0000
+ 1.0 1 cp cp cp nh 0.0000
+ 1.0 1 cp cp nh cp 0.0000
+ 1.0 1 cp cp cp cp 0.0000
+ 1.0 1 cp cp cp o 0.0000
+ 1.0 1 cp cp o cp 0.0000
+ 1.0 1 c cp cp cp 0.0000
+ 1.0 1 cp cp c cp 0.0000
+ 1.0 1 h c cp h 3.0118
+ 1.0 1 cp c h h 2.3794
+ 1.0 1 cp cp cp nn 0.0000
+ 1.0 1 cp cp nn cp 0.0000
+ 1.0 1 h* nn cp h* -10.3104
+ 1.0 1 cp nn h* h* -7.6640
+ 1.0 1 nn cp np np 0.0000
+ 1.0 1 np cp nn np 0.0000
+ 1.0 1 h+ n+ h+ h+ -1.9852
+ 1.0 1 h+ n+ c h+ -3.6257
+ 1.0 1 c n+ h+ h+ -2.0310
+ 1.0 1 c c n+ h 7.0292
+ 1.0 1 h c c n+ 6.0274
+ 1.0 1 h c n+ h 7.3365
+ 1.0 1 c c h n+ 4.2440
+ 1.0 1 h c h n+ 3.5475
+ 1.0 1 c c n+ c -4.2781
+ 1.0 1 c c c n+ -6.4251
+ 1.0 1 c n+ c h+ -1.9692
+ 1.0 1 c n+ h+ c -3.8350
+ 1.0 1 c n+ c c -1.5155
+ 1.0 1 c- c h h 2.7254
+ 1.0 1 h c c- h -1.8086
+ 1.0 1 o- c- c o- 0.0000
+ 1.0 1 c c- o- o- 0.0000
+ 1.0 1 c- c c h -1.0033
+ 1.0 1 c c c- h -0.0414
+ 1.0 1 c c h c- 2.4594
+ 1.0 1 c c c c- -7.2391
+ 1.0 1 c c c- c -13.2630
+ 1.0 1 h c- o- o- 0.0000
+ 1.0 1 o- c- h o- 0.0000
+ 1.0 1 h* nr c+ h* 0.0000
+ 1.0 1 c+ nr h* h* 0.0000
+ 1.0 1 nr c+ nr nr 0.0000
+ 1.1 1 h* nr cr h* 0.0000
+ 1.1 1 cr nr h* h* 0.0000
+ 1.1 1 n= cr nr nr 0.0000
+ 1.1 1 nr cr n= nr 0.0000
+ 1.0 1 h c c nr 1.0909
+ 1.0 1 c c nr h -1.3055
+ 1.0 1 c c h nr 2.7533
+ 1.0 1 h c nr h -2.9474
+ 1.0 1 h c h nr 1.7680
+ 1.0 1 c+ nr c h* 0.0000
+ 1.0 1 c nr c+ h* 0.0000
+ 1.0 1 c nr h* c+ 0.0000
+ 1.1 1 h c c n= 1.0909
+ 1.1 1 c c n= h -1.3055
+ 1.1 1 c c h n= 2.7533
+ 1.1 1 h c n= h -2.9474
+ 1.1 1 h c h n= 1.7680
+ 1.3 1 c' c n+ h 3.0270
+ 1.3 1 c' c h n+ -1.6511
+ 1.3 1 h c c' n+ 0.0575
+ 1.3 1 cp c c h -1.8202
+ 1.3 1 c c h cp 1.0827
+ 1.3 1 c c cp h 2.0403
+ 1.3 1 np cp c cp 0.0000
+ 1.3 1 c cp cp np 0.0000
+ 1.3 1 c cp np cp 0.0000
+ 1.3 1 c- c n h 3.0270
+ 1.3 1 c- c h n -1.6511
+ 1.3 1 c c n c- 3.9738
+ 1.3 1 h c c- n 0.0575
+ 1.3 1 c c c- n 5.6826
+ 1.3 1 c- c c n -0.8489
+ 1.3 1 c c n+ c' 3.9738
+ 1.3 1 c' c c n+ -0.8489
+ 1.3 1 c c c' n+ 5.6826
+
+#bond-bond_1_3 cff91
+
+> E = K(b,b') * (R - R0) * (R' - R0')
+
+!Ver Ref I J I' J' K
+!---- --- ---- ---- ---- ---- -------
+ 1.0 1 cp cp cp cp -73.6169
+ 1.0 1 cp cp cp h -6.2741
+ 1.0 1 h cp cp h -1.7077
+ 1.0 1 cp cp np cp -114.6133
+ 1.0 1 h cp np cp 0.7474
+ 1.0 1 cp cp cp np -114.6133
+ 1.0 1 h cp cp np 0.7474
+ 1.0 1 np cp np cp -133.9418
+ 1.0 1 np cp cp np -133.9418
+ 1.0 1 cp np np cp -133.9418
+ 1.0 1 cp cp np np -149.4151
+ 1.0 1 h cp np np -3.4334
+ 1.0 1 cp cp nh h* -23.4360
+ 1.1 1 cp cp nh hi -23.4360
+ 1.0 1 h cp nh h* -1.9118
+ 1.1 1 h cp nh hi -1.9118
+ 1.0 1 cp cp nh cp -40.3954
+ 1.0 1 h cp nh cp -6.2449
+ 1.0 1 cp cp cp nh -40.3954
+ 1.0 1 h cp cp nh -6.2449
+ 1.0 1 np cp nh cp -54.0505
+ 1.0 1 np cp nh h* -33.0647
+ 1.1 1 np cp nh hi -33.0647
+ 1.0 1 nh cp np cp -54.0505
+ 1.0 1 nh cp cp np -54.0505
+ 1.0 1 cp nh np cp -54.0505
+ 1.0 1 h* nh np cp -33.0647
+ 1.1 1 hi nh np cp -33.0647
+ 1.0 1 cp cp nh np -66.7435
+ 1.0 1 h cp nh np -1.3024
+ 1.0 1 cp cp np nh -66.7435
+ 1.0 1 h cp np nh -1.3024
+ 1.0 1 cp cp op cp -73.8410
+ 1.0 1 h cp op cp -1.7133
+ 1.0 1 cp cp cp op -73.8410
+ 1.0 1 h cp cp op -1.7133
+ 1.0 1 np cp op cp -114.6594
+ 1.0 1 op cp np cp -114.6594
+ 1.0 1 np cp cp op -114.6594
+ 1.0 1 op cp np np -101.5242
+ 1.0 1 cp cp sp cp -54.3603
+ 1.0 1 h cp sp cp 0.5491
+ 1.0 1 cp cp cp sp -54.3603
+ 1.0 1 h cp cp sp 0.5491
+ 1.0 1 np cp sp cp -87.1462
+ 1.0 1 sp cp np cp -87.1462
+ 1.0 1 np cp cp sp -87.1462
+ 1.0 1 sp cp np np -89.5542
+ 1.0 1 nh cp nh cp -71.6221
+ 1.0 1 nh cp nh h* -16.8062
+ 1.1 1 nh cp nh hi -16.8062
+ 1.0 1 nh cp cp nh -71.6221
+ 1.0 1 cp cp cp o -2.2436
+ 1.0 1 h cp cp o 2.0517
+ 1.0 1 cp cp o h* 1.1590
+ 1.0 1 c cp cp cp 2.5085
+ 1.0 1 c cp cp h 0.8743
+ 1.0 1 h c cp cp -3.4826
+ 1.0 1 cp cp cp nn -9.7999
+ 1.0 1 h cp cp nn -1.0746
+ 1.0 1 cp cp nn h* 4.2366
+ 1.0 1 nn cp np cp 6.4383
+ 1.0 1 np cp nn h* -5.1852
+
+
+
+
+#quadratic_bond cff91_auto
+
+> E = K2 * (R - R0)^2
+
+!Ver Ref I J R0 K2
+!---- --- ---- ---- ------- --------
+ 2.0 2 c3m_ c3m_ 1.5100 322.7158
+ 2.0 2 c3m_ c4m_ 1.5260 322.7158
+ 2.0 2 c3m_ c_ 1.5260 322.7158
+ 2.0 2 c3m_ c'_ 1.5200 283.0924
+ 2.0 2 c3m_ cp_ 1.5100 283.0924
+ 2.0 2 c3m_ c=_ 1.5000 322.8000
+ 2.0 3 c3m_ c=_1 1.5000 322.8000
+ 2.0 3 c3m_ c=_2 1.5000 322.8000
+ 2.0 3 c3m_ c=_3 1.5000 322.8000
+ 2.0 2 c3m_ ct_ 1.4000 340.0000
+ 2.0 6 c3m_ ct2_ 1.4000 340.0000
+ 2.0 2 c3m_ na_ 1.4700 356.5988
+ 2.0 2 c3m_ n3m_ 1.4850 356.5988
+ 2.0 2 c3m_ n4m_ 1.4700 356.5988
+ 2.0 2 c3m_ n_ 1.4600 377.5752
+ 2.0 2 c3m_ np_ 1.4750 336.8000
+ 2.0 2 c3m_ n=_ 1.4750 336.8000
+ 2.0 3 c3m_ n=_1 1.4750 336.8000
+ 2.0 3 c3m_ n=_2 1.4750 336.8000
+ 2.0 3 c3m_ n=_3 1.4750 336.8000
+ 2.0 2 c3m_ n+_ 1.4620 270.8836
+ 2.0 2 c3m_ o_ 1.4250 273.2000
+ 2.0 2 c3m_ o'_ 1.3800 318.9484
+ 2.0 2 c3m_ o3e_ 1.4340 273.2000
+ 2.0 2 c3m_ o4e_ 1.4250 273.2000
+ 2.0 2 c3m_ op_ 1.3800 346.5484
+ 2.0 2 c3m_ s_ 1.8000 228.0000
+ 2.0 2 c3m_ sp_ 1.7700 242.5324
+ 2.0 2 c3m_ s'_ 1.7700 257.3324
+ 2.0 2 c3m_ s3e_ 1.8000 228.0000
+ 2.0 2 c3m_ s4e_ 1.8000 228.0000
+ 2.0 2 c3m_ h_ 1.1050 340.6175
+ 2.0 2 c3m_ p_ 1.7500 249.1344
+ 2.0 2 c3m_ f_ 1.3630 496.0000
+ 2.0 2 c3m_ cl_ 1.7610 314.0000
+ 2.0 2 c3m_ br_ 1.9200 223.6000
+ 2.0 2 c3m_ si_ 1.8090 238.0000
+ 2.0 2 c3m_ i_ 2.1200 200.0000
+ 2.0 2 c4m_ c4m_ 1.5520 322.7158
+ 2.0 2 c4m_ c_ 1.5260 322.7158
+ 2.0 2 c4m_ c'_ 1.5200 283.0924
+ 2.0 2 c4m_ cp_ 1.5100 283.0924
+ 2.0 2 c4m_ c=_ 1.5000 322.8000
+ 2.0 3 c4m_ c=_1 1.5000 322.8000
+ 2.0 3 c4m_ c=_2 1.5000 322.8000
+ 2.0 3 c4m_ c=_3 1.5000 322.8000
+ 2.0 2 c4m_ ct_ 1.4000 340.0000
+ 2.0 6 c4m_ ct2_ 1.4000 340.0000
+ 2.0 2 c4m_ na_ 1.4700 356.5988
+ 2.0 2 c4m_ n3m_ 1.4700 356.5988
+ 2.0 2 c4m_ n4m_ 1.4670 356.5988
+ 2.0 2 c4m_ n_ 1.4600 377.5752
+ 2.0 2 c4m_ np_ 1.4750 336.8000
+ 2.0 2 c4m_ n=_ 1.4750 336.8000
+ 2.0 3 c4m_ n=_1 1.4750 336.8000
+ 2.0 3 c4m_ n=_2 1.4750 336.8000
+ 2.0 3 c4m_ n=_3 1.4750 336.8000
+ 2.0 2 c4m_ n+_ 1.4620 270.8836
+ 2.0 2 c4m_ o_ 1.4250 273.2000
+ 2.0 2 c4m_ o'_ 1.3800 318.9484
+ 2.0 2 c4m_ o3e_ 1.4250 273.2000
+ 2.0 2 c4m_ o4e_ 1.4462 273.2000
+ 2.0 2 c4m_ op_ 1.3800 346.5484
+ 2.0 2 c4m_ s_ 1.8000 228.0000
+ 2.0 2 c4m_ sp_ 1.7700 242.5324
+ 2.0 2 c4m_ s'_ 1.7700 257.3324
+ 2.0 2 c4m_ s3e_ 1.8000 228.0000
+ 2.0 2 c4m_ s4e_ 1.8470 228.0000
+ 2.0 2 c4m_ h_ 1.1050 340.6175
+ 2.0 2 c4m_ p_ 1.7500 249.1344
+ 2.0 2 c4m_ f_ 1.3630 496.0000
+ 2.0 2 c4m_ cl_ 1.7610 314.0000
+ 2.0 2 c4m_ br_ 1.9200 223.6000
+ 2.0 2 c4m_ si_ 1.8090 238.0000
+ 2.0 2 c4m_ i_ 2.1200 200.0000
+ 2.0 2 c_ n3m_ 1.4700 356.5988
+ 2.0 2 c_ n4m_ 1.4700 356.5988
+ 2.0 2 c'_ n3m_ 1.4460 272.0000
+ 2.0 2 c'_ n4m_ 1.4000 332.0000
+ 2.0 2 c'_ s3e_ 1.7700 175.0035
+ 2.0 2 c'_ s4e_ 1.7700 175.0035
+ 2.0 2 cp_ n3m_ 1.4200 280.0000
+ 2.0 2 cp_ n4m_ 1.4200 280.0000
+ 2.0 2 cp_ s3e 1.7300 228.0000
+ 2.0 2 cp_ s4e 1.7300 228.0000
+ 2.0 2 c=_ n3m_ 1.4370 273.7168
+ 2.0 2 c=_ n4m_ 1.4370 273.7168
+ 2.0 3 c=_1 n3m_ 1.4370 273.7168
+ 2.0 3 c=_1 n4m_ 1.4370 273.7168
+ 2.0 3 c=_2 n3m_ 1.4370 273.7168
+ 2.0 3 c=_2 n4m_ 1.4370 273.7168
+ 2.0 3 c=_3 n3m_ 1.4370 273.7168
+ 2.0 3 c=_3 n4m_ 1.4370 273.7168
+ 2.0 2 c=_ s3e_ 1.7750 254.9440
+ 2.0 2 c=_ s4e_ 1.7750 254.9440
+ 2.0 3 c=_1 s3e_ 1.7750 254.9440
+ 2.0 3 c=_1 s4e_ 1.7750 254.9440
+ 2.0 3 c=_2 s3e_ 1.7750 254.9440
+ 2.0 3 c=_2 s4e_ 1.7750 254.9440
+ 2.0 3 c=_3 s3e_ 1.7750 254.9440
+ 2.0 3 c=_3 s4e_ 1.7750 254.9440
+ 2.0 2 ct_ n3m_ 1.3820 286.8096
+ 2.0 6 ct2_ n3m_ 1.3820 286.8096
+ 2.0 2 ct_ n4m_ 1.3820 286.8096
+ 2.0 6 ct2_ n4m_ 1.3820 286.8096
+ 2.0 2 ct_ s3e_ 1.7200 271.4328
+ 2.0 6 ct2_ s3e_ 1.7200 271.4328
+ 2.0 2 ct_ s4e_ 1.7200 271.4328
+ 2.0 6 ct2_ s4e_ 1.7200 271.4328
+ 2.0 2 na_ n3m_ 1.3940 220.8000
+ 2.0 2 na_ n4m_ 1.3940 220.8000
+ 2.0 2 na_ s3e_ 1.7320 206.9404
+ 2.0 2 na_ s4e_ 1.7320 206.9404
+ 2.0 2 n3m_ n3m_ 1.3940 220.8000
+ 2.0 2 n3m_ n4m_ 1.3940 220.8000
+ 2.0 2 n3m_ n_ 1.3670 221.6968
+ 2.0 2 n3m_ np_ 1.3670 274.4968
+ 2.0 2 n3m_ n=_ 1.3670 274.4968
+ 2.0 3 n3m_ n=_1 1.3670 274.4968
+ 2.0 3 n3m_ n=_2 1.3670 274.4968
+ 2.0 3 n3m_ n=_3 1.3670 274.4968
+ 2.0 2 n3m_ n+_ 1.3940 211.1592
+ 2.0 2 n3m_ o_ 1.3250 301.3500
+ 2.0 2 n3m_ op_ 1.3120 274.1760
+ 2.0 2 n3m_ o'_ 1.3120 246.5760
+ 2.0 2 n3m_ s_ 1.7320 206.9404
+ 2.0 2 n3m_ sp_ 1.7020 190.9752
+ 2.0 2 n3m_ s'_ 1.7020 205.7752
+ 2.0 2 n3m_ s3e_ 1.7320 206.9404
+ 2.0 2 n3m_ s4e_ 1.7320 206.9404
+ 2.0 2 n3m_ p_ 1.6820 210.5400
+ 2.0 2 n3m_ h_ 1.0260 457.4592
+ 2.0 2 n3m_ f_ 1.3520 200.9852
+ 2.0 2 n3m_ cl_ 1.6890 226.4260
+ 2.0 2 n3m_ br_ 1.8370 203.8340
+ 2.0 2 n3m_ i_ 2.0230 184.0104
+ 2.0 2 n3m_ si_ 1.7920 204.4236
+ 2.0 2 n4m_ n4m_ 1.3940 220.8000
+ 2.0 2 n4m_ n_ 1.3670 221.6968
+ 2.0 2 n4m_ np_ 1.3670 274.4968
+ 2.0 2 n4m_ n=_ 1.3670 274.4968
+ 2.0 3 n4m_ n=_1 1.3670 274.4968
+ 2.0 3 n4m_ n=_2 1.3670 274.4968
+ 2.0 3 n4m_ n=_3 1.3670 274.4968
+ 2.0 2 n4m_ n+_ 1.3940 211.1592
+ 2.0 2 n4m_ o_ 1.3250 301.3500
+ 2.0 2 n4m_ op_ 1.3120 274.1760
+ 2.0 2 n4m_ o'_ 1.3120 246.5760
+ 2.0 2 n4m_ s_ 1.7320 206.9404
+ 2.0 2 n4m_ sp_ 1.7020 190.9752
+ 2.0 2 n4m_ s'_ 1.7020 205.7752
+ 2.0 2 n4m_ s3e_ 1.7320 206.9404
+ 2.0 2 n4m_ s4e_ 1.7320 206.9404
+ 2.0 2 n4m_ p_ 1.6820 210.5400
+ 2.0 2 n4m_ h_ 1.0260 457.4592
+ 2.0 2 n4m_ f_ 1.3520 200.9852
+ 2.0 2 n4m_ cl_ 1.6890 226.4260
+ 2.0 2 n4m_ br_ 1.8370 203.8340
+ 2.0 2 n4m_ i_ 2.0230 184.0104
+ 2.0 2 n4m_ si_ 1.7920 204.4236
+ 2.0 2 n_ s3e_ 1.7050 210.6208
+ 2.0 2 n_ s4e_ 1.7050 210.6208
+ 2.0 2 np_ s3e_ 1.7050 263.4208
+ 2.0 2 np_ s4e_ 1.7050 263.4208
+ 2.0 2 n=_ s3e_ 1.7050 263.4208
+ 2.0 2 n=_ s4e_ 1.7050 263.4208
+ 2.0 3 n=_1 s3e_ 1.7050 263.4208
+ 2.0 3 n=_1 s4e_ 1.7050 263.4208
+ 2.0 3 n=_2 s3e_ 1.7050 263.4208
+ 2.0 3 n=_2 s4e_ 1.7050 263.4208
+ 2.0 3 n=_3 s3e_ 1.7050 263.4208
+ 2.0 3 n=_3 s4e_ 1.7050 263.4208
+ 2.0 2 o_ s3e_ 1.6930 288.0848
+ 2.0 2 o_ s4e_ 1.6930 288.0848
+ 2.0 2 op_ s3e_ 1.6800 266.7748
+ 2.0 2 op_ s4e_ 1.6800 266.7748
+ 2.0 2 o'_ s3e_ 1.6500 239.5744
+ 2.0 2 o'_ s4e_ 1.6500 239.5744
+ 2.0 2 s_ s3e_ 2.1000 160.0000
+ 2.0 2 s_ s4e_ 2.1000 160.0000
+ 2.0 2 sp_ s3e_ 2.0400 175.1260
+ 2.0 2 sp_ s4e_ 2.0400 175.1260
+ 2.0 2 s'_ s3e_ 2.0400 189.9260
+ 2.0 2 s'_ s4e_ 2.0400 189.9260
+ 2.0 2 s3e_ s3e_ 2.0000 180.0000
+ 2.0 2 s3e_ s4e_ 2.0000 180.0000
+ 2.0 2 s3e_ p_ 2.0200 186.8792
+ 2.0 2 s3e_ h_ 1.3300 274.1288
+ 2.0 2 s3e_ f_ 1.6900 204.8184
+ 2.0 2 s3e_ cl_ 2.0270 212.0812
+ 2.0 2 s3e_ br_ 2.1750 187.8836
+ 2.0 2 s3e_ i_ 2.3610 167.7624
+ 2.0 2 s3e_ si_ 2.1300 177.2928
+ 2.0 2 s4e_ s4e_ 2.0000 180.0000
+ 2.0 2 s4e_ p_ 2.0200 186.8792
+ 2.0 2 s4e_ h_ 1.3300 274.1288
+ 2.0 2 s4e_ f_ 1.6900 204.8184
+ 2.0 2 s4e_ cl_ 2.0270 212.0812
+ 2.0 2 s4e_ br_ 2.1750 187.8836
+ 2.0 2 s4e_ i_ 2.3610 167.7624
+ 2.0 2 s4e_ si_ 2.1300 177.2928
+ 2.0 2 c_ c_ 1.5260 322.7158
+ 2.0 2 c_ c'_ 1.5200 283.0924
+ 2.0 2 c_ cp_ 1.5100 283.0924
+ 2.0 2 c_ c=_ 1.5000 322.8000
+ 2.0 3 c_ c=_1 1.5000 322.8000
+ 2.0 3 c_ c=_2 1.5000 322.8000
+ 2.0 3 c_ c=_3 1.5000 322.8000
+ 2.0 2 c_ ct_ 1.4000 340.0000
+ 2.0 6 c_ ct2_ 1.4000 340.0000
+ 2.0 2 c_ na_ 1.4700 356.5988
+ 2.0 2 c_ n_ 1.4600 377.5752
+ 2.0 2 c_ np_ 1.4750 336.8000
+ 2.0 2 c_ n=_ 1.4750 336.8000
+ 2.0 3 c_ n=_1 1.4750 336.8000
+ 2.0 3 c_ n=_2 1.4750 336.8000
+ 2.0 3 c_ n=_3 1.4750 336.8000
+ 2.0 2 c_ n+_ 1.4620 270.8836
+ 2.0 2 c_ o_ 1.4250 273.2000
+ 2.0 2 c_ op_ 1.3800 346.5484
+ 2.0 2 c_ o'_ 1.3800 318.9484
+ 2.0 2 c_ s_ 1.8000 228.0000
+ 2.0 2 c_ sp_ 1.7700 242.5324
+ 2.0 2 c_ s'_ 1.7700 257.3324
+ 2.0 2 c_ h_ 1.1050 340.6175
+ 2.0 2 c_ p_ 1.7500 249.1344
+ 2.0 2 c_ f_ 1.3630 496.0000
+ 2.0 2 c_ cl_ 1.7610 314.0000
+ 2.0 2 c_ br_ 1.9200 223.6000
+ 2.0 2 c_ si_ 1.8090 238.0000
+ 2.0 2 c_ i_ 2.1200 200.0000
+ 2.0 2 c'_ c'_ 1.5000 266.4000
+ 2.0 2 c'_ cp_ 1.5000 284.3316
+ 2.0 2 c'_ c=_ 1.5000 322.8000
+ 2.0 3 c'_ c=_1 1.5000 322.8000
+ 2.0 3 c'_ c=_2 1.5000 322.8000
+ 2.0 3 c'_ c=_3 1.5000 322.8000
+ 2.0 2 c'_ ct_ 1.4200 311.1492
+ 2.0 6 c'_ ct2_ 1.4200 311.1492
+ 2.0 2 c'_ n_ 1.3600 388.0000
+ 2.0 2 c'_ n=_ 1.4050 296.2996
+ 2.0 3 c'_ n=_1 1.4050 296.2996
+ 2.0 3 c'_ n=_2 1.4050 296.2996
+ 2.0 3 c'_ n=_3 1.4050 296.2996
+ 2.0 2 c'_ np_ 1.4050 296.2996
+ 2.0 2 c'_ o_ 1.3400 400.0000
+ 2.0 2 c'_ o'_ 1.2200 615.3220
+ 2.0 2 c'_ o-_ 1.2500 572.8860
+ 2.0 2 c'_ op_ 1.3500 294.1008
+ 2.0 2 c'_ s_ 1.7700 175.0035
+ 2.0 2 c'_ s'_ 1.6110 510.2775
+ 2.0 2 c'_ s-_ 1.6800 280.3060
+ 2.0 2 c'_ sp_ 1.7400 215.3532
+ 2.0 2 c'_ h_ 1.1050 340.6175
+ 2.0 2 c'_ p_ 1.7200 241.3820
+ 2.0 2 c'_ f_ 1.3900 217.7092
+ 2.0 2 c'_ cl_ 1.7270 249.8588
+ 2.0 2 c'_ br_ 1.8750 228.2808
+ 2.0 2 c'_ si_ 1.8300 239.3552
+ 2.0 2 c'_ i_ 2.0610 208.6024
+ 2.0 2 cp_ cp_ 1.3900 480.0000
+ 2.0 2 cp_ c=_ 1.5000 322.8000
+ 2.0 3 cp_ c=_1 1.5000 322.8000
+ 2.0 3 cp_ c=_2 1.5000 322.8000
+ 2.0 3 cp_ c=_3 1.5000 322.8000
+ 2.0 2 cp_ ct_ 1.4000 321.6716
+ 2.0 6 cp_ ct2_ 1.4000 321.6716
+ 2.0 2 cp_ na_ 1.4120 257.7752
+ 2.0 2 cp_ n_ 1.4200 280.0000
+ 2.0 2 cp_ n=_ 1.3850 316.0380
+ 2.0 3 cp_ n=_1 1.3850 316.0380
+ 2.0 3 cp_ n=_2 1.3850 316.0380
+ 2.0 3 cp_ n=_3 1.3850 316.0380
+ 2.0 2 cp_ np_ 1.3500 440.0000
+ 2.0 2 cp_ n+_ 1.4120 251.3344
+ 2.0 2 cp_ o_ 1.3700 384.0000
+ 2.0 2 cp_ o'_ 1.3300 297.4852
+ 2.0 2 cp_ op_ 1.3700 420.0000
+ 2.0 2 cp_ s_ 1.7300 228.0000
+ 2.0 2 cp_ s'_ 1.7200 239.8024
+ 2.0 2 cp_ sp_ 1.7106 320.0000
+ 2.0 2 cp_ h_ 1.0800 363.4164
+ 2.0 2 cp_ p_ 1.7000 235.0428
+ 2.0 2 cp_ f_ 1.3630 496.0000
+ 2.0 2 cp_ cl_ 1.7610 314.0000
+ 2.0 2 cp_ br_ 1.9200 223.6000
+ 2.0 2 cp_ i_ 2.0410 217.4512
+ 2.0 2 cp_ si_ 1.8100 225.1676
+ 2.0 2 ci_ ci_ 1.3900 280.0000
+ 2.0 2 ci_ ni_ 1.3800 320.0000
+ 2.0 2 ci_ h_ 1.0800 363.4164
+ 2.0 2 c=_ c=_ 1.3300 655.2000
+ 2.0 3 c=_3 c=_3 1.3300 655.2000
+ 2.0 3 c=_1 c=_3 1.3300 655.2000
+ 2.0 3 c=_2 c=_2 1.4100 480.0000
+ 2.0 3 c=_1 c=_2 1.4800 320.0000
+ 2.0 3 c=_1 c=_1 1.4800 320.0000
+ 2.0 3 c=_2 c=_3 1.4800 320.0000
+ 2.0 2 c=_ ct_ 1.4250 337.6424
+ 2.0 6 c=_ ct2_ 1.3300 655.2000
+ 2.0 2 c=_ na_ 1.4370 273.7168
+ 2.0 2 c=_ n_ 1.4100 279.0740
+ 2.0 3 c=_1 ct_ 1.4250 337.6424
+ 2.0 3 c=_1 ct2_ 1.4250 337.6424
+ 2.0 3 c=_1 na_ 1.4370 273.7168
+ 2.0 3 c=_1 n_ 1.4100 279.0740
+ 2.0 3 c=_2 ct_ 1.4250 337.6424
+ 2.0 3 c=_2 ct2_ 1.3300 655.2000
+ 2.0 3 c=_2 na_ 1.4370 273.7168
+ 2.0 3 c=_2 n_ 1.4100 279.0740
+ 2.0 3 c=_3 ct_ 1.4250 337.6424
+ 2.0 3 c=_3 ct2_ 1.3300 655.2000
+ 2.0 3 c=_3 na_ 1.4370 273.7168
+ 2.0 3 c=_3 n_ 1.4100 279.0740
+ 2.0 2 c=_ n=_ 1.2600 560.0000
+ 2.0 3 c=_3 n=_3 1.2600 560.0000
+ 2.0 3 c=_1 n=_3 1.2600 560.0000
+ 2.0 3 c=_3 n=_1 1.2600 560.0000
+ 2.0 3 c=_2 n=_2 1.3430 493.5268
+ 2.0 3 c=_1 n=_2 1.4100 331.8740
+ 2.0 3 c=_2 n=_1 1.4100 331.8740
+ 2.0 3 c=_1 n=_1 1.4100 331.8740
+ 2.0 3 c=_3 n=_2 1.4100 331.8740
+ 2.0 3 c=_2 n=_3 1.4100 331.8740
+ 2.0 2 c=_ np_ 1.4100 331.8740
+ 2.0 2 c=_ o_ 1.3680 355.1988
+ 2.0 2 c=_ op_ 1.3550 340.5116
+ 2.0 2 c=_ o'_ 1.3550 312.9116
+ 2.0 2 c=_ h_ 1.0900 361.6000
+ 2.0 2 c=_ p_ 1.7250 250.9988
+ 2.0 2 c=_ s_ 1.7750 254.9440
+ 2.0 2 c=_ sp_ 1.7450 240.9880
+ 2.0 2 c=_ s'_ 1.7450 255.7880
+ 2.0 2 c=_ f_ 1.3950 285.1320
+ 2.0 2 c=_ cl_ 1.7320 278.5132
+ 2.0 2 c=_ br_ 1.8800 253.7008
+ 2.0 2 c=_ i_ 2.0660 233.4432
+ 2.0 2 c=_ si_ 1.8350 241.0424
+ 2.0 3 c=_1 np_ 1.4100 331.8740
+ 2.0 3 c=_1 o_ 1.3680 355.1988
+ 2.0 3 c=_1 op_ 1.3550 340.5116
+ 2.0 3 c=_1 o'_ 1.3550 312.9116
+ 2.0 3 c=_1 h_ 1.0900 361.6000
+ 2.0 3 c=_1 p_ 1.7250 250.9988
+ 2.0 3 c=_1 s_ 1.7750 254.9440
+ 2.0 3 c=_1 sp_ 1.7450 240.9880
+ 2.0 3 c=_1 s'_ 1.7450 255.7880
+ 2.0 3 c=_1 f_ 1.3950 285.1320
+ 2.0 3 c=_1 cl_ 1.7320 278.5132
+ 2.0 3 c=_1 br_ 1.8800 253.7008
+ 2.0 3 c=_1 i_ 2.0660 233.4432
+ 2.0 3 c=_1 si_ 1.8350 241.0424
+ 2.0 3 c=_2 np_ 1.4100 331.8740
+ 2.0 3 c=_2 o_ 1.3680 355.1988
+ 2.0 3 c=_2 op_ 1.3550 340.5116
+ 2.0 3 c=_2 o'_ 1.3550 312.9116
+ 2.0 3 c=_2 h_ 1.0900 361.6000
+ 2.0 3 c=_2 p_ 1.7250 250.9988
+ 2.0 3 c=_2 s_ 1.7750 254.9440
+ 2.0 3 c=_2 sp_ 1.7450 240.9880
+ 2.0 3 c=_2 s'_ 1.7450 255.7880
+ 2.0 3 c=_2 f_ 1.3950 285.1320
+ 2.0 3 c=_2 cl_ 1.7320 278.5132
+ 2.0 3 c=_2 br_ 1.8800 253.7008
+ 2.0 3 c=_2 i_ 2.0660 233.4432
+ 2.0 3 c=_2 si_ 1.8350 241.0424
+ 2.0 3 c=_3 np_ 1.4100 331.8740
+ 2.0 3 c=_3 o_ 1.3680 355.1988
+ 2.0 3 c=_3 op_ 1.3550 340.5116
+ 2.0 3 c=_3 o'_ 1.3550 312.9116
+ 2.0 3 c=_3 h_ 1.0900 361.6000
+ 2.0 3 c=_3 p_ 1.7250 250.9988
+ 2.0 3 c=_3 s_ 1.7750 254.9440
+ 2.0 3 c=_3 sp_ 1.7450 240.9880
+ 2.0 3 c=_3 s'_ 1.7450 255.7880
+ 2.0 3 c=_3 f_ 1.3950 285.1320
+ 2.0 3 c=_3 cl_ 1.7320 278.5132
+ 2.0 3 c=_3 br_ 1.8800 253.7008
+ 2.0 3 c=_3 i_ 2.0660 233.4432
+ 2.0 3 c=_3 si_ 1.8350 241.0424
+ 2.0 2 cr_ n=_ 1.2600 560.0000
+ 2.0 3 cr_ n=_1 1.2600 560.0000
+ 2.0 3 cr_ n=_2 1.2600 560.0000
+ 2.0 3 cr_ n=_3 1.2600 560.0000
+ 2.0 2 cr_ n_ 1.3200 388.0000
+ 2.0 2 ct_ ct_ 1.2040 800.0000
+ 2.0 2 ct_ nt_ 1.1580 880.0000
+ 2.0 2 ct_ na_ 1.3820 286.8096
+ 2.0 2 ct_ n_ 1.3550 289.4448
+ 2.0 2 ct_ n=_ 1.3550 342.2448
+ 2.0 3 ct_ n=_1 1.3550 342.2448
+ 2.0 3 ct_ n=_2 1.3550 342.2448
+ 2.0 3 ct_ n=_3 1.3550 342.2448
+ 2.0 2 ct_ n+_ 1.3820 278.3768
+ 2.0 2 ct_ o_ 1.3130 367.8164
+ 2.0 2 ct_ s_ 1.7200 271.4328
+ 2.0 2 ct_ op_ 1.3000 346.4680
+ 2.0 2 ct_ o'_ 1.3000 318.8680
+ 2.0 2 ct_ sp_ 1.6900 256.0344
+ 2.0 2 ct_ s'_ 1.6900 270.8344
+ 2.0 2 ct_ p_ 1.6700 273.4668
+ 2.0 2 ct_ h_ 1.0530 316.9016
+ 2.0 2 ct_ f_ 1.3400 278.3932
+ 2.0 2 ct_ cl_ 1.6770 292.1952
+ 2.0 2 ct_ br_ 1.8250 268.8528
+ 2.0 2 ct_ i_ 2.0110 248.9268
+ 2.0 2 ct_ si_ 1.7800 267.2964
+ 2.0 6 ct2_ ct2_ 1.2040 800.0000
+ 2.0 6 ct2_ nt_ 1.1580 880.0000
+ 2.0 6 ct2_ na_ 1.3820 286.8096
+ 2.0 6 ct2_ n_ 1.3550 289.4448
+ 2.0 6 ct2_ n=_ 1.2600 560.0000
+ 2.0 6 ct2_ n=_1 1.3550 342.2448
+ 2.0 6 ct2_ n=_2 1.2600 560.0000
+ 2.0 6 ct2_ n=_3 1.2600 560.0000
+ 2.0 6 ct2_ n+_ 1.3820 278.3768
+ 2.0 6 ct2_ o_ 1.3130 367.8164
+ 2.0 6 ct2_ s_ 1.7200 271.4328
+ 2.0 6 ct2_ op_ 1.3000 346.4680
+ 2.0 6 ct2_ o'_ 1.1600 615.3220
+ 2.0 6 ct2_ sp_ 1.6900 256.0344
+ 2.0 6 ct2_ s'_ 1.6000 510.2775
+ 2.0 6 ct2_ p_ 1.6700 273.4668
+ 2.0 6 ct2_ h_ 1.0530 316.9016
+ 2.0 6 ct2_ f_ 1.3400 278.3932
+ 2.0 6 ct2_ cl_ 1.6770 292.1952
+ 2.0 6 ct2_ br_ 1.8250 268.8528
+ 2.0 6 ct2_ i_ 2.0110 248.9268
+ 2.0 6 ct2_ si_ 1.7800 267.2964
+ 2.0 2 na_ na_ 1.3940 220.8000
+ 2.0 2 na_ n_ 1.3670 221.6968
+ 2.0 2 na_ np_ 1.3670 274.4968
+ 2.0 2 na_ n=_ 1.3670 274.4968
+ 2.0 3 na_ n=_1 1.3670 274.4968
+ 2.0 3 na_ n=_2 1.3670 274.4968
+ 2.0 3 na_ n=_3 1.3670 274.4968
+ 2.0 2 na_ n+_ 1.3940 211.1592
+ 2.0 2 na_ o_ 1.3250 301.3500
+ 2.0 2 na_ s_ 1.7320 206.9404
+ 2.0 2 na_ op_ 1.3120 274.1760
+ 2.0 2 na_ o'_ 1.3120 246.5760
+ 2.0 2 na_ sp_ 1.7020 190.9752
+ 2.0 2 na_ s'_ 1.7020 205.7752
+ 2.0 2 na_ p_ 1.6820 210.5400
+ 2.0 2 na_ h_ 1.0260 457.4592
+ 2.0 2 na_ f_ 1.3520 200.9852
+ 2.0 2 na_ cl_ 1.6890 226.4260
+ 2.0 2 na_ br_ 1.8370 203.8340
+ 2.0 2 na_ i_ 2.0230 184.0104
+ 2.0 2 na_ si_ 1.7920 204.4236
+ 2.0 2 n_ n_ 1.3400 220.0000
+ 2.0 2 n_ np_ 1.3400 272.8000
+ 2.0 2 n_ n=_ 1.3400 272.8000
+ 2.0 3 n_ n=_1 1.3400 272.8000
+ 2.0 3 n_ n=_2 1.3400 272.8000
+ 2.0 3 n_ n=_3 1.3400 272.8000
+ 2.0 2 n_ n+_ 1.3670 210.6360
+ 2.0 2 n_ o_ 1.2980 301.2632
+ 2.0 2 n_ s_ 1.7050 210.6208
+ 2.0 2 n_ op_ 1.2850 267.1080
+ 2.0 2 n_ o'_ 1.2850 239.5080
+ 2.0 2 n_ sp_ 1.6750 193.4844
+ 2.0 2 n_ s'_ 1.6750 208.2844
+ 2.0 2 n_ p_ 1.6550 219.9524
+ 2.0 2 n_ h_ 1.0260 483.4512
+ 2.0 2 n_ f_ 1.3250 189.3856
+ 2.0 2 n_ cl_ 1.6620 227.5604
+ 2.0 2 n_ br_ 1.8100 206.3980
+ 2.0 2 n_ i_ 1.9960 186.6972
+ 2.0 2 n_ si_ 1.7650 216.8064
+ 2.0 2 np_ np_ 1.3400 408.0000
+ 2.0 2 np_ n=_ 1.3400 325.6000
+ 2.0 3 np_ n=_1 1.3400 325.6000
+ 2.0 3 np_ n=_2 1.3400 325.6000
+ 2.0 3 np_ n=_3 1.3400 325.6000
+ 2.0 2 np_ n+_ 1.3670 263.4360
+ 2.0 2 np_ o_ 1.2980 354.0632
+ 2.0 2 np_ o'_ 1.2850 292.3080
+ 2.0 2 np_ o-_ 1.2850 319.9080
+ 2.0 2 np_ op_ 1.2850 319.9080
+ 2.0 2 np_ s_ 1.7050 263.4208
+ 2.0 2 np_ s'_ 1.6750 261.0844
+ 2.0 2 np_ sp_ 1.6750 246.2844
+ 2.0 2 np_ p_ 1.6550 272.7524
+ 2.0 2 np_ h_ 1.0260 483.4512
+ 2.0 2 np_ f_ 1.3250 242.1856
+ 2.0 2 np_ cl_ 1.6620 280.3604
+ 2.0 2 np_ br_ 1.8100 259.1980
+ 2.0 2 np_ i_ 1.9960 239.4972
+ 2.0 2 np_ si_ 1.7650 269.6064
+ 2.0 2 n=_ n=_ 1.2100 651.2000
+ 2.0 3 n=_3 n=_3 1.2100 651.2000
+ 2.0 3 n=_1 n=_3 1.2100 651.2000
+ 2.0 3 n=_2 n=_2 1.2760 488.0000
+ 2.0 3 n=_1 n=_2 1.3400 325.6000
+ 2.0 3 n=_1 n=_1 1.3400 325.6000
+ 2.0 2 n=_2 n=_3 1.3400 325.6000
+ 2.0 2 n=_ n+_ 1.3670 263.4360
+ 2.0 2 n=_ o_ 1.2980 354.0632
+ 2.0 3 n=_1 n+_ 1.3670 263.4360
+ 2.0 3 n=_1 o_ 1.2980 354.0632
+ 2.0 3 n=_2 n+_ 1.3670 263.4360
+ 2.0 3 n=_2 o_ 1.2980 354.0632
+ 2.0 3 n=_3 n+_ 1.3670 263.4360
+ 2.0 3 n=_3 o_ 1.2980 354.0632
+ 2.0 2 n=_ o'_ 1.1600 575.8720
+ 2.0 3 n=_1 o'_ 1.2850 292.3080
+ 2.0 3 n=_2 o'_ 1.2225 434.0900
+ 2.0 3 n=_3 o'_ 1.1600 575.8720
+ 2.0 2 n=_ o-_ 1.2850 319.9080
+ 2.0 3 n=_1 o-_ 1.2850 319.9080
+ 2.0 3 n=_2 o-_ 1.2850 319.9080
+ 2.0 3 n=_3 o-_ 1.2850 319.9080
+ 2.0 2 n=_ op_ 1.2850 319.9080
+ 2.0 3 n=_1 op_ 1.2850 319.9080
+ 2.0 3 n=_2 op_ 1.2850 319.9080
+ 2.0 3 n=_3 op_ 1.2850 319.9080
+ 2.0 2 n=_ s_ 1.7050 263.4208
+ 2.0 3 n=_1 s_ 1.7050 263.4208
+ 2.0 3 n=_2 s_ 1.7050 263.4208
+ 2.0 2 n=_3 s_ 1.7050 263.4208
+ 2.0 2 n=_ sp_ 1.6750 246.2844
+ 2.0 3 n=_1 sp_ 1.6750 246.2844
+ 2.0 3 n=_2 sp_ 1.6750 246.2844
+ 2.0 2 n=_3 sp_ 1.6750 246.2844
+ 2.0 2 n=_ s'_ 1.5900 489.2400
+ 2.0 3 n=_1 s'_ 1.6750 261.0844
+ 2.0 3 n=_2 s'_ 1.6325 375.1624
+ 2.0 3 n=_3 s'_ 1.5900 489.2400
+ 2.0 2 n=_ p_ 1.6550 272.7524
+ 2.0 2 n=_ h_ 1.0380 551.2061
+ 2.0 2 n=_ f_ 1.3250 242.1856
+ 2.0 2 n=_ cl_ 1.6620 280.3604
+ 2.0 2 n=_ br_ 1.8100 259.1980
+ 2.0 2 n=_ i_ 1.9960 239.4972
+ 2.0 2 n=_ si_ 1.7650 269.6064
+ 2.0 3 n=_1 p_ 1.6550 272.7524
+ 2.0 3 n=_1 h_ 1.0380 551.2061
+ 2.0 3 n=_1 f_ 1.3250 242.1856
+ 2.0 3 n=_1 cl_ 1.6620 280.3604
+ 2.0 3 n=_1 br_ 1.8100 259.1980
+ 2.0 3 n=_1 i_ 1.9960 239.4972
+ 2.0 3 n=_1 si_ 1.7650 269.6064
+ 2.0 3 n=_2 p_ 1.6550 272.7524
+ 2.0 3 n=_2 h_ 1.0380 551.2061
+ 2.0 3 n=_2 f_ 1.3250 242.1856
+ 2.0 3 n=_2 cl_ 1.6620 280.3604
+ 2.0 3 n=_2 br_ 1.8100 259.1980
+ 2.0 3 n=_2 i_ 1.9960 239.4972
+ 2.0 3 n=_2 si_ 1.7650 269.6064
+ 2.0 3 n=_3 p_ 1.6550 272.7524
+ 2.0 3 n=_3 h_ 1.0380 551.2061
+ 2.0 3 n=_3 f_ 1.3250 242.1856
+ 2.0 3 n=_3 cl_ 1.6620 280.3604
+ 2.0 3 n=_3 br_ 1.8100 259.1980
+ 2.0 3 n=_3 i_ 1.9960 239.4972
+ 2.0 3 n=_3 si_ 1.7650 269.6064
+ 2.0 2 n+_ n+_ 1.3940 193.5604
+ 2.0 2 n+_ o_ 1.3250 291.0020
+ 2.0 2 n+_ s_ 1.7320 200.1168
+ 2.0 2 n+_ op_ 1.3120 261.7060
+ 2.0 2 n+_ o'_ 1.3120 234.1060
+ 2.0 2 n+_ sp_ 1.7020 183.2952
+ 2.0 2 n+_ s'_ 1.7020 198.0952
+ 2.0 2 n+_ p_ 1.6820 209.1536
+ 2.0 2 n+_ h_ 1.0650 461.1848
+ 2.0 2 n+_ f_ 1.3520 178.0372
+ 2.0 2 n+_ cl_ 1.6890 217.7248
+ 2.0 2 n+_ br_ 1.8370 196.5940
+ 2.0 2 n+_ i_ 2.0230 177.2764
+ 2.0 2 n+_ si_ 1.7920 206.9412
+ 2.0 2 nz_ nz_ 1.0976 1632.4955
+ 2.0 2 nt_ nt_ 1.0976 1632.4955
+ 2.0 2 o_ o_ 1.2080 833.6868
+ 2.0 2 o_ s_ 1.6930 288.0848
+ 2.0 2 o_ op_ 1.2430 350.7720
+ 2.0 2 o_ o'_ 1.2430 323.1720
+ 2.0 2 o_ sp_ 1.6330 271.9584
+ 2.0 2 o_ s'_ 1.6330 286.7584
+ 2.0 2 o_ p_ 1.6100 245.2000
+ 2.0 2 o_ si_ 1.6650 392.8000
+ 2.0 2 o_ h_ 0.9600 493.8480
+ 2.0 2 o_ f_ 1.4180 224.0000
+ 2.0 2 o_ cl_ 1.6500 307.0632
+ 2.0 2 o_ br_ 1.7980 284.7988
+ 2.0 2 o_ i_ 1.9840 264.9868
+ 2.0 2 o'_ o'_ 1.1100 484.8000
+ 2.0 2 o'_ op_ 1.2300 272.4000
+ 2.0 2 o'_ s_ 1.5900 360.4188
+ 2.0 2 o'_ sp_ 1.5600 341.2736
+ 2.0 2 o'_ s'_ 1.5400 421.5188
+ 2.0 2 o'_ p_ 1.4800 524.0000
+ 2.0 2 o'_ h_ 0.9830 458.4610
+ 2.0 2 o'_ f_ 1.2700 204.0505
+ 2.0 2 o'_ cl_ 1.6070 251.7939
+ 2.0 2 o'_ br_ 1.7550 233.2954
+ 2.0 2 o'_ i_ 1.9410 213.2317
+ 2.0 2 o'_ si_ 1.6500 454.7464
+ 2.0 2 op_ op_ 1.2300 300.0000
+ 2.0 2 op_ s_ 1.6800 266.7748
+ 2.0 2 op_ sp_ 1.6500 247.8440
+ 2.0 2 op_ s'_ 1.6200 262.9744
+ 2.0 2 op_ p_ 1.6300 286.0904
+ 2.0 2 op_ h_ 0.9830 486.0610
+ 2.0 2 op_ f_ 1.2700 231.6505
+ 2.0 2 op_ cl_ 1.6070 279.3939
+ 2.0 2 op_ br_ 1.7550 260.8954
+ 2.0 2 op_ i_ 1.9410 240.8317
+ 2.0 2 op_ si 1.5870 292.2400
+ 2.0 2 o-_ p_ 1.4800 428.0000
+ 2.0 2 s_ s_ 2.0547 180.0000
+ 2.0 2 s_ sp_ 2.0400 175.1260
+ 2.0 2 s_ s'_ 2.0400 189.9260
+ 2.0 2 s_ p_ 2.0200 186.8792
+ 2.0 2 s_ h_ 1.3300 274.1288
+ 2.0 2 s_ f_ 1.6900 204.8184
+ 2.0 2 s_ cl_ 2.0270 212.0812
+ 2.0 2 s_ br_ 2.1750 187.8836
+ 2.0 2 s_ i_ 2.3610 167.7624
+ 2.0 2 s_ si_ 2.1300 177.2928
+ 2.0 2 s'_ s'_ 1.9700 320.0000
+ 2.0 2 s'_ p_ 1.9700 255.2524
+ 2.0 2 s'_ h_ 1.3730 316.8138
+ 2.0 2 s'_ f_ 1.6600 195.3021
+ 2.0 2 s'_ cl_ 1.9970 211.1368
+ 2.0 2 s'_ br_ 2.1450 187.6017
+ 2.0 2 s'_ i_ 2.3310 167.6272
+ 2.0 2 s'_ si_ 2.0800 247.5744
+ 2.0 2 s-_ p_ 1.9800 210.9800
+ 2.0 2 sp_ sp_ 2.0100 160.0000
+ 2.0 2 sp_ s'_ 1.9900 240.0000
+ 2.0 2 sp_ p_ 1.9900 175.1796
+ 2.0 2 sp_ h_ 1.3730 236.5449
+ 2.0 2 sp_ f_ 1.6600 180.5021
+ 2.0 2 sp_ cl_ 1.9970 196.3368
+ 2.0 2 sp_ br_ 2.1450 172.8017
+ 2.0 2 sp_ i_ 2.3310 152.8272
+ 2.0 2 sp_ si_ 2.1000 167.4260
+ 2.0 2 p_ p_ 1.9700 176.0000
+ 2.0 2 p_ h_ 1.4300 224.0000
+ 2.0 2 p_ f_ 1.5400 230.3664
+ 2.0 2 p_ cl_ 2.0430 208.8228
+ 2.0 2 p_ br_ 2.1800 183.1472
+ 2.0 2 p_ i_ 2.3110 162.7080
+ 2.0 2 p_ si_ 1.9170 168.2072
+ 2.0 2 h_ h_ 0.7461 398.7301
+ 2.0 2 h_ f_ 1.0230 520.7304
+ 2.0 2 h_ cl_ 1.3600 345.9024
+ 2.0 2 h_ br_ 1.5080 314.1728
+ 2.0 2 h_ i_ 1.6940 292.0432
+ 2.0 2 h_ si_ 1.4630 288.3168
+ 2.0 2 d_ d_ 0.7416 398.2392
+ 2.0 2 f_ f_ 1.4170 259.0683
+ 2.0 2 f_ cl_ 1.6470 207.1180
+ 2.0 2 f_ br_ 1.7950 193.5000
+ 2.0 2 f_ i_ 1.9810 174.1664
+ 2.0 2 f_ si_ 1.5870 297.3400
+ 2.0 2 cl_ cl_ 1.9880 236.5339
+ 2.0 2 cl_ br_ 2.1320 209.1876
+ 2.0 2 cl_ i_ 2.3180 189.3396
+ 2.0 2 cl_ si_ 2.0870 207.9748
+ 2.0 2 br_ br_ 2.2900 175.6329
+ 2.0 2 br_ i_ 2.4660 165.6156
+ 2.0 2 br_ si_ 2.2350 180.2320
+ 2.0 2 i_ i_ 2.6620 123.2110
+ 2.0 2 i_ si_ 2.4210 158.9664
+ 2.0 2 si_ si_ 2.1900 144.0000
+
+#quadratic_angle cff91_auto
+
+> E = K2 * (Theta - Theta0)^2
+
+!Ver Ref I J K Theta0 K2
+!---- --- ---- ---- ---- -------- -------
+ 2.0 2 c3m_ c3m_ c3m_ 60.0000 46.0000
+ 2.0 2 c3m_ c3m_ *7 109.5000 46.0000
+ 2.0 2 c4m_ c3m_ *7 109.5000 46.0000
+ 2.0 2 c_ c3m_ *7 109.5000 46.0000
+ 2.0 2 n_ c3m_ *6 109.5000 50.0000
+ 2.0 2 n3m_ c3m_ *6 109.5000 50.0000
+ 2.0 2 n4m_ c3m_ *6 109.5000 50.0000
+ 2.0 2 n3m_ c3m_ c3m_ 60.0000 50.0000
+ 2.0 2 n3m_ c3m_ n3m_ 60.0000 50.0000
+ 2.0 2 n_ c3m_ c_ 112.0000 50.0000
+ 2.0 2 n_ c3m_ c3m_ 112.0000 50.0000
+ 2.0 2 n_ c3m_ c4m_ 112.0000 50.0000
+ 2.0 2 o_ c3m_ *5 109.5000 70.0000
+ 2.0 2 o'_ c3m_ *5 109.5000 70.0000
+ 2.0 2 o3e_ c3m_ *5 109.5000 70.0000
+ 2.0 2 o3e_ c3m_ c3m_ 60.0000 70.0000
+ 2.0 2 o4e_ c3m_ *5 109.5000 70.0000
+ 2.0 2 s_ c3m_ *4 109.5000 62.0000
+ 2.0 2 s'_ c3m_ *4 109.5000 62.0000
+ 2.0 2 s3e_ c3m_ *4 109.5000 62.0000
+ 2.0 2 s3e_ c3m_ c3m_ 60.0000 62.0000
+ 2.0 2 s3e_ c3m_ s3e_ 60.0000 62.0000
+ 2.0 2 s4e_ c3m_ *4 109.5000 62.0000
+ 2.0 2 h_ c3m_ *2 109.5000 44.0000
+ 2.0 2 f_ c3m_ *3 107.8000 95.0000
+ 2.0 2 f_ c3m_ h_ 107.1000 62.0000
+ 2.0 2 si_ c3m_ *1 112.3000 34.6000
+ 2.0 2 * c3m_ * 109.5000 60.0000
+ 2.0 2 c4m_ c4m_ c4m_ 95.0000 46.0000
+ 2.0 2 c4m_ c4m_ n4m_ 88.3400 50.0000
+ 2.0 2 c4m_ c4m_ o4e_ 91.8400 70.0000
+ 2.0 2 c4m_ c4m_ s4e_ 94.5900 62.0000
+ 2.0 2 c3m_ c4m_ *7 109.5000 46.0000
+ 2.0 2 c4m_ c4m_ *7 109.5000 46.0000
+ 2.0 2 c4m_ c4m_ o_ 121.0000 46.0000
+ 2.0 2 c_ c4m_ *7 109.5000 46.0000
+ 2.0 2 n_ c4m_ *6 109.5000 50.0000
+ 2.0 2 n3m_ c4m_ *6 109.5000 50.0000
+ 2.0 2 n4m_ c4m_ *6 109.5000 50.0000
+ 2.0 2 n4m_ c4m_ n4m_ 88.4000 50.0000
+ 2.0 2 n4m_ c4m_ o4m_ 90.0000 70.0000
+ 2.0 2 n4m_ c4m_ s4m_ 89.0000 62.0000
+ 2.0 2 n_ c4m_ c_ 112.0000 50.0000
+ 2.0 2 n_ c4m_ c3m_ 112.0000 50.0000
+ 2.0 2 n_ c4m_ c4m_ 112.0000 50.0000
+ 2.0 2 o_ c4m_ *5 109.5000 70.0000
+ 2.0 2 o'_ c4m_ *5 109.5000 70.0000
+ 2.0 2 o3e_ c4m_ *5 109.5000 70.0000
+ 2.0 2 o4e_ c4m_ *5 109.5000 70.0000
+ 2.0 2 o4e_ c4m_ o4e_ 90.0000 70.0000
+ 2.0 2 o4e_ c4m_ s4e_ 89.0000 70.0000
+ 2.0 2 s_ c4m_ *4 109.5000 62.0000
+ 2.0 2 s'_ c4m_ *4 109.5000 62.0000
+ 2.0 2 s3e_ c4m_ *4 109.5000 62.0000
+ 2.0 2 s4e_ c4m_ s4e_ 91.0000 62.0000
+ 2.0 2 s4e_ c4m_ *4 109.5000 62.0000
+ 2.0 2 h_ c4m_ *2 109.5000 44.0000
+ 2.0 2 f_ c4m_ *3 107.8000 95.0000
+ 2.0 2 f_ c4m_ h_ 107.1000 62.0000
+ 2.0 2 si_ c4m_ *1 112.3000 34.6000
+ 2.0 2 * c4m_ * 109.5000 60.0000
+ 2.0 2 c3m_ c_ *7 109.5000 46.0000
+ 2.0 2 c4m_ c_ *7 109.5000 46.0000
+ 2.0 2 n3m_ c_ *6 109.5000 50.0000
+ 2.0 2 n4m_ c_ *6 109.5000 50.0000
+ 2.0 2 n3m_ c_ c_ 114.0000 50.0000
+ 2.0 2 n4m_ c_ c_ 114.0000 50.0000
+ 2.0 2 n_ c_ c3m_ 114.0000 50.0000
+ 2.0 2 n_ c_ c4m_ 114.0000 50.0000
+ 2.0 2 s3m_ c_ *4 109.5000 62.0000
+ 2.0 2 s4m_ c_ *4 109.5000 62.0000
+ 2.0 2 c3m_ c'_ *9 120.0000 40.0000
+ 2.0 2 c4m_ c'_ *9 120.0000 40.0000
+ 2.0 2 n3m_ c'_ *8 120.0000 53.5000
+ 2.0 2 n4m_ c'_ *8 120.0000 53.5000
+ 2.0 2 s3e_ c'_ *5 120.0000 40.0000
+ 2.0 2 s4e_ c'_ *5 120.0000 40.0000
+ 2.0 2 n3m_ c'_ c_ 114.0000 82.0000
+ 2.0 2 n4m_ c'_ c_ 114.0000 82.0000
+ 2.0 2 o'_ c'_ n3m_ 125.0000 145.0000
+ 2.0 2 o'_ c'_ n4m_ 123.0000 145.0000
+ 2.0 2 c3m_ cp_ *7 120.0000 80.0000
+ 2.0 2 c4m_ cp_ *7 120.0000 80.0000
+ 2.0 2 n3m_ cp_ *6 120.0000 102.0000
+ 2.0 2 n4m_ cp_ *6 120.0000 102.0000
+ 2.0 2 s3e_ cp_ *4 120.0000 89.0000
+ 2.0 2 s4e_ cp_ *4 120.0000 89.0000
+ 2.0 2 c3m_ c=_ *7 120.0000 36.2000
+ 2.0 2 c4m_ c=_ *7 120.0000 36.2000
+ 2.0 2 n3m_ c=_ *6 120.0000 90.0000
+ 2.0 2 n4m_ c=_ *6 120.0000 90.0000
+ 2.0 2 s3e_ c=_ *4 120.0000 40.0000
+ 2.0 2 s4e_ c=_ *4 120.0000 40.0000
+ 2.0 2 c3m_ na_ *9 109.0000 80.0000
+ 2.0 2 c4m_ na_ *9 109.0000 80.0000
+ 2.0 2 n3m_ na_ *8 109.0000 80.0000
+ 2.0 2 n4m_ na_ *8 109.0000 80.0000
+ 2.0 2 s3e_ na_ *5 109.0000 80.0000
+ 2.0 2 s4e_ na_ *5 109.0000 80.0000
+ 2.0 2 c_ n3m_ *9 114.0000 80.0000
+ 2.0 2 c_ n3m_ c3m_ 113.0000 80.0000
+ 2.0 2 c3m_ n3m_ c3m_ 60.0000 80.0000
+ 2.0 2 n_ n3m_ *8 109.0000 80.0000
+ 2.0 2 n3m_ n3m_ *8 109.0000 80.0000
+ 2.0 2 n4m_ n3m_ *8 109.0000 80.0000
+ 2.0 2 o_ n3m_ *7 109.0000 80.0000
+ 2.0 2 o'_ n3m_ *6 114.0000 80.0000
+ 2.0 2 s_ n3m_ *5 109.0000 80.0000
+ 2.0 2 s3e_ n3m_ *5 109.0000 80.0000
+ 2.0 2 s4e_ n3m_ *5 109.0000 80.0000
+ 2.0 2 s'_ n3m_ *4 114.0000 80.0000
+ 2.0 2 h_ n3m_ *3 110.0000 41.6000
+ 2.0 2 h_ n3m_ c3m_ 110.0000 41.6000
+ 2.0 2 f_ n3m_ *2 109.0000 80.0000
+ 2.0 2 si_ n3m_ *1 109.0000 41.6000
+ 2.0 2 * n3m_ * 109.0000 80.0000
+ 2.0 2 c_ n4m_ *9 110.0000 80.0000
+ 2.0 2 c4m_ n4m_ c4m_ 91.3800 80.0000
+ 2.0 2 n_ n4m_ *8 109.0000 80.0000
+ 2.0 2 n3m_ n4m_ *8 109.0000 80.0000
+ 2.0 2 n4m_ n4m_ *8 109.0000 80.0000
+ 2.0 2 o_ n4m_ *7 109.0000 80.0000
+ 2.0 2 o'_ n4m_ *6 114.0000 80.0000
+ 2.0 2 s_ n4m_ *5 109.0000 80.0000
+ 2.0 2 s3e_ n4m_ *5 109.0000 80.0000
+ 2.0 2 s4e_ n4m_ *5 109.0000 80.0000
+ 2.0 2 s'_ n4m_ *4 114.0000 80.0000
+ 2.0 2 h_ n4m_ *3 110.0000 41.6000
+ 2.0 2 h_ n4m_ c4m_ 110.0000 41.6000
+ 2.0 2 f_ n4m_ *2 109.0000 80.0000
+ 2.0 2 si_ n4m_ *1 109.0000 41.6000
+ 2.0 2 * n4m_ * 109.0000 80.0000
+ 2.0 2 c3m_ n_ *9 120.0000 50.0000
+ 2.0 2 c4m_ n_ *9 120.0000 50.0000
+ 2.0 2 s3e_ n_ *5 120.0000 50.0000
+ 2.0 2 s4e_ n_ *5 120.0000 50.0000
+ 2.0 2 c3m_ np_ *7 120.0000 75.0000
+ 2.0 2 c4m_ np_ *7 120.0000 75.0000
+ 2.0 2 s3e_ np_ *4 120.0000 75.0000
+ 2.0 2 s4e_ np_ *4 120.0000 75.0000
+ 2.0 2 c3m_ o_ *7 109.5000 60.0000
+ 2.0 2 c4m_ o_ *7 109.5000 60.0000
+ 2.0 2 c3m_ o3e_ c3m_ 58.9580 60.0000
+ 2.0 2 c4m_ o4e_ c4m_ 91.7370 60.0000
+ 2.0 2 n3m_ o_ *6 120.0000 72.0000
+ 2.0 2 n4m_ o_ *6 120.0010 72.0000
+ 2.0 2 s3e_ o_ *4 109.5000 60.0000
+ 2.0 2 s4e_ o_ *4 109.5000 60.0000
+ 2.0 2 * op_ * 108.0000 75.0000
+ 2.0 2 si_ op_ *1 106.0000 27.5000
+ 2.0 2 c3m_ s_ *7 99.0000 58.0000
+ 2.0 2 c4m_ s_ *7 99.0000 58.0000
+ 2.0 2 n3m_ s_ *6 113.1000 42.3000
+ 2.0 2 n4m_ s_ *6 113.1000 42.3000
+ 2.0 2 s3e_ s_ *4 103.5000 75.0000
+ 2.0 2 s4e_ s_ *4 103.5000 75.0000
+ 2.0 2 c3m_ s3e_ c3m_ 44.5000 58.0000
+ 2.0 2 c3m_ s3e_ *7 99.0000 58.0000
+ 2.0 2 c4m_ s3e_ *7 99.0000 58.0000
+ 2.0 2 c_ s3e_ *7 99.0000 58.0000
+ 2.0 2 n_ s3e_ *6 113.1000 42.3000
+ 2.0 2 n3m_ s3e_ *6 113.1000 42.3000
+ 2.0 2 n4m_ s3e_ *6 113.1000 42.3000
+ 2.0 2 o_ s3e_ *5 113.1000 42.3000
+ 2.0 2 o'_ s3e_ *5 113.1000 42.3000
+ 2.0 2 s3e_ s3e_ *4 103.5000 75.0000
+ 2.0 2 s4e_ s3e_ *4 103.5000 75.0000
+ 2.0 2 s'_ s3e_ *4 109.5000 75.0000
+ 2.0 2 s_ s3e_ *4 109.5000 75.0000
+ 2.0 2 h_ s3e_ *2 112.0000 31.8000
+ 2.0 2 f_ s3e_ *3 109.5000 75.0000
+ 2.0 2 si_ s3e_ *1 109.5000 48.0000
+ 2.0 2 * s3e_ * 109.5000 75.0000
+ 2.0 2 c4m_ s4e_ c4m_ 85.9200 58.0000
+ 2.0 2 c3m_ s4e_ *7 99.0000 58.0000
+ 2.0 2 c4m_ s4e_ *7 99.0000 58.0000
+ 2.0 2 c_ s4e_ *7 99.0000 58.0000
+ 2.0 2 n_ s4e_ *6 113.1000 42.3000
+ 2.0 2 n3m_ s4e_ *6 113.1000 42.3000
+ 2.0 2 n4m_ s4e_ *6 113.1000 42.3000
+ 2.0 2 o_ s4e_ *5 113.1000 42.3000
+ 2.0 2 o'_ s4e_ *5 113.1000 42.3000
+ 2.0 2 s3e_ s4e_ *4 103.5000 75.0000
+ 2.0 2 s4e_ s4e_ *4 103.5000 75.0000
+ 2.0 2 s'_ s4e_ *4 109.5000 75.0000
+ 2.0 2 s_ s4e_ *4 109.5000 75.0000
+ 2.0 2 h_ s4e_ *2 112.0000 31.8000
+ 2.0 2 f_ s4e_ *3 109.5000 75.0000
+ 2.0 2 si_ s4e_ *1 109.5000 48.0000
+ 2.0 2 * s4e_ * 109.5000 75.0000
+ 2.0 2 c3m_ sp_ *7 92.5670 126.5060
+ 2.0 2 c4m_ sp_ *7 92.5670 126.5060
+ 2.0 2 c3m_ p_ *9 109.5000 45.0000
+ 2.0 2 c4m_ p_ *9 109.5000 45.0000
+ 2.0 2 c3m_ si_ *7 113.5000 44.4000
+ 2.0 2 c4m_ si_ *7 113.5000 44.4000
+ 2.0 2 c_ c_ *7 109.5000 46.0000
+ 2.0 2 n_ c_ *6 109.5000 50.0000
+ 2.0 2 n_ c_ c_ 114.0000 50.0000
+ 2.0 2 o_ c_ *5 109.5000 70.0000
+ 2.0 2 s_ c_ *4 109.5000 62.0000
+ 2.0 2 s'_ c_ *4 109.5000 62.0000
+ 2.0 2 c_ c_ o_ 110.5000 46.0000
+ 2.0 2 c_ c_ s_ 115.0000 46.0000
+ 2.0 2 h_ c_ *2 109.5000 44.0000
+ 2.0 2 f_ c_ *3 107.8000 95.0000
+ 2.0 2 f_ c_ h_ 107.1000 62.0000
+ 2.0 2 si_ c_ *1 112.3000 34.6000
+ 2.0 2 * c_ * 109.5000 60.0000
+ 2.0 2 c_ c'_ c_ 115.0000 40.0000
+ 2.0 2 c_ c'_ *9 120.0000 40.0000
+ 2.0 2 n_ c'_ *8 120.0000 53.5000
+ 2.0 2 o_ c'_ *7 110.0000 122.0000
+ 2.0 2 o'_ c'_ *6 120.0000 68.0000
+ 2.0 2 s_ c'_ *5 120.0000 40.0000
+ 2.0 2 s'_ c'_ *4 123.0000 80.0000
+ 2.0 2 h_ c'_ *2 110.0000 55.0000
+ 2.0 2 n_ c'_ n_ 120.0000 102.0000
+ 2.0 2 n_ c'_ c_ 114.0000 82.0000
+ 2.0 2 o'_ c'_ o_ 123.0000 145.0000
+ 2.0 2 o'_ c'_ h_ 120.0000 55.0000
+ 2.0 2 o'_ c'_ n_ 123.0000 145.0000
+ 2.0 2 h_ c'_ h_ 117.0200 26.3900
+ 2.0 2 f_ c'_ *3 120.0000 99.0000
+ 2.0 2 si_ c'_ *1 120.0000 34.6000
+ 2.0 2 * c'_ * 120.0000 65.0000
+ 2.0 2 c_ cp_ *7 120.0000 80.0000
+ 2.0 2 n_ cp_ *6 120.0000 102.0000
+ 2.0 2 o_ cp_ *5 120.0000 60.0000
+ 2.0 2 o'_ cp_ *5 120.0000 60.0000
+ 2.0 2 s_ cp_ *4 120.0000 89.0000
+ 2.0 2 s_ cp_ c_ 114.0000 89.0000
+ 2.0 2 s'_ cp_ *4 120.0000 60.0000
+ 2.0 2 h_ cp_ *2 120.0000 37.0000
+ 2.0 2 f_ cp_ *3 120.0000 99.0000
+ 2.0 2 si_ cp_ *1 120.0000 34.6000
+ 2.0 2 * cp_ * 120.0000 65.0000
+ 2.0 2 c_ c=_ *7 120.0000 36.2000
+ 2.0 2 n_ c=_ *6 120.0000 90.0000
+ 2.0 2 o_ c=_ *5 120.0000 68.0000
+ 2.0 2 o'_ c=_ *5 120.0000 68.0000
+ 2.0 2 s'_ c=_ *4 120.0000 40.0000
+ 2.0 2 s_ c=_ *4 120.0000 40.0000
+ 2.0 2 h_ c=_ *2 120.0000 37.5000
+ 2.0 2 f_ c=_ *3 120.0000 96.0000
+ 2.0 2 si_ c=_ *1 120.0000 34.6000
+ 2.0 2 * c=_ * 120.0000 60.0000
+ 2.0 2 * ct_ * 180.0000 200.0000
+ 2.0 6 * ct2_ * 180.0000 200.0000
+ 2.0 2 c_ na_ *9 109.0000 80.0000
+ 2.0 2 n_ na_ *8 109.0000 80.0000
+ 2.0 2 o_ na_ *7 109.0000 80.0000
+ 2.0 2 o'_ na_ *6 114.0000 80.0000
+ 2.0 2 s_ na_ *5 109.0000 80.0000
+ 2.0 2 s'_ na_ *4 114.0000 80.0000
+ 2.0 2 f_ na_ *2 109.0000 80.0000
+ 2.0 2 h_ na_ *3 110.0000 41.6000
+ 2.0 2 si_ na_ *1 109.0000 41.6000
+ 2.0 2 * na_ * 109.0000 80.0000
+ 2.0 2 c_ n_ *9 120.0000 50.0000
+ 2.0 2 n_ n_ *8 120.0000 50.0000
+ 2.0 2 o_ n_ *7 120.0000 50.0000
+ 2.0 2 o'_ n_ *6 120.0000 80.0000
+ 2.0 2 s_ n_ *5 120.0000 50.0000
+ 2.0 2 s'_ n_ *4 120.0000 70.0000
+ 2.0 2 f_ n_ *2 120.0000 50.0000
+ 2.0 2 h_ n_ *3 122.0000 35.0000
+ 2.0 2 si_ n_ *1 120.0000 35.0000
+ 2.0 2 * n_ * 120.0000 50.0000
+ 2.0 2 c_ np_ *7 120.0000 75.0000
+ 2.0 2 n_ np_ *6 120.0000 75.0000
+ 2.0 2 o_ np_ *5 120.0000 75.0000
+ 2.0 2 o'_ np_ *5 120.0000 75.0000
+ 2.0 2 s_ np_ *4 120.0000 75.0000
+ 2.0 2 s'_ np_ *4 120.0000 75.0000
+ 2.0 2 f_ np_ *2 120.0000 75.0000
+ 2.0 2 h_ np_ *3 120.0000 27.5000
+ 2.0 2 si_ np_ *1 120.0000 27.5000
+ 2.0 2 * np_ * 120.0000 75.0000
+ 2.0 2 * nt_ * 180.0 50.0
+ 2.0 2 c_ o_ *7 109.5000 60.0000
+ 2.0 2 n_ o_ *6 120.0000 72.0000
+ 2.0 2 o_ o_ *5 109.5000 60.0000
+ 2.0 2 o'_ o_ *5 109.5000 60.0000
+ 2.0 2 s_ o_ *4 109.5000 60.0000
+ 2.0 2 s'_ o_ *4 109.5000 60.0000
+ 2.0 2 h_ o_ *2 109.0000 58.5000
+ 2.0 2 h_ o*_ h_ 104.5000 50.0000
+ 2.0 2 f_ o_ *3 109.5000 60.0000
+ 2.0 2 si_ o_ *1 124.1000 56.4000
+ 2.0 2 si_ o_ si 149.8000 31.1000
+ 2.0 2 * o_ * 109.5000 60.0000
+ 2.0 2 c_ s_ *7 102.0000 58.0000
+ 2.0 2 n_ s_ *6 113.1000 42.3000
+ 2.0 2 o_ s_ *5 113.1000 42.3000
+ 2.0 2 o'_ s_ *5 113.1000 42.3000
+ 2.0 2 s_ s_ *4 103.5000 75.0000
+ 2.0 2 s'_ s_ *4 109.5000 75.0000
+ 2.0 2 h_ s_ *2 112.0000 31.8000
+ 2.0 2 f_ s_ *3 109.5000 75.0000
+ 2.0 2 si_ s_ *1 109.5000 48.0000
+ 2.0 2 * s_ * 109.5000 50.0000
+ 2.0 2 c_ sp_ *7 92.5670 126.5060
+ 2.0 2 n_ sp_ *6 92.5670 126.5060
+ 2.0 2 o_ sp_ *5 92.5670 126.5060
+ 2.0 2 o'_ sp_ *5 92.5670 126.5060
+ 2.0 2 s_ sp_ *4 92.5670 126.5060
+ 2.0 2 s'_ sp_ *4 92.5670 126.5060
+ 2.0 2 h_ sp_ *2 96.0000 48.0000
+ 2.0 2 f_ sp_ *3 92.5670 126.5060
+ 2.0 2 si_ sp_ *1 96.0000 48.0000
+ 2.0 2 * sp_ * 92.5670 120.0000
+ 2.0 2 c_ p_ *9 109.5000 45.0000
+ 2.0 2 n_ p_ *8 109.5000 45.0000
+ 2.0 2 o_ p_ *7 109.5000 45.0000
+ 2.0 2 o'_ p_ *6 120.0000 110.0000
+ 2.0 2 s_ p_ *5 109.5000 45.0000
+ 2.0 2 s'_ p_ *4 120.0000 100.0000
+ 2.0 2 h_ p_ *2 109.5000 45.0000
+ 2.0 2 f_ p_ *3 109.5000 45.0000
+ 2.0 2 si_ p_ *1 109.5000 30.0000
+ 2.0 2 * p_ * 109.5000 45.0000
+ 2.0 2 c_ si_ *7 113.5000 44.4000
+ 2.0 2 n_ si_ *6 113.5000 44.4000
+ 2.0 2 o_ si_ *5 113.1000 42.3000
+ 2.0 2 s_ si_ *4 113.1000 42.3000
+ 2.0 2 h_ si_ *2 112.0000 31.8000
+ 2.0 2 f_ si_ *3 117.3000 44.1000
+ 2.0 2 si_ si_ *1 113.4000 33.3000
+ 2.0 2 * si_ * 113.5000 44.4000
+
+
+
+#torsion_1 cff91_auto
+
+> E = Kphi * [ 1 + cos(n*Phi - Phi0) ]
+
+!Ver Ref I J K L Kphi n Phi0
+!---- --- ---- ---- ---- ---- ------- ------ -------
+ 2.0 2 * c_ n3n_ * 0.0500 3 0.
+ 2.0 2 * c'_ n3n_ * 0.7000 2 180.
+ 2.0 2 * cp_ n3n_ * 0.5000 2 180.
+ 2.0 2 * c=_ n3n_ * 0.5000 2 180.
+ 2.0 3 * c=_1 n3n_ * 0.7000 2 180.
+ 2.0 3 * c=_2 n3n_ * 0.7000 2 180.
+ 2.0 3 * c=_3 n3n_ * 0.7000 2 180.
+ 2.0 2 * ct_ n3n_ * 0.0000 0 0.
+ 2.0 2 * na_ n3n_ * 0.0000 0 0.
+ 2.0 2 * n_ n3n_ * 0.0500 2 180.
+ 2.0 2 * n3n_ n3n_ * 0.0500 2 180.
+ 2.0 2 * np_ n3n_ * 0.0500 2 180.
+ 2.0 2 * n=_ n3n_ * 0.0500 2 180.
+ 2.0 3 * n=_1 n3n_ * 0.0500 2 180.
+ 2.0 3 * n=_2 n3n_ * 0.0500 2 180.
+ 2.0 3 * n=_3 n3n_ * 0.0500 2 180.
+ 2.0 2 * o_ n3n_ * 0.3000 3 0.
+ 2.0 2 * s_ n3n_ * 0.3000 2 0.
+ 2.0 2 * si_ n3n_ * 0.0500 3 0.
+ 2.0 2 * c_ c_ * 0.1580 3 0.
+ 2.0 2 * c_ c'_ * 0.0000 0 0.
+ 2.0 2 * c_ cp_ * 0.0000 0 0.
+ 2.0 2 * c_ c=_ * 0.2110 3 0.
+ 2.0 3 * c_ c=_1 * 0.2110 3 0.
+ 2.0 3 * c_ c=_2 * 0.2110 3 0.
+ 2.0 3 * c_ c=_3 * 0.2110 3 0.
+ 2.0 2 * c_ ct_ * 0.0000 0 0.
+ 2.0 2 * c_ na_ * 0.0500 3 0.
+ 2.0 2 * c_ n_ * 0.0000 0 0.
+ 2.0 2 * c_ np_ * 0.0000 0 0.
+ 2.0 2 * c_ n=_ * 0.0000 0 0.
+ 2.0 3 * c_ n=_1 * 0.0000 0 0.
+ 2.0 3 * c_ n=_2 * 0.0000 0 0.
+ 2.0 3 * c_ n=_3 * 0.0000 0 0.
+ 2.0 2 * c_ o_ * 0.1300 3 0.
+ 2.0 2 * c_ s_ * 0.1367 3 0.
+ 2.0 2 * c_ p_ * 0.0000 0 0.
+ 2.0 2 * c_ si_ * 0.1111 3 0.
+ 2.0 2 * c'_ c'_ * 0.4500 2 180.
+ 2.0 2 * c'_ cp_ * 2.5000 2 180.
+ 2.0 2 * c'_ c=_ * 0.4500 2 180.
+ 2.0 3 * c'_ c=_1 * 0.4500 2 180.
+ 2.0 3 * c'_ c=_2 * 0.4500 2 180.
+ 2.0 3 * c'_ c=_3 * 0.4500 2 180.
+ 2.0 2 * c'_ ct_ * 0.0000 0 0.
+ 2.0 2 * c'_ n_ * 3.2000 2 180.
+ 2.0 2 * c'_ n_ h_ 1.2000 2 180.
+ 2.0 2 * c'_ n=_ * 0.9000 2 180.
+ 2.0 3 * c'_ n=_1 * 0.9000 2 180.
+ 2.0 3 * c'_ n=_2 * 0.9000 2 180.
+ 2.0 3 * c'_ n=_3 * 0.9000 2 180.
+ 2.0 2 * c'_ np_ * 5.0000 2 180.
+ 2.0 2 * c'_ np_ h 1.0000 2 180.
+ 2.0 2 * c'_ o_ * 2.2500 2 180.
+ 2.0 2 * c'_ op_ * 2.2500 2 180.
+ 2.0 2 * c'_ s_ * 1.5000 2 180.
+ 2.0 2 * c'_ sp_ * 1.5000 2 180.
+ 2.0 2 * c'_ si_ * 0.0000 0 0.
+ 2.0 2 * cp_ cp_ * 3.0000 2 180.
+ 2.0 2 * cp_ c=_ * 0.5000 2 180.
+ 2.0 3 * cp_ c=_1 * 0.5000 2 180.
+ 2.0 3 * cp_ c=_2 * 0.5000 2 180.
+ 2.0 3 * cp_ c=_3 * 0.5000 2 180.
+ 2.0 2 * cp_ ct_ * 0.0000 0 0.
+ 2.0 2 * cp_ na_ * 2.2500 2 180.
+ 2.0 2 * cp_ n_ * 2.2500 2 180.
+ 2.0 2 * cp_ np_ * 2.0000 2 180.
+ 2.0 2 * cp_ np_ h_ 1.0000 2 180.
+ 2.0 2 * cp_ n=_ * 1.2500 2 180.
+ 2.0 3 * cp_ n=_1 * 1.2500 2 180.
+ 2.0 3 * cp_ n=_2 * 1.2500 2 180.
+ 2.0 3 * cp_ n=_3 * 1.2500 2 180.
+ 2.0 2 * cp_ o_ * 1.8000 2 180.
+ 2.0 2 * cp_ o_ h_ 0.7500 2 180.
+ 2.0 2 * cp_ op_ * 6.0000 2 180.
+ 2.0 2 * cp_ s_ * 1.5000 2 180.
+ 2.0 2 * cp_ sp_ * 6.0000 2 180.
+ 2.0 2 * cp_ si_ * 0.1667 3 0.
+ 2.0 2 * cp_ p_ * 0.2500 3 0.
+ 2.0 2 * c=_ c=_ * 4.0750 2 180.
+ 2.0 3 * c=_3 c=_3 * 4.0750 2 180.
+ 2.0 3 * c=_1 c=_3 * 4.0750 2 180.
+ 2.0 3 * c=_2 c=_2 * 3.0000 2 180.
+ 2.0 3 * c=_1 c=_1 * 0.6250 2 180.
+ 2.0 3 * c=_1 c=_2 * 0.6250 2 180.
+ 2.0 3 * c=_2 c=_3 * 0.6250 2 180.
+ 2.0 2 * c=_ ct_ * 0.0000 0 0.
+ 2.0 2 * c=_ na_ * 0.0000 0 0.
+ 2.0 2 * c=_ n_ * 1.2500 2 180.
+ 2.0 2 * c=_ np_ * 1.5000 2 180.
+ 2.0 2 * c=_ np_ h_ 0.7500 2 180.
+ 2.0 3 * c=_1 ct_ * 0.0000 0 0.
+ 2.0 3 * c=_1 na_ * 0.0000 0 0.
+ 2.0 3 * c=_1 n_ * 1.2500 2 180.
+ 2.0 3 * c=_1 np_ * 1.5000 2 180.
+ 2.0 3 * c=_1 np_ h_ 0.7500 2 180.
+ 2.0 3 * c=_2 ct_ * 0.0000 0 0.
+ 2.0 3 * c=_2 na_ * 0.0000 0 0.
+ 2.0 3 * c=_2 n_ * 1.2500 2 180.
+ 2.0 3 * c=_2 np_ * 1.5000 2 180.
+ 2.0 3 * c=_2 np_ h_ 0.7500 2 180.
+ 2.0 3 * c=_3 ct_ * 0.0000 0 0.
+ 2.0 3 * c=_3 na_ * 0.0000 0 0.
+ 2.0 3 * c=_3 n_ * 1.2500 2 180.
+ 2.0 3 * c=_3 np_ * 1.5000 2 180.
+ 2.0 3 * c=_3 np_ h_ 0.7500 2 180.
+ 2.0 2 * c=_ n=_ * 8.1500 2 180.
+ 2.0 3 * c=_3 n=_3 * 8.1500 2 180.
+ 2.0 3 * c=_1 n=_3 * 8.1500 2 180.
+ 2.0 3 * c=_3 n=_1 * 8.1500 2 180.
+ 2.0 3 * c=_2 n=_2 * 2.5000 2 180.
+ 2.0 3 * c=_1 n=_1 * 0.6250 2 180.
+ 2.0 3 * c=_1 n=_2 * 0.6250 2 180.
+ 2.0 3 * c=_2 n=_1 * 0.6250 2 180.
+ 2.0 3 * c=_2 n=_3 * 0.6250 2 180.
+ 2.0 3 * c=_3 n=_2 * 0.6250 2 180.
+ 2.0 2 * c=_ o_ * 0.9000 2 180.
+ 2.0 2 * c=_ op_ * 4.0000 2 180.
+ 2.0 2 * c=_ s_ * 1.5000 2 180.
+ 2.0 2 * c=_ sp_ * 6.0000 2 180.
+ 2.0 2 * c=_ si_ * 0.2110 3 0.
+ 2.0 2 * c=_ p_ * 1.2500 2 180.
+ 2.0 3 * c=_1 o_ * 0.9000 2 180.
+ 2.0 3 * c=_1 op_ * 4.0000 2 180.
+ 2.0 3 * c=_1 s_ * 1.5000 2 180.
+ 2.0 3 * c=_1 sp_ * 6.0000 2 180.
+ 2.0 3 * c=_1 si_ * 0.2110 3 0.
+ 2.0 3 * c=_1 p_ * 1.2500 2 180.
+ 2.0 3 * c=_2 o_ * 0.9000 2 180.
+ 2.0 3 * c=_2 op_ * 4.0000 2 180.
+ 2.0 3 * c=_2 s_ * 1.5000 2 180.
+ 2.0 3 * c=_2 sp_ * 6.0000 2 180.
+ 2.0 3 * c=_2 si_ * 0.2110 3 0.
+ 2.0 3 * c=_2 p_ * 1.2500 2 180.
+ 2.0 3 * c=_3 o_ * 0.9000 2 180.
+ 2.0 3 * c=_3 op_ * 4.0000 2 180.
+ 2.0 3 * c=_3 s_ * 1.5000 2 180.
+ 2.0 3 * c=_3 sp_ * 6.0000 2 180.
+ 2.0 3 * c=_3 si_ * 0.2110 3 0.
+ 2.0 3 * c=_3 p_ * 1.2500 2 180.
+ 2.0 2 * c+_ n_ * 3.4000 2 180.
+ 2.0 2 * ct_ ct_ * 0.0000 0 0.
+ 2.0 2 * ct_ na_ * 0.0000 0 0.
+ 2.0 2 * ct_ n_ * 0.0000 0 0.
+ 2.0 2 * ct_ np_ * 0.0000 0 0.
+ 2.0 2 * ct_ o_ * 0.0000 0 0.
+ 2.0 2 * ct_ s_ * 0.0000 0 0.
+ 2.0 2 * ct_ si_ * 0.0000 0 0.
+ 2.0 2 * na_ na_ * 0.2500 3 0.
+ 2.0 2 * na_ n_ * 0.0000 0 0.
+ 2.0 2 * na_ np_ * 0.0000 0 0.
+ 2.0 2 * na_ n=_ * 0.0000 0 0.
+ 2.0 3 * na_ n=_1 * 0.0000 0 0.
+ 2.0 3 * na_ n=_2 * 0.0000 0 0.
+ 2.0 3 * na_ n=_3 * 0.0000 0 0.
+ 2.0 2 * na_ o_ * 0.0975 3 0.
+ 2.0 2 * na_ s_ * 0.0975 3 0.
+ 2.0 2 * na_ si_ * 0.0667 3 0.
+ 2.0 2 * n_ n_ * 0.3750 2 180.
+ 2.0 2 * n_ np_ * 0.7500 2 180.
+ 2.0 2 * n_ np_ h_ 0.3750 2 180.
+ 2.0 2 * n_ n=_ * 0.7500 2 180.
+ 2.0 3 * n_ n=_1 * 0.7500 2 180.
+ 2.0 3 * n_ n=_2 * 0.7500 2 180.
+ 2.0 3 * n_ n=_3 * 0.7500 2 180.
+ 2.0 2 * n_ o_ * 0.5000 2 180.
+ 2.0 2 * n_ s_ * 0.5000 2 180.
+ 2.0 2 * n_ si_ * 0.0000 0 0.
+ 2.0 2 * np_ n=_ * 1.5000 2 180.
+ 2.0 3 * np_ n=_1 * 1.5000 2 180.
+ 2.0 3 * np_ n=_2 * 1.5000 2 180.
+ 2.0 3 * np_ n=_3 * 1.5000 2 180.
+ 2.0 2 * np_ np_ * 11.0000 2 180.
+ 2.0 2 * np_ o_ * 1.0000 2 180.
+ 2.0 2 * np_ op_ * 11.0000 2 180.
+ 2.0 2 * np_ s_ * 1.0000 2 180.
+ 2.0 2 * np_ sp_ * 10.0000 2 180.
+ 2.0 2 * np_ si_ * 0.2500 2 180.
+ 2.0 2 h_ np_ n=_ * 0.7500 2 180.
+ 2.0 3 h_ np_ n=_1 * 0.7500 2 180.
+ 2.0 3 h_ np_ n=_2 * 0.7500 2 180.
+ 2.0 3 h_ np_ n=_3 * 0.7500 2 180.
+ 2.0 2 h_ np_ np_ * 5.5000 2 180.
+ 2.0 2 h_ np_ o_ * 0.5000 2 180.
+ 2.0 2 h_ np_ op_ * 5.50000 2 180.
+ 2.0 2 h_ np_ s_ * 0.5000 2 180.
+ 2.0 2 h_ np_ sp_ * 5.5000 2 180.
+ 2.0 2 h_ np_ si_ * 0.1250 2 180.
+ 2.0 2 * n=_ n=_ * 15.0000 2 180.
+ 2.0 3 * n=_3 n=_3 * 15.0000 2 180.
+ 2.0 3 * n=_1 n=_3 * 15.0000 2 180.
+ 2.0 3 * n=_2 n=_2 * 7.5000 2 180.
+ 2.0 3 * n=_1 n=_1 * 1.5000 2 180.
+ 2.0 3 * n=_1 n=_2 * 1.5000 2 180.
+ 2.0 3 * n=_2 n=_3 * 1.5000 2 180.
+ 2.0 2 * n=_ o_ * 0.7000 2 180.
+ 2.0 2 * n=_ s_ * 0.7000 2 180.
+ 2.0 2 * n=_ si_ * 0.2333 2 180.
+ 2.0 3 * n=_1 o_ * 0.7000 2 180.
+ 2.0 3 * n=_1 s_ * 0.7000 2 180.
+ 2.0 3 * n=_1 si_ * 0.2333 2 180.
+ 2.0 3 * n=_2 o_ * 0.7000 2 180.
+ 2.0 3 * n=_2 s_ * 0.7000 2 180.
+ 2.0 3 * n=_2 si_ * 0.2333 2 180.
+ 2.0 3 * n=_3 o_ * 0.7000 2 180.
+ 2.0 3 * n=_3 s_ * 0.7000 2 180.
+ 2.0 3 * n=_3 si_ * 0.2333 2 180.
+ 2.0 8 * o_ o_ * 5.0000 2 0.
+ 2.0 8 * o_ s_ * 5.0000 2 0.
+ 2.0 2 * o_ si_ * 0.3333 3 0.
+ 2.0 2 * o_ p_ * 0.3750 3 0.
+ 2.0 2 * s_ s_ * 5.5000 2 0.
+ 2.0 2 * s_ si_ * 0.2333 3 0.
+ 2.0 2 * s_ p_ * 0.3750 3 0.
+ 2.0 2 * si_ si_ * 0.1667 3 0.
+ 2.0 2 * si_ p_ * 0.0000 3 0.
+
+
+
+
+
+
+
+#wilson_out_of_plane cff91_auto
+
+> E = K * (Chi - Chi0)^2
+
+!Ver Ref I J K L K Chi0
+!---- --- ---- ---- ---- ---- ------- ----
+ 2.0 1 * c'_ * * 36.0000 0.0
+ 2.0 1 * cp_ * * 10.0000 0.0
+ 2.0 1 * c=_ * * 2.0568 0.0
+ 2.0 1 * c+_ * * 54.4060 0.0
+ 2.0 1 * na_ * * 0.0000 0.0
+ 2.0 1 * n_ * * 0.1000 0.0
+ 2.0 1 * np_ * * 5.5000 0.0
+ 2.0 1 * n=_ * * 0.5000 0.0
+ 2.0 1 * nr_ * * 1.0035 0.0
+ 2.0 1 * o_ * * 0.0000 0.0
+ 2.0 1 * s_ * * 0.0000 0.0
+ 2.0 1 * p_ * * 0.0000 0.0
+
+
+
+
+#nonbond(9-6) cff91
+
+> E = eps(ij) [2(r(ij)*/r(ij))**9 - 3(r(ij)*/r(ij))**6]
+> where r(ij)* = [(r(i)**6 + r(j)**6))/2]**(1/6)
+>
+> eps(ij) = 2 sqrt(eps(i) * eps(j)) *
+> r(i)^3 * r(j)^3/[r(i)^6 + r(j)^6]
+
+@combination sixth-power
+@type r-eps
+
+!Ver Ref I r eps
+!---- --- ---- --------- ---------
+ 2.0 1 c 4.0100 0.0540
+ 2.0 4 c* 3.3080 0.1200
+ 2.0 1 c' 3.3080 0.1200
+ 2.0 1 cp 4.0100 0.0640
+ 2.0 1 c= 4.0100 0.0640
+ 2.0 3 c=1 4.0100 0.0640
+ 2.0 3 c=2 4.0100 0.0640
+ 2.0 1 c- 3.9080 0.1200
+ 2.0 1 c+ 3.3080 0.1200
+ 2.0 1 cr 3.3080 0.1200
+ 2.0 1 na 4.0700 0.0650
+ 2.0 1 n 4.0700 0.1060
+ 2.0 1 nr 4.0700 0.1060
+ 2.0 1 np 3.5700 0.0410
+ 2.0 1 nh 4.0700 0.1340
+ 2.0 1 nn 4.0700 0.0650
+ 2.0 1 n= 4.1210 0.0620
+ 2.0 3 n=1 4.1210 0.0620
+ 2.0 3 n=2 4.1210 0.0620
+ 2.0 1 n+ 3.2620 0.0650
+ 2.0 1 o 3.5350 0.2400
+ 2.0 1 o* 3.6080 0.2740
+ 2.0 1 o' 3.5350 0.2670
+ 2.0 1 op 3.5350 0.1090
+ 2.0 1 o- 3.5960 0.1670
+ 2.0 1 s 4.0270 0.0710
+ 2.0 1 sp 4.0270 0.0710
+ 2.0 1 h 2.9950 0.0200
+ 2.0 1 h* 1.0980 0.0130
+ 2.0 1 h+ 1.0980 0.0130
+ 2.0 2 p 4.2950 0.2150
+ 2.0 2 f 3.2850 0.3050
+ 2.0 2 cl 3.9150 0.3050
+ 2.0 2 Cl 4.0000 0.4000
+ 2.0 2 br 4.2150 0.3050
+ 2.0 2 Br 4.3000 0.3600
+ 2.0 2 i 4.8000 0.4000
+ 2.0 2 si 4.4350 0.0950
+ 2.0 2 Na 3.1440 0.5000
+ 2.0 2 ca+ 3.4720 0.0500
+
+#bond_increments cff91
+
+!Ver Ref I J DeltaIJ DeltaJI
+!---- --- ---- ---- ------- -------
+ 1.0 1 c c 0.0000 0.0000
+ 1.0 4 c* c 0.0000 0.0000
+ 1.0 1 c' c 0.0000 0.0000
+ 1.0 1 cp c 0.0000 0.0000
+ 1.0 1 c= c 0.0000 0.0000
+ 2.0 3 c=1 c 0.0000 0.0000
+ 2.0 3 c=2 c 0.0000 0.0000
+ 1.0 1 cr c 0.0000 0.0000
+ 1.0 1 c- c 0.2300 -0.2300
+ 1.0 1 ct c -0.0400 0.0400
+ 2.0 6 ct2 c -0.0400 0.0400
+ 1.0 1 na c -0.0827 0.0827
+ 1.0 1 n c -0.2108 0.2108
+ 1.0 2 nn c -0.2108 0.2108
+ 1.0 1 nr c -0.4802 0.4802
+ 1.0 2 np c -0.1100 0.1100
+ 1.0 2 nh c -0.0610 0.0610
+ 1.0 1 n= c -0.3000 0.3000
+ 2.0 3 n=1 c -0.3000 0.3000
+ 2.0 3 n=2 c -0.3000 0.3000
+ 1.0 1 n+ c -0.1571 0.4071
+ 1.0 2 nt c -0.3640 0.3640
+ 1.0 1 o c -0.1133 0.1133
+ 2.0 2 op c -0.3957 0.3957
+ 1.0 1 s c -0.0650 0.0650
+ 2.0 2 s' c -0.1180 0.1180
+ 2.0 2 sp c -0.1180 0.1180
+ 1.0 1 h c 0.0530 -0.0530
+ 2.0 2 p c -0.0110 0.0110
+ 2.0 2 f c -0.2750 0.2750
+ 2.0 2 cl c -0.2260 0.2260
+ 2.0 2 br c -0.1920 0.1920
+ 2.0 2 i c -0.1120 0.1120
+ 2.0 2 si c 0.1767 -0.1767
+ 2.0 2 c' c' 0.0000 0.0000
+ 2.0 4 c* c' 0.0000 0.0000
+ 2.0 4 c* c* 0.0000 0.0000
+ 2.0 2 cp c' 0.0000 0.0000
+ 2.0 2 c= c' 0.0000 0.0000
+ 2.0 3 c=1 c' 0.0000 0.0000
+ 2.0 3 c=2 c' 0.0000 0.0000
+ 2.0 2 c- c' 0.1368 -0.1368
+ 2.0 2 ct c' 0.0927 -0.0927
+ 2.0 6 ct2 c' 0.0927 -0.0927
+ 1.0 1 n c' 0.0000 0.0000
+ 2.0 2 nn c' -0.0362 0.0362
+ 2.0 2 np c' -0.0362 0.0362
+ 2.0 2 nh c' 0.1422 -0.1422
+ 2.0 2 n= c' -0.0362 0.0362
+ 2.0 3 n=1 c' -0.0362 0.0362
+ 2.0 3 n=2 c' -0.0362 0.0362
+ 2.0 2 n+ c' 0.1169 0.1331
+ 2.0 2 nt c' -0.1641 0.1641
+ 2.0 4 cp c* 0.0000 0.0000
+ 2.0 4 c= c* 0.0000 0.0000
+ 2.0 4 c=1 c* 0.0000 0.0000
+ 2.0 4 c=2 c* 0.0000 0.0000
+ 2.0 4 c- c* 0.1368 -0.1368
+ 2.0 4 ct c* 0.0927 -0.0927
+ 2.0 6 ct2 c* 0.0927 -0.0927
+ 1.0 4 n c* 0.0000 0.0000
+ 2.0 4 nn c* -0.0362 0.0362
+ 2.0 4 np c* -0.0362 0.0362
+ 2.0 4 nh c* 0.1422 -0.1422
+ 2.0 4 n= c* -0.0362 0.0362
+ 2.0 4 n=1 c* -0.0362 0.0362
+ 2.0 4 n=2 c* -0.0362 0.0362
+ 2.0 4 n+ c* 0.1169 0.1331
+ 2.0 4 nt c* -0.1641 0.1641
+ 1.0 1 o c' -0.0030 0.0030
+ 1.0 4 o c* -0.0030 0.0030
+ 1.0 1 o' c' -0.3964 0.3964
+ 1.0 4 o' c* -0.3964 0.3964
+ 1.0 1 op c' -0.0283 0.0283
+ 1.0 1 sp c' 0.0130 -0.0130
+ 2.0 2 s c' 0.0140 -0.0140
+ 2.0 2 s' c' 0.0000 0.0000
+ 1.0 4 op c* -0.0283 0.0283
+ 1.0 4 sp c* 0.0130 -0.0130
+ 2.0 4 s c* 0.0140 -0.0140
+ 2.0 4 s' c* 0.0000 0.0000
+ 1.0 1 h c' 0.0456 -0.0456
+ 1.0 4 h c* 0.0456 -0.0456
+ 2.0 2 p c' 0.2396 -0.2396
+ 2.0 2 f c' -0.1300 0.1300
+ 2.0 2 cl c' -0.1020 0.1020
+ 2.0 2 br c' -0.0800 0.0800
+ 2.0 2 i c' 0.1291 -0.1291
+ 2.0 2 si c' 0.4405 -0.4405
+ 2.0 4 p c* 0.2396 -0.2396
+ 2.0 4 f c* -0.1300 0.1300
+ 2.0 4 cl c* -0.1020 0.1020
+ 2.0 4 br c* -0.0800 0.0800
+ 2.0 4 i c* 0.1291 -0.1291
+ 2.0 4 si c* 0.4405 -0.4405
+ 1.0 1 cp cp 0.0000 0.0000
+ 2.0 2 c= cp 0.0000 0.0000
+ 2.0 3 c=1 cp 0.0000 0.0000
+ 2.0 3 c=2 cp 0.0000 0.0000
+ 2.0 2 c- cp -0.0424 0.0424
+ 2.0 2 ct cp -0.0852 0.0852
+ 2.0 6 ct2 cp -0.0852 0.0852
+ 1.0 1 na cp 0.0000 0.0000
+ 1.0 1 n cp 0.0000 0.0000
+ 2.0 2 n+ cp -0.0489 0.2989
+ 1.0 1 nn cp -0.0827 0.0827
+ 1.0 1 np cp -0.2405 0.2405
+ 1.0 1 nh cp 0.0500 -0.0500
+ 2.0 2 n= cp -0.1993 0.1993
+ 2.0 3 n=1 cp -0.1993 0.1993
+ 2.0 3 n=2 cp -0.1993 0.1993
+ 1.0 1 o cp -0.0265 0.0265
+ 2.0 2 o' cp -0.3964 0.3964
+ 1.0 1 op cp -0.0283 0.0283
+ 1.0 1 sp cp 0.0130 -0.0130
+ 2.0 2 s cp 0.0120 -0.0120
+ 2.0 2 s' cp -0.0732 0.0732
+ 1.0 1 h cp 0.1268 -0.1268
+ 1.0 2 p cp 0.0380 -0.0380
+ 2.0 2 f cp -0.1300 0.1300
+ 2.0 2 cl cp -0.1020 0.1020
+ 2.0 2 br cp -0.0800 0.0800
+ 2.0 2 i cp -0.0642 0.0642
+ 2.0 2 si cp 0.2270 -0.2270
+ 2.0 1 c= c= 0.0000 0.0000
+ 2.0 3 c=1 c= 0.0000 0.0000
+ 2.0 3 c=2 c= 0.0000 0.0000
+ 2.0 3 c=1 c=1 0.0000 0.0000
+ 2.0 3 c=1 c=2 0.0000 0.0000
+ 2.0 3 c=2 c=2 0.0000 0.0000
+ 2.0 2 ct c= -0.0852 0.0852
+ 2.0 6 ct2 c= -0.0852 0.0852
+ 1.0 1 na c= 0.0000 0.0000
+ 1.0 1 n c= 0.0000 0.0000
+ 2.0 2 nn c= 0.0000 0.0000
+ 2.0 2 n+ c= -0.0489 0.2989
+ 1.0 1 np c= 0.0000 0.0000
+ 1.0 1 nh c= 0.0000 0.0000
+ 2.0 2 n= c= -0.3000 0.3000
+ 2.0 2 n=1 c= -0.3000 0.3000
+ 2.0 2 n=2 c= -0.3000 0.3000
+ 2.0 3 n= c=1 -0.3000 0.3000
+ 2.0 3 n=1 c=1 -0.3000 0.3000
+ 2.0 3 n=2 c=1 -0.3000 0.3000
+ 2.0 3 n= c=2 -0.3000 0.3000
+ 2.0 3 n=1 c=2 -0.3000 0.3000
+ 2.0 3 n=2 c=2 -0.3000 0.3000
+ 1.0 1 o c= -0.0265 0.0265
+ 2.0 2 op c= -0.3583 0.3583
+ 2.0 2 o' c= -0.3583 0.3583
+ 2.0 2 s c= 0.0120 -0.0120
+ 2.0 2 sp c= -0.0732 0.0732
+ 2.0 2 s' c= -0.0732 0.0732
+ 1.0 1 h c= 0.1268 -0.1268
+ 2.0 2 p c= 0.0380 -0.0380
+ 2.0 2 f c= -0.1300 0.1300
+ 2.0 2 cl c= -0.1020 0.1020
+ 2.0 2 br c= -0.0800 0.0800
+ 2.0 2 i c= -0.0642 0.0642
+ 2.0 2 si c= 0.2270 -0.2270
+ 2.0 3 ct c=1 -0.0852 0.0852
+ 2.0 6 ct2 c=1 -0.0852 0.0852
+ 2.0 3 na c=1 0.0000 0.0000
+ 2.0 3 n c=1 0.0000 0.0000
+ 2.0 3 nn c=1 0.0000 0.0000
+ 2.0 3 n+ c=1 -0.0489 0.2989
+ 2.0 3 np c=1 0.0000 0.0000
+ 2.0 3 nh c=1 0.0000 0.0000
+ 2.0 3 o c=1 -0.0265 0.0265
+ 2.0 3 op c=1 -0.3583 0.3583
+ 2.0 3 o' c=1 -0.3583 0.3583
+ 2.0 3 s c=1 0.0120 -0.0120
+ 2.0 3 sp c=1 -0.0732 0.0732
+ 2.0 3 s' c=1 -0.0732 0.0732
+ 2.0 3 h c=1 0.1268 -0.1268
+ 2.0 3 p c=1 0.0380 -0.0380
+ 2.0 3 f c=1 -0.1300 0.1300
+ 2.0 3 cl c=1 -0.1020 0.1020
+ 2.0 3 br c=1 -0.0800 0.0800
+ 2.0 3 i c=1 -0.0642 0.0642
+ 2.0 3 si c=1 0.2270 -0.2270
+ 2.0 3 ct c=2 -0.0852 0.0852
+ 2.0 6 ct2 c=2 -0.0852 0.0852
+ 1.0 3 na c=2 0.0000 0.0000
+ 2.0 3 n c=2 0.0000 0.0000
+ 2.0 3 nn c=2 0.0000 0.0000
+ 2.0 3 n+ c=2 -0.0489 0.2989
+ 2.0 3 np c=2 0.0000 0.0000
+ 2.0 3 nh c=2 0.0000 0.0000
+ 2.0 3 o c=2 -0.0265 0.0265
+ 2.0 3 op c=2 -0.3583 0.3583
+ 2.0 3 o' c=2 -0.3583 0.3583
+ 2.0 3 s c=2 0.0120 -0.0120
+ 2.0 3 sp c=2 -0.0732 0.0732
+ 2.0 3 s' c=2 -0.0732 0.0732
+ 2.0 3 h c=2 0.1268 -0.1268
+ 2.0 3 p c=2 0.0380 -0.0380
+ 2.0 3 f c=2 -0.1300 0.1300
+ 2.0 3 cl c=2 -0.1020 0.1020
+ 2.0 3 br c=2 -0.0800 0.0800
+ 2.0 3 i c=2 -0.0642 0.0642
+ 2.0 3 si c=2 0.2270 -0.2270
+ 1.0 1 n= cr -0.4000 0.4000
+ 2.0 3 n=1 cr -0.4000 0.4000
+ 2.0 3 n=2 cr -0.4000 0.4000
+ 2.0 2 nr cr -0.0000 0.0000
+ 1.0 1 o- c- -0.5337 0.0337
+ 1.0 1 h c- 0.0530 -0.0530
+ 2.0 2 c- c- 0.0000 0.0000
+ 2.0 2 ct c- -0.0432 0.0432
+ 2.0 6 ct2 c- -0.0432 0.0432
+ 2.0 2 n c- -0.1607 0.1607
+ 2.0 2 n+ c- -0.0097 0.2597
+ 2.0 2 nn c- -0.1607 0.1607
+ 2.0 2 np c- -0.1607 0.1607
+ 2.0 2 n= c- -0.1607 0.1607
+ 2.0 3 n=1 c- -0.1607 0.1607
+ 2.0 3 n=2 c- -0.1607 0.1607
+ 2.0 2 nh c- 0.0176 -0.0176
+ 2.0 2 o c- -0.1012 0.1012
+ 2.0 2 op c- -0.3241 0.3241
+ 2.0 2 o' c- -0.3241 0.3241
+ 2.0 2 s c- 0.0087 -0.0087
+ 2.0 2 s- c- -0.3777 -0.1223
+ 2.0 2 p c- 0.0857 -0.0857
+ 2.0 2 f c- -0.2241 0.2241
+ 2.0 2 cl c- -0.0747 0.0747
+ 2.0 2 br c- -0.0281 0.0281
+ 2.0 2 i c- -0.0185 0.0185
+ 2.0 2 si c- 0.2775 -0.2775
+ 1.0 1 nr c+ 0.0680 0.2653
+ 1.0 1 ct ct 0.0000 0.0000
+ 1.0 6 ct2 ct2 0.0000 0.0000
+ 2.0 2 na ct 0.0636 -0.0636
+ 2.0 2 n ct -0.1204 0.1204
+ 2.0 2 nn ct -0.0920 0.0920
+ 2.0 2 n+ ct 0.1508 0.0992
+ 2.0 2 nt ct -0.2454 0.2454
+ 2.0 2 np ct -0.1204 0.1204
+ 2.0 2 nh ct 0.0568 -0.0568
+ 2.0 2 n= ct -0.1204 0.1204
+ 2.0 3 n=1 ct -0.1204 0.1204
+ 2.0 3 n=2 ct -0.1204 0.1204
+ 2.0 2 o ct -0.0675 0.0675
+ 2.0 2 op ct -0.2874 0.2874
+ 2.0 2 o' ct -0.2874 0.2874
+ 2.0 2 s ct 0.0581 -0.0581
+ 2.0 2 sp ct 0.0135 -0.0135
+ 2.0 2 s' ct 0.0135 -0.0135
+ 2.0 2 p ct 0.1335 -0.1335
+ 2.0 2 h ct 0.2052 -0.2052
+ 2.0 2 f ct -0.1873 0.1873
+ 2.0 2 cl ct -0.0319 0.0319
+ 2.0 2 br ct 0.0173 -0.0173
+ 2.0 2 i ct 0.0281 -0.0281
+ 2.0 6 na ct2 0.0636 -0.0636
+ 2.0 6 n ct2 -0.1204 0.1204
+ 2.0 6 nn ct2 -0.0920 0.0920
+ 2.0 6 n+ ct2 0.1508 0.0992
+ 2.0 2 nt ct2 -0.2454 0.2454
+ 2.0 6 np ct2 -0.1204 0.1204
+ 2.0 6 nh ct2 0.0568 -0.0568
+ 2.0 6 n= ct2 -0.1204 0.1204
+ 2.0 6 n=1 ct2 -0.1204 0.1204
+ 2.0 6 n=2 ct2 -0.1204 0.1204
+ 2.0 6 o ct2 -0.0675 0.0675
+ 2.0 6 op ct2 -0.2874 0.2874
+ 2.0 6 o' ct2 -0.2874 0.2874
+ 2.0 6 s ct2 0.0581 -0.0581
+ 2.0 6 sp ct2 0.0135 -0.0135
+ 2.0 6 s' ct2 0.0135 -0.0135
+ 2.0 6 p ct2 0.1335 -0.1335
+ 2.0 6 h ct2 0.2052 -0.2052
+ 2.0 6 f ct2 -0.1873 0.1873
+ 2.0 6 cl ct2 -0.0319 0.0319
+ 2.0 6 br ct2 0.0173 -0.0173
+ 2.0 6 i ct2 0.0281 -0.0281
+ 2.0 6 si ct2 0.3266 -0.3266
+ 2.0 2 na na 0.0000 0.0000
+ 2.0 2 n na -0.0742 0.0742
+ 2.0 2 nn na -0.0371 0.0371
+ 2.0 2 np na -0.0742 0.0742
+ 2.0 2 nh na 0.0919 -0.0919
+ 2.0 2 n+ na 0.0850 0.1650
+ 2.0 2 nt na -0.1927 0.1927
+ 2.0 2 n= na -0.0742 0.0742
+ 2.0 3 n=1 na -0.0742 0.0742
+ 2.0 3 n=2 na -0.0742 0.0742
+ 2.0 2 o na -0.0254 0.0254
+ 2.0 2 op na -0.2369 0.2369
+ 2.0 2 o' na -0.2369 0.2369
+ 2.0 2 s na 0.0966 -0.0966
+ 2.0 2 sp na 0.0551 -0.0551
+ 2.0 2 s' na 0.0551 -0.0551
+ 2.0 2 p na 0.2518 -0.2518
+ 2.0 2 f na -0.1415 0.1415
+ 2.0 2 cl na 0.0117 -0.0117
+ 2.0 2 br na 0.0601 -0.0601
+ 2.0 2 i na 0.0714 -0.0714
+ 2.0 2 si na 0.3501 -0.3501
+ 1.0 1 h* na 0.2487 -0.2487
+ 2.0 2 n n 0.0000 0.0000
+ 2.0 2 nn n 0.0000 0.0000
+ 2.0 2 np n 0.0000 0.0000
+ 2.0 2 nh n 0.1637 -0.1637
+ 2.0 2 n= n 0.0000 0.0000
+ 2.0 3 n=1 n 0.0000 0.0000
+ 2.0 3 n=2 n 0.0000 0.0000
+ 2.0 2 n+ n 0.1617 0.0883
+ 2.0 2 nt n -0.1186 0.1186
+ 2.0 2 o n 0.0427 -0.0427
+ 2.0 2 op n -0.1684 0.1684
+ 2.0 2 o' n -0.1684 0.1684
+ 2.0 2 s n 0.1753 -0.1753
+ 2.0 2 sp n 0.1346 -0.1346
+ 2.0 2 s' n 0.1346 -0.1346
+ 1.0 1 h* n 0.4395 -0.4395
+ 2.0 2 p n 0.3359 -0.3359
+ 2.0 2 f n -0.0731 0.0731
+ 2.0 2 cl n 0.0897 -0.0897
+ 2.0 2 br n 0.1422 -0.1422
+ 2.0 2 i n 0.1554 -0.1554
+ 2.0 2 si n 0.4368 -0.4368
+ 2.0 2 nn nn 0.0000 0.0000
+ 2.0 2 np nn 0.0000 0.0000
+ 2.0 2 nh nn 0.1637 -0.1637
+ 2.0 2 n= nn 0.0000 0.0000
+ 2.0 3 n=1 nn 0.0000 0.0000
+ 2.0 3 n=2 nn 0.0000 0.0000
+ 2.0 2 n+ nn 0.1617 0.0883
+ 2.0 2 nt nn -0.1186 0.1186
+ 2.0 2 o nn 0.0427 -0.0427
+ 2.0 2 op nn -0.1684 0.1684
+ 2.0 2 o' nn -0.1684 0.1684
+ 2.0 2 s nn 0.1753 -0.1753
+ 2.0 2 sp nn 0.1346 -0.1346
+ 2.0 2 s' nn 0.1346 -0.1346
+ 1.0 1 h* nn 0.2487 -0.2487
+ 2.0 2 p nn 0.3359 -0.3359
+ 2.0 2 f nn -0.0731 0.0731
+ 2.0 2 cl nn 0.0897 -0.0897
+ 2.0 2 br nn 0.1422 -0.1422
+ 2.0 2 i nn 0.1554 -0.1554
+ 2.0 2 si nn 0.4368 -0.4368
+ 1.0 1 np np 0.0000 0.0000
+ 1.0 1 nh np -0.2823 0.2823
+ 2.0 2 n= np 0.0000 0.0000
+ 2.0 3 n=1 np 0.0000 0.0000
+ 2.0 3 n=2 np 0.0000 0.0000
+ 2.0 2 n+ np 0.1617 0.0883
+ 2.0 2 nt np -0.1186 0.1186
+ 2.0 2 o np 0.0427 -0.0427
+ 2.0 2 op np -0.1684 0.1684
+ 2.0 2 o' np -0.1684 0.1684
+ 2.0 2 o- np -0.1684 0.1684
+ 2.0 2 s np 0.1753 -0.1753
+ 2.0 2 sp np 0.1346 -0.1346
+ 2.0 2 s' np 0.1346 -0.1346
+ 2.0 2 h* np 0.3278 -0.3278
+ 2.0 2 p np 0.3359 -0.3359
+ 2.0 2 f np -0.0731 0.0731
+ 2.0 2 cl np 0.0897 -0.0897
+ 2.0 2 br np 0.1422 -0.1422
+ 2.0 2 i np 0.1554 -0.1554
+ 2.0 2 si np 0.4368 -0.4368
+ 2.0 2 nh nh 0.0000 0.0000
+ 2.0 2 n= nh -0.1637 0.1637
+ 2.0 3 n=1 nh -0.1637 0.1637
+ 2.0 3 n=2 nh -0.1637 0.1637
+ 2.0 2 n+ nh -0.0044 0.2544
+ 2.0 2 nt nh -0.2783 0.2783
+ 2.0 2 o nh -0.1090 0.1090
+ 2.0 2 op nh -0.3148 0.3148
+ 2.0 2 o' nh -0.3148 0.3148
+ 2.0 2 s nh -0.0046 0.0046
+ 2.0 2 sp nh -0.0454 0.0454
+ 2.0 2 s' nh -0.0454 0.0454
+ 1.0 1 h* nh 0.3925 -0.3925
+ 1.0 1 hi nh 0.3925 0.1075
+ 2.0 2 p nh 0.1375 -0.1375
+ 2.0 2 f nh -0.2220 0.2220
+ 2.0 2 cl nh -0.0854 0.0854
+ 2.0 2 br nh -0.0438 0.0438
+ 2.0 2 i nh -0.0356 0.0358
+ 2.0 2 si nh 0.2278 -0.2278
+ 2.0 2 n= n= 0.0000 0.0000
+ 2.0 3 n=1 n= 0.0000 0.0000
+ 2.0 3 n=2 n= 0.0000 0.0000
+ 2.0 3 n=1 n=1 0.0000 0.0000
+ 2.0 3 n=2 n=2 0.0000 0.0000
+ 2.0 3 n=1 n=2 0.0000 0.0000
+ 2.0 2 n+ n= 0.1617 0.0883
+ 2.0 2 nt n= -0.1186 0.1186
+ 2.0 2 nt n=1 -0.1186 0.1186
+ 2.0 2 nt n=2 -0.1186 0.1186
+ 2.0 2 o n= 0.0427 -0.0427
+ 2.0 2 op n= -0.1684 0.1684
+ 2.0 2 o' n= -0.1684 0.1684
+ 2.0 2 o- n= -0.1684 0.1684
+ 2.0 2 s n= 0.1753 -0.1753
+ 2.0 2 sp n= 0.1346 -0.1346
+ 2.0 2 s' n= 0.1346 -0.1346
+ 2.0 2 h* n= 0.3278 -0.3278
+ 2.0 2 p n= 0.3359 -0.3359
+ 2.0 2 f n= -0.0731 0.0731
+ 2.0 2 cl n= 0.0897 -0.0897
+ 2.0 2 br n= 0.1422 -0.1422
+ 2.0 2 i n= 0.1554 -0.1554
+ 2.0 2 si n= 0.4368 -0.4368
+ 2.0 3 n+ n=1 0.1617 0.0883
+ 2.0 3 o n=1 0.0427 -0.0427
+ 2.0 3 op n=1 -0.1684 0.1684
+ 2.0 3 o' n=1 -0.1684 0.1684
+ 2.0 3 s n=1 0.1753 -0.1753
+ 2.0 3 sp n=1 0.1346 -0.1346
+ 2.0 3 s' n=1 0.1346 -0.1346
+ 2.0 3 h* n=1 0.3278 -0.3278
+ 2.0 3 p n=1 0.3359 -0.3359
+ 2.0 3 f n=1 -0.0731 0.0731
+ 2.0 3 cl n=1 0.0897 -0.0897
+ 2.0 3 br n=1 0.1422 -0.1422
+ 2.0 3 i n=1 0.1554 -0.1554
+ 2.0 3 si n=1 0.4368 -0.4368
+ 2.0 3 n+ n=2 0.1617 0.0883
+ 2.0 3 o n=2 0.0427 -0.0427
+ 2.0 3 op n=2 -0.1684 0.1684
+ 2.0 3 s n=2 0.1753 -0.1753
+ 2.0 3 sp n=2 0.1346 -0.1346
+ 2.0 3 o' n=2 -0.1684 0.1684
+ 2.0 3 s' n=2 0.1346 -0.1346
+ 2.0 3 h* n=2 0.3278 -0.3278
+ 2.0 3 p n=2 0.3359 -0.3359
+ 2.0 3 f n=2 -0.0731 0.0731
+ 2.0 3 cl n=2 0.0897 -0.0897
+ 2.0 3 br n=2 0.1422 -0.1422
+ 2.0 3 i n=2 0.1554 -0.1554
+ 2.0 3 si n=2 0.4368 -0.4368
+ 2.0 2 n+ n+ 0.0000 0.0000
+ 2.0 2 o n+ 0.1250 0.1250
+ 2.0 2 op n+ -0.0918 0.3418
+ 2.0 2 o' n+ -0.0918 0.3418
+ 2.0 2 s n+ 0.2755 -0.0255
+ 2.0 2 sp n+ 0.2341 0.0159
+ 2.0 2 s' n+ 0.2341 0.0159
+ 1.0 1 h+ n+ 0.2800 -0.0300
+ 2.0 2 p n+ 0.4494 -0.1994
+ 2.0 2 f n+ 0.0062 0.2438
+ 2.0 2 cl n+ 0.1858 0.0642
+ 2.0 2 br n+ 0.2452 0.0048
+ 2.0 2 i n+ 0.2615 -0.0115
+ 2.0 2 si n+ 0.5583 -0.3083
+ 1.0 1 h* nr 0.4068 -0.4068
+ 2.0 2 nt nt 0.0000 0.0000
+ 2.0 2 o nt 0.1523 -0.1523
+ 2.0 2 op nt -0.0585 0.0585
+ 2.0 2 o' nt -0.0585 0.0585
+ 2.0 2 s nt 0.3010 -0.3010
+ 2.0 2 sp nt 0.2612 -0.2612
+ 2.0 2 s' nt 0.2612 -0.2612
+ 2.0 2 p nt 0.4691 -0.4691
+ 2.0 2 h nt 0.4688 -0.4688
+ 2.0 2 f nt 0.0367 -0.0367
+ 2.0 2 cl nt 0.2141 -0.2141
+ 2.0 2 br nt 0.2727 -0.2727
+ 2.0 2 i nt 0.2889 -0.2889
+ 2.0 2 si nt 0.5738 -0.5738
+ 1.0 1 h* o* 0.3991 -0.3991
+ 1.0 1 h* o 0.4241 -0.4241
+ 2.0 2 o o 0.0000 0.0000
+ 2.0 2 op o -0.1962 0.1962
+ 2.0 2 o' o -0.1962 0.1962
+ 2.0 2 s o 0.1143 -0.1143
+ 2.0 2 sp o 0.0766 -0.0766
+ 2.0 2 s' o 0.0766 -0.0766
+ 2.0 2 p o 0.2548 -0.2548
+ 2.0 2 f o -0.1077 0.1077
+ 2.0 2 cl o 0.0367 -0.0367
+ 2.0 2 br o 0.0818 -0.0818
+ 2.0 2 i o 0.0924 -0.0924
+ 2.0 2 si o 0.3425 -0.3425
+ 2.0 2 op op 0.0000 0.0000
+ 2.0 2 o' op 0.0000 0.0000
+ 2.0 2 s op 0.3386 -0.3386
+ 2.0 2 sp op 0.3024 -0.3024
+ 2.0 2 s' op 0.3024 -0.3024
+ 2.0 2 p op 0.4933 -0.4933
+ 2.0 2 h op 0.4943 -0.4943
+ 2.0 2 f op 0.0888 -0.0888
+ 2.0 2 cl op 0.2585 -0.2585
+ 2.0 2 br op 0.3140 -0.3140
+ 2.0 2 i op 0.3297 -0.3297
+ 2.0 2 si op 0.5883 -0.5883
+ 2.0 2 o' o' 0.0000 0.0000
+ 2.0 2 s o' 0.3386 -0.3386
+ 2.0 2 sp o' 0.3024 -0.3024
+ 2.0 2 s' o' 0.3024 -0.3024
+ 2.0 2 p o' 0.4933 -0.4933
+ 2.0 2 h o' 0.4943 -0.4943
+ 2.0 2 f o' 0.0888 -0.0888
+ 2.0 2 cl o' 0.2585 -0.2585
+ 2.0 2 br o' 0.3140 -0.3140
+ 2.0 2 i o' 0.3297 -0.3297
+ 2.0 2 si o' 0.5883 -0.5883
+ 2.0 2 p o- 0.3500 -0.8500
+ 2.0 2 s s 0.0000 0.0000
+ 2.0 2 sp s -0.0455 0.0455
+ 2.0 2 s' s -0.0455 0.0455
+ 2.0 2 p s 0.1600 -0.1600
+ 2.0 2 h s 0.1392 -0.1392
+ 2.0 2 f s -0.2380 0.2380
+ 2.0 2 cl s -0.0898 0.0898
+ 2.0 2 br s -0.0437 0.0437
+ 2.0 2 i s -0.0345 0.0345
+ 2.0 2 si s 0.2634 -0.2634
+ 2.0 2 sp sp 0.0000 0.0000
+ 2.0 2 s' sp 0.0000 0.0000
+ 2.0 2 p sp 0.2106 -0.2106
+ 2.0 2 h sp 0.1932 -0.1932
+ 2.0 2 f sp -0.2011 0.2011
+ 2.0 2 cl sp -0.0457 0.0457
+ 2.0 2 br sp 0.0034 -0.0034
+ 2.0 2 i sp 0.0140 -0.0140
+ 2.0 2 si sp 0.3172 -0.3172
+ 2.0 2 s' s' 0.0000 0.0000
+ 2.0 2 p s' 0.2106 -0.2106
+ 2.0 2 h s' 0.1932 -0.1932
+ 2.0 2 f s' -0.2011 0.2011
+ 2.0 2 cl s' -0.0457 0.0457
+ 2.0 2 br s' 0.0034 -0.0034
+ 2.0 2 i s' 0.0140 -0.0140
+ 2.0 2 si s' 0.3172 -0.3172
+ 2.0 2 p s- 0.1824 -0.6824
+ 2.0 2 p p 0.0000 0.0000
+ 2.0 2 h p -0.0356 0.0356
+ 2.0 2 f p -0.3869 0.3869
+ 2.0 2 cl p -0.2544 0.2544
+ 2.0 2 br p -0.2156 0.2156
+ 2.0 2 i p -0.2110 0.2110
+ 2.0 2 si p 0.1069 -0.1069
+ 2.0 2 h h 0.0000 0.0000
+ 2.0 2 f h -0.3823 0.3823
+ 2.0 2 cl h -0.2404 0.2404
+ 2.0 2 br h -0.1978 0.1978
+ 2.0 2 i h -0.1923 0.1923
+ 2.0 2 si h 0.1537 -0.1537
+ 2.0 2 f f 0.0000 0.0000
+ 2.0 2 cl f 0.1589 -0.1589
+ 2.0 2 br f 0.2099 -0.2099
+ 2.0 2 i f 0.2234 -0.2234
+ 2.0 2 si f 0.4789 -0.4789
+ 2.0 2 cl cl 0.0000 0.0000
+ 2.0 2 br cl 0.0507 -0.0507
+ 2.0 2 i cl 0.0623 -0.0623
+ 2.0 2 si cl 0.3598 -0.3598
+ 2.0 2 br br 0.0000 0.0000
+ 2.0 2 i br 0.0110 -0.0110
+ 2.0 2 si br 0.3273 -0.3273
+ 2.0 2 i i 0.0000 0.0000
+ 2.0 2 si i 0.3263 -0.3263
+ 2.0 2 si si 0.0000 0.0000
+
+#reference 1
+cff91 forcefield created
+December 1991
+@Author Biosym Technologies inc
+@Date 25-December-91
+
+#reference 2
+automatic parameter assignment included
+September 1992
+@Author Shenghua Shi
+@Date 17-August-92
+
+#reference 3
+for conjugated systems
+September 1992
+@Author Shenghua Shi
+@Date 17-August-92
+
+#reference 4
+atom type c" changed to c*
+September 1992
+@Author Shenghua Shi
+@Date 19-October-92
+
+#reference 5
+nonbond parameter for nt set equivalent to n=
+December 1992
+@Author Shenghua Shi
+@Date 04-December-92
+
+#reference 6
+add a new atom type ct2 for carbon in CO2
+July 1993
+@Author Shenghua Shi
+@Date 12-July-93
+
+#reference 7
+nonbond parameter for ct set equivalent to c=
+July 1993
+@Author Shenghua Shi
+@Date 12-July-93
+
+#reference 8
+the auto torison parameters for (* o_ o_ *) and (* o_ s_ *) changed
+from (1.00 3) to (5.00 2)
+July 1993
+@Author Shenghua Shi
+@Date 12-July-93
+
+#reference 9
+atom type ca+ is added into the equivalence Table
+July 1993
+@Author Shenghua Shi
+@Date 30-July-93
+
+#reference 10
+vdw parameter for nz is set equivalent to nt == n=
+September 93
+@Author Shenghua Shi
+@Date 23-September-93
+
+#reference 11
+vdw parameter for s' and s- have been set equivalent to sp
+April 94
+@Author Shenghua Shi
+@Date 06-April-94
+
+
+#end
+
+
diff --git a/tools/msi2lmp/biosym_frc_files/cvff.frc b/tools/msi2lmp/biosym_frc_files/cvff.frc
new file mode 100644
index 0000000000..e3791aa86d
--- /dev/null
+++ b/tools/msi2lmp/biosym_frc_files/cvff.frc
@@ -0,0 +1,4716 @@
+!BIOSYM forcefield 1
+
+#version cvff.frc 1.2 13-Dec-90
+#version cvff.frc 1.3 28-Feb-91
+#version cvff.frc 1.4 12-Mar-91
+#version cvff.frc 1.5 19-Mar-91
+#version cvff.frc 1.6 17-Jul-91
+#version cvff.frc 1.7 15-Oct-91
+#version cvff.frc 1.8 07-Nov-91
+#version cvff.frc 1.9 09-Mar-92
+#version cvff.frc 2.0 22-Jul-92
+#version cvff.frc 2.1 02-Sep-92
+#version cvff.frc 2.2 11-Sep-94
+#version cvff.frc 2.3 29-Jul-93
+#version cvff.frc 2.4 01-Mar-02
+
+! Currently Insight does not handle version numbers on lines correctly.
+! It uses the first occurence of a line, so when making changes you
+! can either comment the original out temporarily or put the correct
+! line first.
+
+
+
+#define cvff_nocross_nomorse
+
+> This is the new format version of the cvff forcefield
+
+!Ver Ref Function Label
+!---- --- --------------------------------- ------
+ 2.0 18 atom_types cvff
+ 1.0 1 equivalence cvff
+ 2.0 18 auto_equivalence cvff_auto
+ 1.0 1 hbond_definition cvff
+ 2.0 18 quadratic_bond cvff cvff_auto
+ 2.0 18 quadratic_angle cvff cvff_auto
+ 2.0 18 torsion_1 cvff cvff_auto
+ 2.0 18 out_of_plane cvff cvff_auto
+ 1.0 1 nonbond(12-6) cvff
+
+
+#define cvff
+
+> This is the new format version of the cvff forcefield
+
+!Ver Ref Function Label
+!---- --- --------------------------------- ------
+ 2.0 18 atom_types cvff
+ 1.0 1 equivalence cvff
+ 2.0 18 auto_equivalence cvff_auto
+ 1.0 1 hbond_definition cvff
+ 2.0 18 morse_bond cvff cvff_auto
+ 2.0 18 quadratic_angle cvff cvff_auto
+ 2.0 18 torsion_1 cvff cvff_auto
+ 2.0 18 out_of_plane cvff cvff_auto
+ 1.0 1 bond-bond cvff
+ 1.0 1 bond-angle cvff
+ 1.0 1 angle-angle-torsion_1 cvff
+ 1.0 1 out_of_plane-out_of_plane cvff
+ 1.0 1 angle-angle cvff
+ 1.0 1 nonbond(12-6) cvff
+
+
+
+#define cvff_nocross
+
+> This is the new format version of the cvff forcefield
+
+!Ver Ref Function Label
+!---- --- --------------------------------- ------
+ 2.0 18 atom_types cvff
+ 1.0 1 equivalence cvff
+ 2.0 18 auto_equivalence cvff_auto
+ 1.0 1 hbond_definition cvff
+ 2.0 18 morse_bond cvff cvff_auto
+ 2.0 18 quadratic_angle cvff cvff_auto
+ 2.0 18 torsion_1 cvff cvff_auto
+ 2.0 18 out_of_plane cvff cvff_auto
+ 1.0 1 nonbond(12-6) cvff
+
+
+
+#define cvff_nomorse
+
+> This is the new format version of the cvff forcefield
+
+!Ver Ref Function Label
+!---- --- --------------------------------- ------
+ 2.0 18 atom_types cvff
+ 1.0 1 equivalence cvff
+ 2.0 18 auto_equivalence cvff_auto
+ 1.0 1 hbond_definition cvff
+ 2.0 18 quadratic_bond cvff cvff_auto
+ 2.0 18 quadratic_angle cvff cvff_auto
+ 2.0 18 torsion_1 cvff cvff_auto
+ 2.0 18 out_of_plane cvff cvff_auto
+ 1.0 1 bond-bond cvff
+ 1.0 1 bond-angle cvff
+ 1.0 1 angle-angle-torsion_1 cvff
+ 1.0 1 out_of_plane-out_of_plane cvff
+ 1.0 1 angle-angle cvff
+ 1.0 1 nonbond(12-6) cvff
+
+
+
+
+#atom_types cvff
+
+> Atom type definitions for any variant of cvff
+> Masses from CRC 1973/74 pages B-250.
+
+!Ver Ref Type Mass Element Connections Comment
+!---- --- ---- ---------- ------- -----------------------------------------
+ 1.0 1 h 1.007970 H 1 Hydrogen bonded to C. Masses from CRC 1973/74 pages B-250.
+ 1.0 1 d 2.014000 D 1 General Deuterium Atom
+ 1.0 1 hn 1.007970 H 1 Hydrogen bonded to N
+ 1.0 1 ho 1.007970 H 1 Hydrogen bonded to O
+ 1.0 1 hp 1.007970 H 1 Hydrogen bonded to P
+ 1.0 1 hs 1.007970 H 1 Hydrogen bonded to S
+ 1.0 1 h* 1.007970 H 1 Hydrogen in water molecule
+ 2.3 25 hspc 1.007970 H 1 Hydrogen in SPC water molecule
+ 2.3 25 htip 1.007970 H 1 Hydrogen in TIP water molecule
+ 1.0 1 h$ 1.007970 H 1 Hydrogen atom for automatic parameter assignment
+ 1.0 1 lp 0.001097 L 1 Lone Pair (massless)
+ 1.1 2 lp 1.000000 L 1 Lone Pair
+ 2.0 18 h+ 1.007970 H 1 Charged hydrogen in cations
+ 2.0 18 hc 1.007970 H 1 Hydrogen bonded to carbon
+ 2.0 18 hi 1.007970 H 1 Hydrogen in charged imidazole ring
+ 2.0 18 hw 1.007970 H 1 Hydrogen in water molecule
+ 2.0 18 dw 2.014000 D 1 Deuterium in heavy water
+ 1.0 1 c 12.011150 C 4 Sp3 aliphatic carbon
+ 1.0 1 cg 12.011150 C 4 Sp3 alpha carbon in glycine
+ 1.0 1 c' 12.011150 C 3 Sp2 carbon in carbonyl (C=O) group
+ 2.0 21 c* 12.011150 C 3 Carbon in carbonyl group, non_amides
+ 2.0 18 c" 12.011150 C 3 Carbon in carbonyl group, non_amides
+ 1.0 1 cp 12.011150 C 3 Sp2 aromatic carbon (partial double bonds)
+ 1.0 1 cr 12.011150 C 3 Carbon in guanidinium group (HN=C(NH2)2)
+ 2.0 18 c+ 12.011150 C 3 C in guanidinium group
+ 1.0 1 c- 12.011150 C 3 Carbon in charged carboxylate (COO-) group
+ 1.0 1 ca 12.011150 C 4 General amino acid alpha carbon (sp3)
+ 1.0 1 c3 12.011150 C 4 Sp3 carbon in methyl (CH3) group
+ 1.0 1 cn 12.011150 C 4 Sp3 Carbon bonded to N
+ 1.0 1 c2 12.011150 C 4 Sp3 carbon bonded to 2 H's, 2 heavy atoms
+ 1.0 1 c1 12.011150 C 4 Sp3 carbon bonded to 1 H, 3 Heavy atoms
+ 1.0 1 c5 12.011150 C 3 Sp2 aromatic carbon in five membered ring
+ 1.3 6 cs 12.011150 C 3 Sp2 carbon involved in thiophene
+ 1.0 1 c= 12.011150 C 3 Non-aromatic end doubly bonded carbon
+ 2.0 19 c=1 12.011150 C 3 Non-aromatic, next to end doubly bonded carbon
+ 2.0 19 c=2 12.011150 C 3 Non-aromatic doubly bonded carbon
+ 1.0 1 ct 12.011150 C 2 Sp carbon involved in triple bond
+ 1.0 1 ci 12.011150 C 3 Aromatic carbon in a charged imidazole ring (HIS+)
+ 1.0 1 c$ 12.011150 C 4 Carbon atom for automatic parameter assignment
+ 2.0 18 co 12.011150 C 4 Sp3 carbon in acetals
+ 2.0 18 c3m 12.011150 C 4 Sp3 carbon in 3-membered ring
+ 2.0 18 c4m 12.011150 C 4 Sp3 carbon in 4-membered ring
+ 2.0 18 coh 12.011150 C 4 Sp3 carbon in acetals with hydrogen
+ 2.0 18 c3h 12.011150 C 4 Sp3 carbon in 3-membered ring with hydrogens
+ 2.0 18 c4h 12.011150 C 4 Sp3 carbon in 4-membered ring with hydrogens
+ 2.0 18 ci 12.011150 C 3 Sp2 aromatic carbon in charged imidazole ring (His+)
+ 1.0 1 n 14.006700 N 3 Sp2 nitrogen with 1 H, 2 heavy atoms (amide group)
+ 2.3 23 no 14.006700 N 3 Sp2 nitrogen in nitro group
+ 1.0 1 n2 14.006700 N 3 Sp2 nitrogen (NH2 in the guanidinium group (HN=C(NH2)2))
+ 1.0 1 np 14.006700 N 2 Sp2 aromatic nitrogen (partial double bonds)
+ 1.0 1 n3 14.006700 N 3 Sp3 nitrogen with three substituents
+ 1.0 1 n4 14.006700 N 4 Sp3 nitrogen with four substituents
+ 1.0 1 n= 14.006700 N 2 Non-aromatic end double bonded nitrogen
+ 2.0 19 n=1 14.006700 N 2 Non-aromatic, next to end doubly bonded carbon
+ 2.0 19 n=2 14.006700 N 2 Non-aromatic doubly bonded nitrogen
+ 1.0 1 nt 14.006700 N 1 Sp nitrogen involved in triple bond
+ 1.3 4 nz 14.006700 N 1 Sp nitrogen in N2
+ 1.0 1 n1 14.006700 N 3 Sp2 nitrogen in charged arginine
+ 1.0 1 ni 14.006700 N 3 Sp2 nitrogen in a charged imidazole ring (HIS+)
+ 1.0 1 n$ 14.006700 N 3 Nitrogen atom for automatic parameter assignment
+ 2.0 18 na 14.006700 N 3 Sp3 nitrogen in amines
+ 2.0 18 n3m 14.006700 N 3 Sp3 nitrogen in 3- membered ring
+ 2.0 18 n4m 14.006700 N 3 Sp3 nitrogen in 4- membered ring
+ 2.0 18 n3n 14.00670 N 3 Sp2 nitrogen in 3- membered ring
+ 2.0 18 n4n 14.00670 N 3 Sp2 nitrogen in 4- membered ring
+ 2.0 18 nb 14.006700 N 3 Sp2 nitrogen in aromatic amines
+ 2.0 18 nn 14.006700 N 3 Sp2 nitrogen in aromatic amines
+ 2.0 18 npc 14.006700 N 3 Sp2 nitrogen in 5- or 6- membered ring bonded to a heavy atom
+ 2.0 18 nh 14.006700 N 3 Sp2 nitrogen in 5-or 6- membered ring with hydrogen attached
+ 2.0 18 nho 14.006700 N 3 Sp2 nitrogen in 6- membered ring next to a carbonyl group and with a hydrogen
+ 2.0 18 nh+ 14.006700 N 3 Protonated nitrogen in 6- membered ring with hydrogen attached
+ 2.0 18 n+ 14.006700 N 4 Sp3 nitrogen in protonated amines
+ 2.0 18 nr 14.006700 N 3 Sp2 nitrogen (NH2) in guanidinium group (HN=C(NH2)2)
+ 1.0 1 o' 15.999400 O 1 Oxygen in carbonyl (C=O) group
+ 1.0 1 o 15.999400 O 2 Sp3 oxygen in ether or ester groups
+ 1.8 14 oz 15.999400 O 1 Oxygen in Zeolite
+ 1.0 1 o- 15.999400 O 1 Oxygen in charged carboxylate (COO-) group
+ 1.0 1 oh 15.999400 O 2 Oxygen in hydroxyl (OH) group
+ 1.0 1 o* 15.999400 O 2 Oxygen in water molecule
+ 2.3 25 ospc 15.999400 O 2 Oxygen in SPC water molecule
+ 2.3 25 otip 15.999400 O 2 Oxygen in TIP3P water molecule
+ 1.3 8 op 15.999400 O 2 Oxygen in aromatic rings. e.g. furan
+ 1.0 1 of 15.999400 O 2 Oxygen
+ 1.0 1 o$ 15.999400 O 2 Oxygen atom for automatic parameter assignment
+ 2.0 18 oc 15.999400 O 2 Sp3 oxygen in ether or acetals
+ 2.0 18 oe 15.999400 O 2 Sp3 oxygen in ester
+ 2.0 18 o3e 15.999400 O 2 Sp3 oxygen in three membered ring
+ 2.0 18 o4e 15.999400 O 2 Sp3 oxygen in four membered ring
+ 1.0 1 s 32.064000 S 2 Sulfur in methionine (C-S-C) group
+ 1.0 1 s1 32.064000 S 2 Sulfur involved in S-S disulfide bond
+ 1.0 1 sh 32.064000 S 2 Sulfur in sulfhydryl (-SH) group
+ 1.3 6 sp 32.064000 S 2 Sulfur in thiophene
+ 1.3 7 s' 32.064000 S 2 Sulfur in thioketone (>C=S) group
+ 1.0 1 s$ 32.064000 S 2 Sulfur atom for automatic parameter assignment
+ 2.0 18 sc 32.064000 S 2 Sp3 sulfur in methionines (C-S-C) group
+ 2.0 18 s3e 32.06400 S 2 Sulfur in three membered ring
+ 2.0 18 s4e 32.06400 S 2 Sulfur in four membered ring
+ 2.0 18 s- 32.064000 S 1 Partial double sulfur bonded to something then bonded to another
+! Partial double oxygen or sulfur
+ 1.0 1 p 30.973800 P 4 General phosphorous atom
+ 1.8 14 pz 30.973800 P 1 Phosphorous atom in ALPO type structure
+ 1.0 1 p$ 30.973800 P 4 Phosphorous atom for automatic parameter assignment
+ 2.0 18 ca+ 40.079800 Ca Calcium ion Ca2+, mass = mass of Ca - 2*electron mass.
+ 1.0 1 f 18.998400 F 1 Fluorine bonded to a carbon
+ 1.0 1 cl 35.453000 Cl 1 Chlorine bonded to a carbon
+ 1.0 1 br 79.909000 Br 1 Bromine bonded to a carbon
+ 1.3 4 i 126.9045 I 1 Covalently bound Iodine
+ 1.0 1 si 28.086000 Si 4 Silicon
+ 1.8 14 sz 28.086000 Si 1 Silicon atom in a Zeolite or Silicate
+ 1.0 1 nu 12.000000 D NULL atom for relative free energy
+ 1.0 1 Cl 35.453000 Cl 1 Chloride ion Cl-
+ 1.0 1 Br 79.904000 Br 1 Bromide ion Br-
+ 1.0 1 Na 22.989800 Na 1 Sodium ion
+ 1.3 9 ar 39.948 Ar 0 Argon atom
+ 2.4 30 he 4.002600 He 0 Helium atom
+ 2.1 26 al 26.982000 Al 0 Aluminium in alumino-silicate
+ 2.1 26 az 26.982000 Al 0 Aluminium in alumino-silicate
+ 2.1 26 Al 26.982000 Al 0 Aluminium metal
+ 2.1 26 Na 22.990000 Na 0 Sodium metal
+ 2.1 26 Pt 195.090000 Pt 0 Platinum metal
+ 2.1 26 Pd 106.400000 Pd 0 Palladium metal
+ 2.1 26 Au 196.967000 Au 0 Gold metal
+ 2.1 26 Ag 107.868000 Ag 0 Silver metal
+ 2.1 26 Sn 118.690000 Sn 0 Tin metal
+ 2.1 26 K 39.102000 K 0 Potassium metal
+ 2.1 26 Li 6.940000 Li 0 Lithium metal
+ 2.1 26 Mo 95.940000 Mo 0 Molybdenum metal
+ 2.1 26 Fe 55.847000 Fe 0 Iron metal
+ 2.1 26 W 183.850000 W 0 Tungsten metal
+ 2.1 26 Ni 58.710000 Ni 0 Nickel metal
+ 2.1 26 Cr 51.996000 Cr 0 Chromium metal
+ 2.1 26 Cu 63.546000 Cu 0 Copper metal
+ 2.1 26 Pb 207.200000 Pb 0 Lead metal
+ 2.1 27 mg 100.000000 mg 0 Magnesium
+
+
+
+#equivalence cvff
+
+> Equivalence table for any variant of cvff
+
+! Equivalences
+! -----------------------------------------
+!Ver Ref Type NonB Bond Angle Torsion OOP
+!---- --- ---- ---- ---- ----- ------- ----
+ 1.0 1 h h h h h h
+ 1.0 1 d h h h h h
+ 1.0 1 hp h h h h h
+ 2.0 18 hc h h h h h
+ 1.0 1 hs h hs hs hs hs
+ 1.0 1 hn hn hn hn hn hn
+ 1.0 1 ho hn ho ho ho ho
+ 2.0 18 hi hn hn hn hn hn
+ 2.0 18 h+ hn hn hn hn hn
+ 1.0 1 h* h* h* h* h* h*
+ 2.3 25 hspc hspc hspc hspc hspc hspc
+ 2.3 25 htip htip htip htip htip htip
+ 2.0 18 hw h* h* h* h* h*
+ 2.0 18 dw h* h* h* h* h*
+ 1.0 1 h$ h$ h$ h$ h$ h$
+ 1.0 1 lp h lp h h h
+ 1.0 24 c cg c c c c
+ 2.0 24 co cg c c c c
+ 2.0 24 c3m cg c c c c
+ 2.0 24 c4m cg c c c c
+ 2.0 18 coh cg c c c c
+ 2.0 18 c3h cg c c c c
+ 2.0 18 c4h cg c c c c
+ 1.0 1 cg cg c c c c
+ 1.0 1 ca cg c c c c
+ 1.0 1 cn cg c c c c
+ 1.0 1 c3 cg c c c c
+ 1.0 1 c2 cg c c c c
+ 1.0 1 c1 cg c c c c
+ 1.0 1 c' c' c' c' c' c'
+ 2.0 18 c" c' c' c' c' c'
+ 2.0 21 c* c' c' c' c' c'
+ 1.0 1 cp c' cp cp cp cp
+ 1.0 1 c5 c' c5 c5 cp cp
+ 1.3 6 cs c' cs cs cs cs
+ 1.0 1 cr c' cr c' cr c'
+ 2.0 18 c+ c' cr c' cr c'
+ 1.0 1 c- c' c' c' c' c'
+ 1.0 1 c= c' c= c= c= c=
+ 2.0 19 c=1 c' c=1 c= c=1 c=
+ 2.0 19 c=2 c' c=2 c= c=2 c=
+ 1.0 1 ct c' ct ct ct ct
+ 1.0 1 ci c' ci c5 cp cp
+ 1.0 1 c$ c$ c$ c$ c$ c$
+ 1.0 1 n n n n n n
+ 2.3 23 no n no no no no
+ 2.0 18 n3n n n n n n
+ 2.0 18 n4n n n n n n
+ 1.0 1 n2 n n2 n n2 n2
+ 1.0 1 n3 n n3 n3 n3 n3
+ 2.0 18 na n n3 n3 n3 n3
+ 2.0 18 n3m n n3 n3 n3 n3
+ 2.0 18 n4m n n3 n3 n3 n3
+ 1.0 1 n4 n n4 n3 n3 n3
+ 2.0 18 n+ n n4 n3 n3 n3
+ 2.0 18 nn n n3 n3 n3 n3
+ 2.0 18 nb n n3 n3 n3 n3
+ 1.0 1 np n np np np np
+ 1.0 1 n= n n= np np np
+ 2.0 19 n=1 n n=1 np np np
+ 2.0 19 n=2 n n=2 np np np
+ 1.0 1 nt n nt nt nt nt
+ 1.3 4 nz n nz nz nz nz
+ 1.0 1 n1 n n1 n n n
+ 1.0 1 ni n ni np np np
+ 2.0 18 nh n np np np np
+ 2.0 18 npc n np np np np
+ 2.0 18 nho n np np np np
+ 2.0 18 nh+ n nh+ np np np
+ 2.0 18 nr n n2 n2 n2 n2
+ 1.0 1 n$ n$ n$ n$ n$ n$
+ 1.0 1 o' o' o' o' o' o'
+ 1.0 1 o o' o o o o'
+ 1.8 14 oz oz oz oz oz oz
+ 1.0 1 o- o' o- o- o' o'
+ 1.0 1 oh o' oh o o o'
+ 1.0 1 o* o* o* o* o* o*
+ 2.3 25 ospc ospc ospc o* o* o*
+ 2.3 25 otip otip otip o* o* o*
+ 1.3 8 op o' op op op op
+ 1.0 1 of o' oh o of o'
+ 1.0 1 o$ o$ o$ o$ o$ o$
+ 2.0 18 oc o' o o o o'
+ 2.0 18 oe o' o o o o'
+ 2.0 18 o3e o' o o o o'
+ 2.0 18 o4e o' o o o o'
+ 1.0 1 s s s s s s
+ 1.0 1 s1 s s s s s
+ 1.0 1 sh s sh sh sh sh
+ 1.3 7 s' s' s' s' s' s'
+ 1.3 6 sp s' sp sp sp sp
+ 1.0 1 s$ s$ s$ s$ s$ s$
+ 2.0 18 sc s s s s s
+ 2.0 18 s3e s s s s s
+ 2.0 18 s4e s s s s s
+ 1.0 1 p p p p p p
+ 1.8 14 pz p p p p p
+ 1.0 1 p$ p$ p$ p$ p$ p$
+ 1.0 1 ca+ ca+ ca+ ca+ ca+ ca+
+ 1.0 1 f f f f f f
+ 1.3 4 i i i i i i
+ 1.0 1 cl cl cl cl cl cl
+ 1.0 1 br br br br br br
+ 1.0 1 si si si si si si
+ 1.8 14 sz sz sz sz sz sz
+ 1.0 1 nu nu nu nu nu nu
+ 1.0 1 Cl Cl Cl Cl Cl Cl
+ 1.0 1 Br Br Br Br Br Br
+ 1.0 1 Na Na Na Na Na Na
+ 1.3 9 ar ar ar ar ar ar
+ 2.4 30 he he he he he he
+ 2.1 26 al sz al si si si
+ 2.1 26 az sz az sz sz sz
+ 2.1 26 Al Al Br c c c
+ 2.1 26 Pt Pt Br c c c
+ 2.1 26 Pd Pd Br c c c
+ 2.1 26 Au Au Br c c c
+ 2.1 26 Ag Ag Br c c c
+ 2.1 26 Sn Na Br c c c
+ 2.1 26 K K Br c c c
+ 2.1 26 Li Li Br c c c
+ 2.1 26 Mo Mo Br c c c
+ 2.1 26 Fe Fe Br c c c
+ 2.1 26 W W Br c c c
+ 2.1 26 Ni Ni Br c c c
+ 2.1 26 Cr Cr Br c c c
+ 2.1 26 Cu Cu Br c c c
+ 2.1 26 Pb Pb Br c c c
+ 2.1 27 mg mg sz sz sz sz
+
+
+
+#auto_equivalence cvff_auto
+
+! Equivalences
+! -----------------------------------------
+!Ver Ref Type NonB Bond Bond Angle Angle Torsion Torsion OOP OOP
+! Inct End atom Apex atom End Atoms Center Atoms End Atom Center Atom
+!---- --- ---- ---- ------ ---- ---------- --------- --------- ----------- -------- -----------
+ 2.0 18 h h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 d h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hc h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hp h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hs h hs h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hn hn hn h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hi hn hn h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 h+ hn hn h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 ho hn ho h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 h* h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.3 25 hspc hspc hspc h_ h_ h_ h_ h_ h_ h_
+ 2.3 25 htip htip htip h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hw h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 dw h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 lp h lp h_ h_ h_ h_ h_ h_ h_
+ 2.0 24 c cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 24 co cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 24 c3m cg c c3m_ c3m_ c3m_ c_ c_ c_ c_
+ 2.0 24 c4m cg c c4m_ c4m_ c4m_ c_ c_ c_ c_
+ 2.0 18 coh cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 c3h cg c c3m_ c3m_ c3m_ c_ c_ c_ c_
+ 2.0 18 c4h cg c c4m_ c4m_ c4m_ c_ c_ c_ c_
+ 2.0 18 cg cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 ca cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 cn cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 c3 cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 c2 cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 c1 cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 ci c' ci ci_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 21 c* c' c' c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 18 c" c' c' c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 18 c' c' c' c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 18 cp c' cp cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 18 c5 c' c5 cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 18 cs c' cs cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 18 cr c' cr cr_ c_ c'_ c_ c=_3 c_ c'_
+ 2.0 18 c+ c' cr cr_ c_ c'_ c_ c+_ c_ c'_
+ 2.0 18 c- c' c' c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 18 c= c' c= c=_3 c_ c=_ c_ c=_3 c_ c=_
+ 2.0 19 c=1 c' c= c=_1 c_ c=_ c_ c=_1 c_ c=_
+ 2.0 19 c=2 c' c= c=_2 c_ c=_ c_ c=_2 c_ c=_
+ 2.0 18 ct c' ct ct_ c_ ct_ c_ ct_ c_ ct_
+ 2.0 18 na n n3 na_ n_ na_ n_ na_ n_ na_
+ 2.0 18 n3 n n3 na_ n_ na_ n_ na_ n_ na_
+ 2.0 18 n3m n n3 n3m_ n3m_ n3m_ n_ na_ n_ na_
+ 2.0 18 n4m n n3 n4m_ n4m_ n4m_ n_ na_ n_ na_
+ 2.0 18 np n np np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 npc n np np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 nh n np np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 nho n np np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 nh+ n nh+ np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 ni n ni np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 nn n n3 na_ n_ n_ n_ n_ n_ n_
+ 2.0 18 nb n n3 np_ n_ n_ n_ n_ n_ n_
+ 2.0 18 n+ n n4 n+_ n_ na_ n_ na_ n_ na_
+ 2.0 18 n4 n n4 n+_ n_ na_ n_ na_ n_ na_
+ 2.0 18 n n n n_ n_ n_ n_ n_ n_ n_
+ 2.3 23 no n n n_ n_ n_ n_ n_ n_ n_
+ 2.0 18 n3n n n n3m_ n3m_ n3m_ n_ n3n_ n_ n_
+ 2.0 18 n4n n n n4m_ n4m_ n4m_ n_ n_ n_ n_
+ 2.0 18 nr n n2 n_ n_ n_ n_ n_ n_ n_
+ 2.0 18 n2 n n2 n_ n_ n_ n_ n_ n_ n_
+ 2.0 18 n1 n n1 n_ n_ n_ n_ n_ n_ n_
+ 2.0 18 n= n n= n=_3 n_ n_ n_ n=_3 n_ n=_
+ 2.0 19 n=1 n n= n=_1 n_ n_ n_ n=_1 n_ n=_
+ 2.0 19 n=2 n n= n=_2 n_ n_ n_ n=_2 n_ n=_
+ 2.0 18 nt n nt nt_ n_ nt_ n_ nt_ n_ nt_
+ 2.0 18 nz n nz nz_ n_ nz_ n_ nz_ n_ nz_
+ 2.0 18 o o' o o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 oz oz oz o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 o* o* o* o_ o_ o*_ o_ o_ o_ o_
+ 2.3 25 otip otip otip o_ o_ o*_ o_ o_ o_ o_
+ 2.3 25 ospc ospc ospc o_ o_ o*_ o_ o_ o_ o_
+ 2.0 18 oh o' oh o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 oc o' o o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 oe o' o o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 o3e o' o o3e_ o3e_ o3e_ o_ o_ o_ o_
+ 2.0 18 o4e o' o o4e_ o4e_ o4e_ o_ o_ o_ o_
+ 2.0 18 op o' op op_ o_ op_ o_ o_ o_ op_
+ 2.0 18 o' o' o' o'_ o'_ o_ o_ o_ o_ o_
+ 2.0 18 of o' oh o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 o- o' o- o-_ o'_ o_ o_ o_ o_ o_
+ 2.0 18 s s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 18 s' s' s' s'_ s'_ s_ s_ s_ s_ s_
+ 2.0 18 s- s' s- s-_ s'_ s_ s_ s_ s_ s_
+ 2.0 18 sc s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 18 s3e s s s3e_ s3e_ s3e_ s_ s_ s_ s_
+ 2.0 18 s4e s s s4e_ s4e_ s4e_ s_ s_ s_ s_
+ 2.0 18 s1 s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 18 sh s sh s_ s_ s_ s_ s_ s_ s_
+ 2.0 18 sp s' sp sp_ s_ sp_ s_ sp_ s_ sp_
+ 2.0 18 p p p p_ p_ p_ p_ p_ p_ p_
+ 2.0 18 pz p p p_ p_ p_ p_ p_ p_ p_
+ 2.0 18 ca+ ca+ ca+ ca+_ ca+_ ca+_ ca+_ ca+_ ca+_ ca+_
+ 2.0 18 f f f f_ f_ f_ f_ f_ f_ f_
+ 2.0 18 i i i i_ f_ i_ i_ i_ i_ i_
+ 2.0 18 cl cl cl cl_ f_ cl_ c_ cl_ cl_ cl_
+ 2.0 18 br br br br_ f_ br_ br_ br_ br_ br_
+ 2.0 18 si si si si_ si_ si_ si_ si_ si_ si_
+ 2.0 18 sz sz sz sz si_ si_ si_ si_ si_ si_
+ 2.0 18 nu nu nu nu_ nu_ nu_ nu_ nu_ nu_ nu_
+ 2.0 18 Cl Cl Cl Cl_ Cl_ Cl_ Cl_ Cl_ Cl_ Cl_
+ 2.0 18 Br Br Br Br_ Br_ Br_ Br_ Br_ Br_ Br_
+ 2.0 18 Na Na Na Na_ Na_ Na_ Na_ Na_ Na_ Na_
+ 2.0 18 ar ar ar ar_ ar_ ar_ ar_ ar_ ar_ ar_
+ 2.4 30 he he he he_ he_ he_ he_ he_ he_ he_
+ 2.1 26 az si az az_ si_ si_ si_ si_ si_ si_
+ 2.1 26 al si az az_ si_ si_ si_ si_ si_ si_
+ 2.1 26 mg mg si si_ si_ si_ si_ si_ si_ si_
+ 2.1 27 Al Al Al c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Pb Pb Pb c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Pt Pt Pt c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Pd Pd Pd c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Au Au Au c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Ag Ag Ag c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Sn Sn Sn c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Li Li Li c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Mo Mo Mo c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Fe Fe Fe c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 W W W c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Ni Ni Ni c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Cr Cr Cr c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Cu Cu Cu c_ c_ c_ c_ c_ c_ c_
+
+
+
+
+#hbond_definition cvff
+
+ 1.0 1 distance 2.5000
+ 1.0 1 angle 90.0000
+ 1.0 1 donors hn h* hspc htip
+ 1.0 1 acceptors o' o o* ospc otip
+
+#morse_bond cvff
+
+> E = D * (1 - exp(-ALPHA*(R - R0)))^2
+
+!Ver Ref I J R0 D ALPHA
+!---- --- ---- ---- ------- -------- -------
+ 2.3 23 no o- 1.2178 140.2486 2.0000
+ 2.3 23 no cp 1.4720 87.8132 2.0000
+ 2.3 23 c' cp 1.4720 87.8132 2.0000
+ 1.0 1 c o 1.4250 68.3000 2.0000
+ 1.0 1 c h 1.1050 108.6000 1.7710
+ 1.0 1 c c 1.5260 88.0000 1.9150
+ 1.0 1 c c' 1.5200 76.0000 1.9300
+ 1.0 1 c' o' 1.2300 145.0000 2.0600
+ 1.0 1 n hn 1.0260 93.0000 2.2800
+ 1.0 1 n lp 1.0260 93.0000 2.2800
+ 1.0 1 n c' 1.3200 97.0000 2.0000
+ 1.0 1 n cr 1.3200 97.0000 2.0000
+ 1.0 1 c n 1.4600 72.0000 2.2900
+ 1.0 1 n1 cr 1.3200 97.0000 2.0000
+ 1.0 1 n1 hn 1.0260 93.0000 2.2800
+ 1.0 1 n1 lp 1.0260 93.0000 2.2800
+ 1.0 1 c n1 1.4600 72.0000 2.2900
+ 1.0 1 oh ho 0.9600 104.0000 2.2800
+ 1.0 1 oh lp 0.9600 104.0000 2.2800
+ 1.0 1 oh c 1.4200 96.0000 2.0000
+ 1.0 1 o ho 0.9600 95.0000 2.2800
+ 1.0 1 o lp 0.9600 95.0000 2.2800
+ 1.0 1 c' h 1.1050 108.6000 1.7710
+ 1.0 1 c' o 1.3700 100.0000 2.0000
+ 1.0 1 c' oh 1.3700 100.0000 2.0000
+ 1.0 1 c' o- 1.2500 135.0000 2.0000
+ 1.0 1 cp h 1.0800 116.0000 1.7700
+ 1.0 1 cp cp 1.3400 120.0000 2.0000
+ 1.0 1 cp c 1.5100 76.0000 1.9300
+ 1.0 1 cp oh 1.3700 96.0000 2.0000
+ 1.0 1 sh hs 1.3300 87.5000 1.7700
+ 1.0 1 sh lp 1.3300 87.5000 1.7700
+ 1.0 1 c sh 1.8200 57.0000 2.0000
+ 1.0 1 c s 1.8000 57.0000 2.0000
+ 1.0 1 c s1 1.8000 57.0000 2.0000
+ 1.0 1 s s 2.0000 45.0000 2.0000
+ 1.0 1 s1 s1 2.0000 45.0000 2.0000
+ 1.0 1 n2 hn 1.0260 88.0000 2.2800
+ 1.0 1 n2 lp 1.0260 88.0000 2.2800
+ 1.0 1 c n2 1.4700 68.0000 2.2900
+ 1.0 1 n2 c' 1.3200 97.0000 2.0000
+ 1.0 1 n2 cr 1.3200 97.0000 2.0000
+ 1.0 1 n2 cp 1.3200 97.0000 2.0000
+ 1.0 1 n3 hn 1.0260 88.0000 2.2800
+ 1.0 1 n3 lp 1.0260 88.0000 2.2800
+ 1.0 1 c n3 1.4700 68.0000 2.2900
+ 1.0 1 n4 hn 1.0260 88.0000 2.2800
+ 1.0 1 n4 lp 1.0260 88.0000 2.2800
+ 1.0 1 c n4 1.4700 68.0000 2.2900
+ 1.0 1 cp np 1.2600 140.0000 2.0000
+ 1.0 1 np hn 1.0260 93.0000 2.2800
+ 1.0 1 np lp 1.0260 93.0000 2.2800
+ 1.0 1 cp c5 1.3400 70.0000 2.0000
+ 1.0 1 c5 h 1.0800 116.0000 1.7700
+ 1.0 1 c5 c5 1.3900 70.0000 2.0000
+ 1.0 1 c5 c 1.5100 76.0000 1.9300
+ 1.0 1 c5 np 1.3800 80.0000 2.0000
+ 1.2 3 c5 o 1.3700 105.0000 2.0000
+ 1.3 8 c5 op 1.3700 105.0000 2.0000
+ 1.2 3 c5 s 1.7300 57.0000 2.0000
+ 1.3 6 cs h 1.0800 121.0000 1.7700
+ 1.3 6 cs c5 1.3630 100.0000 2.0000
+ 1.3 6 sp cs 1.7106 80.0000 2.0000
+ 1.0 1 ci h 1.0800 116.0000 1.7700
+ 1.0 1 ci ci 1.3900 70.0000 2.0000
+ 1.0 1 ci c 1.5100 76.0000 1.9300
+ 1.0 1 ci ni 1.3800 80.0000 2.0000
+ 1.0 1 ni hn 1.0260 93.0000 2.2800
+ 1.0 1 ni lp 1.0260 93.0000 2.2800
+ 1.0 1 cp n 1.4200 70.0000 2.0000
+ 1.0 1 o* h* 0.9600 104.0000 2.2800
+ 2.3 25 ospc hspc 1.0000 104.0000 2.2800
+ 2.3 25 otip htip 0.9570 104.0000 2.2800
+ 1.0 1 o* lp 0.9600 104.0000 2.2800
+ 1.0 1 p oh 1.5700 75.0000 2.0000
+ 1.0 1 p o' 1.5300 140.0000 2.0000
+ 1.0 1 p o 1.6100 61.3000 2.0000
+ 1.0 1 p o- 1.5300 120.0000 2.0000
+ 1.0 1 p h 1.5000 56.0000 2.0000
+ 1.0 1 p lp 1.5000 56.0000 2.0000
+ 1.0 1 np c 1.4750 84.2000 2.0000
+ 1.0 1 n= c 1.4750 84.2000 2.0000
+ 2.0 19 n=1 c 1.4750 84.2000 2.0000
+ 2.0 19 n=2 c 1.4750 84.2000 2.0000
+ 1.0 1 c= n= 1.2600 140.0000 2.0000
+ 2.0 19 c= n=1 1.2600 140.0000 2.0000
+ 2.0 19 c=1 n= 1.2600 140.0000 2.0000
+ 1.0 1 cr n= 1.2600 140.0000 2.0000
+ 2.0 19 cr n=1 1.2600 140.0000 2.0000
+ 2.0 19 cr n=2 1.2600 140.0000 2.0000
+ 1.0 1 c= c' 1.5000 80.7000 2.0000
+ 2.0 19 c=1 c' 1.5000 80.7000 2.0000
+ 2.0 19 c=2 c' 1.5000 80.7000 2.0000
+ 1.0 1 c= c 1.5000 80.7000 2.0000
+ 2.0 19 c=1 c 1.5000 80.7000 2.0000
+ 2.0 19 c=2 c 1.5000 80.7000 2.0000
+ 1.0 1 c= c= 1.3300 163.8000 2.0000
+ 2.0 19 c= c=1 1.3300 163.8000 2.0000
+ 1.0 1 c= h 1.0900 90.4000 2.0000
+ 2.0 19 c=1 h 1.0900 90.4000 2.0000
+ 2.0 19 c=2 h 1.0900 90.4000 2.0000
+ 1.0 1 f c 1.3630 124.0000 2.0000
+ 1.0 1 f lp 1.3630 124.0000 2.0000
+ 1.0 1 cl c 1.7610 78.5000 2.0000
+ 1.0 1 cl lp 1.7610 78.5000 2.0000
+ 1.0 1 br c 1.9200 55.9000 2.0000
+ 1.0 1 br lp 1.9200 55.9000 2.0000
+ 1.0 1 f cp 1.3630 124.0000 2.0000
+ 1.0 1 cl cp 1.7610 78.5000 2.0000
+ 1.0 1 br cp 1.9200 55.9000 2.0000
+ 1.0 1 si c 1.8090 59.5000 2.0000
+ 1.0 1 si h 1.3820 55.6000 2.0000
+ 1.0 1 si o 1.6650 98.2000 2.0000
+ 1.3 4 h h 0.74611 104.207 1.9561
+ 1.3 4 d d 0.74164 106.010 1.9382
+ 1.3 4 f f 1.417 37.5 2.6284
+ 1.3 4 cl cl 1.988 58.066 2.0183
+ 1.3 4 br br 2.290 46.336 1.9469
+ 1.3 4 i i 2.662 36.46 1.8383
+ 1.3 4 o o 1.208 118.86 2.6484
+ 1.3 4 nz nz 1.09758 226.8 2.6829
+ 1.3 5 nt nt 1.09758 226.8 2.6829
+ 1.3 7 c' s' 1.6110 169.3000 1.7361
+ 1.8 14 oz ho 0.9600 104.0000 2.2800
+ 1.0 1 sz o 1.6150 98.2000 2.0000
+ 1.8 14 sz oz 1.6150 98.2000 2.0000
+ 1.8 14 sz oh 1.6350 98.2000 2.0000
+ 1.8 14 sz h 1.3820 55.6000 2.0000
+ 1.0 1 sz c 1.8090 59.5000 2.0000
+ 2.1 26 al c 1.8090 59.5000 2.0000
+ 2.1 26 al h 1.3820 55.6000 2.0000
+ 2.1 26 al o 1.7750 98.2000 2.0000
+ 2.1 26 al oz 1.7750 98.2000 2.0000
+ 2.1 26 az oz 1.7750 98.2000 2.0000
+ 2.1 26 az oh 1.7750 98.2000 2.0000
+ 2.1 26 az h 1.3820 55.6000 2.0000
+ 2.1 26 az c 1.8090 59.5000 2.0000
+ 2.1 26 az o 1.7750 98.2000 2.0000
+ 2.1 28 sz sz 3.0900 392.8000 2.0000
+ 2.1 28 sz az 3.0900 392.8000 2.0000
+ 2.1 28 si al 3.0900 392.8000 2.0000
+ 2.1 28 az az 3.0900 392.8000 2.0000
+
+
+
+#quadratic_bond cvff
+
+> E = K2 * (R - R0)^2
+
+!Ver Ref I J R0 K2
+!---- --- ---- ---- ------- --------
+ 2.3 23 no o- 1.2178 560.9942
+ 2.3 23 no cp 1.4720 351.2527
+ 2.3 23 c' cp 1.4720 351.2527
+ 1.0 1 c o 1.4250 273.2000
+ 1.0 1 c h 1.1050 340.6175
+ 1.0 1 c c 1.5260 322.7158
+ 1.0 1 c c' 1.5200 283.0924
+ 1.0 1 c' o' 1.2300 615.3220
+ 1.0 1 n hn 1.0260 483.4512
+ 1.0 1 n lp 1.0260 483.4512
+ 1.0 1 n c' 1.3200 388.0000
+ 1.0 1 n cr 1.3200 388.0000
+ 1.0 1 c n 1.4600 377.5752
+ 1.0 1 n1 cr 1.3200 388.0000
+ 1.0 1 n1 hn 1.0260 483.4512
+ 1.0 1 n1 lp 1.0260 483.4512
+ 1.0 1 c n1 1.4600 377.5752
+ 1.0 1 oh ho 0.9600 540.6336
+ 1.0 1 oh lp 0.9600 540.6336
+ 1.0 1 oh c 1.4200 384.0000
+ 1.0 1 o ho 0.9600 493.8480
+ 1.0 1 o lp 0.9600 493.8480
+ 1.0 1 c' h 1.1050 340.6175
+ 1.0 1 c' o 1.3700 400.0000
+ 1.0 1 c' oh 1.3700 400.0000
+ 1.0 1 c' o- 1.2500 540.0000
+ 1.0 1 cp h 1.0800 363.4164
+ 1.0 1 cp cp 1.3400 480.0000
+ 1.0 1 cp c 1.5100 283.0924
+ 1.0 1 cp oh 1.3700 384.0000
+ 1.0 1 sh hs 1.3300 274.1288
+ 1.0 1 sh lp 1.3300 274.1288
+ 1.0 1 c sh 1.8200 228.0000
+ 1.0 1 c s 1.8000 228.0000
+ 1.0 1 c s1 1.8000 228.0000
+ 1.0 1 s s 2.0000 180.0000
+ 1.0 1 s1 s1 2.0000 180.0000
+ 1.0 1 n2 hn 1.0260 457.4592
+ 1.0 1 n2 lp 1.0260 457.4592
+ 1.0 1 c n2 1.4700 356.5988
+ 1.0 1 n2 c' 1.3200 388.0000
+ 1.0 1 n2 cr 1.3200 388.0000
+ 1.0 1 n2 cp 1.3200 388.0000
+ 1.0 1 n3 hn 1.0260 457.4592
+ 1.0 1 n3 lp 1.0260 457.4592
+ 1.0 1 c n3 1.4700 356.5988
+ 1.0 1 n4 hn 1.0260 457.4592
+ 1.0 1 n4 lp 1.0260 457.4592
+ 1.0 1 c n4 1.4700 356.5988
+ 1.0 1 cp np 1.2600 560.0000
+ 1.0 1 np hn 1.0260 483.4512
+ 1.0 1 np lp 1.0260 483.4512
+ 1.0 1 cp c5 1.3400 280.0000
+ 1.0 1 c5 h 1.0800 363.4164
+ 1.0 1 c5 c5 1.3900 280.0000
+ 1.0 1 c5 c 1.5100 283.0924
+ 1.0 1 c5 np 1.3800 320.0000
+ 1.2 3 c5 o 1.3700 420.0000
+ 1.3 8 c5 op 1.3700 420.0000
+ 1.2 3 c5 s 1.7300 228.0000
+ 1.3 6 cs h 1.0800 379.0809
+ 1.3 6 cs c5 1.3630 400.0000
+ 1.3 6 sp cs 1.7106 320.0000
+ 1.0 1 ci h 1.0800 363.4164
+ 1.0 1 ci ci 1.3900 280.0000
+ 1.0 1 ci c 1.5100 283.0924
+ 1.0 1 ci ni 1.3800 320.0000
+ 1.0 1 ni hn 1.0260 483.4512
+ 1.0 1 ni lp 1.0260 483.4512
+ 1.0 1 cp n 1.4200 280.0000
+ 1.0 1 o* h* 0.9600 540.6336
+ 2.3 25 ospc hspc 1.0000 540.6336
+ 2.3 25 otip htip 0.9570 540.6336
+ 1.0 1 o* lp 0.9600 540.6336
+ 1.0 1 p oh 1.5700 300.0000
+ 1.0 1 p o' 1.5300 560.0000
+ 1.0 1 p o 1.6100 245.2000
+ 1.0 1 p o- 1.5300 480.0000
+ 1.0 1 p h 1.5000 224.0000
+ 1.0 1 p lp 1.5000 224.0000
+ 1.0 1 np c 1.4750 336.8000
+ 1.0 1 n= c 1.4750 336.8000
+ 2.0 19 n=1 c 1.4750 336.8000
+ 2.0 19 n=2 c 1.4750 336.8000
+ 1.0 1 c= n= 1.2600 560.0000
+ 2.0 19 c= n=1 1.2600 560.0000
+ 2.0 19 c=1 n= 1.2600 560.0000
+ 1.0 1 cr n= 1.2600 560.0000
+ 2.0 19 cr n=1 1.2600 560.0000
+ 2.0 19 cr n=2 1.2600 560.0000
+ 1.0 1 c= c' 1.5000 322.8000
+ 2.0 19 c=1 c' 1.5000 322.8000
+ 2.0 19 c=2 c' 1.5000 322.8000
+ 1.0 1 c= c 1.5000 322.8000
+ 2.0 19 c=1 c 1.5000 322.8000
+ 2.0 19 c=2 c 1.5000 322.8000
+ 1.0 1 c= c= 1.3300 655.2000
+ 2.0 19 c=1 c= 1.3300 655.2000
+ 1.0 1 c= h 1.0900 361.6000
+ 2.0 19 c=1 h 1.0900 361.6000
+ 2.0 19 c=2 h 1.0900 361.6000
+ 1.0 1 f c 1.3630 496.0000
+ 1.0 1 f lp 1.3630 496.0000
+ 1.0 1 cl c 1.7610 314.0000
+ 1.0 1 cl lp 1.7610 314.0000
+ 1.0 1 br c 1.9200 223.6000
+ 1.0 1 br lp 1.9200 223.6000
+ 1.0 1 f cp 1.3630 496.0000
+ 1.0 1 cl cp 1.7610 314.0000
+ 1.0 1 br cp 1.9200 223.6000
+ 1.0 1 si c 1.8090 238.0000
+ 1.0 1 si h 1.3820 222.4000
+ 1.0 1 si o 1.6650 392.8000
+ 1.3 4 h h 0.74611 398.7500
+ 1.3 4 d d 0.74164 398.2400
+ 1.3 4 f f 1.417 259.0700
+ 1.3 4 cl cl 1.988 236.5500
+ 1.3 4 br br 2.290 175.6400
+ 1.3 4 i i 2.662 123.2100
+ 1.3 4 o o 1.208 833.7200
+ 1.3 4 nz nz 1.09758 1632.5100
+ 1.3 5 nt nt 1.09758 1632.5100
+ 1.3 7 c' s' 1.6110 510.2775
+ 1.0 1 sz c 1.8090 238.0000
+ 1.8 14 sz o 1.6150 392.8000
+ 1.8 14 sz oz 1.6150 392.8000
+ 1.8 14 sz oh 1.6350 392.8000
+ 1.8 14 sz h 1.3820 222.4000
+ 1.8 14 oz ho 0.9600 540.6336
+ 2.1 26 al c 1.8090 392.8000
+ 2.1 26 al h 1.3820 392.8000
+ 2.1 26 al o 1.7750 392.8000
+ 2.1 26 al oz 1.7750 392.8000
+ 2.1 26 az c 1.8090 392.8000
+ 2.1 26 az o 1.7750 392.8000
+ 2.1 26 az oz 1.7750 392.8000
+ 2.1 26 az oh 1.7750 392.8000
+ 2.1 26 az h 1.3820 392.8000
+ 2.1 28 sz f 1.6650 392.8000
+ 2.1 28 sz sz 3.0900 392.8000
+ 2.1 28 sz az 3.0900 392.8000
+ 2.1 28 az az 3.0900 392.8000
+ 2.1 28 sz al 3.0900 392.8000
+ 2.1 28 si al 3.0900 392.8000
+
+
+#quadratic_angle cvff
+
+> E = K2 * (Theta - Theta0)^2
+
+!Ver Ref I J K Theta0 K2
+!---- --- ---- ---- ---- -------- -------
+ 2.3 23 cp cp c' 120.0000 34.6799
+ 2.3 23 cp c' o 120.0000 54.4949
+ 2.3 23 cp c' o' 120.0000 54.4949
+ 2.3 23 cp cp no 120.0000 34.6799
+ 2.3 23 cp no o- 120.0000 54.4949
+ 2.3 23 o- no o- 120.0000 113.5731
+ 1.0 1 c o c' 109.5000 60.0000
+ 1.0 1 h c h 106.4000 39.5000
+ 1.0 1 h c c 110.0000 44.4000
+ 1.0 1 c c c 110.5000 46.6000
+ 1.0 1 c c' o' 120.0000 68.0000
+ 1.0 1 h c c' 109.5000 45.0000
+ 1.0 1 c c c' 110.5000 46.6000
+ 1.0 1 c' n hn 115.0000 37.5000
+ 1.0 1 c' n c 118.0000 111.0000
+ 1.0 1 hn n c 122.0000 35.0000
+ 1.0 1 n c c 109.5000 50.0000
+ 1.0 1 n c h 109.5000 51.5000
+ 1.0 1 n c c' 109.5000 50.0000
+ 1.0 1 c c' n 114.1000 53.5000
+ 1.0 1 o' c' n 120.0000 68.0000
+ 1.0 1 c o ho 106.0000 58.5000
+ 1.0 1 o c h 109.5000 57.0000
+ 1.0 1 c c o 109.5000 70.0000
+ 1.0 1 o c o 109.5000 70.0000
+ 1.0 1 hn n hn 125.0000 33.0000
+ 1.0 1 o' c' o 123.0000 145.0000
+ 1.0 1 c c' o 110.0000 122.8000
+ 1.0 1 c' o ho 112.0000 50.0000
+ 1.0 1 h c' o 110.0000 55.0000
+ 1.0 1 h c' o' 120.0000 55.0000
+ 1.0 1 o- c' o- 123.0000 145.0000
+ 1.0 1 c c' o- 120.0000 68.0000
+ 1.0 1 h c' o- 120.0000 55.0000
+ 1.0 1 c n c 120.0000 37.0000
+ 1.0 1 h c' n 120.0000 45.0000
+ 1.0 1 cp cp h 120.0000 37.0000
+ 1.0 1 cp cp cp 120.0000 90.0000
+ 1.0 1 h c cp 110.0000 44.4000
+ 1.0 1 c cp cp 120.0000 44.2000
+ 1.0 1 c c cp 110.5000 46.6000
+ 1.0 1 cp o ho 109.0000 50.0000
+ 1.0 1 o cp cp 120.0000 60.0000
+ 1.0 1 c sh hs 96.0000 48.0000
+ 1.0 1 h c sh 109.0000 45.0000
+ 1.0 1 h c s 109.0000 45.0000
+ 1.0 1 c c sh 109.0000 62.0000
+ 1.0 1 c c s 109.0000 62.0000
+ 1.0 1 c s c 99.0000 58.0000
+ 1.0 1 c s s 109.5000 75.0000
+ 1.0 1 h c n3 109.5000 57.3000
+ 1.0 1 hn n3 hn 105.5000 36.0000
+ 1.0 1 c n3 c 112.0000 86.3000
+ 1.0 1 c n3 hn 110.0000 41.6000
+ 1.0 1 c c n3 109.5000 50.0000
+ 1.0 1 np cp np 134.0000 102.0000
+ 1.0 1 cp cp np 120.0000 90.0000
+ 1.0 1 h cp np 120.0000 50.0000
+ 1.0 1 cp np cp 114.0000 75.1000
+ 1.0 1 cp np hn 120.0000 27.5000
+ 1.0 1 h cp c5 120.0000 37.0000
+ 1.0 1 cp cp c5 120.0000 90.0000
+ 1.0 1 cp c5 c5 120.0000 90.0000
+ 1.0 1 c5 c5 h 120.0000 37.0000
+ 1.0 1 c5 c5 c5 120.0000 90.0000
+ 1.0 1 h c c5 110.0000 44.4000
+ 1.0 1 c c5 c5 120.0000 44.2000
+ 1.0 1 c c c5 110.5000 46.6000
+ 1.0 1 np c5 np 134.0000 102.0000
+ 1.0 1 c5 c5 np 120.0000 90.0000
+ 1.0 1 cp c5 np 120.0000 90.0000
+ 1.0 1 h c5 np 120.0000 40.0000
+ 1.0 1 c5 np c5 114.0000 75.1000
+ 1.0 1 c5 np hn 120.0000 27.5000
+ 1.0 1 c c5 np 120.0000 50.0000
+ 1.0 1 n c' n 120.0000 102.0000
+ 1.0 1 cp o c 109.5000 50.0000
+ 1.0 1 np cp n 120.0000 102.0000
+ 1.0 1 cp cp n 120.0000 102.0000
+ 1.0 1 hn n cp 115.0000 37.5000
+ 1.0 1 n3 c c' 109.5000 50.0000
+ 1.0 1 cp c cp 110.5000 46.6000
+ 1.0 1 c o c 109.5000 60.0000
+ 1.0 1 h* o* h* 104.5000 50.0000
+ 2.3 25 hspc ospc hspc 109.4700 50.0000
+ 2.3 25 htip otip htip 104.5200 50.0000
+ 1.0 1 p o c 120.0000 72.0000
+ 1.0 1 p o p 120.0000 72.0000
+ 1.0 1 o p o 109.5000 110.0000
+ 1.0 1 o' p o 109.5000 110.0000
+ 1.0 1 o' p o' 109.5000 110.0000
+ 1.0 1 o- p o- 109.5000 110.0000
+ 1.0 1 o p o- 109.5000 110.0000
+ 1.0 1 h p o- 109.5000 80.0000
+ 1.0 1 c5 np c 128.8000 70.0000
+ 1.0 1 np c o 109.5000 80.0000
+ 1.0 1 np c h 109.5000 80.0000
+ 1.0 1 np c c 109.5000 80.0000
+ 1.0 1 c= c' n 114.1000 53.5000
+ 2.0 19 c=1 c' n 114.1000 53.5000
+ 2.0 19 c=2 c' n 114.1000 53.5000
+ 1.0 1 c' c= c= 122.3000 36.2000
+ 2.0 19 c' c=1 c= 122.3000 36.2000
+ 2.0 19 c' c=2 c= 122.3000 36.2000
+ 2.0 19 c' c= c=1 122.3000 36.2000
+ 2.0 19 c' c=1 c=1 122.3000 36.2000
+ 2.0 19 c' c=2 c=1 122.3000 36.2000
+ 2.0 19 c' c= c=2 122.3000 36.2000
+ 2.0 19 c' c=1 c=2 122.3000 36.2000
+ 2.0 19 c' c=2 c=2 122.3000 36.2000
+ 1.0 1 c c= c= 122.3000 36.2000
+ 2.0 19 c c=1 c= 122.3000 36.2000
+ 2.0 19 c c=2 c= 122.3000 36.2000
+ 2.0 19 c c= c=1 122.3000 36.2000
+ 2.0 19 c c=1 c=1 122.3000 36.2000
+ 2.0 19 c c=2 c=1 122.3000 36.2000
+ 2.0 19 c c= c=2 122.3000 36.2000
+ 2.0 19 c c=1 c=2 122.3000 36.2000
+ 2.0 19 c c=2 c=2 122.3000 36.2000
+ 1.0 1 c c= h 120.0000 37.5000
+ 2.0 19 c c=1 h 120.0000 37.5000
+ 2.0 19 c c=2 h 120.0000 37.5000
+ 1.0 1 c= c c= 110.5000 46.6000
+ 2.0 19 c=1 c c= 110.5000 46.6000
+ 2.0 19 c=2 c c= 110.5000 46.6000
+ 2.0 19 c=1 c c=1 110.5000 46.6000
+ 2.0 19 c=1 c c=2 110.5000 46.6000
+ 2.0 19 c=2 c c=2 110.5000 46.6000
+ 1.0 1 c' c c= 110.5000 46.6000
+ 2.0 19 c' c c=1 110.5000 46.6000
+ 2.0 19 c' c c=2 110.5000 46.6000
+ 1.0 1 h c c= 110.0000 44.4000
+ 2.0 19 h c c=1 110.0000 44.4000
+ 2.0 19 h c c=2 110.0000 44.4000
+ 1.0 1 c= c= h 121.2000 33.8000
+ 2.0 19 c=1 c= h 121.2000 33.8000
+ 2.0 19 c=2 c= h 121.2000 33.8000
+ 2.0 19 c= c=1 h 121.2000 33.8000
+ 2.0 19 c=1 c=1 h 121.2000 33.8000
+ 2.0 19 c=2 c=1 h 121.2000 33.8000
+ 2.0 19 c= c=2 h 121.2000 33.8000
+ 2.0 19 c=1 c=2 h 121.2000 33.8000
+ 2.0 19 c=2 c=2 h 121.2000 33.8000
+ 1.0 1 c= c= np 120.0000 90.0000
+ 2.0 19 c=1 c= np 120.0000 90.0000
+ 2.0 19 c=2 c= np 120.0000 90.0000
+ 2.0 19 c= c=1 np 120.0000 90.0000
+ 2.0 19 c=1 c=1 np 120.0000 90.0000
+ 2.0 19 c=2 c=1 np 120.0000 90.0000
+ 2.0 19 c= c=2 np 120.0000 90.0000
+ 2.0 19 c=1 c=2 np 120.0000 90.0000
+ 2.0 19 c=2 c=2 np 120.0000 90.0000
+ 1.0 1 c= np c= 114.0000 75.1000
+ 2.0 19 c=1 np c= 114.0000 75.1000
+ 2.0 19 c=2 np c= 114.0000 75.1000
+ 2.0 19 c=1 np c=1 114.0000 75.1000
+ 2.0 19 c=1 np c=2 114.0000 75.1000
+ 2.0 19 c=2 np c=2 114.0000 75.1000
+ 1.0 1 o' c' c= 120.0000 50.0000
+ 2.0 19 o' c' c=1 120.0000 50.0000
+ 2.0 19 o' c' c=2 120.0000 50.0000
+ 1.0 1 c c= c' 120.0000 50.0000
+ 2.0 19 c c=1 c' 120.0000 50.0000
+ 2.0 19 c c=2 c' 120.0000 50.0000
+ 1.0 1 h c= np 120.0000 40.0000
+ 2.0 19 h c=1 np 120.0000 40.0000
+ 2.0 19 h c=2 np 120.0000 40.0000
+ 1.0 1 c np c= 120.0000 50.0000
+ 2.0 19 c np c=1 120.0000 50.0000
+ 2.0 19 c np c=2 120.0000 50.0000
+ 1.0 1 cp np c5 114.0000 75.1000
+ 1.0 1 c5 cp np 120.0000 90.0000
+ 1.0 1 c5 cp n 120.0000 102.0000
+ 1.0 1 f c c 107.8000 99.0000
+ 1.0 1 f c h 107.1000 62.0000
+ 1.0 1 cl c c 107.8000 85.0000
+ 1.0 1 cl c h 107.1000 67.0000
+ 1.0 1 br c c 107.8000 96.0000
+ 1.0 1 br c h 107.1000 56.0000
+ 1.0 1 f cp cp 120.0000 99.0000
+ 1.0 1 cl cp cp 120.0000 85.0000
+ 1.0 1 br cp cp 120.0000 96.0000
+ 1.0 1 si c h 112.3000 34.6000
+ 1.0 1 c si c 113.5000 44.4000
+ 1.0 1 c si h 109.1000 32.7000
+ 1.0 1 h si h 112.0000 31.8000
+ 1.0 1 si c si 122.5000 42.2000
+ 1.0 1 c si o 117.3000 44.1000
+ 1.0 1 o si h 113.4000 33.3000
+ 1.0 1 si o si 149.8000 31.1000
+ 1.0 1 o si o 113.1000 42.3000
+ 1.0 1 si o c 124.1000 56.4000
+ 1.3 5 nt nt cp 180.0 50.0
+ 1.3 5 nt nt c 180.0 50.0
+ 1.3 6 cs c5 c5 112.7000 70.0000
+ 1.3 6 cs c5 h 124.0000 30.0000
+ 1.3 6 c5 cs h 124.0000 30.0000
+ 1.3 6 cs sp cs 92.5670 126.5060
+ 1.3 6 sp cs c5 111.0390 88.7595
+ 1.3 6 sp cs h 119.9000 30.2723
+ 1.3 7 s' c' h 121.6300 40.9360
+ 1.3 7 h c' h 117.0200 26.3900
+ 1.3 7 c c' c 120.0000 40.0000
+ 1.3 7 s' c' c 120.0000 40.0000
+ 1.3 8 c5 op c5 120.0000 75.0000
+ 1.8 14 sz oz sz 149.8000 31.1000
+ 1.8 14 oz sz oz 109.4700 100.3000
+ 1.8 14 oz sz h 113.4000 33.3000
+ 1.8 14 sz oz ho 113.4000 33.3000
+ 1.8 14 az oz ho 113.4000 33.3000
+ 1.8 14 h sz h 112.0000 31.8000
+ 2.1 26 al oz al 149.8000 31.1000
+ 2.1 26 oz al oz 109.4700 100.3000
+ 2.1 26 oz al h 113.4000 33.3000
+ 2.1 26 h al h 112.0000 31.8000
+ 2.1 26 az oz az 149.8000 31.1000
+ 2.1 26 oz az oz 109.4700 100.3000
+ 2.1 26 oz az h 113.4000 33.3000
+ 2.1 26 h az h 112.0000 31.8000
+ 2.1 26 o al o 113.1000 42.3000
+ 2.1 26 o al h 113.4000 33.3000
+ 2.1 26 al oz sz 149.8000 31.1000
+ 2.1 26 o az o 109.4700 42.3000
+ 2.1 26 o az h 113.4000 33.3000
+ 2.1 28 f sz oz 113.1000 42.3000
+ 2.1 28 sz f sz 113.1000 42.3000
+ 2.1 28 f sz sz 113.1000 42.3000
+ 2.1 28 f sz f 113.1000 42.3000
+ 2.1 28 sz sz sz 109.4700 5.0000
+ 2.1 28 sz az sz 109.4700 5.0000
+ 2.1 28 az sz sz 109.4700 5.0000
+ 2.1 28 si si si 109.4700 5.0000
+ 2.1 28 si al si 109.4700 5.0000
+ 2.1 28 al si si 109.4700 5.0000
+
+
+#bond-bond cvff
+
+> E = K(b,b') * (R - R0) * (R' - R0')
+
+!Ver Ref I J K K(b,b')
+!---- --- ---- ---- ---- -------
+ 1.0 1 c o c' 0.0000
+ 1.0 1 h c h 0.0000
+ 1.0 1 h c c 0.0000
+ 1.0 1 c c c 28.5000
+ 1.0 1 c c' o' 25.0000
+ 1.0 1 h c c' 2.0000
+ 1.0 1 c c c' 28.5000
+ 1.0 1 c' n hn 2.0000
+ 1.0 1 c' n c 25.3000
+ 1.0 1 hn n c 2.0000
+ 1.0 1 n c c 25.0000
+ 1.0 1 n c h 2.0000
+ 1.0 1 n c c' 25.0000
+ 1.0 1 c c' n 45.9000
+ 1.0 1 o' c' n 10.0000
+ 1.0 1 c o ho 0.0000
+ 1.0 1 o c h 0.0000
+ 1.0 1 c c o 25.0000
+ 1.0 1 o c o 25.0000
+ 1.0 1 hn n hn 10.0000
+ 1.0 1 o' c' o 0.0000
+ 1.0 1 c c' o 0.0000
+ 1.0 1 c' o ho 0.0000
+ 1.0 1 h c' o 0.0000
+ 1.0 1 h c' o' 25.0000
+ 1.0 1 o- c' o- 50.0000
+ 1.0 1 c c' o- 50.0000
+ 1.0 1 h c' o- 50.0000
+ 1.0 1 c n c 50.0000
+ 1.0 1 h c' n 0.0000
+ 1.0 1 cp cp h -16.0000
+ 1.0 1 cp cp cp 45.0000
+ 1.0 1 h c cp 0.0000
+ 1.0 1 c cp cp 0.0000
+ 1.0 1 c c cp 28.5000
+ 1.0 1 cp o ho 0.0000
+ 1.0 1 o cp cp 50.0000
+ 1.0 1 c sh hs 0.0000
+ 1.0 1 h c sh 0.0000
+ 1.0 1 h c s 0.0000
+ 1.0 1 c c sh 2.0000
+ 1.0 1 c c s 2.0000
+ 1.0 1 c s c 0.0000
+ 1.0 1 c s s 0.0000
+ 1.0 1 h c n3 0.0000
+ 1.0 1 hn n3 hn 0.0000
+ 1.0 1 c n3 c 0.0000
+ 1.0 1 c n3 hn 0.0000
+ 1.0 1 c c n3 0.0000
+ 1.0 1 np cp np 0.0000
+ 1.0 1 cp cp np 0.0000
+ 1.0 1 h cp np 0.0000
+ 1.0 1 cp np cp 0.0000
+ 1.0 1 cp np hn 0.0000
+ 1.0 1 h cp c5 -16.0000
+ 1.0 1 cp cp c5 45.0000
+ 1.0 1 cp c5 c5 0.0000
+ 1.0 1 c5 c5 h -16.0000
+ 1.0 1 c5 c5 c5 0.0000
+ 1.0 1 h c c5 0.0000
+ 1.0 1 c c5 c5 0.0000
+ 1.0 1 c c c5 28.5000
+ 1.0 1 np c5 np 0.0000
+ 1.0 1 c5 c5 np 0.0000
+ 1.0 1 cp c5 np 0.0000
+ 1.0 1 h c5 np 0.0000
+ 1.0 1 c5 np c5 0.0000
+ 1.0 1 c5 np hn 0.0000
+ 1.0 1 c c5 np 0.0000
+ 1.0 1 n c' n 0.0000
+ 1.0 1 cp o c 0.0000
+ 1.0 1 np cp n 0.0000
+ 1.0 1 cp cp n 0.0000
+ 1.0 1 hn n cp 2.0000
+ 1.0 1 n3 c c' 25.0000
+ 1.0 1 cp c cp 28.5000
+ 1.0 1 c o c 0.0000
+ 1.0 1 h* o* h* -14.5000
+ 1.0 1 p o c 0.0000
+ 1.0 1 p o p 0.0000
+ 1.0 1 o p o 80.0000
+ 1.0 1 o' p o 40.0000
+ 1.0 1 o' p o' 40.0000
+ 1.0 1 o- p o- 40.0000
+ 1.0 1 o p o- 40.0000
+ 1.0 1 h p o- 0.0000
+ 1.0 1 c5 np c 0.0000
+ 1.0 1 np c o 0.0000
+ 1.0 1 np c h 0.0000
+ 1.0 1 np c c 0.0000
+ 1.0 1 c= c' n 45.9000
+ 2.0 19 c=1 c' n 45.9000
+ 2.0 19 c=2 c' n 45.9000
+ 1.0 1 c' c= c= 28.5000
+ 2.0 19 c' c=1 c= 28.5000
+ 2.0 19 c' c=2 c= 28.5000
+ 2.0 19 c' c= c=1 28.5000
+ 2.0 19 c' c=1 c=1 28.5000
+ 2.0 19 c' c=2 c=1 28.5000
+ 2.0 19 c' c= c=2 28.5000
+ 2.0 19 c' c=1 c=2 28.5000
+ 2.0 19 c' c=2 c=2 28.5000
+ 1.0 1 c c= c= 28.5000
+ 2.0 19 c c=1 c= 28.5000
+ 2.0 19 c c=2 c= 28.5000
+ 2.0 19 c c= c=1 28.5000
+ 2.0 19 c c=1 c=1 28.5000
+ 2.0 19 c c=2 c=1 28.5000
+ 2.0 19 c c= c=2 28.5000
+ 2.0 19 c c=1 c=2 28.5000
+ 2.0 19 c c=2 c=2 28.5000
+ 1.0 1 c c= h 0.0000
+ 2.0 19 c c=1 h 0.0000
+ 2.0 19 c c=2 h 0.0000
+ 1.0 1 c= c c= 28.5000
+ 2.0 19 c=1 c c= 28.5000
+ 2.0 19 c=2 c c= 28.5000
+ 2.0 19 c=1 c c=1 28.5000
+ 2.0 19 c=1 c c=2 28.5000
+ 2.0 19 c=2 c c=2 28.5000
+ 1.0 1 c' c c= 28.5000
+ 2.0 19 c' c c=1 28.5000
+ 2.0 19 c' c c=2 28.5000
+ 1.0 1 h c c= 0.0000
+ 2.0 19 h c c=1 0.0000
+ 2.0 19 h c c=2 0.0000
+ 1.0 1 c= c= h 0.0000
+ 2.0 19 c=1 c= h 0.0000
+ 2.0 19 c=2 c= h 0.0000
+ 2.0 19 c= c=1 h 0.0000
+ 2.0 19 c=1 c=1 h 0.0000
+ 2.0 19 c=2 c=1 h 0.0000
+ 2.0 19 c= c=2 h 0.0000
+ 2.0 19 c=1 c=2 h 0.0000
+ 2.0 19 c=2 c=2 h 0.0000
+ 1.0 1 c= c= np 0.0000
+ 2.0 19 c=1 c= np 0.0000
+ 2.0 19 c=2 c= np 0.0000
+ 2.0 19 c= c=1 np 0.0000
+ 2.0 19 c=1 c=1 np 0.0000
+ 2.0 19 c=2 c=1 np 0.0000
+ 2.0 19 c= c=2 np 0.0000
+ 2.0 19 c=1 c=2 np 0.0000
+ 2.0 19 c=2 c=2 np 0.0000
+ 1.0 1 c= np c= 0.0000
+ 2.0 19 c=1 np c= 0.0000
+ 2.0 19 c=2 np c= 0.0000
+ 2.0 19 c=1 np c=1 0.0000
+ 2.0 19 c=1 np c=2 0.0000
+ 2.0 19 c=2 np c=2 0.0000
+ 1.0 1 o' c' c= 0.0000
+ 2.0 19 o' c' c=1 0.0000
+ 2.0 19 o' c' c=2 0.0000
+ 1.0 1 c c= c' 0.0000
+ 2.0 19 c c=1 c' 0.0000
+ 2.0 19 c c=2 c' 0.0000
+ 1.0 1 h c= np 0.0000
+ 2.0 19 h c=1 np 0.0000
+ 2.0 19 h c=2 np 0.0000
+ 1.0 1 c np c= 0.0000
+ 2.0 19 c np c=1 0.0000
+ 2.0 19 c np c=2 0.0000
+ 1.0 1 cp np c5 0.0000
+ 1.0 1 c5 cp np 0.0000
+ 1.0 1 c5 cp n 0.0000
+ 1.0 1 f c c 0.0000
+ 1.0 1 f c h 0.0000
+ 1.0 1 cl c c 0.0000
+ 1.0 1 cl c h 0.0000
+ 1.0 1 br c c 0.0000
+ 1.0 1 br c h 0.0000
+ 1.0 1 f cp cp 0.0000
+ 1.0 1 cl cp cp 0.0000
+ 1.0 1 br cp cp 0.0000
+ 1.0 1 si c h 23.8000
+ 1.0 1 c si c 12.2000
+ 1.0 1 c si h 6.7000
+ 1.0 1 h si h 17.4000
+ 1.0 1 si c si 12.2000
+ 1.0 1 c si o 42.0000
+ 1.0 1 o si h 27.9000
+ 1.0 1 si o si 71.3000
+ 1.0 1 o si o 71.3000
+ 1.0 1 si o c 77.1000
+ 1.3 6 cs c5 c5 0.0000
+ 1.3 6 cs c5 h -16.0000
+ 1.3 6 c5 cs h -16.0000
+ 1.3 6 cs sp cs 0.0000
+ 1.3 6 sp cs c5 0.0000
+ 1.3 6 sp cs h 0.0000
+ 1.8 14 h sz h 17.4000
+ 1.8 14 sz oz sz 71.3000
+ 1.8 14 oz sz oz 71.3000
+ 1.8 14 oz sz h 27.9000
+
+#bond-angle cvff
+
+> E = K * (R - R0) * (Theta - Theta0)
+
+!Ver Ref I J K K(b,theta) K(b',theta)
+!---- --- ---- ---- ---- ---------- -----------
+ 1.0 1 c o c' 57.0000 57.0000
+ 1.0 1 h c h 0.0000
+ 1.0 1 h c c 12.6000 38.4000
+ 1.0 1 c c c 60.2000
+ 1.0 1 c c' o' 30.0000 2.0000
+ 1.0 1 h c c' 2.0000 38.4000
+ 1.0 1 c c c' 60.2000 60.2000
+ 1.0 1 c' n hn 23.3000 2.0000
+ 1.0 1 c' n c 30.0000 31.5000
+ 1.0 1 hn n c 2.0000 23.3000
+ 1.0 1 n c c 35.0000 35.0000
+ 1.0 1 n c h 40.0000 2.0000
+ 1.0 1 n c c' 35.0000 35.0000
+ 1.0 1 c c' n 31.5000 2.0000
+ 1.0 1 o' c' n 2.0000 2.0000
+ 1.0 1 c o ho 57.0000 0.0000
+ 1.0 1 o c h 64.4000 0.0000
+ 1.0 1 c c o 0.0000 0.0000
+ 1.0 1 o c o 0.0000
+ 1.0 1 hn n hn 2.0000
+ 1.0 1 o' c' o 0.0000 0.0000
+ 1.0 1 c c' o 0.0000 0.0000
+ 1.0 1 c' o ho 0.0000 0.0000
+ 1.0 1 h c' o 0.0000 0.0000
+ 1.0 1 h c' o' 2.0000 30.0000
+ 1.0 1 o- c' o- 0.0000
+ 1.0 1 c c' o- 0.0000 30.0000
+ 1.0 1 h c' o- 0.0000 30.0000
+ 1.0 1 c n c 50.0000
+ 1.0 1 h c' n 0.0000 0.0000
+ 1.0 1 cp cp h 50.0000 0.0000
+ 1.0 1 cp cp cp -50.0000
+ 1.0 1 h c cp 12.6000 38.4000
+ 1.0 1 c cp cp -50.0000 -50.0000
+ 1.0 1 c c cp 60.2000 60.2000
+ 1.0 1 cp o ho 0.0000 0.0000
+ 1.0 1 o cp cp 0.0000 0.0000
+ 1.0 1 c sh hs 0.0000 0.0000
+ 1.0 1 h c sh 0.0000 0.0000
+ 1.0 1 h c s 0.0000 0.0000
+ 1.0 1 c c sh 50.0000 50.0000
+ 1.0 1 c c s 50.0000 50.0000
+ 1.0 1 c s c 0.0000
+ 1.0 1 c s s 0.0000 0.0000
+ 1.0 1 h c n3 0.0000 0.0000
+ 1.0 1 hn n3 hn 0.0000
+ 1.0 1 c n3 c 0.0000
+ 1.0 1 c n3 hn 0.0000 0.0000
+ 1.0 1 c c n3 0.0000 0.0000
+ 1.0 1 np cp np 0.0000
+ 1.0 1 cp cp np 0.0000 0.0000
+ 1.0 1 h cp np 0.0000 50.0000
+ 1.0 1 cp np cp 0.0000
+ 1.0 1 cp np hn 0.0000 0.0000
+ 1.0 1 h cp c5 0.0000 50.0000
+ 1.0 1 cp cp c5 -50.0000 -50.0000
+ 1.0 1 cp c5 c5 0.0000 0.0000
+ 1.0 1 c5 c5 h 50.0000 0.0000
+ 1.0 1 c5 c5 c5 0.0000
+ 1.0 1 h c c5 12.6000 38.4000
+ 1.0 1 c c5 c5 -50.0000 -50.0000
+ 1.0 1 c c c5 60.2000 60.2000
+ 1.0 1 np c5 np 0.0000
+ 1.0 1 c5 c5 np 0.0000 0.0000
+ 1.0 1 cp c5 np 0.0000 0.0000
+ 1.0 1 h c5 np 0.0000 50.0000
+ 1.0 1 c5 np c5 0.0000
+ 1.0 1 c5 np hn 0.0000 0.0000
+ 1.0 1 c c5 np 0.0000 0.0000
+ 1.0 1 n c' n 0.0000
+ 1.0 1 cp o c 0.0000 0.0000
+ 1.0 1 np cp n 0.0000 0.0000
+ 1.0 1 cp cp n 0.0000 0.0000
+ 1.0 1 hn n cp 2.0000 23.3000
+ 1.0 1 n3 c c' 35.0000 35.0000
+ 1.0 1 cp c cp 60.2000
+ 1.0 1 c o c 57.0000
+ 1.0 1 h* o* h* 31.3000
+ 1.0 1 p o c 0.0000 0.0000
+ 1.0 1 p o p 0.0000
+ 1.0 1 o p o 0.0000
+ 1.0 1 o' p o 0.0000 0.0000
+ 1.0 1 o' p o' 0.0000
+ 1.0 1 o- p o- 0.0000
+ 1.0 1 o p o- 0.0000 0.0000
+ 1.0 1 h p o- 0.0000 60.0000
+ 1.0 1 c5 np c 0.0000 0.0000
+ 1.0 1 np c o 0.0000 0.0000
+ 1.0 1 np c h 0.0000 0.0000
+ 1.0 1 np c c 0.0000 0.0000
+ 1.0 1 c= c' n 31.5000 2.0000
+ 2.0 19 c=1 c' n 31.5000 2.0000
+ 2.0 19 c=2 c' n 31.5000 2.0000
+ 1.0 1 c' c= c= 60.2000 60.2000
+ 2.0 19 c' c=1 c= 60.2000 60.2000
+ 2.0 19 c' c=2 c= 60.2000 60.2000
+ 2.0 19 c' c= c=1 60.2000 60.2000
+ 2.0 19 c' c=1 c=1 60.2000 60.2000
+ 2.0 19 c' c=2 c=1 60.2000 60.2000
+ 2.0 19 c' c= c=2 60.2000 60.2000
+ 2.0 19 c' c=1 c=2 60.2000 60.2000
+ 2.0 19 c' c=2 c=2 60.2000 60.2000
+ 1.0 1 c c= c= 60.2000 60.2000
+ 2.0 19 c c=1 c= 60.2000 60.2000
+ 2.0 19 c c=2 c= 60.2000 60.2000
+ 2.0 19 c c= c=1 60.2000 60.2000
+ 2.0 19 c c=1 c=1 60.2000 60.2000
+ 2.0 19 c c=2 c=1 60.2000 60.2000
+ 2.0 19 c c= c=2 60.2000 60.2000
+ 2.0 19 c c=1 c=2 60.2000 60.2000
+ 2.0 19 c c=2 c=2 60.2000 60.2000
+ 1.0 1 c c= h 0.0000 38.4000
+ 2.0 19 c c=1 h 0.0000 38.4000
+ 2.0 19 c c=2 h 0.0000 38.4000
+ 1.0 1 c= c c= 60.2000
+ 2.0 19 c=1 c c= 60.2000 60.2000
+ 2.0 19 c=2 c c= 60.2000 60.2000
+ 2.0 19 c=1 c c=1 60.2000
+ 2.0 19 c=1 c c=2 60.2000 60.2000
+ 2.0 19 c=2 c c=2 60.2000
+ 1.0 1 c' c c= 60.2000 60.2000
+ 2.0 19 c' c c=1 60.2000 60.2000
+ 2.0 19 c' c c=2 60.2000 60.2000
+ 1.0 1 h c c= 12.6000 38.4000
+ 2.0 19 h c c=1 12.6000 38.4000
+ 2.0 19 h c c=2 12.6000 38.4000
+ 1.0 1 c= c= h 38.4000 0.0000
+ 2.0 19 c=1 c= h 38.4000 0.0000
+ 2.0 19 c=2 c= h 38.4000 0.0000
+ 2.0 19 c= c=1 h 38.4000 0.0000
+ 2.0 19 c=1 c=1 h 38.4000 0.0000
+ 2.0 19 c=2 c=1 h 38.4000 0.0000
+ 2.0 19 c= c=2 h 38.4000 0.0000
+ 2.0 19 c=1 c=2 h 38.4000 0.0000
+ 2.0 19 c=2 c=2 h 38.4000 0.0000
+ 2.0 19 c= c= np 0.0000 0.0000
+ 2.0 19 c=1 c= np 0.0000 0.0000
+ 2.0 19 c=2 c= np 0.0000 0.0000
+ 2.0 19 c= c=1 np 0.0000 0.0000
+ 2.0 19 c=1 c=1 np 0.0000 0.0000
+ 2.0 19 c=2 c=1 np 0.0000 0.0000
+ 1.0 1 c= c=2 np 0.0000 0.0000
+ 2.0 19 c=1 c=2 np 0.0000 0.0000
+ 2.0 19 c=2 c=2 np 0.0000 0.0000
+ 1.0 1 c= np c= 0.0000
+ 2.0 19 c=1 np c= 0.0000 0.0000
+ 2.0 19 c=2 np c= 0.0000 0.0000
+ 2.0 19 c=1 np c=1 0.0000
+ 2.0 19 c=1 np c=2 0.0000 0.0000
+ 2.0 19 c=2 np c=2 0.0000
+ 1.0 1 o' c' c= 0.0000 0.0000
+ 2.0 19 o' c' c=1 0.0000 0.0000
+ 2.0 19 o' c' c=2 0.0000 0.0000
+ 1.0 1 c c= c' 0.0000 0.0000
+ 2.0 19 c c=1 c' 0.0000 0.0000
+ 2.0 19 c c=2 c' 0.0000 0.0000
+ 1.0 1 h c= np 0.0000 50.0000
+ 2.0 19 h c=1 np 0.0000 50.0000
+ 2.0 19 h c=2 np 0.0000 50.0000
+ 1.0 1 c np c= 0.0000 0.0000
+ 2.0 19 c np c=1 0.0000 0.0000
+ 2.0 19 c np c=2 0.0000 0.0000
+ 1.0 1 cp np c5 0.0000 0.0000
+ 1.0 1 c5 cp np 0.0000 0.0000
+ 1.0 1 c5 cp n 0.0000 0.0000
+ 1.0 1 f c c 0.0000 0.0000
+ 1.0 1 f c h 0.0000 0.0000
+ 1.0 1 cl c c 0.0000 0.0000
+ 1.0 1 cl c h 0.0000 0.0000
+ 1.0 1 br c c 0.0000 0.0000
+ 1.0 1 br c h 0.0000 0.0000
+ 1.0 1 f cp cp 0.0000 0.0000
+ 1.0 1 cl cp cp 0.0000 0.0000
+ 1.0 1 br cp cp 0.0000 0.0000
+ 1.0 1 si c h 24.5000 16.2000
+ 1.0 1 c si c 1.3000
+ 1.0 1 c si h 1.9000 -4.1000
+ 1.0 1 h si h 4.2000
+ 1.0 1 si c si 20.0000
+ 1.0 1 c si o -19.0000 45.0000
+ 1.0 1 o si h 0.0000 -6.4000
+ 1.0 1 si o si 19.0000
+ 1.0 1 o si o 11.0000
+ 1.0 1 si o c 80.0000 62.0000
+ 1.3 6 cs c5 c5 0.0000 0.0000
+ 1.3 6 cs c5 h 50.0000 0.0000
+ 1.3 6 c5 cs h 50.0000 0.0000
+ 1.3 6 cs sp cs 0.0000
+ 1.3 6 sp cs c5 0.0000 0.0000
+ 1.3 6 sp cs h 0.0000 0.0000
+ 1.8 14 h sz h 4.2000
+ 1.8 14 sz oz sz 19.0000
+ 1.8 14 oz sz oz 11.0000
+ 1.8 14 oz sz h 0.0000 -6.4000
+
+#torsion_1 cvff
+
+> E = Kphi * [ 1 + cos(n*Phi - Phi0) ]
+
+!Ver Ref I J K L Kphi n Phi0
+!---- --- ---- ---- ---- ---- ------- ------ -------
+ 2.3 23 * cp no * 10.0000 2 180.0000
+ 1.0 1 * cp c' * 10.0000 2 180.0000
+ 1.0 1 * c c * 1.4225 3 0.0000
+ 1.0 1 * c c' * 0.0000 0 0.0000
+ 1.0 1 * c n * 0.0000 0 0.0000
+ 1.0 1 * c o * 0.3900 3 0.0000
+ 1.0 1 * c of * 0.3900 3 0.0000
+ 1.0 1 * c' n2 * 6.0000 2 180.0000
+ 1.0 1 * cr n2 * 13.6000 2 180.0000
+ 1.0 1 * n cr * 13.6000 2 180.0000
+ 1.0 1 * c' o * 4.5000 2 180.0000
+ 1.0 1 * cp cp * 12.0000 2 180.0000
+ 1.0 1 * cp c * 0.0000 2 0.0000
+ 1.9 17 cp cp c cp 0.6750 4 0.0000
+ 1.0 1 * ct ct * 0.0000 0 0.0000
+ 1.0 1 * c ct * 0.0000 0 0.0000
+ 1.0 1 * c' ct * 0.0000 0 0.0000
+ 1.0 1 * o ct * 0.0000 0 0.0000
+ 1.0 1 * n ct * 0.0000 0 0.0000
+ 1.0 1 * s ct * 0.0000 0 0.0000
+ 1.0 1 * cp ct * 0.0000 0 0.0000
+ 1.0 1 * ct nt * 0.0000 0 0.0000
+ 1.3 5 * c nt * 0.0000 0 0.0000
+ 1.3 5 * c' nt * 0.0000 0 0.0000
+ 1.3 5 * o nt * 0.0000 0 0.0000
+ 1.3 5 * n nt * 0.0000 0 0.0000
+ 1.3 5 * s nt * 0.0000 0 0.0000
+ 1.3 5 * cp nt * 0.0000 0 0.0000
+ 1.0 1 * cp o * 1.5000 2 180.0000
+ 1.9 16 cp cp o c 1.8000 2 180.0000
+ 1.0 1 * cp of * 3.5000 2 180.0000
+ 1.0 1 * c sh * 0.4200 3 0.0000
+ 1.0 1 * c s * 0.4200 3 0.0000
+ 1.0 1 * s s * 5.5000 2 0.0000
+ 1.0 1 * n3 c * 0.8000 3 0.0000
+ 1.0 1 * n2 c * 0.0000 0 0.0000
+ 1.0 1 * cp np * 4.0000 2 180.0000
+ 1.0 1 * cp n2 * 10.0000 2 180.0000
+ 1.0 1 * cp n * 10.0000 2 180.0000
+ 1.0 1 * p o * 0.7500 3 0.0000
+ 1.0 1 * c= np * 4.0000 2 180.0000
+ 2.0 19 * c=1 np * 4.0000 2 180.0000
+ 2.0 19 * c=2 np * 4.0000 2 180.0000
+ 1.0 1 * c= c= * 16.3000 2 180.0000
+ 2.0 19 * c=1 c= * 16.3000 2 180.0000
+ 2.0 19 * c=2 c= * 16.3000 2 180.0000
+ 2.0 19 * c=1 c=1 * 16.3000 2 180.0000
+ 2.0 19 * c=1 c=2 * 16.3000 2 180.0000
+ 2.0 19 * c=2 c=2 * 16.3000 2 180.0000
+ 1.0 1 * c= c * 1.2660 3 0.0000
+ 2.0 19 * c=1 c * 1.2660 3 0.0000
+ 2.0 19 * c=2 c * 1.2660 3 0.0000
+ 1.0 1 * np c * 0.0000 0 0.0000
+ 1.0 1 * c' c= * 1.8000 2 180.0000
+ 2.0 19 * c' c=1 * 1.8000 2 180.0000
+ 2.0 19 * c' c=2 * 1.8000 2 180.0000
+ 1.3 6 * cs cp * 6.0000 2 180.0000
+ 1.3 6 cs sp cs cp 12.0000 2 180.0000
+ 1.3 6 cs sp cs h 3.9316 2 180.0000
+ 1.3 6 sp cs cp cp 6.4517 2 180.0000
+ 1.3 6 sp cs cp h 2.0000 2 180.0000
+ 1.0 1 c c' n c 3.2000 2 180.0000
+ 1.0 1 c c' n hn 1.2000 2 180.0000
+ 1.0 1 o' c' n c 3.8000 2 180.0000
+ 1.0 1 o' c' n hn 1.8000 2 180.0000
+ 1.0 1 h c' n c 3.2000 2 180.0000
+ 1.0 1 h c si c 0.4000 3 0.0000
+ 1.0 1 h c si h 0.2800 3 0.0000
+ 1.0 1 c si c si -1.7000 3 0.0000
+ 1.0 1 h si c si 1.0000 3 0.0000
+ 1.0 1 h c si o -0.1000 3 0.0000
+ 1.0 1 c si o si 0.4000 3 0.0000
+ 1.0 1 h si o si 1.0000 3 0.0000
+ 1.0 1 si o si o 0.3000 3 0.0000
+ 1.0 1 o si o c 0.1000 3 0.0000
+ 1.0 1 h si o c -0.1000 3 0.0000
+ 1.0 1 si o c h 0.7000 3 0.0000
+ 1.8 14 sz oz sz oz 0.3000 3 0.0000
+ 1.8 14 h sz oz sz 1.0000 3 0.0000
+ 2.1 28 * sz oz * 1.0000 3 0.0000
+ 2.1 28 * sz f * 1.0000 3 0.0000
+ 2.1 28 * sz sz * 1.0000 3 0.0000
+
+
+#angle-angle-torsion_1 cvff
+
+> E = K * (Theta - Theta0) * (Theta' - Theta0') * cos(Phi)
+!Ver Ref I J K L K(Ang,Ang,Tor)
+!---- --- ---- ---- ---- ---- --------------
+ 1.0 1 * c c * -10.5000
+ 1.0 1 * c c' * 0.0000
+ 1.0 1 * c n * 0.0000
+ 1.0 1 * c o * 0.0000
+ 1.0 1 * c of * 0.0000
+ 1.0 1 * c' n2 * 0.0000
+ 1.0 1 * cr n2 * 0.0000
+ 1.0 1 * n cr * 0.0000
+ 1.0 1 * c' o * 0.0000
+ 1.0 1 * cp cp * -8.5000
+ 1.0 1 * cp c * 0.0000
+ 1.0 1 * ct ct * 0.0000
+ 1.0 1 * c ct * 0.0000
+ 1.0 1 * c' ct * 0.0000
+ 1.0 1 * o ct * 0.0000
+ 1.0 1 * n ct * 0.0000
+ 1.0 1 * s ct * 0.0000
+ 1.0 1 * cp ct * 0.0000
+ 1.0 1 * ct nt * 0.0000
+ 1.0 1 * cp o * 0.0000
+ 1.0 1 * cp of * 0.0000
+ 1.0 1 * c sh * -10.5000
+ 1.0 1 * c s * -10.5000
+ 1.0 1 * s s * 0.0000
+ 1.0 1 * n3 c * -10.5000
+ 1.0 1 * n2 c * 0.0000
+ 1.0 1 * cp np * 0.0000
+ 1.0 1 * cp n2 * 0.0000
+ 1.0 1 * cp n * 0.0000
+ 1.0 1 * cp c' * 0.0000
+ 1.0 1 * p o * 0.0000
+ 1.0 1 * c= np * 0.0000
+ 2.0 19 * c=1 np * 0.0000
+ 2.0 19 * c=2 np * 0.0000
+ 1.0 1 * c= c= * 0.0000
+ 2.0 19 * c=1 c= * 0.0000
+ 2.0 19 * c=2 c= * 0.0000
+ 2.0 19 * c=1 c=1 * 0.0000
+ 2.0 19 * c=1 c=2 * 0.0000
+ 2.0 19 * c=2 c=2 * 0.0000
+ 1.0 1 * c= c * 0.0000
+ 2.0 19 * c=1 c * 0.0000
+ 2.0 19 * c=2 c * 0.0000
+ 1.0 1 * np c * 0.0000
+ 1.0 1 * c' c= * 0.0000
+ 2.0 19 * c' c=1 * 0.0000
+ 2.0 19 * c' c=2 * 0.0000
+ 1.3 6 * cs cp * -8.5000
+ 1.3 6 cs sp cs cp -8.5000
+ 1.3 6 cs sp cs h -8.5000
+ 1.3 6 sp cs cp cp -8.5000
+ 1.3 6 sp cs cp h -8.5000
+ 1.0 1 c c' n c -8.0000
+ 1.0 1 c c' n hn -12.0000
+ 1.0 1 o' c' n c -8.0000
+ 1.0 1 o' c' n hn -12.0000
+ 1.0 1 h c' n c -8.0000
+ 1.0 1 h c si c 0.0000
+ 1.0 1 h c si h 0.0000
+ 1.0 1 c si c si 0.0000
+ 1.0 1 h si c si 0.0000
+ 1.0 1 h c si o 0.0000
+ 1.0 1 c si o si 0.0000
+ 1.0 1 h si o si 0.0000
+ 1.0 1 si o si o 0.0000
+ 1.0 1 o si o c 0.0000
+ 1.0 1 h si o c 0.0000
+ 1.0 1 si o c h 0.0000
+ 1.8 14 sz oz sz oz 0.0000
+ 1.8 14 h sz oz sz 0.0000
+
+#out_of_plane cvff
+
+> E = Kchi * [ 1 + cos(n*Chi - Chi0) ]
+
+!Ver Ref I J K L Kchi n Chi0
+!---- --- ---- ---- ---- ---- ------- ------ -------
+ 2.3 23 c' cp cp cp 10.0000 2 180.0000
+ 2.3 23 cp c' o' o' 10.0000 2 180.0000
+ 2.3 23 cp no o' o' 10.0000 2 180.0000
+ 2.3 23 cp cp cp no 10.0000 2 180.0000
+ 1.0 1 c c' n o' 10.0000 2 180.0000
+ 1.0 1 c' n c hn 0.0500 2 180.0000
+ 1.0 1 c c' n2 o' 10.0000 2 180.0000
+ 1.0 1 h c' n2 o' 10.0000 2 180.0000
+ 1.0 1 hn n2 c' hn 0.0500 2 180.0000
+ 1.0 1 c c' o' o' 11.6000 2 180.0000
+ 1.0 1 h c' o' o' 11.6000 2 180.0000
+ 1.0 1 c' n c c 0.0500 2 180.0000
+ 1.0 1 h c' o' n 0.0500 2 180.0000
+ 1.0 1 cp cp cp h 0.3700 2 180.0000
+ 1.0 1 cp cp cp c 0.3700 2 180.0000
+ 1.0 1 cp cp cp cp 0.3700 2 180.0000
+ 1.0 1 cp cp cp o' 0.0000 2 180.0000
+ 1.0 1 cp cp h np 0.3700 2 180.0000
+ 1.0 1 h cp np np 0.3700 2 180.0000
+ 1.0 1 cp cp cp np 0.3700 2 180.0000
+ 1.0 1 n2 cp np np 0.3700 2 180.0000
+ 1.0 1 cp n2 hn hn 0.0000 2 180.0000
+ 1.0 1 n c' n2 n2 10.0000 2 180.0000
+ 1.0 1 hn np cp cp 0.3700 2 180.0000
+ 1.0 1 c cp cp np 0.3700 2 180.0000
+ 1.0 1 n2 cp cp np 0.3700 2 180.0000
+ 1.0 1 c= c' n2 o' 10.0000 2 180.0000
+ 1.0 1 c c= c' c= 11.1000 2 180.0000
+ 1.0 1 h c= np c= 11.1000 2 180.0000
+ 1.0 1 h c= c c= 11.1000 2 180.0000
+ 1.0 1 c np cp cp 0.3700 2 180.0000
+ 1.0 1 cp cp np np 0.3700 2 180.0000
+ 1.3 6 sp cs cp h 2.9998 2 180.0000
+ 1.3 6 cp cp cs h 0.3700 2 180.0000
+ 1.3 7 h c' s' h 7.5300 2 180.0000
+ 1.3 7 c c' c s' 7.5300 2 180.0000
+
+#out_of_plane-out_of_plane cvff
+
+> E = Koo * Chi * Chi'
+
+!Ver Ref I J K L Koo
+!---- --- ---- ---- ---- ---- -------
+ 1.0 1 c c' n o' 0.0100
+ 1.0 1 c' n c hn 0.0100
+ 1.0 1 c c' n2 o' 0.0100
+ 1.0 1 h c' n2 o' 0.0100
+ 1.0 1 hn n2 c' hn 0.0100
+ 1.0 1 c c' o' o' 0.0000
+ 1.0 1 h c' o' o' 0.0000
+ 1.0 1 c' n c c 0.0000
+ 1.0 1 h c' o' n 0.0000
+ 1.0 1 cp cp cp h 0.0000
+ 1.0 1 cp cp cp c 0.0000
+ 1.0 1 cp cp cp cp 0.0000
+ 1.0 1 cp cp cp o' 0.0000
+ 1.0 1 cp cp h np 0.0000
+ 1.0 1 h cp np np 0.0000
+ 1.0 1 cp cp cp np 0.0000
+ 1.0 1 n2 cp np np 0.0000
+ 1.0 1 cp n2 hn hn 0.0000
+ 1.0 1 n c' n2 n2 0.0100
+ 1.0 1 hn np cp cp 0.0000
+ 1.0 1 c cp cp np 0.0000
+ 1.0 1 n2 cp cp np 0.0000
+ 1.0 1 c= c' n2 o' 0.0100
+ 1.0 1 c c= c' c= 0.0000
+ 1.0 1 h c= np c= 0.0000
+ 1.0 1 h c= c c= 0.0000
+ 1.0 1 c np cp cp 0.0000
+ 1.0 1 cp cp np np 0.0000
+ 1.3 6 sp cs cp h 0.0000
+ 1.3 6 cp cp cs h 0.0000
+
+#angle-angle cvff
+
+> E = K * (Theta - Theta0) * (Theta' - Theta0')
+
+! J' I' K'
+!Ver Ref I J K K
+!---- --- ---- ---- ---- ---- -------
+ 1.0 1 c c c c -7.9000
+ 1.0 1 h c h h 0.0000
+ 1.0 1 h c h c 0.0000
+ 1.0 1 h c c h -7.9000
+ 1.0 1 h c c c -7.9000
+ 1.0 1 c c h c 0.0000
+ 1.0 1 h c h c' 0.0000
+ 1.0 1 h c c' h -7.5000
+ 1.0 1 c' n hn c 0.0000
+ 1.0 1 c' n c hn -7.5000
+ 1.0 1 c n c' hn 0.0000
+ 1.0 1 c c n h -7.9000
+ 1.0 1 c c h n -7.9000
+ 1.0 1 h c c n -7.9000
+ 1.0 1 c c c' h -7.9000
+ 1.0 1 c c h c' 0.0000
+ 1.0 1 c' c c h -7.9000
+ 1.0 1 n c h c' -7.9000
+ 1.0 1 n c c' h -7.9000
+ 1.0 1 c' c n h -7.9000
+ 1.0 1 n c c c' -7.9000
+ 1.0 1 n c c' c -7.9000
+ 1.0 1 c c n c' -7.9000
+ 1.0 1 c c' o' n 0.0000
+ 1.0 1 c c' n o' -7.5000
+ 1.0 1 n c' c o' 0.0000
+ 1.0 1 h c n h -7.5000
+ 1.0 1 h c h n 0.0000
+ 1.0 1 h c o h 0.0000
+ 1.0 1 h c h o 0.0000
+ 1.0 1 h c c o 0.0000
+ 1.0 1 h c o c 0.0000
+ 1.0 1 c c h o 0.0000
+ 1.0 1 c c c o 0.0000
+ 1.0 1 c c o c 0.0000
+ 1.0 1 hn n c' hn 0.0000
+ 1.0 1 hn n hn c' 0.0000
+ 1.0 1 c c' o' o 0.0000
+ 1.0 1 c c' o o' 0.0000
+ 1.0 1 o c' c o' 0.0000
+ 1.0 1 o' c' h o 0.0000
+ 1.0 1 h c' o' o 0.0000
+ 1.0 1 h c' o o' 0.0000
+ 1.0 1 h c' o- o- 0.0000
+ 1.0 1 o- c' h o- 0.0000
+ 1.0 1 c c' o- o- 0.0000
+ 1.0 1 o- c' c o- 0.0000
+ 1.0 1 c' n c c 10.0000
+ 1.0 1 c n c' c 10.0000
+ 1.0 1 h c' o' n 0.0000
+ 1.0 1 o' c' n h 0.0000
+ 1.0 1 o' c' h n 0.0000
+ 1.0 1 cp cp h cp 14.0000
+ 1.0 1 cp cp cp h 10.0000
+ 1.0 1 cp c h h 0.0000
+ 1.0 1 h c cp h -7.9000
+ 1.0 1 cp cp c cp 0.0000
+ 1.0 1 c cp cp cp 0.0000
+ 1.0 1 cp c c h -7.9000
+ 1.0 1 h c cp c -7.9000
+ 1.0 1 cp c h c 0.0000
+ 1.0 1 cp cp cp o 0.0000
+ 1.0 1 cp cp o cp 0.0000
+ 1.0 1 h c s h -10.0000
+ 1.0 1 h c sh h -10.0000
+ 1.0 1 s c h h 0.0000
+ 1.0 1 sh c h h 0.0000
+ 1.0 1 h c s c 0.0000
+ 1.0 1 h c sh c 0.0000
+ 1.0 1 c c h s 0.0000
+ 1.0 1 c c h sh 0.0000
+ 1.0 1 h c c s 0.0000
+ 1.0 1 h c c sh 0.0000
+ 1.0 1 c c h n3 0.0000
+ 1.0 1 hn n3 hn hn 0.0000
+ 1.0 1 c c n3 h 0.0000
+ 1.0 1 h c c n3 0.0000
+ 1.0 1 h c h n3 0.0000
+ 1.0 1 h c n3 h 0.0000
+ 1.0 1 c n3 c hn 0.0000
+ 1.0 1 c n3 hn c 0.0000
+ 1.0 1 c n hn hn 0.0000
+ 1.0 1 hn n c hn 0.0000
+ 1.0 1 c n3 hn hn 0.0000
+ 1.0 1 hn n3 c hn 0.0000
+ 1.0 1 c n3 c c 0.0000
+ 1.0 1 h cp cp np 0.0000
+ 1.0 1 h cp np cp 0.0000
+ 1.0 1 cp cp h np 0.0000
+ 1.0 1 np cp h np 0.0000
+ 1.0 1 np cp np h 0.0000
+ 1.0 1 cp np hn cp 0.0000
+ 1.0 1 cp np cp hn 0.0000
+ 1.0 1 cp cp h c5 0.0000
+ 1.0 1 h cp cp c5 0.0000
+ 1.0 1 h cp c5 cp 0.0000
+ 1.0 1 c5 c5 c5 cp 0.0000
+ 1.0 1 c5 c5 cp c5 0.0000
+ 1.0 1 np c5 cp c5 0.0000
+ 1.0 1 cp c5 np c5 0.0000
+ 1.0 1 cp c5 c5 np 0.0000
+ 1.0 1 hn np c5 c5 0.0000
+ 1.0 1 c5 np hn c5 0.0000
+ 1.0 1 h c5 np c5 0.0000
+ 1.0 1 np c5 h c5 0.0000
+ 1.0 1 h c5 c5 np 0.0000
+ 1.0 1 h c5 c5 c5 0.0000
+ 1.0 1 c5 c5 h c5 0.0000
+ 1.0 1 h c c c5 0.0000
+ 1.0 1 h c c5 c 0.0000
+ 1.0 1 c c h c5 0.0000
+ 1.0 1 h c c5 h 0.0000
+ 1.0 1 h c h c5 0.0000
+ 1.0 1 c5 c5 c c5 0.0000
+ 1.0 1 c c5 c5 c5 0.0000
+ 1.0 1 np c5 c c5 0.0000
+ 1.0 1 c c5 np c5 0.0000
+ 1.0 1 c c5 c5 np 0.0000
+ 1.0 1 h c5 np np 0.0000
+ 1.0 1 np c5 h np 0.0000
+ 1.0 1 n c' n n 0.0000
+ 1.0 1 np cp np n 0.0000
+ 1.0 1 np cp n np -8.0000
+ 1.0 1 cp n hn hn 0.0000
+ 1.0 1 hn n cp hn -8.0000
+ 1.0 1 c c n3 c' -7.9000
+ 1.0 1 c c c' n3 -7.9000
+ 1.0 1 c' c c n3 -7.9000
+ 1.0 1 h c n3 c' -7.9000
+ 1.0 1 h c c' n3 -7.9000
+ 1.0 1 c' c h n3 -7.9000
+ 1.0 1 n cp np cp 0.0000
+ 1.0 1 n cp cp np 0.0000
+ 1.0 1 cp cp n np 0.0000
+ 1.0 1 h c cp cp 0.0000
+ 1.0 1 cp c h cp 0.0000
+ 1.0 1 o' c' n c= 0.0000
+ 1.0 1 o' c' c= n 0.0000
+ 1.0 1 n c' o' c= 0.0000
+ 1.0 1 c c= c' c= 0.0000
+ 1.0 1 c' c= c c= 0.0000
+ 1.0 1 c c= c= c' 0.0000
+ 1.0 1 h c c= c= 0.0000
+ 1.0 1 h c c= h 0.0000
+ 1.0 1 c= c h c= 0.0000
+ 1.0 1 h c h c= 0.0000
+ 1.0 1 h c= c= np 0.0000
+ 1.0 1 np c= h c= 0.0000
+ 1.0 1 h c= np c= 0.0000
+ 1.0 1 h c= c c= 0.0000
+ 1.0 1 h c= c= c 0.0000
+ 1.0 1 c c= h c= 0.0000
+ 1.0 1 c np c= c= 0.0000
+ 1.0 1 c= np c c= 0.0000
+ 1.0 1 h c n c= 0.0000
+ 1.0 1 c= c h n 0.0000
+ 1.0 1 c' c n c= 0.0000
+ 1.0 1 h c c= n 0.0000
+ 1.0 1 c' c c= n 0.0000
+ 1.0 1 c= c c' n 0.0000
+ 1.0 1 c' c h c= 0.0000
+ 1.0 1 h c c= c' 0.0000
+ 1.0 1 h c c' c= 0.0000
+ 1.0 1 c c np o 0.0000
+ 1.0 1 h c np c 0.0000
+ 1.0 1 o c c np 0.0000
+ 1.0 1 h c c np 0.0000
+ 1.0 1 h c np o 0.0000
+ 1.0 1 c c o np 0.0000
+ 1.0 1 h c o np 0.0000
+ 1.0 1 c c h np 0.0000
+ 1.0 1 o c h np 0.0000
+ 1.0 1 c5 np c c5 0.0000
+ 1.0 1 c np c5 c5 0.0000
+ 1.0 1 np c5 c5 c5 0.0000
+ 1.0 1 np c5 np c5 0.0000
+ 1.0 1 n cp np c5 0.0000
+ 1.0 1 np cp n c5 0.0000
+ 1.0 1 n cp c5 np 0.0000
+ 1.0 1 np c5 c5 np 0.0000
+ 1.0 1 o- p o o- 0.0000
+ 1.0 1 o p o- o- 0.0000
+ 1.0 1 o- p o- o- 0.0000
+ 1.0 1 h p o- o- 30.0000
+ 1.0 1 o- p h o- 30.0000
+ 1.0 1 o' p o o 0.0000
+ 1.0 1 o' p o o' 0.0000
+ 1.0 1 o p o' o 0.0000
+ 1.0 1 o' p o' o 0.0000
+
+
+
+#morse_bond cvff_auto
+
+> E = D * (1 - exp(-ALPHA*(R - R0)))^2
+
+!Ver Ref I J R0 D ALPHA
+!---- --- ---- ---- ------- -------- -------
+ 2.0 18 c3m_ c3m_ 1.5100 88.0000 1.9150
+ 2.0 18 c3m_ c4m_ 1.5260 88.0000 1.9150
+ 2.0 18 c3m_ c_ 1.5260 88.0000 1.9150
+ 2.0 18 c3m_ c'_ 1.5200 76.0000 1.9300
+ 2.0 18 c3m_ cp_ 1.5100 76.0000 1.9300
+ 2.0 18 c3m_ c=_ 1.5000 80.7000 2.0000
+ 2.0 18 c3m_ c=_1 1.5000 80.7000 2.0000
+ 2.0 18 c3m_ c=_2 1.5000 80.7000 2.0000
+ 2.0 18 c3m_ c=_3 1.5000 80.7000 2.0000
+ 2.0 18 c3m_ ct_ 1.4000 85.0000 2.0000
+ 2.0 18 c3m_ na_ 1.4700 68.0000 2.2900
+ 2.0 18 c3m_ n3m_ 1.4850 68.0000 2.2900
+ 2.0 18 c3m_ n4m_ 1.4700 68.0000 2.2900
+ 2.0 18 c3m_ n_ 1.4600 72.0000 2.2900
+ 2.0 18 c3m_ np_ 1.4750 84.2000 2.0000
+ 2.0 18 c3m_ n=_ 1.4750 84.2000 2.0000
+ 2.0 18 c3m_ n=_1 1.4750 84.2000 2.0000
+ 2.0 18 c3m_ n=_2 1.4750 84.2000 2.0000
+ 2.0 18 c3m_ n=_3 1.4750 84.2000 2.0000
+ 2.0 18 c3m_ n+_ 1.4620 67.7209 2.0000
+ 2.0 18 c3m_ o_ 1.4250 68.3000 2.0000
+ 2.0 18 c3m_ o'_ 1.3800 79.7371 2.0000
+ 2.0 18 c3m_ o3e_ 1.4340 68.3000 2.0000
+ 2.0 18 c3m_ o4e_ 1.4250 68.3000 2.0000
+ 2.0 18 c3m_ op_ 1.3800 86.6371 2.0000
+ 2.0 18 c3m_ s_ 1.8000 57.0000 2.0000
+ 2.0 18 c3m_ sp_ 1.7700 60.6331 2.0000
+ 2.0 18 c3m_ s'_ 1.7700 64.3331 2.0000
+ 2.0 18 c3m_ s3e_ 1.8000 57.0000 2.0000
+ 2.0 18 c3m_ s4e_ 1.8000 57.0000 2.0000
+ 2.0 18 c3m_ h_ 1.1050 108.6000 1.7710
+ 2.0 18 c3m_ p_ 1.7500 62.2836 2.0000
+ 2.0 18 c3m_ f_ 1.3630 124.0000 2.0000
+ 2.0 18 c3m_ cl_ 1.7610 78.5000 2.0000
+ 2.0 18 c3m_ br_ 1.9200 55.9000 2.0000
+ 2.0 18 c3m_ si_ 1.8090 59.5000 2.0000
+ 2.0 18 c3m_ i_ 2.1200 50.0000 2.0000
+ 2.0 18 c4m_ c4m_ 1.5520 88.0000 1.9150
+ 2.0 18 c4m_ c_ 1.5260 88.0000 1.9150
+ 2.0 18 c4m_ c'_ 1.5200 76.0000 1.9300
+ 2.0 18 c4m_ cp_ 1.5100 76.0000 1.9300
+ 2.0 18 c4m_ c=_ 1.5000 80.7000 2.0000
+ 2.0 18 c4m_ c=_1 1.5000 80.7000 2.0000
+ 2.0 18 c4m_ c=_2 1.5000 80.7000 2.0000
+ 2.0 18 c4m_ c=_3 1.5000 80.7000 2.0000
+ 2.0 18 c4m_ ct_ 1.4000 85.0000 2.0000
+ 2.0 18 c4m_ na_ 1.4700 68.0000 2.2900
+ 2.0 18 c4m_ n3m_ 1.4700 68.0000 2.2900
+ 2.0 18 c4m_ n4m_ 1.4670 68.0000 2.2900
+ 2.0 18 c4m_ n_ 1.4600 72.0000 2.2900
+ 2.0 18 c4m_ np_ 1.4750 84.2000 2.0000
+ 2.0 18 c4m_ n=_ 1.4750 84.2000 2.0000
+ 2.0 18 c4m_ n=_1 1.4750 84.2000 2.0000
+ 2.0 18 c4m_ n=_2 1.4750 84.2000 2.0000
+ 2.0 18 c4m_ n=_3 1.4750 84.2000 2.0000
+ 2.0 18 c4m_ n+_ 1.4620 67.7209 2.0000
+ 2.0 18 c4m_ o_ 1.4250 68.3000 2.0000
+ 2.0 18 c4m_ o'_ 1.3800 79.7371 2.0000
+ 2.0 18 c4m_ o3e_ 1.4250 68.3000 2.0000
+ 2.0 18 c4m_ o4e_ 1.4462 68.3000 2.0000
+ 2.0 18 c4m_ op_ 1.3800 86.6371 2.0000
+ 2.0 18 c4m_ s_ 1.8000 57.0000 2.0000
+ 2.0 18 c4m_ sp_ 1.7700 60.6331 2.0000
+ 2.0 18 c4m_ s'_ 1.7700 64.3331 2.0000
+ 2.0 18 c4m_ s3e_ 1.8000 57.0000 2.0000
+ 2.0 18 c4m_ s4e_ 1.8470 57.0000 2.0000
+ 2.0 18 c4m_ h_ 1.1050 108.6000 1.7710
+ 2.0 18 c4m_ p_ 1.7500 62.2836 2.0000
+ 2.0 18 c4m_ f_ 1.3630 124.0000 2.0000
+ 2.0 18 c4m_ cl_ 1.7610 78.5000 2.0000
+ 2.0 18 c4m_ br_ 1.9200 55.9000 2.0000
+ 2.0 18 c4m_ si_ 1.8090 59.5000 2.0000
+ 2.0 18 c4m_ i_ 2.1200 50.0000 2.0000
+ 2.0 18 c_ n3m_ 1.4700 68.0000 2.2900
+ 2.0 18 c_ n4m_ 1.4700 68.0000 2.2900
+ 2.0 18 c'_ n3m_ 1.4460 68.0000 2.0000
+ 2.0 18 c'_ n4m_ 1.4000 83.0000 2.0000
+ 2.0 18 c'_ s3e_ 1.7700 58.0627 1.7361
+ 2.0 18 c'_ s4e_ 1.7700 58.0627 1.7361
+ 2.0 18 cp_ n3m_ 1.4200 70.0000 2.0000
+ 2.0 18 cp_ n4m_ 1.4200 70.0000 2.0000
+ 2.0 18 cp_ s3e 1.7300 57.0000 2.0000
+ 2.0 18 cp_ s4e 1.7300 57.0000 2.0000
+ 2.0 18 c=_ n3m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_ n4m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_1 n3m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_1 n4m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_2 n3m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_2 n4m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_3 n3m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_3 n4m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_ s3e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_ s4e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_1 s3e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_1 s4e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_2 s3e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_2 s4e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_3 s3e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_3 s4e_ 1.7750 63.7360 2.0000
+ 2.0 18 ct_ n3m_ 1.3820 71.7024 2.0000
+ 2.0 18 ct_ n4m_ 1.3820 71.7024 2.0000
+ 2.0 18 ct_ s3e_ 1.7200 67.8582 2.0000
+ 2.0 18 ct_ s4e_ 1.7200 67.8582 2.0000
+ 2.0 18 na_ n3m_ 1.3940 55.2000 2.0000
+ 2.0 18 na_ n4m_ 1.3940 55.2000 2.0000
+ 2.0 18 na_ s3e_ 1.7320 51.7351 2.0000
+ 2.0 18 na_ s4e_ 1.7320 51.7351 2.0000
+ 2.0 18 n3m_ n3m_ 1.3940 55.2000 2.0000
+ 2.0 18 n3m_ n4m_ 1.3940 55.2000 2.0000
+ 2.0 18 n3m_ n_ 1.3670 55.4242 2.0000
+ 2.0 18 n3m_ np_ 1.3670 68.6242 2.0000
+ 2.0 18 n3m_ n=_ 1.3670 68.6242 2.0000
+ 2.0 18 n3m_ n=_1 1.3670 68.6242 2.0000
+ 2.0 18 n3m_ n=_2 1.3670 68.6242 2.0000
+ 2.0 18 n3m_ n=_3 1.3670 68.6242 2.0000
+ 2.0 18 n3m_ n+_ 1.3940 52.7898 2.0000
+ 2.0 18 n3m_ o_ 1.3250 75.3375 2.0000
+ 2.0 18 n3m_ op_ 1.3120 68.5440 2.0000
+ 2.0 18 n3m_ o'_ 1.3120 61.6440 2.0000
+ 2.0 18 n3m_ s_ 1.7320 51.7351 2.0000
+ 2.0 18 n3m_ sp_ 1.7020 47.7438 2.0000
+ 2.0 18 n3m_ s'_ 1.7020 51.4438 2.0000
+ 2.0 18 n3m_ s3e_ 1.7320 51.7351 2.0000
+ 2.0 18 n3m_ s4e_ 1.7320 51.7351 2.0000
+ 2.0 18 n3m_ p_ 1.6820 52.6350 2.0000
+ 2.0 18 n3m_ h_ 1.0260 88.0000 2.2800
+ 2.0 18 n3m_ f_ 1.3520 50.2463 2.0000
+ 2.0 18 n3m_ cl_ 1.6890 56.6065 2.0000
+ 2.0 18 n3m_ br_ 1.8370 50.9585 2.0000
+ 2.0 18 n3m_ i_ 2.0230 46.0026 2.0000
+ 2.0 18 n3m_ si_ 1.7920 51.1059 2.0000
+ 2.0 18 n4m_ n4m_ 1.3940 55.2000 2.0000
+ 2.0 18 n4m_ n_ 1.3670 55.4242 2.0000
+ 2.0 18 n4m_ np_ 1.3670 68.6242 2.0000
+ 2.0 18 n4m_ n=_ 1.3670 68.6242 2.0000
+ 2.0 18 n4m_ n=_1 1.3670 68.6242 2.0000
+ 2.0 18 n4m_ n=_2 1.3670 68.6242 2.0000
+ 2.0 18 n4m_ n=_3 1.3670 68.6242 2.0000
+ 2.0 18 n4m_ n+_ 1.3940 52.7898 2.0000
+ 2.0 18 n4m_ o_ 1.3250 75.3375 2.0000
+ 2.0 18 n4m_ op_ 1.3120 68.5440 2.0000
+ 2.0 18 n4m_ o'_ 1.3120 61.6440 2.0000
+ 2.0 18 n4m_ s_ 1.7320 51.7351 2.0000
+ 2.0 18 n4m_ sp_ 1.7020 47.7438 2.0000
+ 2.0 18 n4m_ s'_ 1.7020 51.4438 2.0000
+ 2.0 18 n4m_ s3e_ 1.7320 51.7351 2.0000
+ 2.0 18 n4m_ s4e_ 1.7320 51.7351 2.0000
+ 2.0 18 n4m_ p_ 1.6820 52.6350 2.0000
+ 2.0 18 n4m_ h_ 1.0260 88.0000 2.2800
+ 2.0 18 n4m_ f_ 1.3520 50.2463 2.0000
+ 2.0 18 n4m_ cl_ 1.6890 56.6065 2.0000
+ 2.0 18 n4m_ br_ 1.8370 50.9585 2.0000
+ 2.0 18 n4m_ i_ 2.0230 46.0026 2.0000
+ 2.0 18 n4m_ si_ 1.7920 51.1059 2.0000
+ 2.0 18 n_ s3e_ 1.7050 52.6552 2.0000
+ 2.0 18 n_ s4e_ 1.7050 52.6552 2.0000
+ 2.0 18 np_ s3e_ 1.7050 65.8552 2.0000
+ 2.0 18 np_ s4e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_ s3e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_ s4e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_1 s3e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_1 s4e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_2 s3e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_2 s4e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_3 s3e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_3 s4e_ 1.7050 65.8552 2.0000
+ 2.0 18 o_ s3e_ 1.6930 72.0212 2.0000
+ 2.0 18 o_ s4e_ 1.6930 72.0212 2.0000
+ 2.0 18 op_ s3e_ 1.6800 66.6937 2.0000
+ 2.0 18 op_ s4e_ 1.6800 66.6937 2.0000
+ 2.0 18 o'_ s3e_ 1.6500 59.8936 2.0000
+ 2.0 18 o'_ s4e_ 1.6500 59.8936 2.0000
+ 2.0 18 s_ s3e_ 2.1000 40.0000 2.0000
+ 2.0 18 s_ s4e_ 2.1000 40.0000 2.0000
+ 2.0 18 sp_ s3e_ 2.0400 43.7815 2.0000
+ 2.0 18 sp_ s4e_ 2.0400 43.7815 2.0000
+ 2.0 18 s'_ s3e_ 2.0400 47.4815 2.0000
+ 2.0 18 s'_ s4e_ 2.0400 47.4815 2.0000
+ 2.0 18 s3e_ s3e_ 2.0000 45.0000 2.0000
+ 2.0 18 s3e_ s4e_ 2.0000 45.0000 2.0000
+ 2.0 18 s3e_ p_ 2.0200 46.7198 2.0000
+ 2.0 18 s3e_ h_ 1.3300 87.5000 1.7700
+ 2.0 18 s3e_ f_ 1.6900 51.2046 2.0000
+ 2.0 18 s3e_ cl_ 2.0270 53.0203 2.0000
+ 2.0 18 s3e_ br_ 2.1750 46.9709 2.0000
+ 2.0 18 s3e_ i_ 2.3610 41.9406 2.0000
+ 2.0 18 s3e_ si_ 2.1300 44.3232 2.0000
+ 2.0 18 s4e_ s4e_ 2.0000 45.0000 2.0000
+ 2.0 18 s4e_ p_ 2.0200 46.7198 2.0000
+ 2.0 18 s4e_ h_ 1.3300 87.5000 1.7700
+ 2.0 18 s4e_ f_ 1.6900 51.2046 2.0000
+ 2.0 18 s4e_ cl_ 2.0270 53.0203 2.0000
+ 2.0 18 s4e_ br_ 2.1750 46.9709 2.0000
+ 2.0 18 s4e_ i_ 2.3610 41.9406 2.0000
+ 2.0 18 s4e_ si_ 2.1300 44.3232 2.0000
+ 2.0 18 c_ c_ 1.5260 88.0000 1.9150
+ 2.0 18 c_ c'_ 1.5200 76.0000 1.9300
+ 2.0 18 c_ cp_ 1.5100 76.0000 1.9300
+ 2.0 18 c_ c=_ 1.5000 80.7000 2.0000
+ 2.0 18 c_ c=_1 1.5000 80.7000 2.0000
+ 2.0 18 c_ c=_2 1.5000 80.7000 2.0000
+ 2.0 18 c_ c=_3 1.5000 80.7000 2.0000
+ 2.0 18 c_ ct_ 1.4000 85.0000 2.0000
+ 2.0 18 c_ na_ 1.4700 68.0000 2.2900
+ 2.0 18 c_ n_ 1.4600 72.0000 2.2900
+ 2.0 18 c_ np_ 1.4750 84.2000 2.0000
+ 2.0 18 c_ n=_ 1.4750 84.2000 2.0000
+ 2.0 18 c_ n=_1 1.4750 84.2000 2.0000
+ 2.0 18 c_ n=_2 1.4750 84.2000 2.0000
+ 2.0 18 c_ n=_3 1.4750 84.2000 2.0000
+ 2.0 18 c_ n+_ 1.4620 67.7209 2.0000
+ 2.0 18 c_ o_ 1.4250 68.3000 2.0000
+ 2.0 18 c_ op_ 1.3800 86.6371 2.0000
+ 2.0 18 c_ o'_ 1.3800 79.7371 2.0000
+ 2.0 18 c_ s_ 1.8000 57.0000 2.0000
+ 2.0 18 c_ sp_ 1.7700 60.6331 2.0000
+ 2.0 18 c_ s'_ 1.7700 64.3331 2.0000
+ 2.0 18 c_ h_ 1.1050 108.6000 1.7710
+ 2.0 18 c_ p_ 1.7500 62.2836 2.0000
+ 2.0 18 c_ f_ 1.3630 124.0000 2.0000
+ 2.0 18 c_ cl_ 1.7610 78.5000 2.0000
+ 2.0 18 c_ br_ 1.9200 55.9000 2.0000
+ 2.0 18 c_ si_ 1.8090 59.5000 2.0000
+ 2.0 18 c_ i_ 2.1200 50.0000 2.0000
+ 2.0 18 c'_ c'_ 1.5000 66.6000 2.0000
+ 2.0 18 c'_ cp_ 1.5000 71.0829 2.0000
+ 2.0 18 c'_ c=_ 1.5000 80.7000 2.0000
+ 2.0 18 c'_ c=_1 1.5000 80.7000 2.0000
+ 2.0 18 c'_ c=_2 1.5000 80.7000 2.0000
+ 2.0 18 c'_ c=_3 1.5000 80.7000 2.0000
+ 2.0 18 c'_ ct_ 1.4200 77.7873 2.0000
+ 2.0 18 c'_ n_ 1.3600 97.0000 2.0000
+ 2.0 18 c'_ n=_ 1.4050 74.0749 2.0000
+ 2.0 18 c'_ n=_1 1.4050 74.0749 2.0000
+ 2.0 18 c'_ n=_2 1.4050 74.0749 2.0000
+ 2.0 18 c'_ n=_3 1.4050 74.0749 2.0000
+ 2.0 18 c'_ np_ 1.4050 74.0749 2.0000
+ 2.0 18 c'_ o_ 1.3400 100.0000 2.0000
+ 2.0 18 c'_ o'_ 1.2200 145.0000 2.0600
+ 2.0 18 c'_ o-_ 1.2500 135.0000 2.0600
+ 2.0 18 c'_ op_ 1.3500 73.5252 2.0000
+ 2.0 18 c'_ s_ 1.7700 58.0627 1.7361
+ 2.0 18 c'_ s'_ 1.6110 169.3000 1.7361
+ 2.0 18 c'_ s-_ 1.6800 93.0000 1.7361
+ 2.0 18 c'_ sp_ 1.7400 53.8383 2.0000
+ 2.0 18 c'_ h_ 1.1050 108.6000 1.7710
+ 2.0 18 c'_ p_ 1.7200 60.3455 2.0000
+ 2.0 18 c'_ f_ 1.3900 54.4273 2.0000
+ 2.0 18 c'_ cl_ 1.7270 62.4647 2.0000
+ 2.0 18 c'_ br_ 1.8750 57.0702 2.0000
+ 2.0 18 c'_ si_ 1.8300 59.8388 2.0000
+ 2.0 18 c'_ i_ 2.0610 52.1506 2.0000
+ 2.0 18 cp_ cp_ 1.3900 120.0000 2.0000
+ 2.0 18 cp_ c=_ 1.5000 80.7000 2.0000
+ 2.0 18 cp_ c=_1 1.5000 80.7000 2.0000
+ 2.0 18 cp_ c=_2 1.5000 80.7000 2.0000
+ 2.0 18 cp_ c=_3 1.5000 80.7000 2.0000
+ 2.0 18 cp_ ct_ 1.4000 80.4179 2.0000
+ 2.0 18 cp_ na_ 1.4120 64.4438 2.0000
+ 2.0 18 cp_ n_ 1.4200 70.0000 2.0000
+ 2.0 18 cp_ n=_ 1.3850 79.0095 2.0000
+ 2.0 18 cp_ n=_1 1.3850 79.0095 2.0000
+ 2.0 18 cp_ n=_2 1.3850 79.0095 2.0000
+ 2.0 18 cp_ n=_3 1.3850 79.0095 2.0000
+ 2.0 18 cp_ np_ 1.3500 110.0000 2.0000
+ 2.0 18 cp_ n+_ 1.4120 62.8336 2.0000
+ 2.0 18 cp_ o_ 1.3700 96.0000 2.0000
+ 2.0 18 cp_ o'_ 1.3300 74.3713 2.0000
+ 2.0 18 cp_ op_ 1.3700 105.0000 2.0000
+ 2.0 18 cp_ s_ 1.7300 57.0000 2.0000
+ 2.0 18 cp_ s'_ 1.7200 59.9506 2.0000
+ 2.0 18 cp_ sp_ 1.7106 80.0000 2.0000
+ 2.0 18 cp_ h_ 1.0800 116.0000 1.7700
+ 2.0 18 cp_ p_ 1.7000 58.7607 2.0000
+ 2.0 18 cp_ f_ 1.3630 124.0000 2.0000
+ 2.0 18 cp_ cl_ 1.7610 78.5000 2.0000
+ 2.0 18 cp_ br_ 1.9200 55.9000 2.0000
+ 2.0 18 cp_ i_ 2.0410 54.3628 2.0000
+ 2.0 18 cp_ si_ 1.8100 56.2919 2.0000
+ 2.0 18 ci_ ci_ 1.3900 70.0000 2.0000
+ 2.0 18 ci_ ni_ 1.3800 80.0000 2.0000
+ 2.0 18 ci_ h_ 1.0800 116.0000 1.7700
+ 2.0 18 c=_ c=_ 1.3300 163.8000 2.0000
+ 2.0 18 c=_3 c=_3 1.3300 163.8000 2.0000
+ 2.0 18 c=_1 c=_3 1.3300 163.8000 2.0000
+ 2.0 18 c=_2 c=_2 1.4100 120.0000 2.0000
+ 2.0 18 c=_1 c=_2 1.4800 80.0000 2.0000
+ 2.0 18 c=_1 c=_1 1.4800 80.0000 2.0000
+ 2.0 18 c=_2 c=_3 1.4800 80.0000 2.0000
+ 2.0 18 c=_ ct_ 1.4250 84.4106 2.0000
+ 2.0 18 c=_ na_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_ n_ 1.4100 69.7685 2.0000
+ 2.0 18 c=_1 ct_ 1.4250 84.4106 2.0000
+ 2.0 18 c=_1 na_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_1 n_ 1.4100 69.7685 2.0000
+ 2.0 18 c=_2 ct_ 1.4250 84.4106 2.0000
+ 2.0 18 c=_2 na_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_2 n_ 1.4100 69.7685 2.0000
+ 2.0 18 c=_3 ct_ 1.4250 84.4106 2.0000
+ 2.0 18 c=_3 na_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_3 n_ 1.4100 69.7685 2.0000
+ 2.0 18 c=_ n=_ 1.2600 140.0000 2.0000
+ 2.0 18 c=_3 n=_3 1.2600 140.0000 2.0000
+ 2.0 18 c=_1 n=_3 1.2600 140.0000 2.0000
+ 2.0 18 c=_3 n=_1 1.2600 140.0000 2.0000
+ 2.0 18 c=_2 n=_2 1.3430 123.3817 2.0000
+ 2.0 18 c=_1 n=_2 1.4100 82.9685 2.0000
+ 2.0 18 c=_2 n=_1 1.4100 82.9685 2.0000
+ 2.0 18 c=_1 n=_1 1.4100 82.9685 2.0000
+ 2.0 18 c=_3 n=_2 1.4100 82.9685 2.0000
+ 2.0 18 c=_2 n=_3 1.4100 82.9685 2.0000
+ 2.0 18 c=_ np_ 1.4100 82.9685 2.0000
+ 2.0 18 c=_ o_ 1.3680 88.7997 2.0000
+ 2.0 18 c=_ op_ 1.3550 85.1279 2.0000
+ 2.0 18 c=_ o'_ 1.3550 78.2279 2.0000
+ 2.0 18 c=_ h_ 1.0900 90.4000 2.0000
+ 2.0 18 c=_ p_ 1.7250 62.7497 2.0000
+ 2.0 18 c=_ s_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_ sp_ 1.7450 60.2470 2.0000
+ 2.0 18 c=_ s'_ 1.7450 63.9470 2.0000
+ 2.0 18 c=_ f_ 1.3950 71.2830 2.0000
+ 2.0 18 c=_ cl_ 1.7320 69.6283 2.0000
+ 2.0 18 c=_ br_ 1.8800 63.4252 2.0000
+ 2.0 18 c=_ i_ 2.0660 58.3608 2.0000
+ 2.0 18 c=_ si_ 1.8350 60.2606 2.0000
+ 2.0 18 c=_1 np_ 1.4100 82.9685 2.0000
+ 2.0 18 c=_1 o_ 1.3680 88.7997 2.0000
+ 2.0 18 c=_1 op_ 1.3550 85.1279 2.0000
+ 2.0 18 c=_1 o'_ 1.3550 78.2279 2.0000
+ 2.0 18 c=_1 h_ 1.0900 90.4000 2.0000
+ 2.0 18 c=_1 p_ 1.7250 62.7497 2.0000
+ 2.0 18 c=_1 s_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_1 sp_ 1.7450 60.2470 2.0000
+ 2.0 18 c=_1 s'_ 1.7450 63.9470 2.0000
+ 2.0 18 c=_1 f_ 1.3950 71.2830 2.0000
+ 2.0 18 c=_1 cl_ 1.7320 69.6283 2.0000
+ 2.0 18 c=_1 br_ 1.8800 63.4252 2.0000
+ 2.0 18 c=_1 i_ 2.0660 58.3608 2.0000
+ 2.0 18 c=_1 si_ 1.8350 60.2606 2.0000
+ 2.0 18 c=_2 np_ 1.4100 82.9685 2.0000
+ 2.0 18 c=_2 o_ 1.3680 88.7997 2.0000
+ 2.0 18 c=_2 op_ 1.3550 85.1279 2.0000
+ 2.0 18 c=_2 o'_ 1.3550 78.2279 2.0000
+ 2.0 18 c=_2 h_ 1.0900 90.4000 2.0000
+ 2.0 18 c=_2 p_ 1.7250 62.7497 2.0000
+ 2.0 18 c=_2 s_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_2 sp_ 1.7450 60.2470 2.0000
+ 2.0 18 c=_2 s'_ 1.7450 63.9470 2.0000
+ 2.0 18 c=_2 f_ 1.3950 71.2830 2.0000
+ 2.0 18 c=_2 cl_ 1.7320 69.6283 2.0000
+ 2.0 18 c=_2 br_ 1.8800 63.4252 2.0000
+ 2.0 18 c=_2 i_ 2.0660 58.3608 2.0000
+ 2.0 18 c=_2 si_ 1.8350 60.2606 2.0000
+ 2.0 18 c=_3 np_ 1.4100 82.9685 2.0000
+ 2.0 18 c=_3 o_ 1.3680 88.7997 2.0000
+ 2.0 18 c=_3 op_ 1.3550 85.1279 2.0000
+ 2.0 18 c=_3 o'_ 1.3550 78.2279 2.0000
+ 2.0 18 c=_3 h_ 1.0900 90.4000 2.0000
+ 2.0 18 c=_3 p_ 1.7250 62.7497 2.0000
+ 2.0 18 c=_3 s_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_3 sp_ 1.7450 60.2470 2.0000
+ 2.0 18 c=_3 s'_ 1.7450 63.9470 2.0000
+ 2.0 18 c=_3 f_ 1.3950 71.2830 2.0000
+ 2.0 18 c=_3 cl_ 1.7320 69.6283 2.0000
+ 2.0 18 c=_3 br_ 1.8800 63.4252 2.0000
+ 2.0 18 c=_3 i_ 2.0660 58.3608 2.0000
+ 2.0 18 c=_3 si_ 1.8350 60.2606 2.0000
+ 2.0 18 cr_ n=_ 1.2600 140.0000 2.0000
+ 2.0 18 cr_ n=_1 1.2600 140.0000 2.0000
+ 2.0 18 cr_ n=_2 1.2600 140.0000 2.0000
+ 2.0 18 cr_ n=_3 1.2600 140.0000 2.0000
+ 2.0 18 cr_ n_ 1.3200 97.0000 2.0000
+ 2.0 18 ct_ ct_ 1.2040 200.0000 2.0000
+ 2.0 18 ct_ nt_ 1.1580 220.0000 2.0000
+ 2.0 18 ct_ na_ 1.3820 71.7024 2.0000
+ 2.0 18 ct_ n_ 1.3550 72.3612 2.0000
+ 2.0 18 ct_ n=_ 1.3550 85.5612 2.0000
+ 2.0 18 ct_ n=_1 1.3550 85.5612 2.0000
+ 2.0 18 ct_ n=_2 1.3550 85.5612 2.0000
+ 2.0 18 ct_ n=_3 1.3550 85.5612 2.0000
+ 2.0 18 ct_ n+_ 1.3820 69.5942 2.0000
+ 2.0 18 ct_ o_ 1.3130 91.9541 2.0000
+ 2.0 18 ct_ s_ 1.7200 67.8582 2.0000
+ 2.0 18 ct_ op_ 1.3000 86.6170 2.0000
+ 2.0 18 ct_ o'_ 1.3000 79.7170 2.0000
+ 2.0 18 ct_ sp_ 1.6900 64.0086 2.0000
+ 2.0 18 ct_ s'_ 1.6900 67.7086 2.0000
+ 2.0 18 ct_ p_ 1.6700 68.3667 2.0000
+ 2.0 18 ct_ h_ 1.0530 101.1528 1.7700
+ 2.0 18 ct_ f_ 1.3400 69.5983 2.0000
+ 2.0 18 ct_ cl_ 1.6770 73.0488 2.0000
+ 2.0 18 ct_ br_ 1.8250 67.2132 2.0000
+ 2.0 18 ct_ i_ 2.0110 62.2317 2.0000
+ 2.0 18 ct_ si_ 1.7800 66.8241 2.0000
+ 2.0 18 na_ na_ 1.3940 55.2000 2.0000
+ 2.0 18 na_ n_ 1.3670 55.4242 2.0000
+ 2.0 18 na_ np_ 1.3670 68.6242 2.0000
+ 2.0 18 na_ n=_ 1.3670 68.6242 2.0000
+ 2.0 18 na_ n=_1 1.3670 68.6242 2.0000
+ 2.0 18 na_ n=_2 1.3670 68.6242 2.0000
+ 2.0 18 na_ n=_3 1.3670 68.6242 2.0000
+ 2.0 18 na_ n+_ 1.3940 52.7898 2.0000
+ 2.0 18 na_ o_ 1.3250 75.3375 2.0000
+ 2.0 18 na_ s_ 1.7320 51.7351 2.0000
+ 2.0 18 na_ op_ 1.3120 68.5440 2.0000
+ 2.0 18 na_ o'_ 1.3120 61.6440 2.0000
+ 2.0 18 na_ sp_ 1.7020 47.7438 2.0000
+ 2.0 18 na_ s'_ 1.7020 51.4438 2.0000
+ 2.0 18 na_ p_ 1.6820 52.6350 2.0000
+ 2.0 18 na_ h_ 1.0260 88.0000 2.2800
+ 2.0 18 na_ f_ 1.3520 50.2463 2.0000
+ 2.0 18 na_ cl_ 1.6890 56.6065 2.0000
+ 2.0 18 na_ br_ 1.8370 50.9585 2.0000
+ 2.0 18 na_ i_ 2.0230 46.0026 2.0000
+ 2.0 18 na_ si_ 1.7920 51.1059 2.0000
+ 2.0 18 n_ n_ 1.3400 55.0000 2.0000
+ 2.0 18 n_ np_ 1.3400 68.2000 2.0000
+ 2.0 18 n_ n=_ 1.3400 68.2000 2.0000
+ 2.0 18 n_ n=_1 1.3400 68.2000 2.0000
+ 2.0 18 n_ n=_2 1.3400 68.2000 2.0000
+ 2.0 18 n_ n=_3 1.3400 68.2000 2.0000
+ 2.0 18 n_ n+_ 1.3670 52.6590 2.0000
+ 2.0 18 n_ o_ 1.2980 75.3158 2.0000
+ 2.0 18 n_ s_ 1.7050 52.6552 2.0000
+ 2.0 18 n_ op_ 1.2850 66.7770 2.0000
+ 2.0 18 n_ o'_ 1.2850 59.8770 2.0000
+ 2.0 18 n_ sp_ 1.6750 48.3711 2.0000
+ 2.0 18 n_ s'_ 1.6750 52.0711 2.0000
+ 2.0 18 n_ p_ 1.6550 54.9881 2.0000
+ 2.0 18 n_ h_ 1.0260 93.0000 2.2800
+ 2.0 18 n_ f_ 1.3250 47.3464 2.0000
+ 2.0 18 n_ cl_ 1.6620 56.8901 2.0000
+ 2.0 18 n_ br_ 1.8100 51.5995 2.0000
+ 2.0 18 n_ i_ 1.9960 46.6743 2.0000
+ 2.0 18 n_ si_ 1.7650 54.2016 2.0000
+ 2.0 18 np_ np_ 1.3400 102.0000 2.0000
+ 2.0 18 np_ n=_ 1.3400 81.4000 2.0000
+ 2.0 18 np_ n=_1 1.3400 81.4000 2.0000
+ 2.0 18 np_ n=_2 1.3400 81.4000 2.0000
+ 2.0 18 np_ n=_3 1.3400 81.4000 2.0000
+ 2.0 18 np_ n+_ 1.3670 65.8590 2.0000
+ 2.0 18 np_ o_ 1.2980 88.5158 2.0000
+ 2.0 18 np_ o'_ 1.2850 73.0770 2.0000
+ 2.0 18 np_ o-_ 1.2850 79.9770 2.0000
+ 2.0 18 np_ op_ 1.2850 79.9770 2.0000
+ 2.0 18 np_ s_ 1.7050 65.8552 2.0000
+ 2.0 18 np_ s'_ 1.6750 65.2711 2.0000
+ 2.0 18 np_ sp_ 1.6750 61.5711 2.0000
+ 2.0 18 np_ p_ 1.6550 68.1881 2.0000
+ 2.0 18 np_ h_ 1.0260 93.0000 2.2800
+ 2.0 18 np_ f_ 1.3250 60.5464 2.0000
+ 2.0 18 np_ cl_ 1.6620 70.0901 2.0000
+ 2.0 18 np_ br_ 1.8100 64.7995 2.0000
+ 2.0 18 np_ i_ 1.9960 59.8743 2.0000
+ 2.0 18 np_ si_ 1.7650 67.4016 2.0000
+ 2.0 18 n=_ n=_ 1.2100 162.8000 2.0000
+ 2.0 18 n=_3 n=_3 1.2100 162.8000 2.0000
+ 2.0 18 n=_1 n=_3 1.2100 162.8000 2.0000
+ 2.0 18 n=_2 n=_2 1.2760 122.0000 2.0000
+ 2.0 18 n=_1 n=_2 1.3400 81.4000 2.0000
+ 2.0 18 n=_1 n=_1 1.3400 81.4000 2.0000
+ 2.0 18 n=_2 n=_3 1.3400 81.4000 2.0000
+ 2.0 18 n=_ n+_ 1.3670 65.8590 2.0000
+ 2.0 18 n=_ o_ 1.2980 88.5158 2.0000
+ 2.0 18 n=_1 n+_ 1.3670 65.8590 2.0000
+ 2.0 18 n=_1 o_ 1.2980 88.5158 2.0000
+ 2.0 18 n=_2 n+_ 1.3670 65.8590 2.0000
+ 2.0 18 n=_2 o_ 1.2980 88.5158 2.0000
+ 2.0 18 n=_3 n+_ 1.3670 65.8590 2.0000
+ 2.0 18 n=_3 o_ 1.2980 88.5158 2.0000
+ 2.0 18 n=_ o'_ 1.1600 143.9680 2.0000
+ 2.0 18 n=_1 o'_ 1.2850 73.0770 2.0000
+ 2.0 18 n=_2 o'_ 1.2225 108.5225 2.0000
+ 2.0 18 n=_3 o'_ 1.1600 143.9680 2.0000
+ 2.0 18 n= o-_ 1.2225 108.5225 2.0000
+ 2.0 18 n=_ o-_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_1 o-_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_2 o-_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_3 o-_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_ op_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_1 op_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_2 op_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_3 op_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_ s_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_1 s_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_2 s_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_3 s_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_ sp_ 1.6750 61.5711 2.0000
+ 2.0 18 n=_1 sp_ 1.6750 61.5711 2.0000
+ 2.0 18 n=_2 sp_ 1.6750 61.5711 2.0000
+ 2.0 18 n=_3 sp_ 1.6750 61.5711 2.0000
+ 2.0 18 n=_ s'_ 1.5900 122.3100 2.0000
+ 2.0 18 n=_1 s'_ 1.6750 65.2711 2.0000
+ 2.0 18 n=_2 s'_ 1.6325 93.7906 2.0000
+ 2.0 18 n=_3 s'_ 1.5900 122.3100 2.0000
+ 2.0 18 n=_ p_ 1.6550 68.1881 2.0000
+ 2.0 18 n=_ h_ 1.0380 106.0338 2.2800
+ 2.0 18 n=_ f_ 1.3250 60.5464 2.0000
+ 2.0 18 n=_ cl_ 1.6620 70.0901 2.0000
+ 2.0 18 n=_ br_ 1.8100 64.7995 2.0000
+ 2.0 18 n=_ i_ 1.9960 59.8743 2.0000
+ 2.0 18 n=_ si_ 1.7650 67.4016 2.0000
+ 2.0 18 n=_1 p_ 1.6550 68.1881 2.0000
+ 2.0 18 n=_1 h_ 1.0380 106.0338 2.2800
+ 2.0 18 n=_1 f_ 1.3250 60.5464 2.0000
+ 2.0 18 n=_1 cl_ 1.6620 70.0901 2.0000
+ 2.0 18 n=_1 br_ 1.8100 64.7995 2.0000
+ 2.0 18 n=_1 i_ 1.9960 59.8743 2.0000
+ 2.0 18 n=_1 si_ 1.7650 67.4016 2.0000
+ 2.0 18 n=_2 p_ 1.6550 68.1881 2.0000
+ 2.0 18 n=_2 h_ 1.0380 106.0338 2.2800
+ 2.0 18 n=_2 f_ 1.3250 60.5464 2.0000
+ 2.0 18 n=_2 cl_ 1.6620 70.0901 2.0000
+ 2.0 18 n=_2 br_ 1.8100 64.7995 2.0000
+ 2.0 18 n=_2 i_ 1.9960 59.8743 2.0000
+ 2.0 18 n=_2 si_ 1.7650 67.4016 2.0000
+ 2.0 18 n=_3 p_ 1.6550 68.1881 2.0000
+ 2.0 18 n=_3 h_ 1.0380 106.0338 2.2800
+ 2.0 18 n=_3 f_ 1.3250 60.5464 2.0000
+ 2.0 18 n=_3 cl_ 1.6620 70.0901 2.0000
+ 2.0 18 n=_3 br_ 1.8100 64.7995 2.0000
+ 2.0 18 n=_3 i_ 1.9960 59.8743 2.0000
+ 2.0 18 n=_3 si_ 1.7650 67.4016 2.0000
+ 2.0 18 n+_ n+_ 1.3940 48.3901 2.0000
+ 2.0 18 n+_ o_ 1.3250 72.7505 2.0000
+ 2.0 18 n+_ s_ 1.7320 50.0292 2.0000
+ 2.0 18 n+_ op_ 1.3120 65.4265 2.0000
+ 2.0 18 n+_ o'_ 1.3120 58.5265 2.0000
+ 2.0 18 n+_ sp_ 1.7020 45.8238 2.0000
+ 2.0 18 n+_ s'_ 1.7020 49.5238 2.0000
+ 2.0 18 n+_ p_ 1.6820 52.2884 2.0000
+ 2.0 18 n+_ h_ 1.0650 88.7167 2.2800
+ 2.0 18 n+_ f_ 1.3520 44.5093 2.0000
+ 2.0 18 n+_ cl_ 1.6890 54.4312 2.0000
+ 2.0 18 n+_ br_ 1.8370 49.1485 2.0000
+ 2.0 18 n+_ i_ 2.0230 44.3191 2.0000
+ 2.0 18 n+_ si_ 1.7920 51.7353 2.0000
+ 2.0 18 nz_ nz_ 1.09758 226.8 2.6829
+ 2.0 18 nt_ nt_ 1.09758 226.8000 2.6829
+ 2.0 18 o_ o_ 1.20800 118.86 2.6484
+ 2.0 18 o_ s_ 1.6930 72.0212 2.0000
+ 2.0 18 o_ op_ 1.2430 87.6930 2.0000
+ 2.0 18 o_ o'_ 1.2430 80.7930 2.0000
+ 2.0 18 o_ sp_ 1.6330 67.9896 2.0000
+ 2.0 18 o_ s'_ 1.6330 71.6896 2.0000
+ 2.0 18 o_ p_ 1.6100 61.3000 2.0000
+ 2.0 18 o_ si_ 1.6650 98.2000 2.0000
+ 2.0 18 o_ h_ 0.9600 95.0000 2.2800
+ 2.0 18 o_ f_ 1.4180 56.0000 2.0000
+ 2.0 18 o_ cl_ 1.6500 76.7658 2.0000
+ 2.0 18 o_ br_ 1.7980 71.1997 2.0000
+ 2.0 18 o_ i_ 1.9840 66.2467 2.0000
+ 2.0 18 o'_ o'_ 1.1100 121.2000 2.0000
+ 2.0 18 o'_ op_ 1.2300 68.1000 2.0000
+ 2.0 18 o'_ s_ 1.5900 90.1047 2.0000
+ 2.0 18 o'_ sp_ 1.5600 85.3184 2.0000
+ 2.0 18 o'_ s'_ 1.5400 105.3797 2.0000
+ 2.0 18 o'_ p_ 1.4800 131.0000 2.0000
+ 2.0 18 o'_ h_ 0.9830 114.6152 2.0000
+ 2.0 18 o'_ f_ 1.2700 51.0126 2.0000
+ 2.0 18 o'_ cl_ 1.6070 62.9485 2.0000
+ 2.0 18 o'_ br_ 1.7550 58.3239 2.0000
+ 2.0 18 o'_ i_ 1.9410 53.3079 2.0000
+ 2.0 18 o'_ si_ 1.6500 113.6866 2.0000
+ 2.0 18 op_ op_ 1.2300 75.0000 2.0000
+ 2.0 18 op_ s_ 1.6800 66.6937 2.0000
+ 2.0 18 op_ sp_ 1.6500 61.9610 2.0000
+ 2.0 18 op_ s'_ 1.6200 65.7436 2.0000
+ 2.0 18 op_ p_ 1.6300 71.5226 2.0000
+ 2.0 18 op_ h_ 0.9830 121.5152 2.0000
+ 2.0 18 op_ f_ 1.2700 57.9126 2.0000
+ 2.0 18 op_ cl_ 1.6070 69.8485 2.0000
+ 2.0 18 op_ br_ 1.7550 65.2239 2.0000
+ 2.0 18 op_ i_ 1.9410 60.2079 2.0000
+ 2.0 18 op_ si 1.5870 73.0600 2.0000
+ 2.0 18 o-_ p_ 1.4800 107.0000 2.0000
+ 2.0 18 s_ s_ 2.0547 45.0000 2.0000
+ 2.0 18 s_ sp_ 2.0400 43.7815 2.0000
+ 2.0 18 s_ s'_ 2.0400 47.4815 2.0000
+ 2.0 18 s_ p_ 2.0200 46.7198 2.0000
+ 2.0 18 s_ h_ 1.3300 87.5000 1.7700
+ 2.0 18 s_ f_ 1.6900 51.2046 2.0000
+ 2.0 18 s_ cl_ 2.0270 53.0203 2.0000
+ 2.0 18 s_ br_ 2.1750 46.9709 2.0000
+ 2.0 18 s_ i_ 2.3610 41.9406 2.0000
+ 2.0 18 s_ si_ 2.1300 44.3232 2.0000
+ 2.0 18 s'_ s'_ 1.9700 80.0000 2.0000
+ 2.0 18 s'_ p_ 1.9700 63.8131 2.0000
+ 2.0 18 s'_ h_ 1.3730 79.2035 2.0000
+ 2.0 18 s'_ f_ 1.6600 48.8255 2.0000
+ 2.0 18 s'_ cl_ 1.9970 52.7842 2.0000
+ 2.0 18 s'_ br_ 2.1450 46.9004 2.0000
+ 2.0 18 s'_ i_ 2.3310 41.9068 2.0000
+ 2.0 18 s'_ si_ 2.0800 61.8936 2.0000
+ 2.0 18 s-_ p_ 1.9800 52.7450 2.0000
+ 2.0 18 sp_ sp_ 2.0100 40.0000 2.0000
+ 2.0 18 sp_ s'_ 1.9900 60.0000 2.0000
+ 2.0 18 sp_ p_ 1.9900 43.7949 2.0000
+ 2.0 18 sp_ h_ 1.3730 75.5035 1.7700
+ 2.0 18 sp_ f_ 1.6600 45.1255 2.0000
+ 2.0 18 sp_ cl_ 1.9970 49.0842 2.0000
+ 2.0 18 sp_ br_ 2.1450 43.2004 2.0000
+ 2.0 18 sp_ i_ 2.3310 38.2068 2.0000
+ 2.0 18 sp_ si_ 2.1000 41.8565 2.0000
+ 2.0 18 p_ p_ 1.9700 44.0000 2.0000
+ 2.0 18 p_ h_ 1.4300 56.0000 2.0000
+ 2.0 18 p_ f_ 1.5400 57.5916 2.0000
+ 2.0 18 p_ cl_ 2.0430 52.2057 2.0000
+ 2.0 18 p_ br_ 2.1800 45.7868 2.0000
+ 2.0 18 p_ i_ 2.3110 40.6770 2.0000
+ 2.0 18 p_ si_ 1.9170 42.0518 2.0000
+ 2.0 18 h_ h_ 0.74611 104.207 1.9561
+ 2.0 18 h_ f_ 1.0230 130.1826 2.0000
+ 2.0 18 h_ cl_ 1.3600 86.4756 2.0000
+ 2.0 18 h_ br_ 1.5080 78.5432 2.0000
+ 2.0 18 h_ i_ 1.6940 73.0108 2.0000
+ 2.0 18 h_ si_ 1.4630 72.0792 2.0000
+ 2.0 18 d_ d_ 0.74164 106.010 1.9382
+ 2.0 18 f_ f_ 1.4170 37.5 2.6284
+ 2.0 18 f_ cl_ 1.6470 51.7795 2.0000
+ 2.0 18 f_ br_ 1.7950 48.3750 2.0000
+ 2.0 18 f_ i_ 1.9810 43.5416 2.0000
+ 2.0 18 f_ si_ 1.5870 74.3350 2.0000
+ 2.0 18 cl_ cl_ 1.988 58.066 2.0183
+ 2.0 18 cl_ br_ 2.1320 52.2969 2.0000
+ 2.0 18 cl_ i_ 2.3180 47.3349 2.0000
+ 2.0 18 cl_ si_ 2.0870 51.9937 2.0000
+ 2.0 18 br_ br_ 2.290 46.336 1.9469
+ 2.0 18 br_ i_ 2.4660 41.4039 2.0000
+ 2.0 18 br_ si_ 2.2350 45.0580 2.0000
+ 2.0 18 i_ i_ 2.662 36.46 1.8383
+ 2.0 18 i_ si_ 2.4210 39.7416 2.0000
+ 2.0 18 si_ si_ 3.0900 36.0000 2.0000
+
+#quadratic_bond cvff_auto
+
+> E = K2 * (R - R0)^2
+
+!Ver Ref I J R0 K2
+!---- --- ---- ---- ------- --------
+ 2.0 18 c3m_ c3m_ 1.5100 322.7158
+ 2.0 18 c3m_ c4m_ 1.5260 322.7158
+ 2.0 18 c3m_ c_ 1.5260 322.7158
+ 2.0 18 c3m_ c'_ 1.5200 283.0924
+ 2.0 18 c3m_ cp_ 1.5100 283.0924
+ 2.0 18 c3m_ c=_ 1.5000 322.8000
+ 2.0 18 c3m_ c=_1 1.5000 322.8000
+ 2.0 18 c3m_ c=_2 1.5000 322.8000
+ 2.0 18 c3m_ c=_3 1.5000 322.8000
+ 2.0 18 c3m_ ct_ 1.4000 340.0000
+ 2.0 18 c3m_ na_ 1.4700 356.5988
+ 2.0 18 c3m_ n3m_ 1.4850 356.5988
+ 2.0 18 c3m_ n4m_ 1.4700 356.5988
+ 2.0 18 c3m_ n_ 1.4600 377.5752
+ 2.0 18 c3m_ np_ 1.4750 336.8000
+ 2.0 18 c3m_ n=_ 1.4750 336.8000
+ 2.0 18 c3m_ n=_1 1.4750 336.8000
+ 2.0 18 c3m_ n=_2 1.4750 336.8000
+ 2.0 18 c3m_ n=_3 1.4750 336.8000
+ 2.0 18 c3m_ n+_ 1.4620 270.8836
+ 2.0 18 c3m_ o_ 1.4250 273.2000
+ 2.0 18 c3m_ o'_ 1.3800 318.9484
+ 2.0 18 c3m_ o3e_ 1.4340 273.2000
+ 2.0 18 c3m_ o4e_ 1.4250 273.2000
+ 2.0 18 c3m_ op_ 1.3800 346.5484
+ 2.0 18 c3m_ s_ 1.8000 228.0000
+ 2.0 18 c3m_ sp_ 1.7700 242.5324
+ 2.0 18 c3m_ s'_ 1.7700 257.3324
+ 2.0 18 c3m_ s3e_ 1.8000 228.0000
+ 2.0 18 c3m_ s4e_ 1.8000 228.0000
+ 2.0 18 c3m_ h_ 1.1050 340.6175
+ 2.0 18 c3m_ p_ 1.7500 249.1344
+ 2.0 18 c3m_ f_ 1.3630 496.0000
+ 2.0 18 c3m_ cl_ 1.7610 314.0000
+ 2.0 18 c3m_ br_ 1.9200 223.6000
+ 2.0 18 c3m_ si_ 1.8090 238.0000
+ 2.0 18 c3m_ i_ 2.1200 200.0000
+ 2.0 18 c4m_ c4m_ 1.5520 322.7158
+ 2.0 18 c4m_ c_ 1.5260 322.7158
+ 2.0 18 c4m_ c'_ 1.5200 283.0924
+ 2.0 18 c4m_ cp_ 1.5100 283.0924
+ 2.0 18 c4m_ c=_ 1.5000 322.8000
+ 2.0 18 c4m_ c=_1 1.5000 322.8000
+ 2.0 18 c4m_ c=_2 1.5000 322.8000
+ 2.0 18 c4m_ c=_3 1.5000 322.8000
+ 2.0 18 c4m_ ct_ 1.4000 340.0000
+ 2.0 18 c4m_ na_ 1.4700 356.5988
+ 2.0 18 c4m_ n3m_ 1.4700 356.5988
+ 2.0 18 c4m_ n4m_ 1.4670 356.5988
+ 2.0 18 c4m_ n_ 1.4600 377.5752
+ 2.0 18 c4m_ np_ 1.4750 336.8000
+ 2.0 18 c4m_ n=_ 1.4750 336.8000
+ 2.0 18 c4m_ n=_1 1.4750 336.8000
+ 2.0 18 c4m_ n=_2 1.4750 336.8000
+ 2.0 18 c4m_ n=_3 1.4750 336.8000
+ 2.0 18 c4m_ n+_ 1.4620 270.8836
+ 2.0 18 c4m_ o_ 1.4250 273.2000
+ 2.0 18 c4m_ o'_ 1.3800 318.9484
+ 2.0 18 c4m_ o3e_ 1.4250 273.2000
+ 2.0 18 c4m_ o4e_ 1.4462 273.2000
+ 2.0 18 c4m_ op_ 1.3800 346.5484
+ 2.0 18 c4m_ s_ 1.8000 228.0000
+ 2.0 18 c4m_ sp_ 1.7700 242.5324
+ 2.0 18 c4m_ s'_ 1.7700 257.3324
+ 2.0 18 c4m_ s3e_ 1.8000 228.0000
+ 2.0 18 c4m_ s4e_ 1.8470 228.0000
+ 2.0 18 c4m_ h_ 1.1050 340.6175
+ 2.0 18 c4m_ p_ 1.7500 249.1344
+ 2.0 18 c4m_ f_ 1.3630 496.0000
+ 2.0 18 c4m_ cl_ 1.7610 314.0000
+ 2.0 18 c4m_ br_ 1.9200 223.6000
+ 2.0 18 c4m_ si_ 1.8090 238.0000
+ 2.0 18 c4m_ i_ 2.1200 200.0000
+ 2.0 18 c_ n3m_ 1.4700 356.5988
+ 2.0 18 c_ n4m_ 1.4700 356.5988
+ 2.0 18 c'_ n3m_ 1.4460 272.0000
+ 2.0 18 c'_ n4m_ 1.4000 332.0000
+ 2.0 18 c'_ s3e_ 1.7700 175.0035
+ 2.0 18 c'_ s4e_ 1.7700 175.0035
+ 2.0 18 cp_ n3m_ 1.4200 280.0000
+ 2.0 18 cp_ n4m_ 1.4200 280.0000
+ 2.0 18 cp_ s3e 1.7300 228.0000
+ 2.0 18 cp_ s4e 1.7300 228.0000
+ 2.0 18 c=_ n3m_ 1.4370 273.7168
+ 2.0 18 c=_ n4m_ 1.4370 273.7168
+ 2.0 18 c=_1 n3m_ 1.4370 273.7168
+ 2.0 18 c=_1 n4m_ 1.4370 273.7168
+ 2.0 18 c=_2 n3m_ 1.4370 273.7168
+ 2.0 18 c=_2 n4m_ 1.4370 273.7168
+ 2.0 18 c=_3 n3m_ 1.4370 273.7168
+ 2.0 18 c=_3 n4m_ 1.4370 273.7168
+ 2.0 18 c=_ s3e_ 1.7750 254.9440
+ 2.0 18 c=_ s4e_ 1.7750 254.9440
+ 2.0 18 c=_1 s3e_ 1.7750 254.9440
+ 2.0 18 c=_1 s4e_ 1.7750 254.9440
+ 2.0 18 c=_2 s3e_ 1.7750 254.9440
+ 2.0 18 c=_2 s4e_ 1.7750 254.9440
+ 2.0 18 c=_3 s3e_ 1.7750 254.9440
+ 2.0 18 c=_3 s4e_ 1.7750 254.9440
+ 2.0 18 ct_ n3m_ 1.3820 286.8096
+ 2.0 18 ct_ n4m_ 1.3820 286.8096
+ 2.0 18 ct_ s3e_ 1.7200 271.4328
+ 2.0 18 ct_ s4e_ 1.7200 271.4328
+ 2.0 18 na_ n3m_ 1.3940 220.8000
+ 2.0 18 na_ n4m_ 1.3940 220.8000
+ 2.0 18 na_ s3e_ 1.7320 206.9404
+ 2.0 18 na_ s4e_ 1.7320 206.9404
+ 2.0 18 n3m_ n3m_ 1.3940 220.8000
+ 2.0 18 n3m_ n4m_ 1.3940 220.8000
+ 2.0 18 n3m_ n_ 1.3670 221.6968
+ 2.0 18 n3m_ np_ 1.3670 274.4968
+ 2.0 18 n3m_ n=_ 1.3670 274.4968
+ 2.0 18 n3m_ n=_1 1.3670 274.4968
+ 2.0 18 n3m_ n=_2 1.3670 274.4968
+ 2.0 18 n3m_ n=_3 1.3670 274.4968
+ 2.0 18 n3m_ n+_ 1.3940 211.1592
+ 2.0 18 n3m_ o_ 1.3250 301.3500
+ 2.0 18 n3m_ op_ 1.3120 274.1760
+ 2.0 18 n3m_ o'_ 1.3120 246.5760
+ 2.0 18 n3m_ s_ 1.7320 206.9404
+ 2.0 18 n3m_ sp_ 1.7020 190.9752
+ 2.0 18 n3m_ s'_ 1.7020 205.7752
+ 2.0 18 n3m_ s3e_ 1.7320 206.9404
+ 2.0 18 n3m_ s4e_ 1.7320 206.9404
+ 2.0 18 n3m_ p_ 1.6820 210.5400
+ 2.0 18 n3m_ h_ 1.0260 457.4592
+ 2.0 18 n3m_ f_ 1.3520 200.9852
+ 2.0 18 n3m_ cl_ 1.6890 226.4260
+ 2.0 18 n3m_ br_ 1.8370 203.8340
+ 2.0 18 n3m_ i_ 2.0230 184.0104
+ 2.0 18 n3m_ si_ 1.7920 204.4236
+ 2.0 18 n4m_ n4m_ 1.3940 220.8000
+ 2.0 18 n4m_ n_ 1.3670 221.6968
+ 2.0 18 n4m_ np_ 1.3670 274.4968
+ 2.0 18 n4m_ n=_ 1.3670 274.4968
+ 2.0 18 n4m_ n=_1 1.3670 274.4968
+ 2.0 18 n4m_ n=_2 1.3670 274.4968
+ 2.0 18 n4m_ n=_3 1.3670 274.4968
+ 2.0 18 n4m_ n+_ 1.3940 211.1592
+ 2.0 18 n4m_ o_ 1.3250 301.3500
+ 2.0 18 n4m_ op_ 1.3120 274.1760
+ 2.0 18 n4m_ o'_ 1.3120 246.5760
+ 2.0 18 n4m_ s_ 1.7320 206.9404
+ 2.0 18 n4m_ sp_ 1.7020 190.9752
+ 2.0 18 n4m_ s'_ 1.7020 205.7752
+ 2.0 18 n4m_ s3e_ 1.7320 206.9404
+ 2.0 18 n4m_ s4e_ 1.7320 206.9404
+ 2.0 18 n4m_ p_ 1.6820 210.5400
+ 2.0 18 n4m_ h_ 1.0260 457.4592
+ 2.0 18 n4m_ f_ 1.3520 200.9852
+ 2.0 18 n4m_ cl_ 1.6890 226.4260
+ 2.0 18 n4m_ br_ 1.8370 203.8340
+ 2.0 18 n4m_ i_ 2.0230 184.0104
+ 2.0 18 n4m_ si_ 1.7920 204.4236
+ 2.0 18 n_ s3e_ 1.7050 210.6208
+ 2.0 18 n_ s4e_ 1.7050 210.6208
+ 2.0 18 np_ s3e_ 1.7050 263.4208
+ 2.0 18 np_ s4e_ 1.7050 263.4208
+ 2.0 18 n=_ s3e_ 1.7050 263.4208
+ 2.0 18 n=_ s4e_ 1.7050 263.4208
+ 2.0 18 n=_1 s3e_ 1.7050 263.4208
+ 2.0 18 n=_1 s4e_ 1.7050 263.4208
+ 2.0 18 n=_2 s3e_ 1.7050 263.4208
+ 2.0 18 n=_2 s4e_ 1.7050 263.4208
+ 2.0 18 n=_3 s3e_ 1.7050 263.4208
+ 2.0 18 n=_3 s4e_ 1.7050 263.4208
+ 2.0 18 o_ s3e_ 1.6930 288.0848
+ 2.0 18 o_ s4e_ 1.6930 288.0848
+ 2.0 18 op_ s3e_ 1.6800 266.7748
+ 2.0 18 op_ s4e_ 1.6800 266.7748
+ 2.0 18 o'_ s3e_ 1.6500 239.5744
+ 2.0 18 o'_ s4e_ 1.6500 239.5744
+ 2.0 18 s_ s3e_ 2.1000 160.0000
+ 2.0 18 s_ s4e_ 2.1000 160.0000
+ 2.0 18 sp_ s3e_ 2.0400 175.1260
+ 2.0 18 sp_ s4e_ 2.0400 175.1260
+ 2.0 18 s'_ s3e_ 2.0400 189.9260
+ 2.0 18 s'_ s4e_ 2.0400 189.9260
+ 2.0 18 s3e_ s3e_ 2.0000 180.0000
+ 2.0 18 s3e_ s4e_ 2.0000 180.0000
+ 2.0 18 s3e_ p_ 2.0200 186.8792
+ 2.0 18 s3e_ h_ 1.3300 274.1288
+ 2.0 18 s3e_ f_ 1.6900 204.8184
+ 2.0 18 s3e_ cl_ 2.0270 212.0812
+ 2.0 18 s3e_ br_ 2.1750 187.8836
+ 2.0 18 s3e_ i_ 2.3610 167.7624
+ 2.0 18 s3e_ si_ 2.1300 177.2928
+ 2.0 18 s4e_ s4e_ 2.0000 180.0000
+ 2.0 18 s4e_ p_ 2.0200 186.8792
+ 2.0 18 s4e_ h_ 1.3300 274.1288
+ 2.0 18 s4e_ f_ 1.6900 204.8184
+ 2.0 18 s4e_ cl_ 2.0270 212.0812
+ 2.0 18 s4e_ br_ 2.1750 187.8836
+ 2.0 18 s4e_ i_ 2.3610 167.7624
+ 2.0 18 s4e_ si_ 2.1300 177.2928
+ 2.0 18 c_ c_ 1.5260 322.7158
+ 2.0 18 c_ c'_ 1.5200 283.0924
+ 2.0 18 c_ cp_ 1.5100 283.0924
+ 2.0 18 c_ c=_ 1.5000 322.8000
+ 2.0 18 c_ c=_1 1.5000 322.8000
+ 2.0 18 c_ c=_2 1.5000 322.8000
+ 2.0 18 c_ c=_3 1.5000 322.8000
+ 2.0 18 c_ ct_ 1.4000 340.0000
+ 2.0 18 c_ na_ 1.4700 356.5988
+ 2.0 18 c_ n_ 1.4600 377.5752
+ 2.0 18 c_ np_ 1.4750 336.8000
+ 2.0 18 c_ n=_ 1.4750 336.8000
+ 2.0 18 c_ n=_1 1.4750 336.8000
+ 2.0 18 c_ n=_2 1.4750 336.8000
+ 2.0 18 c_ n=_3 1.4750 336.8000
+ 2.0 18 c_ n+_ 1.4620 270.8836
+ 2.0 18 c_ o_ 1.4250 273.2000
+ 2.0 18 c_ op_ 1.3800 346.5484
+ 2.0 18 c_ o'_ 1.3800 318.9484
+ 2.0 18 c_ s_ 1.8000 228.0000
+ 2.0 18 c_ sp_ 1.7700 242.5324
+ 2.0 18 c_ s'_ 1.7700 257.3324
+ 2.0 18 c_ h_ 1.1050 340.6175
+ 2.0 18 c_ p_ 1.7500 249.1344
+ 2.0 18 c_ f_ 1.3630 496.0000
+ 2.0 18 c_ cl_ 1.7610 314.0000
+ 2.0 18 c_ br_ 1.9200 223.6000
+ 2.0 18 c_ si_ 1.8090 238.0000
+ 2.0 18 c_ i_ 2.1200 200.0000
+ 2.0 18 c'_ c'_ 1.5000 266.4000
+ 2.0 18 c'_ cp_ 1.5000 284.3316
+ 2.0 18 c'_ c=_ 1.5000 322.8000
+ 2.0 18 c'_ c=_1 1.5000 322.8000
+ 2.0 18 c'_ c=_2 1.5000 322.8000
+ 2.0 18 c'_ c=_3 1.5000 322.8000
+ 2.0 18 c'_ ct_ 1.4200 311.1492
+ 2.0 18 c'_ n_ 1.3600 388.0000
+ 2.0 18 c'_ n=_ 1.4050 296.2996
+ 2.0 18 c'_ n=_1 1.4050 296.2996
+ 2.0 18 c'_ n=_2 1.4050 296.2996
+ 2.0 18 c'_ n=_3 1.4050 296.2996
+ 2.0 18 c'_ np_ 1.4050 296.2996
+ 2.0 18 c'_ o_ 1.3400 400.0000
+ 2.0 18 c'_ o'_ 1.2200 615.3220
+ 2.0 18 c'_ o-_ 1.2500 572.8860
+ 2.0 18 c'_ op_ 1.3500 294.1008
+ 2.0 18 c'_ s_ 1.7700 175.0035
+ 2.0 18 c'_ s'_ 1.6110 510.2775
+ 2.0 18 c'_ s-_ 1.6800 280.3060
+ 2.0 18 c'_ sp_ 1.7400 215.3532
+ 2.0 18 c'_ h_ 1.1050 340.6175
+ 2.0 18 c'_ p_ 1.7200 241.3820
+ 2.0 18 c'_ f_ 1.3900 217.7092
+ 2.0 18 c'_ cl_ 1.7270 249.8588
+ 2.0 18 c'_ br_ 1.8750 228.2808
+ 2.0 18 c'_ si_ 1.8300 239.3552
+ 2.0 18 c'_ i_ 2.0610 208.6024
+ 2.0 18 cp_ cp_ 1.3900 480.0000
+ 2.0 18 cp_ c=_ 1.5000 322.8000
+ 2.0 18 cp_ c=_1 1.5000 322.8000
+ 2.0 18 cp_ c=_2 1.5000 322.8000
+ 2.0 18 cp_ c=_3 1.5000 322.8000
+ 2.0 18 cp_ ct_ 1.4000 321.6716
+ 2.0 18 cp_ na_ 1.4120 257.7752
+ 2.0 18 cp_ n_ 1.4200 280.0000
+ 2.0 18 cp_ n=_ 1.3850 316.0380
+ 2.0 18 cp_ n=_1 1.3850 316.0380
+ 2.0 18 cp_ n=_2 1.3850 316.0380
+ 2.0 18 cp_ n=_3 1.3850 316.0380
+ 2.0 18 cp_ np_ 1.3500 440.0000
+ 2.0 18 cp_ n+_ 1.4120 251.3344
+ 2.0 18 cp_ o_ 1.3700 384.0000
+ 2.0 18 cp_ o'_ 1.3300 297.4852
+ 2.0 18 cp_ op_ 1.3700 420.0000
+ 2.0 18 cp_ s_ 1.7300 228.0000
+ 2.0 18 cp_ s'_ 1.7200 239.8024
+ 2.0 18 cp_ sp_ 1.7106 320.0000
+ 2.0 18 cp_ h_ 1.0800 363.4164
+ 2.0 18 cp_ p_ 1.7000 235.0428
+ 2.0 18 cp_ f_ 1.3630 496.0000
+ 2.0 18 cp_ cl_ 1.7610 314.0000
+ 2.0 18 cp_ br_ 1.9200 223.6000
+ 2.0 18 cp_ i_ 2.0410 217.4512
+ 2.0 18 cp_ si_ 1.8100 225.1676
+ 2.0 18 ci_ ci_ 1.3900 280.0000
+ 2.0 18 ci_ ni_ 1.3800 320.0000
+ 2.0 18 ci_ h_ 1.0800 363.4164
+ 2.0 18 c=_ c=_ 1.3300 655.2000
+ 2.0 18 c=_3 c=_3 1.3300 655.2000
+ 2.0 18 c=_1 c=_3 1.3300 655.2000
+ 2.0 18 c=_2 c=_2 1.4100 480.0000
+ 2.0 18 c=_1 c=_2 1.4800 320.0000
+ 2.0 18 c=_1 c=_1 1.4800 320.0000
+ 2.0 18 c=_2 c=_3 1.4800 320.0000
+ 2.0 18 c=_ ct_ 1.4250 337.6424
+ 2.0 18 c=_ na_ 1.4370 273.7168
+ 2.0 18 c=_ n_ 1.4100 279.0740
+ 2.0 18 c=_1 ct_ 1.4250 337.6424
+ 2.0 18 c=_1 na_ 1.4370 273.7168
+ 2.0 18 c=_1 n_ 1.4100 279.0740
+ 2.0 18 c=_2 ct_ 1.4250 337.6424
+ 2.0 18 c=_2 na_ 1.4370 273.7168
+ 2.0 18 c=_2 n_ 1.4100 279.0740
+ 2.0 18 c=_3 ct_ 1.4250 337.6424
+ 2.0 18 c=_3 na_ 1.4370 273.7168
+ 2.0 18 c=_3 n_ 1.4100 279.0740
+ 2.0 18 c=_ n=_ 1.2600 560.0000
+ 2.0 18 c=_3 n=_3 1.2600 560.0000
+ 2.0 18 c=_1 n=_3 1.2600 560.0000
+ 2.0 18 c=_3 n=_1 1.2600 560.0000
+ 2.0 18 c=_2 n=_2 1.3430 493.5268
+ 2.0 18 c=_1 n=_2 1.4100 331.8740
+ 2.0 18 c=_2 n=_1 1.4100 331.8740
+ 2.0 18 c=_1 n=_1 1.4100 331.8740
+ 2.0 18 c=_3 n=_2 1.4100 331.8740
+ 2.0 18 c=_2 n=_3 1.4100 331.8740
+ 2.0 18 c=_ np_ 1.4100 331.8740
+ 2.0 18 c=_ o_ 1.3680 355.1988
+ 2.0 18 c=_ op_ 1.3550 340.5116
+ 2.0 18 c=_ o'_ 1.3550 312.9116
+ 2.0 18 c=_ h_ 1.0900 361.6000
+ 2.0 18 c=_ p_ 1.7250 250.9988
+ 2.0 18 c=_ s_ 1.7750 254.9440
+ 2.0 18 c=_ sp_ 1.7450 240.9880
+ 2.0 18 c=_ s'_ 1.7450 255.7880
+ 2.0 18 c=_ f_ 1.3950 285.1320
+ 2.0 18 c=_ cl_ 1.7320 278.5132
+ 2.0 18 c=_ br_ 1.8800 253.7008
+ 2.0 18 c=_ i_ 2.0660 233.4432
+ 2.0 18 c=_ si_ 1.8350 241.0424
+ 2.0 18 c=_1 np_ 1.4100 331.8740
+ 2.0 18 c=_1 o_ 1.3680 355.1988
+ 2.0 18 c=_1 op_ 1.3550 340.5116
+ 2.0 18 c=_1 o'_ 1.3550 312.9116
+ 2.0 18 c=_1 h_ 1.0900 361.6000
+ 2.0 18 c=_1 p_ 1.7250 250.9988
+ 2.0 18 c=_1 s_ 1.7750 254.9440
+ 2.0 18 c=_1 sp_ 1.7450 240.9880
+ 2.0 18 c=_1 s'_ 1.7450 255.7880
+ 2.0 18 c=_1 f_ 1.3950 285.1320
+ 2.0 18 c=_1 cl_ 1.7320 278.5132
+ 2.0 18 c=_1 br_ 1.8800 253.7008
+ 2.0 18 c=_1 i_ 2.0660 233.4432
+ 2.0 18 c=_1 si_ 1.8350 241.0424
+ 2.0 18 c=_2 np_ 1.4100 331.8740
+ 2.0 18 c=_2 o_ 1.3680 355.1988
+ 2.0 18 c=_2 op_ 1.3550 340.5116
+ 2.0 18 c=_2 o'_ 1.3550 312.9116
+ 2.0 18 c=_2 h_ 1.0900 361.6000
+ 2.0 18 c=_2 p_ 1.7250 250.9988
+ 2.0 18 c=_2 s_ 1.7750 254.9440
+ 2.0 18 c=_2 sp_ 1.7450 240.9880
+ 2.0 18 c=_2 s'_ 1.7450 255.7880
+ 2.0 18 c=_2 f_ 1.3950 285.1320
+ 2.0 18 c=_2 cl_ 1.7320 278.5132
+ 2.0 18 c=_2 br_ 1.8800 253.7008
+ 2.0 18 c=_2 i_ 2.0660 233.4432
+ 2.0 18 c=_2 si_ 1.8350 241.0424
+ 2.0 18 c=_3 np_ 1.4100 331.8740
+ 2.0 18 c=_3 o_ 1.3680 355.1988
+ 2.0 18 c=_3 op_ 1.3550 340.5116
+ 2.0 18 c=_3 o'_ 1.3550 312.9116
+ 2.0 18 c=_3 h_ 1.0900 361.6000
+ 2.0 18 c=_3 p_ 1.7250 250.9988
+ 2.0 18 c=_3 s_ 1.7750 254.9440
+ 2.0 18 c=_3 sp_ 1.7450 240.9880
+ 2.0 18 c=_3 s'_ 1.7450 255.7880
+ 2.0 18 c=_3 f_ 1.3950 285.1320
+ 2.0 18 c=_3 cl_ 1.7320 278.5132
+ 2.0 18 c=_3 br_ 1.8800 253.7008
+ 2.0 18 c=_3 i_ 2.0660 233.4432
+ 2.0 18 c=_3 si_ 1.8350 241.0424
+ 2.0 18 cr_ n=_ 1.2600 560.0000
+ 2.0 18 cr_ n=_1 1.2600 560.0000
+ 2.0 18 cr_ n=_2 1.2600 560.0000
+ 2.0 18 cr_ n=_3 1.2600 560.0000
+ 2.0 18 cr_ n_ 1.3200 388.0000
+ 2.0 18 ct_ ct_ 1.2040 800.0000
+ 2.0 18 ct_ nt_ 1.1580 880.0000
+ 2.0 18 ct_ na_ 1.3820 286.8096
+ 2.0 18 ct_ n_ 1.3550 289.4448
+ 2.0 18 ct_ n=_ 1.3550 342.2448
+ 2.0 18 ct_ n=_1 1.3550 342.2448
+ 2.0 18 ct_ n=_2 1.3550 342.2448
+ 2.0 18 ct_ n=_3 1.3550 342.2448
+ 2.0 18 ct_ n+_ 1.3820 278.3768
+ 2.0 18 ct_ o_ 1.3130 367.8164
+ 2.0 18 ct_ s_ 1.7200 271.4328
+ 2.0 18 ct_ op_ 1.3000 346.4680
+ 2.0 18 ct_ o'_ 1.3000 318.8680
+ 2.0 18 ct_ sp_ 1.6900 256.0344
+ 2.0 18 ct_ s'_ 1.6900 270.8344
+ 2.0 18 ct_ p_ 1.6700 273.4668
+ 2.0 18 ct_ h_ 1.0530 316.9016
+ 2.0 18 ct_ f_ 1.3400 278.3932
+ 2.0 18 ct_ cl_ 1.6770 292.1952
+ 2.0 18 ct_ br_ 1.8250 268.8528
+ 2.0 18 ct_ i_ 2.0110 248.9268
+ 2.0 18 ct_ si_ 1.7800 267.2964
+ 2.0 18 na_ na_ 1.3940 220.8000
+ 2.0 18 na_ n_ 1.3670 221.6968
+ 2.0 18 na_ np_ 1.3670 274.4968
+ 2.0 18 na_ n=_ 1.3670 274.4968
+ 2.0 18 na_ n=_1 1.3670 274.4968
+ 2.0 18 na_ n=_2 1.3670 274.4968
+ 2.0 18 na_ n=_3 1.3670 274.4968
+ 2.0 18 na_ n+_ 1.3940 211.1592
+ 2.0 18 na_ o_ 1.3250 301.3500
+ 2.0 18 na_ s_ 1.7320 206.9404
+ 2.0 18 na_ op_ 1.3120 274.1760
+ 2.0 18 na_ o'_ 1.3120 246.5760
+ 2.0 18 na_ sp_ 1.7020 190.9752
+ 2.0 18 na_ s'_ 1.7020 205.7752
+ 2.0 18 na_ p_ 1.6820 210.5400
+ 2.0 18 na_ h_ 1.0260 457.4592
+ 2.0 18 na_ f_ 1.3520 200.9852
+ 2.0 18 na_ cl_ 1.6890 226.4260
+ 2.0 18 na_ br_ 1.8370 203.8340
+ 2.0 18 na_ i_ 2.0230 184.0104
+ 2.0 18 na_ si_ 1.7920 204.4236
+ 2.0 18 n_ n_ 1.3400 220.0000
+ 2.0 18 n_ np_ 1.3400 272.8000
+ 2.0 18 n_ n=_ 1.3400 272.8000
+ 2.0 18 n_ n=_1 1.3400 272.8000
+ 2.0 18 n_ n=_2 1.3400 272.8000
+ 2.0 18 n_ n=_3 1.3400 272.8000
+ 2.0 18 n_ n+_ 1.3670 210.6360
+ 2.0 18 n_ o_ 1.2980 301.2632
+ 2.0 18 n_ s_ 1.7050 210.6208
+ 2.0 18 n_ op_ 1.2850 267.1080
+ 2.0 18 n_ o'_ 1.2850 239.5080
+ 2.0 18 n_ sp_ 1.6750 193.4844
+ 2.0 18 n_ s'_ 1.6750 208.2844
+ 2.0 18 n_ p_ 1.6550 219.9524
+ 2.0 18 n_ h_ 1.0260 483.4512
+ 2.0 18 n_ f_ 1.3250 189.3856
+ 2.0 18 n_ cl_ 1.6620 227.5604
+ 2.0 18 n_ br_ 1.8100 206.3980
+ 2.0 18 n_ i_ 1.9960 186.6972
+ 2.0 18 n_ si_ 1.7650 216.8064
+ 2.0 18 np_ np_ 1.3400 408.0000
+ 2.0 18 np_ n=_ 1.3400 325.6000
+ 2.0 18 np_ n=_1 1.3400 325.6000
+ 2.0 18 np_ n=_2 1.3400 325.6000
+ 2.0 18 np_ n=_3 1.3400 325.6000
+ 2.0 18 np_ n+_ 1.3670 263.4360
+ 2.0 18 np_ o_ 1.2980 354.0632
+ 2.0 18 np_ o'_ 1.2850 292.3080
+ 2.0 18 np_ op_ 1.2850 319.9080
+ 2.0 18 np_ s_ 1.7050 263.4208
+ 2.0 18 np_ s'_ 1.6750 261.0844
+ 2.0 18 np_ sp_ 1.6750 246.2844
+ 2.0 18 np_ p_ 1.6550 272.7524
+ 2.0 18 np_ h_ 1.0260 483.4512
+ 2.0 18 np_ f_ 1.3250 242.1856
+ 2.0 18 np_ cl_ 1.6620 280.3604
+ 2.0 18 np_ br_ 1.8100 259.1980
+ 2.0 18 np_ i_ 1.9960 239.4972
+ 2.0 18 np_ si_ 1.7650 269.6064
+ 2.0 18 n=_ n=_ 1.2100 651.2000
+ 2.0 18 n=_3 n=_3 1.2100 651.2000
+ 2.0 18 n=_1 n=_3 1.2100 651.2000
+ 2.0 18 n=_2 n=_2 1.2760 488.0000
+ 2.0 18 n=_1 n=_2 1.3400 325.6000
+ 2.0 18 n=_1 n=_1 1.3400 325.6000
+ 2.0 18 n=_2 n=_3 1.3400 325.6000
+ 2.0 18 n=_ n+_ 1.3670 263.4360
+ 2.0 18 n=_ o_ 1.2980 354.0632
+ 2.0 18 n=_1 n+_ 1.3670 263.4360
+ 2.0 18 n=_1 o_ 1.2980 354.0632
+ 2.0 18 n=_2 n+_ 1.3670 263.4360
+ 2.0 18 n=_2 o_ 1.2980 354.0632
+ 2.0 18 n=_3 n+_ 1.3670 263.4360
+ 2.0 18 n=_3 o_ 1.2980 354.0632
+ 2.0 18 n=_ o'_ 1.1600 575.8720
+ 2.0 18 n=_1 o'_ 1.2850 292.3080
+ 2.0 18 n=_2 o'_ 1.2225 434.0900
+ 2.0 18 n=_3 o'_ 1.1600 575.8720
+ 2.0 18 n=_ op_ 1.2850 319.9080
+ 2.0 18 n=_1 op_ 1.2850 319.9080
+ 2.0 18 n=_2 op_ 1.2850 319.9080
+ 2.0 18 n=_3 op_ 1.2850 319.9080
+ 2.0 18 np_ o-_ 1.2850 319.9080
+ 2.0 18 n=_ o-_ 1.2850 319.9080
+ 2.0 18 n=_1 o-_ 1.2850 319.9080
+ 2.0 18 n=_2 o-_ 1.2850 319.9080
+ 2.0 18 n=_3 o-_ 1.2850 319.9080
+ 2.0 18 n=_ s_ 1.7050 263.4208
+ 2.0 18 n=_1 s_ 1.7050 263.4208
+ 2.0 18 n=_2 s_ 1.7050 263.4208
+ 2.0 18 n=_3 s_ 1.7050 263.4208
+ 2.0 18 n=_ sp_ 1.6750 246.2844
+ 2.0 18 n=_1 sp_ 1.6750 246.2844
+ 2.0 18 n=_2 sp_ 1.6750 246.2844
+ 2.0 18 n=_3 sp_ 1.6750 246.2844
+ 2.0 18 n=_ s'_ 1.5900 489.2400
+ 2.0 18 n=_1 s'_ 1.6750 261.0844
+ 2.0 18 n=_2 s'_ 1.6325 375.1624
+ 2.0 18 n=_3 s'_ 1.5900 489.2400
+ 2.0 18 n=_ p_ 1.6550 272.7524
+ 2.0 18 n=_ h_ 1.0380 551.2061
+ 2.0 18 n=_ f_ 1.3250 242.1856
+ 2.0 18 n=_ cl_ 1.6620 280.3604
+ 2.0 18 n=_ br_ 1.8100 259.1980
+ 2.0 18 n=_ i_ 1.9960 239.4972
+ 2.0 18 n=_ si_ 1.7650 269.6064
+ 2.0 18 n=_1 p_ 1.6550 272.7524
+ 2.0 18 n=_1 h_ 1.0380 551.2061
+ 2.0 18 n=_1 f_ 1.3250 242.1856
+ 2.0 18 n=_1 cl_ 1.6620 280.3604
+ 2.0 18 n=_1 br_ 1.8100 259.1980
+ 2.0 18 n=_1 i_ 1.9960 239.4972
+ 2.0 18 n=_1 si_ 1.7650 269.6064
+ 2.0 18 n=_2 p_ 1.6550 272.7524
+ 2.0 18 n=_2 h_ 1.0380 551.2061
+ 2.0 18 n=_2 f_ 1.3250 242.1856
+ 2.0 18 n=_2 cl_ 1.6620 280.3604
+ 2.0 18 n=_2 br_ 1.8100 259.1980
+ 2.0 18 n=_2 i_ 1.9960 239.4972
+ 2.0 18 n=_2 si_ 1.7650 269.6064
+ 2.0 18 n=_3 p_ 1.6550 272.7524
+ 2.0 18 n=_3 h_ 1.0380 551.2061
+ 2.0 18 n=_3 f_ 1.3250 242.1856
+ 2.0 18 n=_3 cl_ 1.6620 280.3604
+ 2.0 18 n=_3 br_ 1.8100 259.1980
+ 2.0 18 n=_3 i_ 1.9960 239.4972
+ 2.0 18 n=_3 si_ 1.7650 269.6064
+ 2.0 18 n+_ n+_ 1.3940 193.5604
+ 2.0 18 n+_ o_ 1.3250 291.0020
+ 2.0 18 n+_ s_ 1.7320 200.1168
+ 2.0 18 n+_ op_ 1.3120 261.7060
+ 2.0 18 n+_ o'_ 1.3120 234.1060
+ 2.0 18 n+_ sp_ 1.7020 183.2952
+ 2.0 18 n+_ s'_ 1.7020 198.0952
+ 2.0 18 n+_ p_ 1.6820 209.1536
+ 2.0 18 n+_ h_ 1.0650 461.1848
+ 2.0 18 n+_ f_ 1.3520 178.0372
+ 2.0 18 n+_ cl_ 1.6890 217.7248
+ 2.0 18 n+_ br_ 1.8370 196.5940
+ 2.0 18 n+_ i_ 2.0230 177.2764
+ 2.0 18 n+_ si_ 1.7920 206.9412
+ 2.0 18 nz_ nz_ 1.0976 1632.4955
+ 2.0 18 nt_ nt_ 1.0976 1632.4955
+ 2.0 18 o_ o_ 1.2080 833.6868
+ 2.0 18 o_ s_ 1.6930 288.0848
+ 2.0 18 o_ op_ 1.2430 350.7720
+ 2.0 18 o_ o'_ 1.2430 323.1720
+ 2.0 18 o_ sp_ 1.6330 271.9584
+ 2.0 18 o_ s'_ 1.6330 286.7584
+ 2.0 18 o_ p_ 1.6100 245.2000
+ 2.0 18 o_ si_ 1.6650 392.8000
+ 2.0 18 o_ h_ 0.9600 493.8480
+ 2.0 18 o_ f_ 1.4180 224.0000
+ 2.0 18 o_ cl_ 1.6500 307.0632
+ 2.0 18 o_ br_ 1.7980 284.7988
+ 2.0 18 o_ i_ 1.9840 264.9868
+ 2.0 18 o'_ o'_ 1.1100 484.8000
+ 2.0 18 o'_ op_ 1.2300 272.4000
+ 2.0 18 o'_ s_ 1.5900 360.4188
+ 2.0 18 o'_ sp_ 1.5600 341.2736
+ 2.0 18 o'_ s'_ 1.5400 421.5188
+ 2.0 18 o'_ p_ 1.4800 524.0000
+ 2.0 18 o'_ h_ 0.9830 458.4610
+ 2.0 18 o'_ f_ 1.2700 204.0505
+ 2.0 18 o'_ cl_ 1.6070 251.7939
+ 2.0 18 o'_ br_ 1.7550 233.2954
+ 2.0 18 o'_ i_ 1.9410 213.2317
+ 2.0 18 o'_ si_ 1.6500 454.7464
+ 2.0 18 op_ op_ 1.2300 300.0000
+ 2.0 18 op_ s_ 1.6800 266.7748
+ 2.0 18 op_ sp_ 1.6500 247.8440
+ 2.0 18 op_ s'_ 1.6200 262.9744
+ 2.0 18 op_ p_ 1.6300 286.0904
+ 2.0 18 op_ h_ 0.9830 486.0610
+ 2.0 18 op_ f_ 1.2700 231.6505
+ 2.0 18 op_ cl_ 1.6070 279.3939
+ 2.0 18 op_ br_ 1.7550 260.8954
+ 2.0 18 op_ i_ 1.9410 240.8317
+ 2.0 18 op_ si 1.5870 292.2400
+ 2.0 18 o-_ p_ 1.4800 428.0000
+ 2.0 18 s_ s_ 2.0547 180.0000
+ 2.0 18 s_ sp_ 2.0400 175.1260
+ 2.0 18 s_ s'_ 2.0400 189.9260
+ 2.0 18 s_ p_ 2.0200 186.8792
+ 2.0 18 s_ h_ 1.3300 274.1288
+ 2.0 18 s_ f_ 1.6900 204.8184
+ 2.0 18 s_ cl_ 2.0270 212.0812
+ 2.0 18 s_ br_ 2.1750 187.8836
+ 2.0 18 s_ i_ 2.3610 167.7624
+ 2.0 18 s_ si_ 2.1300 177.2928
+ 2.0 18 s'_ s'_ 1.9700 320.0000
+ 2.0 18 s'_ p_ 1.9700 255.2524
+ 2.0 18 s'_ h_ 1.3730 316.8138
+ 2.0 18 s'_ f_ 1.6600 195.3021
+ 2.0 18 s'_ cl_ 1.9970 211.1368
+ 2.0 18 s'_ br_ 2.1450 187.6017
+ 2.0 18 s'_ i_ 2.3310 167.6272
+ 2.0 18 s'_ si_ 2.0800 247.5744
+ 2.0 18 s-_ p_ 1.9800 210.9800
+ 2.0 18 sp_ sp_ 2.0100 160.0000
+ 2.0 18 sp_ s'_ 1.9900 240.0000
+ 2.0 18 sp_ p_ 1.9900 175.1796
+ 2.0 18 sp_ h_ 1.3730 236.5449
+ 2.0 18 sp_ f_ 1.6600 180.5021
+ 2.0 18 sp_ cl_ 1.9970 196.3368
+ 2.0 18 sp_ br_ 2.1450 172.8017
+ 2.0 18 sp_ i_ 2.3310 152.8272
+ 2.0 18 sp_ si_ 2.1000 167.4260
+ 2.0 18 p_ p_ 1.9700 176.0000
+ 2.0 18 p_ h_ 1.4300 224.0000
+ 2.0 18 p_ f_ 1.5400 230.3664
+ 2.0 18 p_ cl_ 2.0430 208.8228
+ 2.0 18 p_ br_ 2.1800 183.1472
+ 2.0 18 p_ i_ 2.3110 162.7080
+ 2.0 18 p_ si_ 1.9170 168.2072
+ 2.0 18 h_ h_ 0.7461 398.7301
+ 2.0 18 h_ f_ 1.0230 520.7304
+ 2.0 18 h_ cl_ 1.3600 345.9024
+ 2.0 18 h_ br_ 1.5080 314.1728
+ 2.0 18 h_ i_ 1.6940 292.0432
+ 2.0 18 h_ si_ 1.4630 288.3168
+ 2.0 18 d_ d_ 0.7416 398.2392
+ 2.0 18 f_ f_ 1.4170 259.0683
+ 2.0 18 f_ cl_ 1.6470 207.1180
+ 2.0 18 f_ br_ 1.7950 193.5000
+ 2.0 18 f_ i_ 1.9810 174.1664
+ 2.0 18 f_ si_ 1.5870 297.3400
+ 2.0 18 cl_ cl_ 1.9880 236.5339
+ 2.0 18 cl_ br_ 2.1320 209.1876
+ 2.0 18 cl_ i_ 2.3180 189.3396
+ 2.0 18 cl_ si_ 2.0870 207.9748
+ 2.0 18 br_ br_ 2.2900 175.6329
+ 2.0 18 br_ i_ 2.4660 165.6156
+ 2.0 18 br_ si_ 2.2350 180.2320
+ 2.0 18 i_ i_ 2.6620 123.2110
+ 2.0 18 i_ si_ 2.4210 158.9664
+ 2.0 18 si_ si_ 2.4200 144.0000
+
+
+#quadratic_angle cvff_auto
+
+> E = K2 * (Theta - Theta0)^2
+
+!Ver Ref I J K Theta0 K2
+!---- --- ---- ---- ---- -------- -------
+ 2.0 18 c3m_ c3m_ c3m_ 60.0000 46.0000
+ 2.0 18 c3m_ c3m_ *7 109.5000 46.0000
+ 2.0 18 c4m_ c3m_ *7 109.5000 46.0000
+ 2.0 18 c_ c3m_ *7 109.5000 46.0000
+ 2.0 18 n_ c3m_ *6 109.5000 50.0000
+ 2.0 18 n3m_ c3m_ *6 109.5000 50.0000
+ 2.0 18 n4m_ c3m_ *6 109.5000 50.0000
+ 2.0 18 n3m_ c3m_ c3m_ 60.0000 50.0000
+ 2.0 18 n3m_ c3m_ n3m_ 60.0000 50.0000
+ 2.0 18 n_ c3m_ c_ 112.0000 50.0000
+ 2.0 18 n_ c3m_ c3m_ 112.0000 50.0000
+ 2.0 18 n_ c3m_ c4m_ 112.0000 50.0000
+ 2.0 18 o_ c3m_ *5 109.5000 70.0000
+ 2.0 18 o'_ c3m_ *5 109.5000 70.0000
+ 2.0 18 o3e_ c3m_ *5 109.5000 70.0000
+ 2.0 18 o3e_ c3m_ c3m_ 60.0000 70.0000
+ 2.0 18 o4e_ c3m_ *5 109.5000 70.0000
+ 2.0 18 s_ c3m_ *4 109.5000 62.0000
+ 2.0 18 s'_ c3m_ *4 109.5000 62.0000
+ 2.0 18 s3e_ c3m_ *4 109.5000 62.0000
+ 2.0 18 s3e_ c3m_ c3m_ 60.0000 62.0000
+ 2.0 18 s3e_ c3m_ s3e_ 60.0000 62.0000
+ 2.0 18 s4e_ c3m_ *4 109.5000 62.0000
+ 2.0 18 h_ c3m_ *2 109.5000 44.0000
+ 2.0 18 f_ c3m_ *3 107.8000 95.0000
+ 2.0 18 f_ c3m_ h_ 107.1000 62.0000
+ 2.0 18 si_ c3m_ *1 112.3000 34.6000
+ 2.0 18 * c3m_ * 109.5000 60.0000
+ 2.0 18 c4m_ c4m_ c4m_ 95.0000 46.0000
+ 2.0 18 c4m_ c4m_ n4m_ 88.3400 50.0000
+ 2.0 18 c4m_ c4m_ o4e_ 91.8400 70.0000
+ 2.0 18 c4m_ c4m_ s4e_ 94.5900 62.0000
+ 2.0 18 c3m_ c4m_ *7 109.5000 46.0000
+ 2.0 18 c4m_ c4m_ *7 109.5000 46.0000
+ 2.0 18 c4m_ c4m_ o_ 121.0000 46.0000
+ 2.0 18 c_ c4m_ *7 109.5000 46.0000
+ 2.0 18 n_ c4m_ *6 109.5000 50.0000
+ 2.0 18 n3m_ c4m_ *6 109.5000 50.0000
+ 2.0 18 n4m_ c4m_ *6 109.5000 50.0000
+ 2.0 18 n4m_ c4m_ n4m_ 88.4000 50.0000
+ 2.0 18 n4m_ c4m_ o4m_ 90.0000 70.0000
+ 2.0 18 n4m_ c4m_ s4m_ 89.0000 62.0000
+ 2.0 18 n_ c4m_ c_ 112.0000 50.0000
+ 2.0 18 n_ c4m_ c3m_ 112.0000 50.0000
+ 2.0 18 n_ c4m_ c4m_ 112.0000 50.0000
+ 2.0 18 o_ c4m_ *5 109.5000 70.0000
+ 2.0 18 o'_ c4m_ *5 109.5000 70.0000
+ 2.0 18 o3e_ c4m_ *5 109.5000 70.0000
+ 2.0 18 o4e_ c4m_ *5 109.5000 70.0000
+ 2.0 18 o4e_ c4m_ o4e_ 90.0000 70.0000
+ 2.0 18 o4e_ c4m_ s4e_ 89.0000 70.0000
+ 2.0 18 s_ c4m_ *4 109.5000 62.0000
+ 2.0 18 s'_ c4m_ *4 109.5000 62.0000
+ 2.0 18 s3e_ c4m_ *4 109.5000 62.0000
+ 2.0 18 s4e_ c4m_ s4e_ 91.0000 62.0000
+ 2.0 18 s4e_ c4m_ *4 109.5000 62.0000
+ 2.0 18 h_ c4m_ *2 109.5000 44.0000
+ 2.0 18 f_ c4m_ *3 107.8000 95.0000
+ 2.0 18 f_ c4m_ h_ 107.1000 62.0000
+ 2.0 18 si_ c4m_ *1 112.3000 34.6000
+ 2.0 18 * c4m_ * 109.5000 60.0000
+ 2.0 18 c3m_ c_ *7 109.5000 46.0000
+ 2.0 18 c4m_ c_ *7 109.5000 46.0000
+ 2.0 18 n3m_ c_ *6 109.5000 50.0000
+ 2.0 18 n4m_ c_ *6 109.5000 50.0000
+ 2.0 18 n3m_ c_ c_ 114.0000 50.0000
+ 2.0 18 n4m_ c_ c_ 114.0000 50.0000
+ 2.0 18 n_ c_ c3m_ 114.0000 50.0000
+ 2.0 18 n_ c_ c4m_ 114.0000 50.0000
+ 2.0 18 s3m_ c_ *4 109.5000 62.0000
+ 2.0 18 s4m_ c_ *4 109.5000 62.0000
+ 2.0 18 c3m_ c'_ *9 120.0000 40.0000
+ 2.0 18 c4m_ c'_ *9 120.0000 40.0000
+ 2.0 18 n3m_ c'_ *8 120.0000 53.5000
+ 2.0 18 n4m_ c'_ *8 120.0000 53.5000
+ 2.0 18 s3e_ c'_ *5 120.0000 40.0000
+ 2.0 18 s4e_ c'_ *5 120.0000 40.0000
+ 2.0 18 n3m_ c'_ c_ 114.0000 82.0000
+ 2.0 18 n4m_ c'_ c_ 114.0000 82.0000
+ 2.0 18 o'_ c'_ n3m_ 125.0000 145.0000
+ 2.0 18 o'_ c'_ n4m_ 123.0000 145.0000
+ 2.0 18 c3m_ cp_ *7 120.0000 80.0000
+ 2.0 18 c4m_ cp_ *7 120.0000 80.0000
+ 2.0 18 n3m_ cp_ *6 120.0000 102.0000
+ 2.0 18 n4m_ cp_ *6 120.0000 102.0000
+ 2.0 18 s3e_ cp_ *4 120.0000 89.0000
+ 2.0 18 s4e_ cp_ *4 120.0000 89.0000
+ 2.0 18 c3m_ c=_ *7 120.0000 36.2000
+ 2.0 18 c4m_ c=_ *7 120.0000 36.2000
+ 2.0 18 n3m_ c=_ *6 120.0000 90.0000
+ 2.0 18 n4m_ c=_ *6 120.0000 90.0000
+ 2.0 18 s3e_ c=_ *4 120.0000 40.0000
+ 2.0 18 s4e_ c=_ *4 120.0000 40.0000
+ 2.0 18 c3m_ na_ *9 109.0000 80.0000
+ 2.0 18 c4m_ na_ *9 109.0000 80.0000
+ 2.0 18 n3m_ na_ *8 109.0000 80.0000
+ 2.0 18 n4m_ na_ *8 109.0000 80.0000
+ 2.0 18 s3e_ na_ *5 109.0000 80.0000
+ 2.0 18 s4e_ na_ *5 109.0000 80.0000
+ 2.0 18 c_ n3m_ *9 114.0000 80.0000
+ 2.0 18 c_ n3m_ c3m_ 113.0000 80.0000
+ 2.0 18 c3m_ n3m_ c3m_ 60.0000 80.0000
+ 2.0 18 n_ n3m_ *8 109.0000 80.0000
+ 2.0 18 n3m_ n3m_ *8 109.0000 80.0000
+ 2.0 18 n4m_ n3m_ *8 109.0000 80.0000
+ 2.0 18 o_ n3m_ *7 109.0000 80.0000
+ 2.0 18 o'_ n3m_ *6 114.0000 80.0000
+ 2.0 18 s_ n3m_ *5 109.0000 80.0000
+ 2.0 18 s3e_ n3m_ *5 109.0000 80.0000
+ 2.0 18 s4e_ n3m_ *5 109.0000 80.0000
+ 2.0 18 s'_ n3m_ *4 114.0000 80.0000
+ 2.0 18 h_ n3m_ *3 110.0000 41.6000
+ 2.0 18 h_ n3m_ c3m_ 110.0000 41.6000
+ 2.0 18 f_ n3m_ *2 109.0000 80.0000
+ 2.0 18 si_ n3m_ *1 109.0000 41.6000
+ 2.0 18 * n3m_ * 109.0000 80.0000
+ 2.0 18 c_ n4m_ *9 110.0000 80.0000
+ 2.0 18 c4m_ n4m_ c4m_ 91.3800 80.0000
+ 2.0 18 n_ n4m_ *8 109.0000 80.0000
+ 2.0 18 n3m_ n4m_ *8 109.0000 80.0000
+ 2.0 18 n4m_ n4m_ *8 109.0000 80.0000
+ 2.0 18 o_ n4m_ *7 109.0000 80.0000
+ 2.0 18 o'_ n4m_ *6 114.0000 80.0000
+ 2.0 18 s_ n4m_ *5 109.0000 80.0000
+ 2.0 18 s3e_ n4m_ *5 109.0000 80.0000
+ 2.0 18 s4e_ n4m_ *5 109.0000 80.0000
+ 2.0 18 s'_ n4m_ *4 114.0000 80.0000
+ 2.0 18 h_ n4m_ *3 110.0000 41.6000
+ 2.0 18 h_ n4m_ c4m_ 110.0000 41.6000
+ 2.0 18 f_ n4m_ *2 109.0000 80.0000
+ 2.0 18 si_ n4m_ *1 109.0000 41.6000
+ 2.0 18 * n4m_ * 109.0000 80.0000
+ 2.0 18 c3m_ n_ *9 120.0000 50.0000
+ 2.0 18 c4m_ n_ *9 120.0000 50.0000
+ 2.0 18 s3e_ n_ *5 120.0000 50.0000
+ 2.0 18 s4e_ n_ *5 120.0000 50.0000
+ 2.0 18 c3m_ np_ *7 120.0000 75.0000
+ 2.0 18 c4m_ np_ *7 120.0000 75.0000
+ 2.0 18 s3e_ np_ *4 120.0000 75.0000
+ 2.0 18 s4e_ np_ *4 120.0000 75.0000
+ 2.0 18 c3m_ o_ *7 109.5000 60.0000
+ 2.0 18 c4m_ o_ *7 109.5000 60.0000
+ 2.0 18 c3m_ o3e_ c3m_ 58.9580 60.0000
+ 2.0 18 c4m_ o4e_ c4m_ 91.7370 60.0000
+ 2.0 18 n3m_ o_ *6 120.0000 72.0000
+ 2.0 18 n4m_ o_ *6 120.0010 72.0000
+ 2.0 18 s3e_ o_ *4 109.5000 60.0000
+ 2.0 18 s4e_ o_ *4 109.5000 60.0000
+ 2.0 18 * op_ * 108.0000 75.0000
+ 2.0 18 si_ op_ *1 106.0000 27.5000
+ 2.0 18 c3m_ s_ *7 99.0000 58.0000
+ 2.0 18 c4m_ s_ *7 99.0000 58.0000
+ 2.0 18 n3m_ s_ *6 113.1000 42.3000
+ 2.0 18 n4m_ s_ *6 113.1000 42.3000
+ 2.0 18 s3e_ s_ *4 103.5000 75.0000
+ 2.0 18 s4e_ s_ *4 103.5000 75.0000
+ 2.0 18 c3m_ s3e_ c3m_ 44.5000 58.0000
+ 2.0 18 c3m_ s3e_ *7 99.0000 58.0000
+ 2.0 18 c4m_ s3e_ *7 99.0000 58.0000
+ 2.0 18 c_ s3e_ *7 99.0000 58.0000
+ 2.0 18 n_ s3e_ *6 113.1000 42.3000
+ 2.0 18 n3m_ s3e_ *6 113.1000 42.3000
+ 2.0 18 n4m_ s3e_ *6 113.1000 42.3000
+ 2.0 18 o_ s3e_ *5 113.1000 42.3000
+ 2.0 18 o'_ s3e_ *5 113.1000 42.3000
+ 2.0 18 s3e_ s3e_ *4 103.5000 75.0000
+ 2.0 18 s4e_ s3e_ *4 103.5000 75.0000
+ 2.0 18 s'_ s3e_ *4 109.5000 75.0000
+ 2.0 18 s_ s3e_ *4 109.5000 75.0000
+ 2.0 18 h_ s3e_ *2 112.0000 31.8000
+ 2.0 18 f_ s3e_ *3 109.5000 75.0000
+ 2.0 18 si_ s3e_ *1 109.5000 48.0000
+ 2.0 18 * s3e_ * 109.5000 75.0000
+ 2.0 18 c4m_ s4e_ c4m_ 85.9200 58.0000
+ 2.0 18 c3m_ s4e_ *7 99.0000 58.0000
+ 2.0 18 c4m_ s4e_ *7 99.0000 58.0000
+ 2.0 18 c_ s4e_ *7 99.0000 58.0000
+ 2.0 18 n_ s4e_ *6 113.1000 42.3000
+ 2.0 18 n3m_ s4e_ *6 113.1000 42.3000
+ 2.0 18 n4m_ s4e_ *6 113.1000 42.3000
+ 2.0 18 o_ s4e_ *5 113.1000 42.3000
+ 2.0 18 o'_ s4e_ *5 113.1000 42.3000
+ 2.0 18 s3e_ s4e_ *4 103.5000 75.0000
+ 2.0 18 s4e_ s4e_ *4 103.5000 75.0000
+ 2.0 18 s'_ s4e_ *4 109.5000 75.0000
+ 2.0 18 s_ s4e_ *4 109.5000 75.0000
+ 2.0 18 h_ s4e_ *2 112.0000 31.8000
+ 2.0 18 f_ s4e_ *3 109.5000 75.0000
+ 2.0 18 si_ s4e_ *1 109.5000 48.0000
+ 2.0 18 * s4e_ * 109.5000 75.0000
+ 2.0 18 c3m_ sp_ *7 92.5670 126.5060
+ 2.0 18 c4m_ sp_ *7 92.5670 126.5060
+ 2.0 18 c3m_ p_ *9 109.5000 45.0000
+ 2.0 18 c4m_ p_ *9 109.5000 45.0000
+ 2.0 18 c3m_ si_ *7 113.5000 44.4000
+ 2.0 18 c4m_ si_ *7 113.5000 44.4000
+ 2.0 18 c_ c_ *7 109.5000 46.0000
+ 2.0 18 n_ c_ *6 109.5000 50.0000
+ 2.0 18 n_ c_ c_ 114.0000 50.0000
+ 2.0 18 o_ c_ *5 109.5000 70.0000
+ 2.0 18 s_ c_ *4 109.5000 62.0000
+ 2.0 18 s'_ c_ *4 109.5000 62.0000
+ 2.0 18 c_ c_ o_ 110.5000 46.0000
+ 2.0 18 c_ c_ s_ 115.0000 46.0000
+ 2.0 18 h_ c_ *2 109.5000 44.0000
+ 2.0 18 f_ c_ *3 107.8000 95.0000
+ 2.0 18 f_ c_ h_ 107.1000 62.0000
+ 2.0 18 si_ c_ *1 112.3000 34.6000
+ 2.0 18 * c_ * 109.5000 60.0000
+ 2.0 18 c_ c'_ c_ 115.0000 40.0000
+ 2.0 18 c_ c'_ *9 120.0000 40.0000
+ 2.0 18 n_ c'_ *8 120.0000 53.5000
+ 2.0 18 o_ c'_ *7 110.0000 122.0000
+ 2.0 18 o'_ c'_ *6 120.0000 68.0000
+ 2.0 18 s_ c'_ *5 120.0000 40.0000
+ 2.0 18 s'_ c'_ *4 123.0000 80.0000
+ 2.0 18 h_ c'_ *2 110.0000 55.0000
+ 2.0 18 n_ c'_ n_ 120.0000 102.0000
+ 2.0 18 n_ c'_ c_ 114.0000 82.0000
+ 2.0 18 o'_ c'_ o_ 123.0000 145.0000
+ 2.0 18 o'_ c'_ h_ 120.0000 55.0000
+ 2.0 18 o'_ c'_ n_ 123.0000 145.0000
+ 2.0 18 h_ c'_ h_ 117.0200 26.3900
+ 2.0 18 f_ c'_ *3 120.0000 99.0000
+ 2.0 18 si_ c'_ *1 120.0000 34.6000
+ 2.0 18 * c'_ * 120.0000 65.0000
+ 2.0 18 c_ cp_ *7 120.0000 80.0000
+ 2.0 18 n_ cp_ *6 120.0000 102.0000
+ 2.0 18 o_ cp_ *5 120.0000 60.0000
+ 2.0 18 o'_ cp_ *5 120.0000 60.0000
+ 2.0 18 s_ cp_ *4 120.0000 89.0000
+ 2.0 18 s_ cp_ c_ 114.0000 89.0000
+ 2.0 18 s'_ cp_ *4 120.0000 60.0000
+ 2.0 18 h_ cp_ *2 120.0000 37.0000
+ 2.0 18 f_ cp_ *3 120.0000 99.0000
+ 2.0 18 si_ cp_ *1 120.0000 34.6000
+ 2.0 18 * cp_ * 120.0000 65.0000
+ 2.0 18 c_ c=_ *7 120.0000 36.2000
+ 2.0 18 n_ c=_ *6 120.0000 90.0000
+ 2.0 18 o_ c=_ *5 120.0000 68.0000
+ 2.0 18 o'_ c=_ *5 120.0000 68.0000
+ 2.0 18 s'_ c=_ *4 120.0000 40.0000
+ 2.0 18 s_ c=_ *4 120.0000 40.0000
+ 2.0 18 h_ c=_ *2 120.0000 37.5000
+ 2.0 18 f_ c=_ *3 120.0000 96.0000
+ 2.0 18 si_ c=_ *1 120.0000 34.6000
+ 2.0 18 * c=_ * 120.0000 60.0000
+ 2.0 18 * ct_ * 180.0000 200.0000
+ 2.0 18 c_ na_ *9 109.0000 80.0000
+ 2.0 18 n_ na_ *8 109.0000 80.0000
+ 2.0 18 o_ na_ *7 109.0000 80.0000
+ 2.0 18 o'_ na_ *6 114.0000 80.0000
+ 2.0 18 s_ na_ *5 109.0000 80.0000
+ 2.0 18 s'_ na_ *4 114.0000 80.0000
+ 2.0 18 f_ na_ *2 109.0000 80.0000
+ 2.0 18 h_ na_ *3 110.0000 41.6000
+ 2.0 18 si_ na_ *1 109.0000 41.6000
+ 2.0 18 * na_ * 109.0000 80.0000
+ 2.0 18 c_ n_ *9 120.0000 50.0000
+ 2.0 18 n_ n_ *8 120.0000 50.0000
+ 2.0 18 o_ n_ *7 120.0000 50.0000
+ 2.0 18 o'_ n_ *6 120.0000 80.0000
+ 2.0 18 s_ n_ *5 120.0000 50.0000
+ 2.0 18 s'_ n_ *4 120.0000 70.0000
+ 2.0 18 f_ n_ *2 120.0000 50.0000
+ 2.0 18 h_ n_ *3 122.0000 35.0000
+ 2.0 18 si_ n_ *1 120.0000 35.0000
+ 2.0 18 * n_ * 120.0000 50.0000
+ 2.0 18 c_ np_ *7 120.0000 75.0000
+ 2.0 18 n_ np_ *6 120.0000 75.0000
+ 2.0 18 o_ np_ *5 120.0000 75.0000
+ 2.0 18 o'_ np_ *5 120.0000 75.0000
+ 2.0 18 s_ np_ *4 120.0000 75.0000
+ 2.0 18 s'_ np_ *4 120.0000 75.0000
+ 2.0 18 f_ np_ *2 120.0000 75.0000
+ 2.0 18 h_ np_ *3 120.0000 27.5000
+ 2.0 18 si_ np_ *1 120.0000 27.5000
+ 2.0 18 * np_ * 120.0000 75.0000
+ 2.0 18 * nt_ * 180.0 50.0
+ 2.0 18 c_ o_ *7 109.5000 60.0000
+ 2.0 18 n_ o_ *6 120.0000 72.0000
+ 2.0 18 o_ o_ *5 109.5000 60.0000
+ 2.0 18 o'_ o_ *5 109.5000 60.0000
+ 2.0 18 s_ o_ *4 109.5000 60.0000
+ 2.0 18 s'_ o_ *4 109.5000 60.0000
+ 2.0 18 h_ o_ *2 109.0000 58.5000
+ 2.0 18 h_ o*_ h_ 104.5000 50.0000
+ 2.0 18 f_ o_ *3 109.5000 60.0000
+ 2.0 18 si_ o_ *1 124.1000 56.4000
+ 2.0 18 si_ o_ si 149.8000 31.1000
+ 2.0 18 * o_ * 109.5000 60.0000
+ 2.0 18 c_ s_ *7 102.0000 58.0000
+ 2.0 18 n_ s_ *6 113.1000 42.3000
+ 2.0 18 o_ s_ *5 113.1000 42.3000
+ 2.0 18 o'_ s_ *5 113.1000 42.3000
+ 2.0 18 s_ s_ *4 103.5000 75.0000
+ 2.0 18 s'_ s_ *4 109.5000 75.0000
+ 2.0 18 h_ s_ *2 112.0000 31.8000
+ 2.0 18 f_ s_ *3 109.5000 75.0000
+ 2.0 18 si_ s_ *1 109.5000 48.0000
+ 2.0 18 * s_ * 109.5000 50.0000
+ 2.0 18 c_ sp_ *7 92.5670 126.5060
+ 2.0 18 n_ sp_ *6 92.5670 126.5060
+ 2.0 18 o_ sp_ *5 92.5670 126.5060
+ 2.0 18 o'_ sp_ *5 92.5670 126.5060
+ 2.0 18 s_ sp_ *4 92.5670 126.5060
+ 2.0 18 s'_ sp_ *4 92.5670 126.5060
+ 2.0 18 h_ sp_ *2 96.0000 48.0000
+ 2.0 18 f_ sp_ *3 92.5670 126.5060
+ 2.0 18 si_ sp_ *1 96.0000 48.0000
+ 2.0 18 * sp_ * 92.5670 120.0000
+ 2.0 18 c_ p_ *9 109.5000 45.0000
+ 2.0 18 n_ p_ *8 109.5000 45.0000
+ 2.0 18 o_ p_ *7 109.5000 45.0000
+ 2.0 18 o'_ p_ *6 120.0000 110.0000
+ 2.0 18 s_ p_ *5 109.5000 45.0000
+ 2.0 18 s'_ p_ *4 120.0000 100.0000
+ 2.0 18 h_ p_ *2 109.5000 45.0000
+ 2.0 18 f_ p_ *3 109.5000 45.0000
+ 2.0 18 si_ p_ *1 109.5000 30.0000
+ 2.0 18 * p_ * 109.5000 45.0000
+ 2.0 18 c_ si_ *7 113.5000 44.4000
+ 2.0 18 n_ si_ *6 113.5000 44.4000
+ 2.0 18 o_ si_ *5 113.1000 42.3000
+ 2.0 18 s_ si_ *4 113.1000 42.3000
+ 2.0 18 h_ si_ *2 112.0000 31.8000
+ 2.0 18 f_ si_ *3 117.3000 44.1000
+ 2.0 18 si_ si_ *1 113.4000 33.3000
+ 2.0 18 * si_ * 113.5000 44.4000
+
+
+
+
+#torsion_1 cvff_auto
+
+> E = Kphi * [ 1 + cos(n*Phi - Phi0) ]
+
+!Ver Ref I J K L Kphi n Phi0
+!---- --- ---- ---- ---- ---- ------- ------ -------
+ 2.0 18 * c_ n3n_ * 0.0500 3 0.
+ 2.0 18 * c'_ n3n_ * 0.7000 2 180.
+ 2.0 18 * cp_ n3n_ * 0.5000 2 180.
+ 2.0 18 * c=_ n3n_ * 0.5000 2 180.
+ 2.0 18 * c=_1 n3n_ * 0.7000 2 180.
+ 2.0 18 * c=_2 n3n_ * 0.7000 2 180.
+ 2.0 18 * c=_3 n3n_ * 0.7000 2 180.
+ 2.0 18 * ct_ n3n_ * 0.0000 0 0.
+ 2.0 18 * na_ n3n_ * 0.0000 0 0.
+ 2.0 18 * n_ n3n_ * 0.0500 2 180.
+ 2.0 18 * n3n_ n3n_ * 0.0500 2 180.
+ 2.0 18 * np_ n3n_ * 0.0500 2 180.
+ 2.0 18 * n=_ n3n_ * 0.0500 2 180.
+ 2.0 18 * n=_1 n3n_ * 0.0500 2 180.
+ 2.0 18 * n=_2 n3n_ * 0.0500 2 180.
+ 2.0 18 * n=_3 n3n_ * 0.0500 2 180.
+ 2.0 18 * o_ n3n_ * 0.3000 3 0.
+ 2.0 18 * s_ n3n_ * 0.3000 2 0.
+ 2.0 18 * si_ n3n_ * 0.0500 3 0.
+ 2.0 18 * c_ c_ * 0.1580 3 0.
+ 2.0 18 * c_ c'_ * 0.0000 0 0.
+ 2.0 18 * c_ cp_ * 0.0000 0 0.
+ 2.0 18 * c_ c=_ * 0.2110 3 0.
+ 2.0 18 * c_ c=_1 * 0.2110 3 0.
+ 2.0 18 * c_ c=_2 * 0.2110 3 0.
+ 2.0 18 * c_ c=_3 * 0.2110 3 0.
+ 2.0 18 * c_ ct_ * 0.0000 0 0.
+ 2.0 18 * c_ na_ * 0.0500 3 0.
+ 2.0 18 * c_ n_ * 0.0000 0 0.
+ 2.0 18 * c_ np_ * 0.0000 0 0.
+ 2.0 18 * c_ n=_ * 0.0000 0 0.
+ 2.0 18 * c_ n=_1 * 0.0000 0 0.
+ 2.0 18 * c_ n=_2 * 0.0000 0 0.
+ 2.0 18 * c_ n=_3 * 0.0000 0 0.
+ 2.0 18 * c_ o_ * 0.1300 3 0.
+ 2.0 18 * c_ s_ * 0.1367 3 0.
+ 2.0 18 * c_ p_ * 0.0000 0 0.
+ 2.0 18 * c_ si_ * 0.1111 3 0.
+ 2.0 18 * c'_ c'_ * 0.4500 2 180.
+ 2.0 18 * c'_ cp_ * 2.5000 2 180.
+ 2.0 18 * c'_ c=_ * 0.4500 2 180.
+ 2.0 18 * c'_ c=_1 * 0.4500 2 180.
+ 2.0 18 * c'_ c=_2 * 0.4500 2 180.
+ 2.0 18 * c'_ c=_3 * 0.4500 2 180.
+ 2.0 18 * c'_ ct_ * 0.0000 0 0.
+ 2.0 18 * c'_ n_ * 3.2000 2 180.
+ 2.0 18 * c'_ n_ h_ 1.2000 2 180.
+ 2.0 18 * c'_ n=_ * 0.9000 2 180.
+ 2.0 18 * c'_ n=_1 * 0.9000 2 180.
+ 2.0 18 * c'_ n=_2 * 0.9000 2 180.
+ 2.0 18 * c'_ n=_3 * 0.9000 2 180.
+ 2.0 18 * c'_ np_ * 5.0000 2 180.
+ 2.0 18 * c'_ np_ h 1.0000 2 180.
+ 2.0 18 * c'_ o_ * 2.2500 2 180.
+ 2.0 18 * c'_ op_ * 2.2500 2 180.
+ 2.0 18 * c'_ s_ * 1.5000 2 180.
+ 2.0 18 * c'_ sp_ * 1.5000 2 180.
+ 2.0 18 * c'_ si_ * 0.0000 0 0.
+ 2.0 18 * cp_ cp_ * 3.0000 2 180.
+ 2.0 18 * cp_ c=_ * 0.5000 2 180.
+ 2.0 18 * cp_ c=_1 * 0.5000 2 180.
+ 2.0 18 * cp_ c=_2 * 0.5000 2 180.
+ 2.0 18 * cp_ c=_3 * 0.5000 2 180.
+ 2.0 18 * cp_ ct_ * 0.0000 0 0.
+ 2.0 18 * cp_ na_ * 2.2500 2 180.
+ 2.0 18 * cp_ n_ * 2.2500 2 180.
+ 2.0 18 * cp_ np_ * 2.0000 2 180.
+ 2.0 18 * cp_ np_ h_ 1.0000 2 180.
+ 2.0 18 * cp_ n=_ * 1.2500 2 180.
+ 2.0 18 * cp_ n=_1 * 1.2500 2 180.
+ 2.0 18 * cp_ n=_2 * 1.2500 2 180.
+ 2.0 18 * cp_ n=_3 * 1.2500 2 180.
+ 2.0 18 * cp_ o_ * 1.8000 2 180.
+ 2.0 18 * cp_ o_ h_ 0.7500 2 180.
+ 2.0 18 * cp_ op_ * 6.0000 2 180.
+ 2.0 18 * cp_ s_ * 1.5000 2 180.
+ 2.0 18 * cp_ sp_ * 6.0000 2 180.
+ 2.0 18 * cp_ si_ * 0.1667 3 0.
+ 2.0 18 * cp_ p_ * 0.2500 3 0.
+ 2.0 18 * c=_ c=_ * 4.0750 2 180.
+ 2.0 18 * c=_3 c=_3 * 4.0750 2 180.
+ 2.0 18 * c=_1 c=_3 * 4.0750 2 180.
+ 2.0 18 * c=_2 c=_2 * 3.0000 2 180.
+ 2.0 18 * c=_1 c=_1 * 0.6250 2 180.
+ 2.0 18 * c=_1 c=_2 * 0.6250 2 180.
+ 2.0 18 * c=_2 c=_3 * 0.6250 2 180.
+ 2.0 18 * c=_ ct_ * 0.0000 0 0.
+ 2.0 18 * c=_ na_ * 0.0000 0 0.
+ 2.0 18 * c=_ n_ * 1.2500 2 180.
+ 2.0 18 * c=_ np_ * 1.5000 2 180.
+ 2.0 18 * c=_ np_ h_ 0.7500 2 180.
+ 2.0 18 * c=_1 ct_ * 0.0000 0 0.
+ 2.0 18 * c=_1 na_ * 0.0000 0 0.
+ 2.0 18 * c=_1 n_ * 1.2500 2 180.
+ 2.0 18 * c=_1 np_ * 1.5000 2 180.
+ 2.0 18 * c=_1 np_ h_ 0.7500 2 180.
+ 2.0 18 * c=_2 ct_ * 0.0000 0 0.
+ 2.0 18 * c=_2 na_ * 0.0000 0 0.
+ 2.0 18 * c=_2 n_ * 1.2500 2 180.
+ 2.0 18 * c=_2 np_ * 1.5000 2 180.
+ 2.0 18 * c=_2 np_ h_ 0.7500 2 180.
+ 2.0 18 * c=_3 ct_ * 0.0000 0 0.
+ 2.0 18 * c=_3 na_ * 0.0000 0 0.
+ 2.0 18 * c=_3 n_ * 1.2500 2 180.
+ 2.0 18 * c=_3 np_ * 1.5000 2 180.
+ 2.0 18 * c=_3 np_ h_ 0.7500 2 180.
+ 2.0 18 * c=_ n=_ * 8.1500 2 180.
+ 2.0 18 * c=_3 n=_3 * 8.1500 2 180.
+ 2.0 18 * c=_1 n=_3 * 8.1500 2 180.
+ 2.0 18 * c=_3 n=_1 * 8.1500 2 180.
+ 2.0 18 * c=_2 n=_2 * 2.5000 2 180.
+ 2.0 18 * c=_1 n=_1 * 0.6250 2 180.
+ 2.0 18 * c=_1 n=_2 * 0.6250 2 180.
+ 2.0 18 * c=_2 n=_1 * 0.6250 2 180.
+ 2.0 18 * c=_2 n=_3 * 0.6250 2 180.
+ 2.0 18 * c=_3 n=_2 * 0.6250 2 180.
+ 2.0 18 * c=_ o_ * 0.9000 2 180.
+ 2.0 18 * c=_ op_ * 4.0000 2 180.
+ 2.0 18 * c=_ s_ * 1.5000 2 180.
+ 2.0 18 * c=_ sp_ * 6.0000 2 180.
+ 2.0 18 * c=_ si_ * 0.2110 3 0.
+ 2.0 18 * c=_ p_ * 1.2500 2 180.
+ 2.0 18 * c=_1 o_ * 0.9000 2 180.
+ 2.0 18 * c=_1 op_ * 4.0000 2 180.
+ 2.0 18 * c=_1 s_ * 1.5000 2 180.
+ 2.0 18 * c=_1 sp_ * 6.0000 2 180.
+ 2.0 18 * c=_1 si_ * 0.2110 3 0.
+ 2.0 18 * c=_1 p_ * 1.2500 2 180.
+ 2.0 18 * c=_2 o_ * 0.9000 2 180.
+ 2.0 18 * c=_2 op_ * 4.0000 2 180.
+ 2.0 18 * c=_2 s_ * 1.5000 2 180.
+ 2.0 18 * c=_2 sp_ * 6.0000 2 180.
+ 2.0 18 * c=_2 si_ * 0.2110 3 0.
+ 2.0 18 * c=_2 p_ * 1.2500 2 180.
+ 2.0 18 * c=_3 o_ * 0.9000 2 180.
+ 2.0 18 * c=_3 op_ * 4.0000 2 180.
+ 2.0 18 * c=_3 s_ * 1.5000 2 180.
+ 2.0 18 * c=_3 sp_ * 6.0000 2 180.
+ 2.0 18 * c=_3 si_ * 0.2110 3 0.
+ 2.0 18 * c=_3 p_ * 1.2500 2 180.
+ 2.0 18 * c+_ n_ * 3.4000 2 180.
+ 2.0 18 * ct_ ct_ * 0.0000 0 0.
+ 2.0 18 * ct_ na_ * 0.0000 0 0.
+ 2.0 18 * ct_ n_ * 0.0000 0 0.
+ 2.0 18 * ct_ np_ * 0.0000 0 0.
+ 2.0 18 * ct_ o_ * 0.0000 0 0.
+ 2.0 18 * ct_ s_ * 0.0000 0 0.
+ 2.0 18 * ct_ si_ * 0.0000 0 0.
+ 2.0 18 * na_ na_ * 0.2500 3 0.
+ 2.0 18 * na_ n_ * 0.0000 0 0.
+ 2.0 18 * na_ np_ * 0.0000 0 0.
+ 2.0 18 * na_ n=_ * 0.0000 0 0.
+ 2.0 18 * na_ n=_1 * 0.0000 0 0.
+ 2.0 18 * na_ n=_2 * 0.0000 0 0.
+ 2.0 18 * na_ n=_3 * 0.0000 0 0.
+ 2.0 18 * na_ o_ * 0.0975 3 0.
+ 2.0 18 * na_ s_ * 0.0975 3 0.
+ 2.0 18 * na_ si_ * 0.0667 3 0.
+ 2.0 18 * n_ n_ * 0.3750 2 180.
+ 2.0 18 * n_ np_ * 0.7500 2 180.
+ 2.0 18 * n_ np_ h_ 0.3750 2 180.
+ 2.0 18 * n_ n=_ * 0.7500 2 180.
+ 2.0 18 * n_ n=_1 * 0.7500 2 180.
+ 2.0 18 * n_ n=_2 * 0.7500 2 180.
+ 2.0 18 * n_ n=_3 * 0.7500 2 180.
+ 2.0 18 * n_ o_ * 0.5000 2 180.
+ 2.0 18 * n_ s_ * 0.5000 2 180.
+ 2.0 18 * n_ si_ * 0.0000 0 0.
+ 2.0 18 * np_ n=_ * 1.5000 2 180.
+ 2.0 18 * np_ n=_1 * 1.5000 2 180.
+ 2.0 18 * np_ n=_2 * 1.5000 2 180.
+ 2.0 18 * np_ n=_3 * 1.5000 2 180.
+ 2.0 18 * np_ np_ * 11.0000 2 180.
+ 2.0 18 * np_ o_ * 1.0000 2 180.
+ 2.0 18 * np_ op_ * 11.0000 2 180.
+ 2.0 18 * np_ s_ * 1.0000 2 180.
+ 2.0 18 * np_ sp_ * 10.0000 2 180.
+ 2.0 18 * np_ si_ * 0.2500 2 180.
+ 2.0 18 h_ np_ n=_ * 0.7500 2 180.
+ 2.0 18 h_ np_ n=_1 * 0.7500 2 180.
+ 2.0 18 h_ np_ n=_2 * 0.7500 2 180.
+ 2.0 18 h_ np_ n=_3 * 0.7500 2 180.
+ 2.0 18 h_ np_ np_ * 5.5000 2 180.
+ 2.0 18 h_ np_ o_ * 0.5000 2 180.
+ 2.0 18 h_ np_ op_ * 5.50000 2 180.
+ 2.0 18 h_ np_ s_ * 0.5000 2 180.
+ 2.0 18 h_ np_ sp_ * 5.5000 2 180.
+ 2.0 18 h_ np_ si_ * 0.1250 2 180.
+ 2.0 18 * n=_ n=_ * 15.0000 2 180.
+ 2.0 18 * n=_3 n=_3 * 15.0000 2 180.
+ 2.0 18 * n=_1 n=_3 * 15.0000 2 180.
+ 2.0 18 * n=_2 n=_2 * 7.5000 2 180.
+ 2.0 18 * n=_1 n=_1 * 1.5000 2 180.
+ 2.0 18 * n=_1 n=_2 * 1.5000 2 180.
+ 2.0 18 * n=_2 n=_3 * 1.5000 2 180.
+ 2.0 18 * n=_ o_ * 0.7000 2 180.
+ 2.0 18 * n=_ s_ * 0.7000 2 180.
+ 2.0 18 * n=_ si_ * 0.2333 2 180.
+ 2.0 18 * n=_1 o_ * 0.7000 2 180.
+ 2.0 18 * n=_1 s_ * 0.7000 2 180.
+ 2.0 18 * n=_1 si_ * 0.2333 2 180.
+ 2.0 18 * n=_2 o_ * 0.7000 2 180.
+ 2.0 18 * n=_2 s_ * 0.7000 2 180.
+ 2.0 18 * n=_2 si_ * 0.2333 2 180.
+ 2.0 18 * n=_3 o_ * 0.7000 2 180.
+ 2.0 18 * n=_3 s_ * 0.7000 2 180.
+ 2.0 18 * n=_3 si_ * 0.2333 2 180.
+ 2.0 22 * o_ o_ * 5.0000 3 0.
+ 2.0 22 * o_ s_ * 5.0000 3 0.
+ 2.0 18 * o_ si_ * 0.3333 3 0.
+ 2.0 18 * o_ p_ * 0.3750 3 0.
+ 2.0 18 * s_ s_ * 5.5000 2 0.
+ 2.0 18 * s_ si_ * 0.2333 3 0.
+ 2.0 18 * s_ p_ * 0.3750 3 0.
+ 2.0 18 * si_ si_ * 0.1667 3 0.
+ 2.0 18 * si_ p_ * 0.0000 3 0.
+
+
+
+
+#out_of_plane cvff_auto
+
+> E = Kchi * [ 1 + cos(n*Chi - Chi0) ]
+
+!Ver Ref I J K L Kchi n Chi0
+!---- --- ---- ---- ---- ---- ------- ------ -------
+ 2.0 18 * c'_ * * 10.0000 2 180.0000
+ 2.0 18 * cp_ * * 0.3700 2 180.0000
+ 2.0 18 * c=_ * * 11.1000 2 180.0000
+ 2.0 18 * n_ * * 0.0500 2 180.0000
+ 2.0 18 * np_ * * 0.3700 2 180.0000
+
+
+#nonbond(12-6) cvff
+
+@type A-B
+@combination geometric
+
+> E = Aij/r^12 - Bij/r^6
+> where Aij = sqrt( Ai * Aj )
+> Bij = sqrt( Bi * Bj )
+
+!Ver Ref I A B
+!---- --- ---- ----------- -----------
+ 1.0 1 h 7108.4660 32.87076
+ 1.0 1 cg 1790340.7240 528.48190
+ 1.0 1 o' 272894.7846 498.87880
+ 1.8 14 oz 272894.7846 498.87880
+ 1.0 1 n 2266872.4000 1230.55700
+ 1.0 1 c' 2968753.3590 1325.70810
+ 1.0 1 c 1981049.2250 1125.99800
+ 1.0 1 hn 0.00000001 0.00000
+ 1.0 1 s 365906.4000 250.80000
+ 1.3 6 s' 1395550.1000 956.80800
+ 1.0 1 o* 629358.0000 625.50000
+ 2.3 25 ospc 629358.0000 625.50000
+ 2.3 25 otip 582000.0000 595.00000
+ 1.0 1 h* 0.00000001 0.00000
+ 2.3 25 hspc 0.00000001 0.00000
+ 2.3 25 htip 0.00000001 0.00000
+ 1.0 1 p 6025894.0000 2195.60000
+ 2.0 20 ca+ 119025.0000 240.25000
+ 1.0 1 si 3149175.0000 710.00000
+ 1.8 14 sz 3149175.0000 710.00000
+ 1.0 1 f 201106.0000 235.20000
+ 1.0 1 cl 1059166.0000 541.00000
+ 1.0 1 br 3572030.0000 1195.00000
+ 1.0 1 Na 14000.0000 300.00000
+ 1.0 1 Cl 25552052.0000 3307.00450
+ 1.0 1 Br 34375640.0000 3517.84460
+ 1.3 9 ar 2312930.0000 1484.09200
+ 2.4 30 he 6315.5582 22.64953
+ 1.0 1 nu 0.00000001 0.00000
+ 2.1 27 Al 3784321.4254 11699.84934
+ 2.1 27 Au 4603936.5046 13692.05223
+ 2.1 27 Pb 24856948.1942 23280.48320
+ 2.1 27 Ni 955901.6916 6768.92014
+ 2.1 27 Pd 2581174.9390 10078.92459
+ 2.1 27 Pt 4576819.9618 16963.30818
+ 2.1 27 Ag 3712095.6064 10865.51833
+ 2.1 27 Cu 1007210.0670 6166.70278
+ 2.1 27 Cr 1222517.4049 7523.46700
+ 2.1 27 Fe 1186612.1982 7590.28296
+ 2.1 27 Li 5192358.6600 9916.81768
+ 2.1 27 Mo 5869689.0344 21298.66304
+ 2.1 27 W 7876811.6340 27853.23915
+ 2.2 29 al 11422865.0000 2282.96606
+ 2.1 27 mg 3149175.0000 710.00000
+ 2.1 27 K 24856948.1942 23280.48320
+
+
+#bond_increments cvff
+
+!Ver Ref I J DeltaIJ DeltaJI
+!---- --- ---- ---- ------- -------
+ 2.3 23 no o- 0.1684 -0.1684
+ 2.3 23 no cp -0.1792 0.1792
+ 2.0 18 c' cp -0.1792 0.1792
+ 1.0 1 c cr 0.0000 0.0000
+ 1.0 1 c ci 0.0000 0.0000
+ 1.0 1 c n1 0.1000 -0.1000
+ 1.0 1 c s1 -0.1000 0.1000
+ 1.0 1 c' o- 0.0700 -0.5700
+ 1.0 1 ci h -0.2300 0.2300
+ 1.0 1 ci ci 0.0000 0.0000
+ 1.0 1 ci ni 0.3200 -0.0700
+ 1.0 1 cr n 0.3800 -0.3800
+ 1.0 1 cr n1 0.5000 0.0000
+ 1.0 1 cr n2 0.0000 0.0000
+ 1.0 1 cr n= 0.4000 -0.4000
+ 1.0 1 n hn -0.2800 0.2800
+ 1.0 1 n lp 0.0000 0.0000
+ 1.0 1 n1 hn 0.0000 0.5000
+ 1.0 1 n1 lp 0.0000 0.0000
+ 1.0 1 n2 hn -0.2800 0.2800
+ 1.0 1 n2 lp 0.0000 0.0000
+ 1.0 1 n3 hn -0.1400 0.1400
+ 1.0 1 n3 lp 0.0000 0.0000
+ 1.0 1 n4 hn -0.1100 0.3600
+ 1.0 1 n4 lp 0.0000 0.0000
+ 1.0 1 np hn -0.2800 0.2800
+ 1.0 1 np lp 0.0000 0.0000
+ 1.0 1 ni hn -0.3600 0.3600
+ 1.0 1 ni lp 0.0000 0.0000
+ 1.0 1 o ho -0.2233 0.2233
+ 1.0 1 o lp 0.0000 0.0000
+ 1.0 1 oh ho -0.3500 0.3500
+ 1.0 1 oh lp 0.0000 0.0000
+ 1.0 1 o* h* -0.4100 0.4100
+ 2.3 25 ospc hspc -0.4100 0.4100
+ 2.3 25 otip htip -0.4170 0.4170
+ 1.0 1 o* lp 0.0000 0.0000
+ 1.0 1 o- p -0.8500 0.3500
+ 2.0 18 s- p -0.6824 0.1824
+ 1.8 14 oz sz -0.1500 0.1500
+ 1.0 1 sh hs -0.1000 0.1000
+ 1.0 1 sh lp 0.0000 0.0000
+ 1.0 1 s1 s1 0.0000 0.0000
+ 1.0 1 h p 0.1000 -0.1000
+ 1.8 14 h sz 0.0200 -0.0200
+ 1.3 4 d d 0.0 0.0
+ 1.0 1 p lp 0.0000 0.0000
+ 1.0 1 f lp 0.0000 0.0000
+ 1.0 1 cl lp 0.0000 0.0000
+ 1.0 1 br lp 0.0000 0.0000
+ 1.0 1 c c 0.0000 0.0000
+ 1.0 1 c c' 0.0000 0.0000
+ 1.0 1 c cp 0.0000 0.0000
+ 1.0 1 c c5 0.0000 0.0000
+ 1.0 1 c cs 0.0000 0.0000
+ 1.0 1 c c= 0.1000 -0.1000
+ 1.0 1 c c=1 0.1000 -0.1000
+ 1.0 1 c c=2 0.1000 -0.1000
+ 2.0 18 c c- 0.0865 -0.0865
+ 1.2 3 c ct 0.0400 -0.0400
+ 1.0 1 c n3 0.2200 -0.2200
+ 1.0 1 c n 0.2200 -0.2200
+ 1.0 1 c n2 0.0000 0.0000
+ 1.0 1 c n= 0.1100 -0.1100
+ 1.0 1 c n=1 0.1100 -0.1100
+ 1.0 1 c n=2 0.1100 -0.1100
+ 1.0 1 c np 0.1100 -0.1100
+ 1.0 1 c n4 0.4200 -0.1700
+ 1.3 5 c nt 0.1000 -0.1000
+ 2.0 18 c nz 0.3640 -0.3640
+ 1.0 1 c o 0.1500 -0.1500
+ 1.0 1 c oh 0.0300 -0.0300
+ 2.0 18 c oz 0.1742 -0.1742
+ 2.0 18 c op 0.3957 -0.3957
+ 1.0 1 c s -0.0500 0.0500
+ 1.0 1 c sh -0.1000 0.1000
+ 2.0 18 c sp 0.1180 -0.1180
+ 2.0 18 c s' 0.1180 -0.1180
+ 2.0 18 c p -0.0785 0.0785
+ 1.0 1 c h -0.1000 0.1000
+ 1.0 1 c f 0.2750 -0.2750
+ 1.0 1 c cl 0.2260 -0.2260
+ 1.0 1 c br 0.1920 -0.1920
+ 2.0 18 c i 0.1120 -0.1120
+ 1.0 1 c si 0.0000 0.0000
+ 2.0 18 c' c' 0.0000 0.0000
+ 1.5 11 c' c5 0.0 0.0
+ 1.5 11 c' cs 0.0 0.0
+ 1.0 1 c' c= 0.0000 0.0000
+ 1.0 1 c' c=1 0.0000 0.0000
+ 1.0 1 c' c=2 0.0000 0.0000
+ 2.0 18 c' c- -0.1368 0.1368
+ 2.0 18 c' ct -0.0927 0.0927
+ 2.0 18 c' n3 -0.0442 0.0442
+ 1.0 1 c' n 0.0000 0.0000
+ 1.0 1 c' n2 0.0000 0.0000
+ 2.0 18 c' n= 0.0362 -0.0362
+ 2.0 18 c' n=1 0.0362 -0.0362
+ 2.0 18 c' n=2 0.0362 -0.0362
+ 2.0 18 c' np 0.0362 -0.0362
+ 2.0 18 c' n4 0.1331 0.1169
+ 2.0 18 c' nt 0.1641 -0.1641
+ 1.0 1 c' o 0.0300 -0.0300
+ 1.0 1 c' oh 0.0300 -0.0300
+ 2.0 18 c' oz -0.0135 0.0135
+ 1.4 10 c' op 0.0300 -0.0300
+ 1.0 1 c' o' 0.3800 -0.3800
+ 2.0 18 c' s -0.1528 0.1528
+ 2.0 18 c' sh -0.2033 0.2033
+ 2.0 18 c' sp -0.1079 0.1079
+ 1.3 7 c' s' 0.0 0.0
+ 2.0 18 c' p -0.3283 0.3283
+ 1.0 1 c' h -0.2132 0.2132
+ 2.0 18 c' f 0.1116 -0.1116
+ 2.0 18 c' cl -0.0594 0.0594
+ 2.0 18 c' br -0.1152 0.1152
+ 2.0 18 c' i -0.1291 0.1291
+ 2.0 18 c' si -0.4405 0.4405
+ 1.0 1 cp cp 0.0000 0.0000
+ 1.0 1 cp c5 0.0000 0.0000
+ 2.0 18 cp cs 0.0000 0.0000
+ 2.0 18 cp c= 0.0000 0.0000
+ 2.0 18 cp c=1 0.0000 0.0000
+ 2.0 18 cp c=2 0.0000 0.0000
+ 2.0 18 cp c- 0.0424 -0.0424
+ 2.0 18 cp ct 0.0852 -0.0852
+ 2.0 18 cp n3 0.1216 -0.1216
+ 1.0 1 cp n 0.1100 -0.1100
+ 1.1 2 cp n2 0.1050 -0.1050
+ 2.0 18 cp n= 0.1993 -0.1993
+ 2.0 18 cp n=1 0.1993 -0.1993
+ 2.0 18 cp n=2 0.1993 -0.1993
+ 1.0 1 cp np 0.1100 -0.1100
+ 2.0 18 cp n4 0.2989 -0.0489
+ 2.0 18 cp nt 0.3230 -0.3230
+ 1.9 16 cp o 0.0282 -0.0282
+ 1.0 1 cp oh 0.0300 -0.0300
+ 2.0 18 cp oz 0.1367 -0.1367
+ 2.0 18 cp op 0.3583 -0.3583
+ 2.0 18 cp o' 0.3583 -0.3583
+ 2.0 18 cp s 0.0282 -0.0282
+ 2.0 18 cp sh -0.0222 0.0222
+ 2.0 18 cp sp 0.0732 -0.0732
+ 2.0 18 cp s' 0.0732 -0.0732
+ 2.0 18 cp p -0.1267 0.1267
+ 1.0 1 cp h -0.1000 0.1000
+ 1.0 1 cp f 0.1300 -0.1300
+ 1.0 1 cp cl 0.1020 -0.1020
+ 1.0 1 cp br 0.0800 -0.0800
+ 2.0 18 cp i 0.0642 -0.0642
+ 2.0 18 cp si -0.2270 0.2270
+ 1.0 1 c5 c5 0.0000 0.0000
+ 1.3 6 c5 cs 0.0000 0.0000
+ 2.0 18 c5 c= 0.0000 0.0000
+ 2.0 18 c5 c=1 0.0000 0.0000
+ 2.0 18 c5 c=2 0.0000 0.0000
+ 2.0 18 c5 c- 0.0424 -0.0424
+ 2.0 18 c5 ct 0.0852 -0.0852
+ 2.0 18 c5 n3 0.1216 -0.1216
+ 1.4 10 c5 n 0.1100 -0.1100
+ 2.0 18 c5 n2 0.1993 -0.1993
+ 2.0 18 c5 n= 0.1993 -0.1993
+ 2.0 18 c5 n=1 0.1993 -0.1993
+ 2.0 18 c5 n=2 0.1993 -0.1993
+ 1.0 1 c5 np 0.1400 -0.1400
+ 2.0 18 c5 n4 0.2989 -0.0489
+ 2.0 18 c5 nt 0.3230 -0.3230
+ 1.2 3 c5 o 0.1100 -0.1100
+ 2.0 18 c5 oh 0.0297 -0.0297
+ 2.0 18 c5 oz 0.1367 -0.1367
+ 1.3 8 c5 op 0.1100 -0.1100
+ 2.0 18 c5 o' 0.3583 -0.3583
+ 1.2 3 c5 s -0.1500 0.1500
+ 2.0 18 c5 sh -0.0222 0.0222
+ 2.0 18 c5 sp 0.0732 -0.0732
+ 2.0 18 c5 s' 0.0732 -0.0732
+ 2.0 18 c5 p -0.1267 0.1267
+ 1.0 1 c5 h -0.1300 0.1300
+ 2.0 18 c5 f 0.2589 -0.2589
+ 2.0 18 c5 cl 0.1163 -0.1163
+ 2.0 18 c5 br 0.0725 -0.0725
+ 2.0 18 c5 i 0.0642 -0.0642
+ 2.0 18 c5 si -0.2270 0.2270
+ 2.0 18 cs cs 0.0000 0.0000
+ 2.0 18 cs c= 0.0000 0.0000
+ 2.0 18 cs c=1 0.0000 0.0000
+ 2.0 18 cs c=2 0.0000 0.0000
+ 2.0 18 cs c- 0.0424 -0.0424
+ 2.0 18 cs ct 0.0852 -0.0852
+ 2.0 18 cs n3 0.1216 -0.1216
+ 2.0 18 cs n 0.1993 -0.1993
+ 2.0 18 cs n2 0.1993 -0.1993
+ 2.0 18 cs n= 0.1993 -0.1993
+ 2.0 18 cs n=1 0.1993 -0.1993
+ 2.0 18 cs n=2 0.1993 -0.1993
+ 2.0 18 cs np 0.1993 -0.1993
+ 2.0 18 cs n4 0.2989 -0.0489
+ 2.0 18 cs nt 0.3230 -0.3230
+ 2.0 18 cs o 0.1367 -0.1367
+ 2.0 18 cs oh 0.0297 -0.0297
+ 2.0 18 cs oz 0.1367 -0.1367
+ 2.0 18 cs op 0.3583 -0.3583
+ 2.0 18 cs o' 0.3583 -0.3583
+ 2.0 18 cs s 0.0282 -0.0282
+ 2.0 18 cs sh -0.0222 0.0222
+ 1.3 6 cs sp -0.1500 0.1500
+ 2.0 18 cs s' 0.0732 -0.0732
+ 2.0 18 cs p -0.1267 0.1267
+ 1.3 6 cs h -0.1300 0.1300
+ 2.0 18 cs f 0.2589 -0.2589
+ 2.0 18 cs cl 0.1163 -0.1163
+ 2.0 18 cs br 0.0725 -0.0725
+ 2.0 18 cs i 0.0642 -0.0642
+ 2.0 18 cs si -0.2270 0.2270
+ 1.0 1 c= c= 0.0000 0.0000
+ 2.0 18 c= c=1 0.0000 0.0000
+ 2.0 18 c= c=2 0.0000 0.0000
+ 2.0 18 c= c- 0.0424 -0.0424
+ 2.0 18 c= ct 0.0852 -0.0852
+ 2.0 18 c= n3 0.1216 -0.1216
+ 2.0 18 c= n 0.1993 -0.1993
+ 2.0 18 c= n2 0.1993 -0.1993
+ 1.0 1 c= n= 0.3000 -0.3000
+ 1.0 1 c= n=1 0.3000 -0.3000
+ 1.0 1 c= n=2 0.3000 -0.3000
+ 2.0 18 c= np 0.1993 -0.1993
+ 2.0 18 c= n4 0.2989 -0.0489
+ 2.0 18 c= nt 0.3230 -0.3230
+ 2.0 18 c= o 0.1367 -0.1367
+ 2.0 18 c= oh 0.0297 -0.0297
+ 2.0 18 c= oz 0.1367 -0.1367
+ 2.0 18 c= op 0.3583 -0.3583
+ 2.0 18 c= o' 0.3583 -0.3583
+ 2.0 18 c= s 0.0282 -0.0282
+ 2.0 18 c= sh -0.0222 0.0222
+ 2.0 18 c= sp 0.0732 -0.0732
+ 2.0 18 c= s' 0.0732 -0.0732
+ 2.0 18 c= p -0.1267 0.1267
+ 1.0 1 c= h -0.1000 0.1000
+ 2.0 18 c= f 0.2589 -0.2589
+ 2.0 18 c= cl 0.1163 -0.1163
+ 2.0 18 c= br 0.0725 -0.0725
+ 2.0 18 c= i 0.0642 -0.0642
+ 2.0 18 c= si -0.2270 0.2270
+ 2.0 18 c=1 c=1 0.0000 0.0000
+ 2.0 18 c=1 c=2 0.0000 0.0000
+ 2.0 18 c=1 c- 0.0424 -0.0424
+ 2.0 18 c=1 ct 0.0852 -0.0852
+ 2.0 18 c=1 n3 0.1216 -0.1216
+ 2.0 18 c=1 n 0.1993 -0.1993
+ 2.0 18 c=1 n2 0.1993 -0.1993
+ 1.0 1 c=1 n= 0.3000 -0.3000
+ 1.0 1 c=1 n=1 0.3000 -0.3000
+ 1.0 1 c=1 n=2 0.3000 -0.3000
+ 2.0 18 c=1 np 0.1993 -0.1993
+ 2.0 18 c=1 n4 0.2989 -0.0489
+ 2.0 18 c=1 nt 0.3230 -0.3230
+ 2.0 18 c=1 o 0.1367 -0.1367
+ 2.0 18 c=1 oh 0.0297 -0.0297
+ 2.0 18 c=1 oz 0.1367 -0.1367
+ 2.0 18 c=1 op 0.3583 -0.3583
+ 2.0 18 c=1 o' 0.3583 -0.3583
+ 2.0 18 c=1 s 0.0282 -0.0282
+ 2.0 18 c=1 sh -0.0222 0.0222
+ 2.0 18 c=1 sp 0.0732 -0.0732
+ 2.0 18 c=1 s' 0.0732 -0.0732
+ 2.0 18 c=1 p -0.1267 0.1267
+ 1.0 1 c=1 h -0.1000 0.1000
+ 2.0 18 c=1 f 0.2589 -0.2589
+ 2.0 18 c=1 cl 0.1163 -0.1163
+ 2.0 18 c=1 br 0.0725 -0.0725
+ 2.0 18 c=1 i 0.0642 -0.0642
+ 2.0 18 c=1 si -0.2270 0.2270
+ 2.0 18 c=2 c=2 0.0000 0.0000
+ 2.0 18 c=2 c- 0.0424 -0.0424
+ 2.0 18 c=2 ct 0.0852 -0.0852
+ 2.0 18 c=2 n3 0.1216 -0.1216
+ 2.0 18 c=2 n 0.1993 -0.1993
+ 2.0 18 c=2 n2 0.1993 -0.1993
+ 1.0 1 c=2 n= 0.3000 -0.3000
+ 1.0 1 c=2 n=1 0.3000 -0.3000
+ 1.0 1 c=2 n=2 0.3000 -0.3000
+ 2.0 18 c=2 np 0.1993 -0.1993
+ 2.0 18 c=2 n4 0.2989 -0.0489
+ 2.0 18 c=2 nt 0.3230 -0.3230
+ 2.0 18 c=2 o 0.1367 -0.1367
+ 2.0 18 c=2 oh 0.0297 -0.0297
+ 2.0 18 c=2 oz 0.1367 -0.1367
+ 2.0 18 c=2 op 0.3583 -0.3583
+ 2.0 18 c=2 o' 0.3583 -0.3583
+ 2.0 18 c=2 s 0.0282 -0.0282
+ 2.0 18 c=2 sh -0.0222 0.0222
+ 2.0 18 c=2 sp 0.0732 -0.0732
+ 2.0 18 c=2 s' 0.0732 -0.0732
+ 2.0 18 c=2 p -0.1267 0.1267
+ 1.0 1 c=2 h -0.1000 0.1000
+ 2.0 18 c=2 f 0.2589 -0.2589
+ 2.0 18 c=2 cl 0.1163 -0.1163
+ 2.0 18 c=2 br 0.0725 -0.0725
+ 2.0 18 c=2 i 0.0642 -0.0642
+ 2.0 18 c=2 si -0.2270 0.2270
+ 2.0 18 c- c- 0.0000 0.0000
+ 2.0 18 c- ct 0.0432 -0.0432
+ 2.0 18 c- n3 0.0824 -0.0824
+ 2.0 18 c- n 0.1607 -0.1607
+ 2.0 18 c- n2 0.1607 -0.1607
+ 2.0 18 c- n= 0.1607 -0.1607
+ 2.0 18 c- n=1 0.1607 -0.1607
+ 2.0 18 c- n=2 0.1607 -0.1607
+ 2.0 18 c- np 0.1607 -0.1607
+ 2.0 18 c- n4 0.2597 -0.0097
+ 2.0 18 c- nt 0.2854 -0.2854
+ 2.0 18 c- o 0.1012 -0.1012
+ 2.0 18 c- oh -0.0058 0.0058
+ 2.0 18 c- oz 0.1012 -0.1012
+ 2.0 18 c- op 0.3241 -0.3241
+ 2.0 18 c- o' 0.3241 -0.3241
+ 2.0 18 c- s -0.0146 0.0146
+ 2.0 18 c- sh -0.0650 0.0650
+ 2.0 18 c- sp 0.0304 -0.0304
+ 2.0 18 c- s' 0.0304 -0.0304
+ 2.0 18 c- s- -0.1223 -0.3777
+ 2.0 18 c- p -0.1744 0.1744
+ 2.0 18 c- h -0.1549 0.1549
+ 2.0 18 c- f 0.2241 -0.2241
+ 2.0 18 c- cl 0.0747 -0.0747
+ 2.0 18 c- br 0.0281 -0.0281
+ 2.0 18 c- i 0.0185 -0.0185
+ 2.0 18 c- si -0.2775 0.2775
+ 2.0 18 ct ct 0.0000 0.0000
+ 2.0 18 ct n3 0.0419 -0.0419
+ 2.0 18 ct n 0.1204 -0.1204
+ 2.0 18 ct n2 0.1204 -0.1204
+ 2.0 18 ct n= 0.1204 -0.1204
+ 2.0 18 ct n=1 0.1204 -0.1204
+ 2.0 18 ct n=2 0.1204 -0.1204
+ 2.0 18 ct np 0.1204 -0.1204
+ 2.0 18 ct n4 0.2181 0.0319
+ 2.0 18 ct nt 0.2454 -0.2454
+ 2.0 18 ct o 0.0644 -0.0644
+ 2.0 18 ct oh -0.0420 0.0420
+ 2.0 18 ct oz 0.0644 -0.0644
+ 2.0 18 ct op 0.2874 -0.2874
+ 2.0 18 ct o' 0.2874 -0.2874
+ 2.0 18 ct s -0.0581 0.0581
+ 2.0 18 ct sh -0.1082 0.1082
+ 2.0 18 ct sp -0.0135 0.0135
+ 2.0 18 ct s' -0.0135 0.0135
+ 2.0 18 ct p -0.2216 0.2216
+ 1.2 3 ct h -0.2000 0.2000
+ 2.0 18 ct f 0.1873 -0.1873
+ 2.0 18 ct cl 0.0319 -0.0319
+ 2.0 18 ct br -0.0173 0.0173
+ 2.0 18 ct i -0.0281 0.0281
+ 2.0 18 ct si -0.3266 0.3266
+ 2.0 18 n3 n3 0.0000 0.0000
+ 2.0 18 n3 n 0.0742 -0.0742
+ 2.0 18 n3 n2 0.0742 -0.0742
+ 2.0 18 n3 n= 0.0742 -0.0742
+ 2.0 18 n3 n=1 0.0742 -0.0742
+ 2.0 18 n3 n=2 0.0742 -0.0742
+ 2.0 18 n3 np 0.0742 -0.0742
+ 2.0 18 n3 n4 0.1650 0.0850
+ 2.0 18 n3 nt 0.1927 -0.1927
+ 2.0 18 n3 o 0.0249 -0.0249
+ 2.0 18 n3 oh -0.0754 0.0754
+ 2.0 18 n3 oz 0.0249 -0.0249
+ 2.0 18 n3 op 0.2369 -0.2369
+ 2.0 18 n3 o' 0.2369 -0.2369
+ 2.0 18 n3 s -0.0967 0.0967
+ 2.0 18 n3 sh -0.1434 0.1434
+ 2.0 18 n3 sp -0.0551 0.0551
+ 2.0 18 n3 s' -0.0551 0.0551
+ 2.0 18 n3 p -0.2518 0.2518
+ 2.0 18 n3 h -0.2386 0.2386
+ 2.0 18 n3 f 0.1415 -0.1415
+ 2.0 18 n3 cl -0.0117 0.0117
+ 2.0 18 n3 br -0.0601 0.0601
+ 2.0 18 n3 i -0.0714 0.0714
+ 2.0 18 n3 si -0.3501 0.3501
+ 2.0 18 n n 0.0000 0.0000
+ 2.0 18 n n2 0.0000 0.0000
+ 2.0 18 n n= 0.0000 0.0000
+ 2.0 18 n n=1 0.0000 0.0000
+ 2.0 18 n n=2 0.0000 0.0000
+ 2.0 18 n np 0.0000 0.0000
+ 2.0 18 n n4 0.0883 0.1617
+ 2.0 18 n nt 0.1186 -0.1186
+ 2.0 18 n o -0.0432 0.0432
+ 2.0 18 n oh -0.1421 0.1421
+ 2.0 18 n oz -0.0432 0.0432
+ 2.0 18 n op 0.1684 -0.1684
+ 2.0 18 n o' 0.1684 -0.1684
+ 2.0 18 n s -0.1755 0.1755
+ 2.0 18 n sh -0.2214 0.2214
+ 2.0 18 n sp -0.1346 0.1346
+ 2.0 18 n s' -0.1346 0.1346
+ 2.0 18 n p -0.3359 0.3359
+ 2.0 18 n h -0.3278 0.3278
+ 2.0 18 n f 0.0731 -0.0731
+ 2.0 18 n cl -0.0897 0.0897
+ 2.0 18 n br -0.1422 0.1422
+ 2.0 18 n i -0.1554 0.1554
+ 2.0 18 n si -0.4367 0.4367
+ 2.0 18 n2 n2 0.0000 0.0000
+ 2.0 18 n2 n= 0.0000 0.0000
+ 2.0 18 n2 n=1 0.0000 0.0000
+ 2.0 18 n2 n=2 0.0000 0.0000
+ 2.0 18 n2 np 0.0000 0.0000
+ 2.0 18 n2 n4 0.0883 0.1617
+ 2.0 18 n2 nt 0.1186 -0.1186
+ 2.0 18 n2 o -0.0432 0.0432
+ 2.0 18 n2 oh -0.1421 0.1421
+ 2.0 18 n2 oz -0.0432 0.0432
+ 2.0 18 n2 op 0.1684 -0.1684
+ 2.0 18 n2 o' 0.1684 -0.1684
+ 2.0 18 n2 s -0.1755 0.1755
+ 2.0 18 n2 sh -0.2214 0.2214
+ 2.0 18 n2 sp -0.1346 0.1346
+ 2.0 18 n2 s' -0.1346 0.1346
+ 2.0 18 n2 p -0.3359 0.3359
+ 2.0 18 n2 h -0.3278 0.3278
+ 2.0 18 n2 f 0.0731 -0.0731
+ 2.0 18 n2 cl -0.0897 0.0897
+ 2.0 18 n2 br -0.1422 0.1422
+ 2.0 18 n2 i -0.1554 0.1554
+ 2.0 18 n2 si -0.4367 0.4367
+ 2.0 18 n= n= 0.0000 0.0000
+ 2.0 18 n= n=1 0.0000 0.0000
+ 2.0 18 n= n=2 0.0000 0.0000
+ 2.0 18 n= np 0.0000 0.0000
+ 2.0 18 n= n4 0.0883 0.1617
+ 2.0 18 n= nt 0.1186 -0.1186
+ 2.0 18 n= o -0.0432 0.0432
+ 2.0 18 n= oh -0.1421 0.1421
+ 2.0 18 n= oz -0.0432 0.0432
+ 2.0 18 n= op 0.1684 -0.1684
+ 2.0 18 n= o' 0.1684 -0.1684
+ 2.0 18 n= o- 0.1684 -0.1684
+ 2.0 18 n= s -0.1755 0.1755
+ 2.0 18 n= sh -0.2214 0.2214
+ 2.0 18 n= sp -0.1346 0.1346
+ 2.0 18 n= s' -0.1346 0.1346
+ 2.0 18 n= p -0.3359 0.3359
+ 2.0 18 n= h -0.3278 0.3278
+ 2.0 18 n= f 0.0731 -0.0731
+ 2.0 18 n= cl -0.0897 0.0897
+ 2.0 18 n= br -0.1422 0.1422
+ 2.0 18 n= i -0.1554 0.1554
+ 2.0 18 n= si -0.4367 0.4367
+ 2.0 18 n=1 n=1 0.0000 0.0000
+ 2.0 18 n=1 n=2 0.0000 0.0000
+ 2.0 18 n=1 np 0.0000 0.0000
+ 2.0 18 n=1 n4 0.0883 0.1617
+ 2.0 18 n=1 nt 0.1186 -0.1186
+ 2.0 18 n=1 o -0.0432 0.0432
+ 2.0 18 n=1 oh -0.1421 0.1421
+ 2.0 18 n=1 oz -0.0432 0.0432
+ 2.0 18 n=1 op 0.1684 -0.1684
+ 2.0 18 n=1 o' 0.1684 -0.1684
+ 2.0 18 n=1 s -0.1755 0.1755
+ 2.0 18 n=1 sh -0.2214 0.2214
+ 2.0 18 n=1 sp -0.1346 0.1346
+ 2.0 18 n=1 s' -0.1346 0.1346
+ 2.0 18 n=1 p -0.3359 0.3359
+ 2.0 18 n=1 h -0.3278 0.3278
+ 2.0 18 n=1 f 0.0731 -0.0731
+ 2.0 18 n=1 cl -0.0897 0.0897
+ 2.0 18 n=1 br -0.1422 0.1422
+ 2.0 18 n=1 i -0.1554 0.1554
+ 2.0 18 n=1 si -0.4367 0.4367
+ 2.0 18 n=2 n=2 0.0000 0.0000
+ 2.0 18 n=2 np 0.0000 0.0000
+ 2.0 18 n=2 n4 0.0883 0.1617
+ 2.0 18 n=2 nt 0.1186 -0.1186
+ 2.0 18 n=2 o -0.0432 0.0432
+ 2.0 18 n=2 oh -0.1421 0.1421
+ 2.0 18 n=2 oz -0.0432 0.0432
+ 2.0 18 n=2 op 0.1684 -0.1684
+ 2.0 18 n=2 o' 0.1684 -0.1684
+ 2.0 18 n=2 s -0.1755 0.1755
+ 2.0 18 n=2 sh -0.2214 0.2214
+ 2.0 18 n=2 sp -0.1346 0.1346
+ 2.0 18 n=2 s' -0.1346 0.1346
+ 2.0 18 n=2 p -0.3359 0.3359
+ 2.0 18 n=2 h -0.3278 0.3278
+ 2.0 18 n=2 f 0.0731 -0.0731
+ 2.0 18 n=2 cl -0.0897 0.0897
+ 2.0 18 n=2 br -0.1422 0.1422
+ 2.0 18 n=2 i -0.1554 0.1554
+ 2.0 18 n=2 si -0.4367 0.4367
+ 2.0 18 np np 0.0000 0.0000
+ 2.0 18 np n4 0.0883 0.1617
+ 2.0 18 np nt 0.1186 -0.1186
+ 2.0 18 np o -0.0432 0.0432
+ 2.0 18 np oh -0.1421 0.1421
+ 2.0 18 np oz -0.0432 0.0432
+ 2.0 18 np op 0.1684 -0.1684
+ 2.0 18 np o' 0.1684 -0.1684
+ 2.0 18 np o- 0.1684 -0.1684
+ 2.0 18 np s -0.1755 0.1755
+ 2.0 18 np sh -0.2214 0.2214
+ 2.0 18 np sp -0.1346 0.1346
+ 2.0 18 np s' -0.1346 0.1346
+ 2.0 18 np p -0.3359 0.3359
+ 2.0 18 np h -0.3278 0.3278
+ 2.0 18 np f 0.0731 -0.0731
+ 2.0 18 np cl -0.0897 0.0897
+ 2.0 18 np br -0.1422 0.1422
+ 2.0 18 np i -0.1554 0.1554
+ 2.0 18 np si -0.4367 0.4367
+ 2.0 18 n4 n4 0.2500 0.2500
+ 2.0 18 n4 nt 0.2842 -0.0342
+ 2.0 18 n4 o 0.1245 0.1255
+ 2.0 18 n4 oh 0.0242 0.2258
+ 2.0 18 n4 oz 0.1245 0.1255
+ 2.0 18 n4 op 0.3418 -0.0918
+ 2.0 18 n4 o' 0.3418 -0.0918
+ 2.0 18 n4 s -0.0257 0.2757
+ 2.0 18 n4 sh -0.0723 0.3223
+ 2.0 18 n4 sp 0.0159 0.2341
+ 2.0 18 n4 s' 0.0159 0.2341
+ 2.0 18 n4 p -0.1994 0.4494
+ 2.0 18 n4 h -0.1978 0.4478
+ 2.0 18 n4 f 0.2438 0.0062
+ 2.0 18 n4 cl 0.0642 0.1858
+ 2.0 18 n4 br 0.0048 0.2452
+ 2.0 18 n4 i -0.0114 0.2614
+ 2.0 18 n4 si -0.3083 0.5583
+ 1.3 4 nt nt 0.0 0.0
+ 2.0 18 nt o -0.1523 0.1523
+ 2.0 18 nt oh -0.2490 0.2490
+ 2.0 18 nt oz -0.1523 0.1523
+ 2.0 18 nt op 0.0585 -0.0585
+ 2.0 18 nt o' 0.0585 -0.0585
+ 2.0 18 nt s -0.3010 0.3010
+ 2.0 18 nt sh -0.3457 0.3457
+ 2.0 18 nt sp -0.2612 0.2612
+ 2.0 18 nt s' -0.2612 0.2612
+ 2.0 18 nt p -0.4691 0.4691
+ 2.0 18 nt h -0.4688 0.4688
+ 2.0 18 nt f -0.0367 0.0367
+ 2.0 18 nt cl -0.2141 0.2141
+ 2.0 18 nt br -0.2727 0.2727
+ 2.0 18 nt i -0.2889 0.2889
+ 2.0 18 nt si -0.5738 0.5738
+ 1.3 4 o o 0.0 0.0
+ 2.0 18 o oh -0.0921 0.0921
+ 2.0 18 o oz 0.0000 0.0000
+ 2.0 18 o op 0.1962 -0.1962
+ 2.0 18 o s -0.1143 0.1143
+ 2.0 18 o sh -0.1565 0.1565
+ 2.0 18 o sp -0.0766 0.0766
+ 2.0 18 o s' -0.0766 0.0766
+ 1.0 1 o p -0.3500 0.3500
+ 2.0 18 o h -0.2432 0.2432
+ 2.0 18 o f 0.1077 -0.1077
+ 2.0 18 o cl -0.0367 0.0367
+ 2.0 18 o br -0.0818 0.0818
+ 2.0 18 o i -0.0924 0.0924
+ 1.0 1 o si -0.1500 0.1500
+ 2.0 18 oh oh 0.0000 0.0000
+ 2.0 18 oh oz 0.0921 -0.0921
+ 2.0 18 oh op 0.2853 -0.2853
+ 2.0 18 oh s -0.0063 0.0063
+ 2.0 18 oh sh -0.0485 0.0485
+ 2.0 18 oh sp 0.0313 -0.0313
+ 2.0 18 oh s' 0.0313 -0.0313
+ 1.0 1 oh p -0.1500 0.1500
+ 2.0 18 oh h -0.1190 0.1190
+ 2.0 18 oh f 0.1983 -0.1983
+ 2.0 18 oh cl 0.0686 -0.0686
+ 2.0 18 oh br 0.0295 -0.0295
+ 2.0 18 oh i 0.0216 -0.0216
+ 2.0 18 oh si -0.2188 0.2188
+ 2.0 18 oh sz -0.2188 0.2188
+ 2.0 18 oh az -0.2188 0.2188
+ 2.0 18 oz oz 0.0000 0.0000
+ 2.0 18 oz op 0.1962 -0.1962
+ 2.0 18 oz s -0.1143 0.1143
+ 2.0 18 oz sh -0.1565 0.1565
+ 2.0 18 oz sp -0.0766 0.0766
+ 2.0 18 oz s' -0.0766 0.0766
+ 2.0 18 oz p -0.2548 0.2548
+ 2.0 18 oz h -0.2432 0.2432
+ 2.0 18 oz ho -0.1 0.1
+ 2.0 18 oz f 0.1077 -0.1077
+ 2.0 18 oz cl -0.0367 0.0367
+ 2.0 18 oz br -0.0818 0.0818
+ 2.0 18 oz i -0.0924 0.0924
+ 2.0 18 oz si -0.1500 0.1500
+ 2.0 18 oz sz -0.1500 0.1500
+ 2.0 18 oz az -0.0 0.0
+ 2.0 18 op op 0.0000 0.0000
+ 2.0 18 op s -0.3386 0.3386
+ 2.0 18 op sh -0.3791 0.3791
+ 2.0 18 op sp -0.3024 0.3024
+ 2.0 18 op s' -0.3024 0.3024
+ 2.0 18 op p -0.4933 0.4933
+ 2.0 18 op h -0.4943 0.4943
+ 2.0 18 op f -0.0888 0.0888
+ 2.0 18 op cl -0.2585 0.2585
+ 2.0 18 op br -0.3140 0.3140
+ 2.0 18 op i -0.3297 0.3297
+ 2.0 18 op si -0.5883 0.5883
+ 2.0 18 o' o' 0.0000 0.0000
+ 2.0 18 o' s -0.3386 0.3386
+ 2.0 18 o' sh -0.3791 0.3791
+ 2.0 18 o' sp -0.3024 0.3024
+ 2.0 18 o' s' -0.3024 0.3024
+ 1.0 1 o' p -0.8500 0.3500
+ 2.0 18 o' h -0.4943 0.4943
+ 2.0 18 o' f -0.0888 0.0888
+ 2.0 18 o' cl -0.2585 0.2585
+ 2.0 18 o' br -0.3140 0.3140
+ 2.0 18 o' i -0.3297 0.3297
+ 2.0 18 o' si -0.5883 0.5883
+ 1.0 1 s s 0.0000 0.0000
+ 2.0 18 s sh -0.0509 0.0509
+ 2.0 18 s sp 0.0455 -0.0455
+ 2.0 18 s s' 0.0455 -0.0455
+ 2.0 18 s p -0.1600 0.1600
+ 2.0 18 s h -0.1392 0.1392
+ 2.0 18 s f 0.2380 -0.2380
+ 2.0 18 s cl 0.0898 -0.0898
+ 2.0 18 s br 0.0437 -0.0437
+ 2.0 18 s i 0.0345 -0.0345
+ 2.0 18 s si -0.2634 0.2634
+ 2.0 18 sh sh 0.0000 0.0000
+ 2.0 18 sh sp 0.0964 -0.0964
+ 2.0 18 sh s' 0.0964 -0.0964
+ 2.0 18 sh p -0.1032 0.1032
+ 2.0 18 sh h -0.0787 0.0787
+ 2.0 18 sh f 0.2794 -0.2794
+ 2.0 18 sh cl 0.1392 -0.1392
+ 2.0 18 sh br 0.0966 -0.0966
+ 2.0 18 sh i 0.0889 -0.0889
+ 2.0 18 sh si -0.2032 0.2032
+ 2.0 18 sp sp 0.0000 0.0000
+ 2.0 18 sp s' 0.0000 0.0000
+ 2.0 18 sp p -0.2106 0.2106
+ 2.0 18 sp h -0.1932 0.1932
+ 2.0 18 sp f 0.2011 -0.2011
+ 2.0 18 sp cl 0.0457 -0.0457
+ 2.0 18 sp br -0.0034 0.0034
+ 2.0 18 sp i -0.0140 0.0140
+ 2.0 18 sp si -0.3172 0.3172
+ 2.0 18 s' s' 0.0000 0.0000
+ 2.0 18 s' p -0.2106 0.2106
+ 2.0 18 s' h -0.1932 0.1932
+ 2.0 18 s' f 0.2011 -0.2011
+ 2.0 18 s' cl 0.0457 -0.0457
+ 2.0 18 s' br -0.0034 0.0034
+ 2.0 18 s' i -0.0140 0.0140
+ 2.0 18 s' si -0.3172 0.3172
+ 2.0 18 p p 0.0000 0.0000
+ 2.0 18 p h 0.0356 -0.0356
+ 2.0 18 p f 0.3869 -0.3869
+ 2.0 18 p cl 0.2544 -0.2544
+ 2.0 18 p br 0.2156 -0.2156
+ 2.0 18 p i 0.2110 -0.2110
+ 2.0 18 p si -0.1069 0.1069
+ 1.3 4 h h 0.0 0.0
+ 2.0 18 h f 0.3823 -0.3823
+ 2.0 18 h cl 0.2404 -0.2404
+ 2.0 18 h br 0.1978 -0.1978
+ 2.0 18 h i 0.1923 -0.1923
+ 1.0 1 h si 0.0200 -0.0200
+ 1.3 4 f f 0.0 0.0
+ 2.0 18 f cl -0.1589 0.1589
+ 2.0 18 f br -0.2099 0.2099
+ 2.0 18 f i -0.2234 0.2234
+ 2.0 18 f si -0.4789 0.4789
+ 1.3 4 cl cl 0.0 0.0
+ 2.0 18 cl br -0.0507 0.0507
+ 2.0 18 cl i -0.0623 0.0623
+ 2.0 18 cl si -0.3598 0.3598
+ 1.3 4 br br 0.0 0.0
+ 2.0 18 br i -0.0110 0.0110
+ 2.0 18 br si -0.3272 0.3272
+ 1.3 4 i i 0.0 0.0
+ 2.0 18 i si -0.3263 0.3263
+ 2.0 18 si si 0.0000 0.0000
+
+#reference 1
+CVFF forcefield file in new format, converted from original format
+file shipped with Discover 2.6.0 / InsightII 1.1.0 / Insight 2.6
+September 1990
+@Author Biosym Technologies, Inc.
+@Date 13-December-90
+
+#reference 2
+Lone pair lp had incorrect mass of 0.001097.
+Bond increment for n2 cp had the wrong sign.
+@Author Jon Hurley
+@Date 13-December-90
+
+#reference 3
+Adding bond increments for ct, nt bonded to reasonable atoms.
+Adding bond increments for c5-o in furan
+Adding bond increments for c5-s in thiofuran
+In all cases using MOPAC charges as a guide, coupled with preexisting
+bond increments in CVFF which leave little flexibility.
+@Author Paul Saxe
+@Date 13-December-90
+
+#reference 4
+Parameters derived from diatomic bond length and stretching data from
+Gerhard Herzberg, "Spectra of Diatomic Molecules", New York, van
+Nostrand Reinholt Co, 1950 and from CRC Handbook of Chemistry and
+Physics, 54th Edition, 1973-1974.
+@Author Paul Saxe
+@Date 28-February-91
+
+#reference 5
+Angle parameters for azo groups from Don Mackay/Dave Haney at Biosym.
+The angle parameter force constants are only approximate. Note that
+CVFF has zero torsion parameters defined for these interactions, since
+they are linear. The zero forces the torsion to be skipped, which is
+needed since linear torsions are not well defined.
+@Author Paul Saxe
+@Date 28-February-91
+
+#reference 6
+Parameters for thiophene type sulfur derived by Kit Lau, Biosym.
+These parameters replace those in reference 3, which used c5 and s as
+the atoms types.
+@Author Kit Lau
+@Date 28-February-91
+
+#reference 7
+Parameters for thioketone type sulfur derived by Kit Lau, Biosym,
+partly derived from parameters given in S. Dasgupta and W. A. Goddard
+III, J. Chem. Phys. 90, 7207 (1989).
+@Author Kit Lau
+@Date 28-February-91
+
+#reference 8
+Changing parameters so that O in aromatic rings, e.g. furan, is "op"
+rather than "o". The parameters are not yet complete in this version
+and must be worked on in the future.
+@Author Paul Saxe
+@Date 28-February-91
+
+#reference 9
+Argon nonbond parameters from
+D. Brown and J.H.R. Clarke, "A comparison of constant energy, constant
+temperature and constant pressure ensembles in molecular dynamics
+simulations of atomic liquids", Molecular Physics, 51, 1243 (1984).
+@Author Paul Saxe
+@Date 28-February-91
+
+#reference 10
+Adding two bond increments: c5-n in analogy to cp-n, and c'-op the
+same as c'-o so that the charges can be assigned as the were in the
+past before some "o"'s became "op"'s. These increments are approximate.
+@Author Paul Saxe
+@Date 12-March-91
+
+#reference 11
+Adding zero increments for c' - c5 or cs bonds.
+@Author Paul Saxe
+@Date 19-March-91
+
+#reference 12
+Adding automatic parameters designed to set isocaynate (*-N=C=O) torsion to
+zero because it is linear.
+@Author Paul Saxe
+@Date 17-July-91
+
+#reference 13
+Changing the form of the out-of-plane automatic parameters to reflect
+the documentation.
+@Author Jon Hurley
+@Date 15-Oct-91
+
+#reference 14
+Adding in three new atom types: pz, oz and sz for catalysis to server
+as stubs for user modification. Currently there are simply parameters
+for silicate, copied directly from previous si and o parameters.
+@Author Paul Saxe
+@Date 07-Nov-91
+
+#reference 15
+Adding a torsion parametr, cp cp o c = 1.8 so that the rotation barrier
+around bond cp-o in anisole matches the experimental value ~3.0kcal/mole
+and the equilibrium geometry of anisole has torsion angle cp-cp-o-c =0
+@Author Shenghua Shi
+@Date 28-Feb-92
+
+#reference 16
+Adding a new bond increments: cp-o in analogy to cp-oh, but smaller (from cff91)
+@Author Shenghua Shi
+@Date 3-March-92
+
+#reference 17
+Changing torsion parameter, cp cp c cp, from 0, 0, 0, to 0.675, 4, 0,
+to fit the ab initio results (from polymer).
+@Author Shenghua Shi
+@Date 16-March-92
+
+#reference 18
+Automatic parameter assignment included
+@Author Shenghua Shi
+@Date 18-August-92
+
+#reference 19
+For conjugated systems
+@Author Shenghua Shi
+@Date 18-August-92
+
+#reference 20
+Atom type for Calcium ion - Ca++ has been changed to ca+
+@Author Shenghua Shi
+@Date 31-August-92
+
+#reference 21
+Atom type c" has been changed to c*
+@Author Shenghua Shi
+@Date 19-October-92
+
+#reference 22
+the auto torsion parameters for (* o_ o_ *) and (* o_ s_ *) changed
+from (1.00 3 ) to (5.00 2)
+@Author Shenghua Shi
+@Date 12-July-93
+
+#reference 23
+Atom type no for nitros has been added
+@Author Tom Thacher
+@Date 19-October-93
+
+#reference 24
+the atom types (c,co,c3m and c4m) equivalenced to cg
+@Author Shenghua Shi
+@Date 29-October-93
+
+#reference 25
+Atom type ospc and otip added.
+@Author Tom Thacher
+@Date 10-November-94
+
+#reference 26
+Changes for Catalysis2.0
+@Author Clive Freeman
+@Date 02-September-92
+
+#reference 27
+Changes for Catalysis2.0
+Metal parameters from T. Halicioglu and M. Pound, phys. stat. sol. (a) 30, 619, 1975
+@Author Clive Freeman
+@Date 02-September-92
+
+#reference 28
+Changes for Catalysis3.0
+Parameters for Potatssium, Magnesium and Fluorine and Equivalences
+For 1st Approximation Simulations
+@Author Consortium Development Effort
+@Date 07-June-93
+#end
+
+#reference 29
+@Author sml
+@Date 11-September-94
+Added Non-Bonded parameters for type (al)
+#end
+
+#reference 30
+@Author Shyamal Nath
+@Date 01-March-2002
+Added parameters for helium (he)
+#end
+
+
diff --git a/tools/msi2lmp/biosym_frc_files/cvff_aug.frc b/tools/msi2lmp/biosym_frc_files/cvff_aug.frc
new file mode 100644
index 0000000000..9fcdd30068
--- /dev/null
+++ b/tools/msi2lmp/biosym_frc_files/cvff_aug.frc
@@ -0,0 +1,5180 @@
+!BIOSYM forcefield 1
+!ionic_elements
+! Ver Ref Element Type Charge Coordination Comment
+! --- --- ------- ---- ------ ------------ ----------------------------------------------
+! 1.0 1 Si sz 2.4 0 Tetrahedral Silicon in a Zeolite or Silicate
+! 1.0 1 O oz -1.2 0 Oxygen in a Zeolite or Silicate
+! 1.0 1 Al az 1.4 0 Tetrahedral Aluminum atom in zeolites
+! 1.0 1 P pz 3.4 0 Phosphorous atom in zeolites
+! 1.0 1 Ga ga 1.4 0 Gallium atom in zeolites
+! 1.0 1 Ge ge 2.4 0 Germanium atom in zeolites
+! 1.0 1 Ti tioc 1.6 6 Titanium (Octahedral) in zeolites
+! 1.0 1 Ti titd 2.4 0 Titanium (Tetrahedral) in zeolites
+! 1.0 1 Li li+ 1.0 0 Lithium ion in zeolites
+! 1.0 1 Na na+ 1.0 0 Sodium ion in zeolites
+! 1.0 1 K k+ 1.0 0 Potassium ion in zeolites
+! 1.0 1 Rb rb+ 1.0 0 Rubidium ion in zeolites
+! 1.0 1 Cs cs+ 1.0 0 Cesium ion in zeolites
+! 1.0 1 Mg mg2+ 2.0 0 Magnesium ion in zeolites
+! 1.0 1 Ca ca2+ 2.0 0 Calcium ion in zeolites
+! 1.0 1 Ba ba2+ 2.0 0 Barium ion in zeolites
+! 1.0 1 Cu cu2+ 2.0 0 Copper(II) ion in zeolites
+! 1.0 1 F f- -1.0 0 Fluoride ion in zeolites
+! 1.0 1 Cl cl- -1.0 0 Chloride ion in zeolites
+! 1.0 1 Br br- -1.0 0 Bromide ion in zeolites
+! 1.0 1 I i- -1.0 0 Iodide ion in zeolites
+! 1.0 1 S so4 2.8 0 Sulfur in sulphate ion to be used with oz
+!
+! 1.0 2 Si sy 4.0 0 Tetrahedral Silicon atom in Clays
+! 1.0 2 O oy -2.0 0 Oxygen atom in Clays
+! 1.0 2 Al ay 3.0 6 Octahedral Aluminum atom in Clays
+! 1.0 2 Al ayt 3.0 0 Tetrahedral Aluminum atom to be used with oy
+! 1.0 2 Na nac+ 1.0 0 Sodium ion in Clays
+! 1.0 2 Mg mg2c 2.0 0 Octahedral Magnesium ion in Clays
+! 1.0 2 Fe fe2c 2.0 0 Octahedral Fe(II) ion in clays
+! 1.0 2 Mn mn4c 4.0 0 Manganese (IV) ion to be used with oy
+! 1.0 2 Mn mn3c 3.0 0 Manganese (III) ion to be used with oy
+! 1.0 2 Co co2c 2.0 0 Cobalt (II) ion to be used with oy
+! 1.0 2 Ni ni2c 2.0 0 Nickel (II) ion to be used with oy
+! 1.0 2 Li lic+ 1.0 0 Lithium ion to be used with oy
+! 1.0 2 Pd pd2+ 2.0 0 Palladium(II)
+! 1.0 2 Ti ti4c 4.0 0 Titanium (Octahedral) to be used with oy
+! 1.0 2 Sr sr2c 2.0 0 Strontium ion to be used with oy
+! 1.0 2 Ca ca2c 2.0 0 Calcium ion to be used with oy
+! 1.0 2 Cl cly- -1.0 0 Chloride ion to be used with oy
+! 1.0 2 H hocl 1.0 0 Hydrogen in hydroxyl group in Clays
+! 1.0 2 P py 5.0 0 Phosphorous atom to be used with oy
+! 1.0 2 V vy 4.0 0 Tetrahedral Vanadium to be used with oy
+! 1.0 2 N nh4+ 1.0 0 United atom type for ammonium ion to be used with oy
+! 1.0 2 S so4y 6.0 0 Sulfur in sulphate ion to be used with oy
+!
+! 1.0 3 Li lioh 1.0 0 Lithium ion in water to be used with o*
+! 1.0 3 Na naoh 1.0 0 Sodium ion in water to be used with o*
+! 1.0 3 K koh -1.0 0 Potassium ion in water to be used with o*
+! 1.0 3 F foh -1.0 0 Fluoride ion in water to be used with o*
+! 1.0 3 Cl cloh -1.0 0 Chloride ion in water to be used with o*
+! 1.0 3 Be beoh 0.0 0 Beryllium (II) in water to be used with o*
+!
+! 1.0 4 Al al 0.0 0 Aluminium metal
+! 1.0 4 Na Na 0.0 0 Sodium metal
+! 1.0 4 Pt Pt 0.0 0 Platinum metal
+! 1.0 4 Pd Pd 0.0 0 Palladium metal
+! 1.0 4 Au Au 0.0 0 Gold metal
+! 1.0 4 Ag Ag 0.0 0 Silver metal
+! 1.0 4 Sn Sn 0.0 0 Tin metal
+! 1.0 4 K K 0.0 0 Potassium metal
+! 1.0 4 Li Li 0.0 0 Lithium metal
+! 1.0 4 Mo Mn 0.0 0 Molybdenum metal
+! 1.0 4 Fe Fe 0.0 0 Iron metal
+! 1.0 4 W W 0.0 0 Tungsten metal
+! 1.0 4 Ni Ni 0.0 0 Nickel metal
+! 1.0 4 Cr Cr 0.0 0 Chromium metal
+! 1.0 4 Cu Cu 0.0 0 Copper metal
+! 1.0 4 Pb Pb 0.0 0 Lead metal
+!
+!end_ionic_elements
+!
+!*******************************************************************!
+! !
+! This is a modified version of cvff forcefield which includes !
+! Many new atom types for simulations of zeolites and !
+! related compounds. While every effort has been made to insure !
+! reliability of this forcefield, many of the parameters for this !
+! forcefield are still going under extensive testing. Please !
+! report both successful applications and problems with this !
+! forcefield to: !
+! !
+! !
+! Biosym Technologies !
+! 9685 Scranton Road !
+! San Diego, CA 92121, USA !
+! !
+! or through e-mail to: !
+! !
+! mssup@biosym.com !
+! !
+! !
+! Also please note that the parameters for the above potential !
+! types were derived using Ewald summation and with no bonding !
+! between the above atom types. If manual assignment of atom !
+! typing is required, you must additionally remove the covalent !
+! bonds between atoms of the above types and always use Ewald !
+! summation method for summing the Coulombic terms. !
+! !
+! Thank you very much indeed !
+! !
+!*******************************************************************!
+!
+!
+#version cvff.frc 1.2 13-Dec-90
+#version cvff.frc 1.3 28-Feb-91
+#version cvff.frc 1.4 12-Mar-91
+#version cvff.frc 1.5 19-Mar-91
+#version cvff.frc 1.6 17-Jul-91
+#version cvff.frc 1.7 15-Oct-91
+#version cvff.frc 1.8 07-Nov-91
+#version cvff.frc 1.9 09-Mar-92
+#version cvff.frc 2.0 22-Jul-92
+#version cvff.frc 3.0 29-Jul-93
+#version cvff.frc 3.1 26-Aug-94
+#version cvff.frc 3.2 14-Nov-94
+#version cvff.frc 3.3 07-Dec-94
+#version cvff.frc 3.4 15-Dec-94
+
+
+! Currently Insight does not handle version numbers on lines correctly.
+! It uses the first occurence of a line, so when making changes you
+! can either comment the original out temporarily or put the correct
+! line first.
+
+
+
+#define cvff_nocross
+
+> This is the new format version of the cvff forcefield
+
+!Ver Ref Function Label
+!---- --- --------------------------------- ------
+ 2.0 18 atom_types cvff
+ 1.0 1 equivalence cvff
+ 2.0 18 auto_equivalence cvff_auto
+ 1.0 1 hbond_definition cvff
+ 2.0 18 morse_bond cvff cvff_auto
+ 2.0 18 quadratic_angle cvff cvff_auto
+ 2.0 18 torsion_1 cvff cvff_auto
+ 2.0 18 out_of_plane cvff cvff_auto
+ 1.0 1 nonbond(12-6) cvff
+
+
+#define cvff_nocross_nomorse
+
+> This is the new format version of the cvff forcefield
+
+!Ver Ref Function Label
+!---- --- --------------------------------- ------
+ 2.0 18 atom_types cvff
+ 1.0 1 equivalence cvff
+ 2.0 18 auto_equivalence cvff_auto
+ 1.0 1 hbond_definition cvff
+ 2.0 18 quadratic_bond cvff cvff_auto
+ 2.0 18 quadratic_angle cvff cvff_auto
+ 2.0 18 torsion_1 cvff cvff_auto
+ 2.0 18 out_of_plane cvff cvff_auto
+ 1.0 1 nonbond(12-6) cvff
+
+
+#define cvff
+
+> This is the new format version of the cvff forcefield
+
+!Ver Ref Function Label
+!---- --- --------------------------------- ------
+ 2.0 18 atom_types cvff
+ 1.0 1 equivalence cvff
+ 2.0 18 auto_equivalence cvff_auto
+ 1.0 1 hbond_definition cvff
+ 2.0 18 morse_bond cvff cvff_auto
+ 2.0 18 quadratic_angle cvff cvff_auto
+ 2.0 18 torsion_1 cvff cvff_auto
+ 2.0 18 out_of_plane cvff cvff_auto
+ 1.0 1 bond-bond cvff
+ 1.0 1 bond-angle cvff
+ 1.0 1 angle-angle-torsion_1 cvff
+ 1.0 1 out_of_plane-out_of_plane cvff
+ 1.0 1 angle-angle cvff
+ 1.0 1 nonbond(12-6) cvff
+
+
+
+#define cvff_nomorse
+
+> This is the new format version of the cvff forcefield
+
+!Ver Ref Function Label
+!---- --- --------------------------------- ------
+ 2.0 18 atom_types cvff
+ 1.0 1 equivalence cvff
+ 2.0 18 auto_equivalence cvff_auto
+ 1.0 1 hbond_definition cvff
+ 2.0 18 quadratic_bond cvff cvff_auto
+ 2.0 18 quadratic_angle cvff cvff_auto
+ 2.0 18 torsion_1 cvff cvff_auto
+ 2.0 18 out_of_plane cvff cvff_auto
+ 1.0 1 bond-bond cvff
+ 1.0 1 bond-angle cvff
+ 1.0 1 angle-angle-torsion_1 cvff
+ 1.0 1 out_of_plane-out_of_plane cvff
+ 1.0 1 angle-angle cvff
+ 1.0 1 nonbond(12-6) cvff
+
+#define cvff_aug
+
+> This specifes the use of the ionic parameter types
+
+!Ver Ref Function Label
+!---- --- --------------------------------- ------
+ 2.0 18 atom_types cvff
+ 1.0 1 nonbond(12-6) cvff
+
+
+#atom_types cvff
+
+> Atom type definitions for any variant of cvff
+> Masses from CRC 1973/74 pages B-250.
+
+!Ver Ref Type Mass Element Connections Comment
+!---- --- ---- ---------- ------- -----------------------------------------
+ 1.0 1 h 1.007970 H 1 Hydrogen bonded to C. Masses from CRC 1973/74 pages B-250.
+ 1.0 1 d 2.014000 H 1 General Deuterium
+ 1.0 1 hn 1.007970 H 1 Hydrogen bonded to N
+ 1.0 1 ho 1.007970 H 1 Hydrogen bonded to O
+ 1.0 1 hp 1.007970 H 1 Hydrogen bonded to P
+ 1.0 1 hs 1.007970 H 1 Hydrogen bonded to S
+ 1.0 1 h* 1.007970 H 1 Hydrogen in water molecule
+ 1.0 1 h$ 1.007970 H 1 Hydrogen atom for automatic parameter assignment
+ 1.0 1 lp 0.001097 L 1 Lone Pair
+ 1.1 2 lp 1.000000 L 1 Lone Pair
+ 2.0 18 h+ 1.007970 H 1 Charged hydrogen in cations
+ 2.0 18 hc 1.007970 H 1 Hydrogen bonded to carbon
+ 2.0 18 hi 1.007970 H 1 Hydrogen in charged imidazole ring
+ 2.0 18 hw 1.007970 H 1 Hydrogen in water
+ 2.0 18 dw 2.014000 D 1 Deuterium in heivy water
+ 1.0 1 c 12.011150 C 4 Sp3 aliphatic carbon
+ 1.0 1 cg 12.011150 C 4 Sp3 alpha carbon in glycine
+ 1.0 1 c' 12.011150 C 3 Sp2 carbon in carbonyl (C=O) group
+ 2.0 21 c* 12.011150 C 3 Carbon in carbonyl group, non_amides
+ 2.0 18 c" 12.011150 C 3 Carbon in carbonyl group, non_amides
+ 1.0 1 cp 12.011150 C 3 Sp2 aromatic carbon (partial double bonds)
+ 1.0 1 cr 12.011150 C 3 Carbon in guanidinium group (HN=C(NH2)2)
+ 2.0 18 c+ 12.011150 C 3 C in guanidinium group
+ 1.0 1 c- 12.011150 C 3 Carbon in charged carboxylate (COO-) group
+ 1.0 1 ca 12.011150 C 4 General amino acid alpha carbon (sp3)
+ 1.0 1 c3 12.011150 C 4 Sp3 carbon in methyl (CH3) group
+ 1.0 1 cn 12.011150 C 4 Sp3 Carbon bonded to N
+ 1.0 1 c2 12.011150 C 4 Sp3 carbon bonded to 2 H's, 2 heavy atoms
+ 1.0 1 c1 12.011150 C 4 Sp3 carbon bonded to 1 H, 3 Heavy atoms
+ 1.0 1 c5 12.011150 C 3 Sp2 aromatic carbon in five membered ring
+ 1.3 6 cs 12.011150 C 3 Sp2 carbon involved in thiophene
+ 1.0 1 c= 12.011150 C 3 Non aromatic end doubly bonded carbon
+ 2.0 19 c=1 12.011150 C 3 Non aromatic, next to end doubly bonded carbon
+ 2.0 19 c=2 12.011150 C 3 Non aromatic doubly bonded carbon
+ 1.0 1 ct 12.011150 C 2 Sp carbon involved in triple bond
+ 1.0 1 ci 12.011150 C 3 Aromatic carbon in a charged imidazole ring (HIS+)
+ 1.0 1 c$ 12.011150 C 4 Carbon atom for automatic parameter assignment
+ 2.0 18 co 12.011150 C 4 Sp3 carbon in acetals
+ 2.0 18 c3m 12.011150 C 4 Sp3 carbon in 3-membered ring
+ 2.0 18 c4m 12.011150 C 4 Sp3 carbon in 4-membered ring
+ 2.0 18 coh 12.011150 C 4 Sp3 carbon in acetals with hydrogen
+ 2.0 18 c3h 12.011150 C 4 Sp3 carbon in 3-membered ring with hydrogens
+ 2.0 18 c4h 12.011150 C 4 Sp3 carbon in 4-membered ring with hydrogens
+ 2.0 18 ci 12.011150 C 3 Sp2 aromatic carbon in charged imidazole ring (His+)
+ 1.0 1 n 14.006700 N 3 Sp2 nitrogen with 1 H, 2 heavy atoms (amide group)
+ 3.0 22 no 14.006700 N 3 Sp2 nitrogen in nitro group
+ 1.0 1 n2 14.006700 N 3 Sp2 nitrogen (NH2 in the guanidinium group (HN=C(NH2)2))
+ 1.0 1 np 14.006700 N 2 Sp2 aromatic nitrogen (partial double bonds)
+ 1.0 1 n3 14.006700 N 3 Sp3 nitrogen with three substituents
+ 1.0 1 n4 14.006700 N 4 Sp3 nitrogen with four substituents
+ 1.0 1 n= 14.006700 N 2 Non aromatic end double bonded nitrogen
+ 2.0 19 n=1 14.006700 N 2 Non aromatic, next to end doubly bonded carbon
+ 2.0 19 n=2 14.006700 N 2 Non aromatic doubly bonded nitrogen
+ 1.0 1 nt 14.006700 N 1 Sp nitrogen involved in triple bond
+ 1.3 4 nz 14.006700 N 1 Sp nitrogen in N2
+ 1.0 1 n1 14.006700 N 3 Sp2 nitrogen in charged arginine
+ 1.0 1 ni 14.006700 N 3 Sp2 nitrogen in a charged imidazole ring (HIS+)
+ 1.0 1 n$ 14.006700 N 3 Nitrogen atom for automatic parameter assignment
+ 2.0 18 na 14.006700 N 3 Sp3 nitrogen in amines
+ 2.0 18 n3m 14.006700 N 3 Sp3 nitrogen in 3- membered ring
+ 2.0 18 n4m 14.006700 N 3 Sp3 nitrogen in 4- membered ring
+ 2.0 18 n3n 14.00670 N 3 Sp2 nitrogen in 3- membered ring
+ 2.0 18 n4n 14.00670 N 3 Sp2 nitrogen in 4- membered ring
+ 2.0 18 nb 14.006700 N 3 sp2 nitrogen in aromatic amines
+ 2.0 18 nn 14.006700 N 3 sp2 nitrogen in aromatic amines
+ 2.0 18 npc 14.006700 N 3 sp2 nitrogen in 5- or 6- membered ring bonded to a heavy atom
+ 2.0 18 nh 14.006700 N 3 sp2 nitrogen in 5-or 6- membered ring with hydrogen attached
+ 2.0 18 nho 14.006700 N 3 sp2 nitrogen in 6- membered ring next to a carbonyl group and with a hydrogen
+ 2.0 18 nh+ 14.006700 N 3 protonated nitrogen in 6- membered ring with hydrogen attached
+ 2.0 18 n+ 14.006700 N 4 sp3 nitrogen in protonated amines
+ 2.0 18 nr 14.006700 N 3 sp2 nitrogen (NH2) in guanidinium group (HN=C(NH2)2)
+ 1.0 1 o' 15.999400 O 1 Oxygen in carbonyl (C=O) group
+ 1.0 1 o 15.999400 O 2 sp3 oxygen in ether or ester groups
+ 1.0 1 o- 15.999400 O 1 Oxygen in charged carboxylate (COO-) group
+ 1.0 1 oh 15.999400 O 2 Oxygen in hydroxyl (OH) group
+ 1.0 1 o* 15.999400 O 2 Oxygen in water molecule
+ 1.3 8 op 15.999400 O 2 Oxygen in aromatic rings. e.g. furan
+ 1.0 1 of 15.999400 O 2 Oxygen in
+ 1.0 1 o$ 15.999400 O 2 Oxygen atom for automatic parameter assignment
+ 2.0 18 oc 15.999400 O 2 sp3 oxygen in ether or acetals
+ 2.0 18 oe 15.999400 O 2 sp3 oxygen in ester
+ 2.0 18 o3e 15.999400 O 2 sp3 oxygen in three membered ring
+ 2.0 18 o4e 15.999400 O 2 sp3 oxygen in four membered ring
+ 1.0 1 s 32.064000 S 2 Sulfur in methionine (C-S-C) group
+ 1.0 1 s1 32.064000 S 2 Sulfur involved in S-S disulfide bond
+ 1.0 1 sh 32.064000 S 2 Sulfur in sulfhydryl (-SH) group
+ 1.3 6 sp 32.064000 S 2 Sulfur in thiophene
+ 1.3 7 s' 32.064000 S 2 Sulfur in thioketone (>C=S) group
+ 1.0 1 s$ 32.064000 S 2 Sulfur atom for automatic parameter assignment
+ 2.0 18 sc 32.064000 S 2 sp3 sulfur in methionines (C-S-C) group
+ 2.0 18 s3e 32.06400 S 2 Sulfur in three membered ring
+ 2.0 18 s4e 32.06400 S 2 Sulfur in four membered ring
+ 2.0 18 s- 32.064000 S 1 Sulfur bonded to something then bonded to another partial double O or S
+ 1.0 1 p 30.973800 P 4 General phosphorous atom
+ 1.0 1 p$ 30.973800 P 4 Phosphorous atom for automatic parameter assignment
+ 2.0 18 ca+ 40.079800 Ca 0 Calcium ion - Ca++, mass = mass of Ca - 2*electron mass.
+ 1.0 1 f 18.998400 F 1 Fluorine bonded to a carbon
+ 1.0 1 cl 35.453000 Cl 1 Chlorine bonded to a carbon
+ 1.0 1 br 79.909000 Br 1 Bromine bonded to a carbon
+ 1.3 4 i 126.9045 I 1 Covalently bound Iodine
+ 1.0 1 si 28.086000 Si 4 Silicon atom (General)
+ 1.0 1 nu 12.000000 H 0 NULL atom for relative free energy
+ 1.0 1 Cl 35.453000 Cl 1 Chloride ion Cl-
+ 1.0 1 Br 79.904000 Br 1 Bromide ion Br-
+ 1.0 1 Na 22.989800 Na 1 Sodium ion
+ 1.3 9 ar 39.948 Ar 0 Argon
+ 3.1 23 sz 28.086000 Si 1 Silicon atom in zeolites
+ 3.2 24 sy 28.086000 Si 1 Tetrahedral Silicon atom in Clays
+ 3.1 23 oz 15.999400 O 1 Oxygen atom in zeolites
+ 3.2 24 oy 15.999400 O 1 Oxygen atom in Clays
+ 3.1 23 az 26.981539 Al 1 Tetrahedral Aluminum atom in zeolites
+ 3.2 24 ay 26.981539 Al 1 Octahedral Aluminum atom in Clays
+ 3.2 34 ayt 26.981539 Al 1 Tetrahedral Aluminum atom to be used with oy
+ 3.1 23 pz 30.973800 P 1 Phosphorous atom in zeolites
+ 3.1 34 py 30.973800 P 1 Phosphorous atom to be used with oy
+ 3.1 23 ga 69.723000 Ga 1 Gallium atom in zeolites
+ 3.1 23 ge 72.610000 Ge 1 Germanium atom in zeolites
+ 3.1 23 tioc 47.880000 Ti 1 Titanium (Octahedral) in zeolites
+ 3.1 35 ti4c 47.880000 Ti 1 Titanium (Octahedral) to be used with oy
+ 3.1 23 titd 47.880000 Ti 1 Titanium (Tetrahedral) in zeolites
+ 3.1 23 li+ 6.941000 Li 1 Lithium ion in zeolites
+ 3.3 25 lic+ 6.941000 Li 1 Lithium ion to be used with oy in Clays
+ 3.4 30 lioh 6.941000 Li 1 Lithium ion in water to be used with o*
+ 3.1 23 na+ 22.989800 Na 1 Sodium ion in zeolites
+ 3.2 24 nac+ 22.989800 Na 1 Sodium ion in Clays
+ 3.4 30 naoh 22.989800 Na 1 Sodium ion in water to be used with o*
+ 3.1 23 k+ 39.098300 K 1 Potassium ion in zeolites
+ 3.4 30 koh 39.098300 K 1 Potassium ion in water to be used with o*
+ 3.1 23 rb+ 85.467800 Rb 1 Rubidium ion in zeolites
+ 3.1 23 cs+ 132.905430 Cs 1 Cesium ion in zeolites
+ 3.1 36 nh4+ 14.006740 N 1 United atom type for ammonium ion to be used with oy
+ 3.1 23 mg2+ 24.305000 Mg 1 Magnesium ion in zeolites
+ 3.2 24 mg2c 24.305000 Mg 1 Octahedral Magnesium ion in Clays
+ 3.3 25 mn4c 54.938050 Mn 1 Manganese (IV) ion to be used with oy in Clays
+ 3.3 25 mn3c 54.938050 Mn 1 Manganese (III) ion to be used with oy in Clays
+ 3.3 25 co2c 58.933200 Co 1 Cobalt (II) ion to be used with oy in Clays
+ 3.3 25 ni2c 58.690000 Ni 1 Nickel (II) ion to be used with oy in Clays
+ 3.1 23 ca2+ 40.078000 Ca 1 Calcium ion in zeolites
+ 3.1 35 ca2c 40.078000 Ca 1 Calcium ion to be used with oy in Clays
+ 3.1 35 sr2c 87.620000 Sr 1 Strontium ion to be used with oy in Clays
+ 3.1 23 ba2+ 137.327000 Ba 1 Barium ion in zeolites
+ 3.1 23 cu2+ 63.546000 Cu 1 Copper(II) ion in zeolites
+ 3.2 24 fe2c 55.847000 Fe 1 Octahedral Fe(II) ion in clays
+ 3.1 26 f- 18.998403 F 1 Fluoride ion in zeolites
+ 3.4 33 beoh 9.012182 Be 4 Beryllium (II) in water to be used with o*
+ 3.4 30 foh 18.998400 F 1 Fluoride ion in water to be used with o*
+ 3.1 23 cl- 35.452700 Cl 1 Chloride ion in zeolites
+ 3.4 30 cloh 35.452700 Cl 1 Chloride ion in water to be used with o*
+ 3.4 36 cly- 35.452700 Cl 1 Chloride ion to be used with oy in Clays
+ 3.1 23 br- 79.904000 Br 1 Bromide ion in zeolites
+ 3.1 23 i- 126.904470 I 1 Iodide ion in zeolites
+ 3.1 23 so4 32.066000 S 1 Sulfur in sulphate ion to be used with oz
+ 3.1 36 so4y 32.066000 S 1 Sulfur in sulphate ion to be used with oy in Clays
+ 3.2 24 hocl 1.008000 H 1 Hydrogen in hydroxyl group in Clays
+ 3.2 27 pd2+ 106.4200 Pd 4 Palladium(II)
+ 3.2 34 vy 50.941500 V 4 Tetrahedral Vanadium to be used with oy
+ 2.1 26 al 26.982000 Al 0 Aluminium metal
+ 2.1 26 Na 22.990000 Na 0 Sodium metal
+ 2.1 26 Pt 195.090000 Pt 0 Platinum metal
+ 2.1 26 Pd 106.400000 Pd 0 Palladium metal
+ 2.1 26 Au 196.967000 Au 0 Gold metal
+ 2.1 26 Ag 107.868000 Ag 0 Silver metal
+ 2.1 26 Sn 118.690000 Sn 0 Tin metal
+ 2.1 26 K 39.102000 K 0 Potassium metal
+ 2.1 26 Li 6.940000 Li 0 Lithium metal
+ 2.1 26 Mo 95.940000 Mo 0 Molybdenum metal
+ 2.1 26 Fe 55.847000 Fe 0 Iron metal
+ 2.1 26 W 183.850000 W 0 Tungsten metal
+ 2.1 26 Ni 58.710000 Ni 0 Nickel metal
+ 2.1 26 Cr 51.996000 Cr 0 Chromium metal
+ 2.1 26 Cu 63.546000 Cu 0 Copper metal
+ 2.1 26 Pb 207.200000 Pb 0 Lead metal
+
+
+
+#equivalence cvff
+
+> Equivalence table for any variant of cvff
+
+! Equivalences
+! -----------------------------------------
+!Ver Ref Type NonB Bond Angle Torsion OOP
+!---- --- ---- ---- ---- ----- ------- ----
+ 1.0 1 h h h h h h
+ 1.0 1 d h h h h h
+ 1.0 1 hp h h h h h
+ 2.0 18 hc h h h h h
+ 1.0 1 hs h hs hs hs hs
+ 1.0 1 hn hn hn hn hn hn
+ 1.0 1 ho hn ho ho ho ho
+ 2.0 18 hi hn hn hn hn hn
+ 2.0 18 h+ hn hn hn hn hn
+ 1.0 1 h* h* h* h* h* h*
+ 2.0 18 hw h* h* h* h* h*
+ 2.0 18 dw h* h* h* h* h*
+ 1.0 1 h$ h$ h$ h$ h$ h$
+ 1.0 1 lp h lp h h h
+ 1.0 1 c c c c c c
+ 2.0 18 co c c c c c
+ 2.0 18 c3m c c c c c
+ 2.0 18 c4m c c c c c
+ 2.0 18 coh cg c c c c
+ 2.0 18 c3h cg c c c c
+ 2.0 18 c4h cg c c c c
+ 1.0 1 cg cg c c c c
+ 1.0 1 ca cg c c c c
+ 1.0 1 cn cg c c c c
+ 1.0 1 c3 cg c c c c
+ 1.0 1 c2 cg c c c c
+ 1.0 1 c1 cg c c c c
+ 1.0 1 c' c' c' c' c' c'
+ 2.0 18 c" c' c' c' c' c'
+ 2.0 21 c* c' c' c' c' c'
+ 1.0 1 cp c' cp cp cp cp
+ 1.0 1 c5 c' c5 c5 cp cp
+ 1.3 6 cs c' cs cs cs cs
+ 1.0 1 cr c' cr c' cr c'
+ 2.0 18 c+ c' cr c' cr c'
+ 1.0 1 c- c' c' c' c' c'
+ 1.0 1 c= c' c= c= c= c=
+ 2.0 19 c=1 c' c=1 c= c=1 c=
+ 2.0 19 c=2 c' c=2 c= c=2 c=
+ 1.0 1 ct c' ct ct ct ct
+ 1.0 1 ci c' ci c5 cp cp
+ 1.0 1 c$ c$ c$ c$ c$ c$
+ 1.0 1 n n n n n n
+ 3.0 22 no n no no no no
+ 2.0 18 n3n n n n n n
+ 2.0 18 n4n n n n n n
+ 1.0 1 n2 n n2 n n2 n2
+ 1.0 1 n3 n n3 n3 n3 n3
+ 2.0 18 na n n3 n3 n3 n3
+ 2.0 18 n3m n n3 n3 n3 n3
+ 2.0 18 n4m n n3 n3 n3 n3
+ 1.0 1 n4 n n4 n3 n3 n3
+ 2.0 18 n+ n n4 n3 n3 n3
+ 2.0 18 nn n n3 n3 n3 n3
+ 2.0 18 nb n n3 n3 n3 n3
+ 1.0 1 np n np np np np
+ 1.0 1 n= n n= np np np
+ 2.0 19 n=1 n n=1 np np np
+ 2.0 19 n=2 n n=2 np np np
+ 1.0 1 nt n nt nt nt nt
+ 1.3 4 nz n nz nz nz nz
+ 1.0 1 n1 n n1 n n n
+ 1.0 1 ni n ni np np np
+ 2.0 18 nh n np np np np
+ 2.0 18 npc n np np np np
+ 2.0 18 nho n np np np np
+ 2.0 18 nh+ n nh+ np np np
+ 2.0 18 nr n n2 n2 n2 n2
+ 1.0 1 n$ n$ n$ n$ n$ n$
+ 1.0 1 o' o' o' o' o' o'
+ 1.0 1 o o' o o o o'
+ 1.0 1 o- o' o- o- o' o'
+ 1.0 1 oh o' oh o o o'
+ 1.0 1 o* o* o* o* o* o*
+ 1.3 8 op o' op op op op
+ 1.0 1 of o' oh o of o'
+ 1.0 1 o$ o$ o$ o$ o$ o$
+ 2.0 18 oc o' o o o o'
+ 2.0 18 oe o' o o o o'
+ 2.0 18 o3e o' o o o o'
+ 2.0 18 o4e o' o o o o'
+ 1.0 1 s s s s s s
+ 1.0 1 s1 s s s s s
+ 1.0 1 sh s sh sh sh sh
+ 1.3 7 s' s' s' s' s' s'
+ 1.3 6 sp s' sp sp sp sp
+ 1.0 1 s$ s$ s$ s$ s$ s$
+ 2.0 18 sc s s s s s
+ 2.0 18 s3e s s s s s
+ 2.0 18 s4e s s s s s
+ 1.0 1 p p p p p p
+ 1.0 1 p$ p$ p$ p$ p$ p$
+ 1.0 1 ca+ ca+ ca+ ca+ ca+ ca+
+ 1.0 1 f f f f f f
+ 1.3 4 i i i i i i
+ 1.0 1 cl cl cl cl cl cl
+ 1.0 1 br br br br br br
+ 1.0 1 si si si si si si
+ 1.0 1 nu nu nu nu nu nu
+ 1.0 1 Cl Cl Cl Cl Cl Cl
+ 1.0 1 Br Br Br Br Br Br
+ 1.0 1 Na Na Na Na Na Na
+ 1.3 9 ar ar ar ar ar ar
+ 3.1 23 sz sz sz sz sz sz
+ 3.2 24 sy sy sy sy sy sy
+ 3.1 23 oz oz oz oz oz oz
+ 3.2 24 oy oy oy oy oy oy
+ 3.1 23 az az az az az az
+ 3.2 24 ay ay ay ay ay ay
+ 3.1 23 pz pz pz pz pz pz
+ 3.1 23 ga ga ga ga ga ga
+ 3.1 23 ge ge ge ge ge ge
+ 3.1 23 tioc tioc tioc tioc tioc tioc
+ 3.1 23 titd titd titd titd titd titd
+ 3.1 23 li+ li+ li+ li+ li+ li+
+ 3.1 23 na+ na+ na+ na+ na+ na+
+ 3.2 24 nac+ nac+ nac+ nac+ nac+ nac+
+ 3.1 23 k+ k+ k+ k+ k+ k+
+ 3.1 23 rb+ rb+ rb+ rb+ rb+ rb+
+ 3.1 23 cs+ cs+ cs+ cs+ cs+ cs+
+ 3.1 23 mg2+ mg2+ mg2+ mg2+ mg2+ mg2+
+ 3.2 24 mg2c mg2c mg2c mg2c mg2c mg2c
+ 3.3 25 mn4c mn4c mn4c mn4c mn4c mn4c
+ 3.3 25 mn3c mn3c mn3c mn3c mn3c mn3c
+ 3.3 25 co2c co2c co2c co2c co2c co2c
+ 3.3 25 ni2c ni2c ni2c ni2c ni2c ni2c
+ 3.3 25 lic+ lic+ lic+ lic+ lic+ lic+
+ 3.1 23 ca2+ ca2+ ca2+ ca2+ ca2+ ca2+
+ 3.1 23 ba2+ ba2+ ba2+ ba2+ ba2+ ba2+
+ 3.1 23 cu2+ cu2+ cu2+ cu2+ cu2+ cu2+
+ 3.2 24 fe2c fe2c fe2c fe2c fe2c fe2c
+ 3.1 26 f- f- f- f- f- f-
+ 3.1 23 cl- cl- cl- cl- cl- cl-
+ 3.1 23 br- br- br- br- br- br-
+ 3.1 23 i- i- i- i- i- i-
+ 3.1 23 so4 so4 so4 so4 so4 so4
+ 3.1 34 ayt ayt ayt ayt ayt ayt
+ 3.1 34 py py py py py py
+ 3.1 34 vy vy vy vy vy vy
+ 3.1 35 ti4c ti4c ti4c ti4c ti4c ti4c
+ 3.1 35 ca2c ca2c ca2c ca2c ca2c ca2c
+ 3.1 36 cly- cly- cly- cly- cly- cly-
+ 3.1 36 nh4+ nh4+ nh4+ nh4+ nh4+ nh4+
+ 3.1 36 so4y so4y so4y so4y so4y so4y
+ 3.1 35 sr2c sr2c sr2c sr2c sr2c sr2c
+ 3.2 24 hocl hocl hocl hocl hocl hocl
+ 3.2 27 pd2+ pd2+ pd2+ pd2+ pd2+ pd2+
+ 3.4 30 lioh lioh lioh lioh lioh lioh
+ 3.4 30 naoh naoh naoh naoh naoh naoh
+ 3.4 30 koh koh koh koh koh koh
+ 3.4 30 foh foh foh foh foh foh
+ 3.4 30 cloh cloh cloh cloh cloh cloh
+ 3.4 33 beoh beoh beoh beoh beoh beoh
+ 2.1 26 al si al si si si
+ 2.1 26 Pt Pt Br c c c
+ 2.1 26 Pd Pd Br c c c
+ 2.1 26 Au Au Br c c c
+ 2.1 26 Ag Ag Br c c c
+ 2.1 26 Sn Na Br c c c
+ 2.1 26 K Pb Br c c c
+ 2.1 26 Li Li Br c c c
+ 2.1 26 Mo Mo Br c c c
+ 2.1 26 Fe Fe Br c c c
+ 2.1 26 W W Br c c c
+ 2.1 26 Ni Ni Br c c c
+ 2.1 26 Cr Cr Br c c c
+ 2.1 26 Cu Cu Br c c c
+ 2.1 26 Pb Pb Br c c c
+
+
+
+#auto_equivalence cvff_auto
+
+! Equivalences
+! -----------------------------------------
+!Ver Ref Type NonB Bond Bond Angle Angle Torsion Torsion OOP OOP
+! Inct End atom Apex atom End Atoms Center Atoms End Atom Center Atom
+!---- --- ---- ---- ------ ---- ---------- --------- --------- ----------- -------- -----------
+ 2.0 18 h h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 d h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hc h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hp h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hs h hs h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hn hn hn h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hi hn hn h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 h+ hn hn h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 ho hn ho h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 h* h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 hw h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 dw h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 lp h lp h_ h_ h_ h_ h_ h_ h_
+ 2.0 18 c c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 co c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 c3m c c c3m_ c3m_ c3m_ c_ c_ c_ c_
+ 2.0 18 c4m c c c4m_ c4m_ c4m_ c_ c_ c_ c_
+ 2.0 18 coh cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 c3h cg c c3m_ c3m_ c3m_ c_ c_ c_ c_
+ 2.0 18 c4h cg c c4m_ c4m_ c4m_ c_ c_ c_ c_
+ 2.0 18 cg cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 ca cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 cn cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 c3 cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 c2 cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 c1 cg c c_ c_ c_ c_ c_ c_ c_
+ 2.0 18 ci c' ci ci_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 21 c* c' c' c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 18 c" c' c' c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 18 c' c' c' c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 18 cp c' cp cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 18 c5 c' c5 cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 18 cs c' cs cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 18 cr c' cr cr_ c_ c'_ c_ c=_3 c_ c'_
+ 2.0 18 c+ c' cr cr_ c_ c'_ c_ c+_ c_ c'_
+ 2.0 18 c- c' c' c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 18 c= c' c= c=_3 c_ c=_ c_ c=_3 c_ c=_
+ 2.0 19 c=1 c' c= c=_1 c_ c=_ c_ c=_1 c_ c=_
+ 2.0 19 c=2 c' c= c=_2 c_ c=_ c_ c=_2 c_ c=_
+ 2.0 18 ct c' ct ct_ c_ ct_ c_ ct_ c_ ct_
+ 2.0 18 na n n3 na_ n_ na_ n_ na_ n_ na_
+ 2.0 18 n3 n n3 na_ n_ na_ n_ na_ n_ na_
+ 2.0 18 n3m n n3 n3m_ n3m_ n3m_ n_ na_ n_ na_
+ 2.0 18 n4m n n3 n4m_ n4m_ n4m_ n_ na_ n_ na_
+ 2.0 18 np n np np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 npc n np np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 nh n np np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 nho n np np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 nh+ n nh+ np_ n_ np_ n_ np_ n_ np_
+ 2.0 18 ni n ni ni_ n_ np_ n_ np_ n_ np_
+ 2.0 18 nn n n3 na_ n_ n_ n_ n_ n_ n_
+ 2.0 18 nb n n3 np_ n_ n_ n_ n_ n_ n_
+ 2.0 18 n+ n n4 n+_ n_ na_ n_ na_ n_ na_
+ 2.0 18 n4 n n4 n+_ n_ na_ n_ na_ n_ na_
+ 2.0 18 n n n n_ n_ n_ n_ n_ n_ n_
+ 3.0 22 no n n n_ n_ n_ n_ n_ n_ n_
+ 2.0 18 n3n n n n3m_ n3m_ n3m_ n_ n3n_ n_ n_
+ 2.0 18 n4n n n n4m_ n4m_ n4m_ n_ n_ n_ n_
+ 2.0 18 nr n n2 n_ n_ n_ n_ n_ n_ n_
+ 2.0 18 n2 n n2 n_ n_ n_ n_ n_ n_ n_
+ 2.0 18 n1 n n1 n_ n_ n_ n_ n_ n_ n_
+ 2.0 18 n= n n= n=_3 n_ n_ n_ n=_3 n_ n=_
+ 2.0 19 n=1 n n= n=_1 n_ n_ n_ n=_1 n_ n=_
+ 2.0 19 n=2 n n= n=_2 n_ n_ n_ n=_2 n_ n=_
+ 2.0 18 nt n nt nt_ n_ nt_ n_ nt_ n_ nt_
+ 2.0 18 nz n nz nz_ n_ nz_ n_ nz_ n_ nz_
+ 2.0 18 o o' o o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 o* o* o* o_ o_ o*_ o_ o_ o_ o_
+ 2.0 18 oh o' oh o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 oc o' o o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 oe o' o o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 o3e o' o o3e_ o3e_ o3e_ o_ o_ o_ o_
+ 2.0 18 o4e o' o o4e_ o4e_ o4e_ o_ o_ o_ o_
+ 2.0 18 op o' op op_ o_ op_ o_ o_ o_ op_
+ 2.0 18 o' o' o' o'_ o'_ o_ o_ o_ o_ o_
+ 2.0 18 of o' oh o_ o_ o_ o_ o_ o_ o_
+ 2.0 18 o- o' o- o-_ o'_ o_ o_ o_ o_ o_
+ 2.0 18 s s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 18 s' s' s' s'_ s'_ s_ s_ s_ s_ s_
+ 2.0 18 s- s' s- s-_ s'_ s_ s_ s_ s_ s_
+ 2.0 18 sc s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 18 s3e s s s3e_ s3e_ s3e_ s_ s_ s_ s_
+ 2.0 18 s4e s s s4e_ s4e_ s4e_ s_ s_ s_ s_
+ 2.0 18 s1 s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 18 sh s sh s_ s_ s_ s_ s_ s_ s_
+ 2.0 18 sp s' sp sp_ s_ sp_ s_ sp_ s_ sp_
+ 2.0 18 p p p p_ p_ p_ p_ p_ p_ p_
+ 2.0 18 ca+ ca+ ca+ ca+_ ca+_ ca+_ ca+_ ca+_ ca+_ ca+_
+ 2.0 18 f f f f_ f_ f_ f_ f_ f_ f_
+ 2.0 18 i i i i_ f_ i_ i_ i_ i_ i_
+ 2.0 18 cl cl cl cl_ f_ cl_ c_ cl_ cl_ cl_
+ 2.0 18 br br br br_ f_ br_ br_ br_ br_ br_
+ 2.0 18 si si si si_ si_ si_ si_ si_ si_ si_
+ 2.0 18 nu nu nu nu_ nu_ nu_ nu_ nu_ nu_ nu_
+ 2.0 18 Cl Cl Cl Cl_ Cl_ Cl_ Cl_ Cl_ Cl_ Cl_
+ 2.0 18 Br Br Br Br_ Br_ Br_ Br_ Br_ Br_ Br_
+ 2.0 18 Na Na Na Na_ Na_ Na_ Na_ Na_ Na_ Na_
+ 2.0 18 ar ar ar ar_ ar_ ar_ ar_ ar_ ar_ ar_
+ 3.1 23 sz sz sz sz_ sz_ sz_ sz_ sz_ sz_ sz_
+ 3.2 24 sy sy sy sy_ sy_ sy_ sy_ sy_ sy_ sy_
+ 3.2 34 py py py py_ py_ py_ py_ py_ py_ py_
+ 3.2 34 vy vy vy vy_ vy_ vy_ vy_ vy_ vy_ vy_
+ 3.2 35 ti4c ti4c ti4c ti4c_ ti4c_ ti4c_ ti4c_ ti4c_ ti4c_ ti4c_
+ 3.2 35 ca2c ca2c ca2c ca2c_ ca2c_ ca2c_ ca2c_ ca2c_ ca2c_ ca2c_
+ 3.2 36 cly- cly- cly- cly-_ cly-_ cly-_ cly-_ cly-_ cly-_ cly-_
+ 3.2 36 so4y so4y so4y so4y_ so4y_ so4y_ so4y_ so4y_ so4y_ so4y_
+ 3.2 36 nh4+ nh4+ nh4+ nh4+_ nh4+_ nh4+_ nh4+_ nh4+_ nh4+_ nh4+_
+ 3.2 35 sr2c sr2c sr2c sr2c_ sr2c_ sr2c_ sr2c_ sr2c_ sr2c_ sr2c_
+ 3.2 34 ayt ayt ayt ayt_ ayt_ ayt_ ayt_ ayt_ ayt_ ayt_
+ 3.1 23 oz oz oz oz_ oz_ oz_ oz_ oz_ oz_ oz_
+ 3.2 24 oy oy oy oy_ oy_ oy_ oy_ oy_ oy_ oy_
+ 3.1 23 az az az az_ az_ az_ az_ az_ az_ az_
+ 3.2 24 ay ay ay ay_ ay_ ay_ ay_ ay_ ay_ ay_
+ 3.1 23 pz pz pz pz_ pz_ pz_ pz_ pz_ pz_ pz_
+ 3.1 23 ga ga ga ga_ ga_ ga_ ga_ ga_ ga_ ga_
+ 3.1 23 ge ge ge ge_ ge_ ge_ ge_ ge_ ge_ ge_
+ 3.1 23 tioc tioc tioc tioc_ tioc_ tioc_ tioc_ tioc_ tioc_ tioc_
+ 3.1 23 titd titd titd titd_ titd_ titd_ titd_ titd_ titd_ titd_
+ 3.1 23 li+ li+ li+ li+_ li+_ li+_ li+_ li+_ li+_ li+_
+ 3.1 23 na+ na+ na+ na+_ na+_ na+_ na+_ na+_ na+_ na+_
+ 3.2 24 nac+ nac+ nac+ nac+_ nac+_ nac+_ nac+_ nac+_ nac+_ nac+_
+ 3.1 23 k+ k+ k+ k+_ k+_ k+_ k+_ k+_ k+_ k+_
+ 3.1 23 rb+ rb+ rb+ rb+_ rb+_ rb+_ rb+_ rb+_ rb+_ rb+_
+ 3.1 23 cs+ cs+ cs+ cs+_ cs+_ cs+_ cs+_ cs+_ cs+_ cs+_
+ 3.1 23 mg2+ mg2+ mg2+ mg2+_ mg2+_ mg2+_ mg2+_ mg2+_ mg2+_ mg2+_
+ 3.2 24 mg2c mg2c mg2c mg2c_ mg2c_ mg2c_ mg2c_ mg2c_ mg2c_ mg2c_
+ 3.3 25 mn4c mn4c mn4c mn4c_ mn4c_ mn4c_ mn4c_ mn4c_ mn4c_ mn4c_
+ 3.3 25 mn3c mn3c mn3c mn3c_ mn3c_ mn3c_ mn3c_ mn3c_ mn3c_ mn3c_
+ 3.3 25 co2c co2c co2c co2c_ co2c_ co2c_ co2c_ co2c_ co2c_ co2c_
+ 3.3 25 ni2c ni2c ni2c ni2c_ ni2c_ ni2c_ ni2c_ ni2c_ ni2c_ ni2c_
+ 3.3 25 lic+ lic+ lic+ lic+_ lic+_ lic+_ lic+_ lic+_ lic+_ lic+_
+ 3.1 23 ca2+ ca2+ ca2+ ca2+_ ca2+_ ca2+_ ca2+_ ca2+_ ca2+_ ca2+_
+ 3.1 23 ba2+ ba2+ ba2+ ba2+_ ba2+_ ba2+_ ba2+_ ba2+_ ba2+_ ba2+_
+ 3.1 23 cu2+ cu2+ cu2+ cu2+_ cu2+_ cu2+_ cu2+_ cu2+_ cu2+_ cu2+_
+ 3.2 24 fe2c fe2c fe2c fe2c_ fe2c_ fe2c_ fe2c_ fe2c_ fe2c_ fe2c_
+ 3.1 26 f- f- f- f-_ f-_ f-_ f-_ f-_ f-_ f-_
+ 3.1 23 cl- cl- cl- cl-_ cl-_ cl-_ cl-_ cl-_ cl-_ cl-_
+ 3.1 23 br- br- br- br-_ br-_ br-_ br-_ br-_ br-_ br-_
+ 3.1 23 i- i- i- i-_ i-_ i-_ i-_ i-_ i-_ i-_
+ 3.1 23 so4 so4 so4 so4_ so4_ so4_ so4_ so4_ so4_ so4_
+ 3.2 24 hocl hocl hocl hocl_ hocl_ hocl_ hocl_ hocl_ hocl_ hocl_
+ 3.2 27 pd2+ pd2+ pd2+ pd2+_ pd2+_ pd2+_ pd2+_ pd2+_ pd2+_ pd2+_
+ 3.4 30 lioh lioh lioh lioh_ lioh_ lioh_ lioh_ lioh_ lioh_ lioh_
+ 3.4 30 naoh naoh naoh naoh_ naoh_ naoh_ naoh_ naoh_ naoh_ naoh_
+ 3.4 30 koh koh koh koh_ koh_ koh_ koh_ koh_ koh_ koh_
+ 3.4 30 foh foh foh foh_ foh_ foh_ foh_ foh_ foh_ foh_
+ 3.4 30 cloh cloh cloh cloh_ cloh_ cloh_ cloh_ cloh_ cloh_ cloh_
+ 3.4 33 beoh beoh beoh beoh_ beoh_ beoh_ beoh_ beoh_ beoh_ beoh_
+ 2.1 26 al si si al_ si_ si_ si_ si_ si_ si_
+ 2.1 27 Pb Pb Pb c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Pt Pt Pt c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Pd Pd Pd c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Au Au Au c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Ag Ag Ag c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Sn Sn Sn c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Li Li Li c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Mo Mo Mo c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Fe Fe Fe c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 W W W c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Ni Ni Ni c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Cr Cr Cr c_ c_ c_ c_ c_ c_ c_
+ 2.1 27 Cu Cu Cu c_ c_ c_ c_ c_ c_ c_
+
+
+
+
+#hbond_definition cvff
+
+ 1.0 1 distance 2.5000
+ 1.0 1 angle 90.0000
+ 1.0 1 donors hn h*
+ 1.0 1 acceptors o' o o*
+
+#morse_bond cvff
+
+> E = D * (1 - exp(-ALPHA*(R - R0)))^2
+
+!Ver Ref I J R0 D ALPHA
+!---- --- ---- ---- ------- -------- -------
+ 3.0 22 no o- 1.2178 140.2486 2.0000
+ 3.0 22 no cp 1.4720 87.8132 2.0000
+ 3.0 22 c' cp 1.4720 87.8132 2.0000
+ 1.0 1 c o 1.4250 68.3000 2.0000
+ 1.0 1 c h 1.1050 108.6000 1.7710
+ 1.0 1 c c 1.5260 88.0000 1.9150
+ 1.0 1 c c' 1.5200 76.0000 1.9300
+ 1.0 1 c' o' 1.2300 145.0000 2.0600
+ 1.0 1 n hn 1.0260 93.0000 2.2800
+ 1.0 1 n lp 1.0260 93.0000 2.2800
+ 1.0 1 n c' 1.3200 97.0000 2.0000
+ 1.0 1 n cr 1.3200 97.0000 2.0000
+ 1.0 1 c n 1.4600 72.0000 2.2900
+ 1.0 1 n1 cr 1.3200 97.0000 2.0000
+ 1.0 1 n1 hn 1.0260 93.0000 2.2800
+ 1.0 1 n1 lp 1.0260 93.0000 2.2800
+ 1.0 1 c n1 1.4600 72.0000 2.2900
+ 1.0 1 oh ho 0.9600 104.0000 2.2800
+ 1.0 1 oh lp 0.9600 104.0000 2.2800
+ 1.0 1 oh c 1.4200 96.0000 2.0000
+ 1.0 1 o ho 0.9600 95.0000 2.2800
+ 1.0 1 o lp 0.9600 95.0000 2.2800
+ 1.0 1 c' h 1.1050 108.6000 1.7710
+ 1.0 1 c' o 1.3700 100.0000 2.0000
+ 1.0 1 c' oh 1.3700 100.0000 2.0000
+ 1.0 1 c' o- 1.2500 135.0000 2.0000
+ 1.0 1 cp h 1.0800 116.0000 1.7700
+ 1.0 1 cp cp 1.3400 120.0000 2.0000
+ 1.0 1 cp c 1.5100 76.0000 1.9300
+ 1.0 1 cp oh 1.3700 96.0000 2.0000
+ 1.0 1 sh hs 1.3300 87.5000 1.7700
+ 1.0 1 sh lp 1.3300 87.5000 1.7700
+ 1.0 1 c sh 1.8200 57.0000 2.0000
+ 1.0 1 c s 1.8000 57.0000 2.0000
+ 1.0 1 c s1 1.8000 57.0000 2.0000
+ 1.0 1 s s 2.0000 45.0000 2.0000
+ 1.0 1 s1 s1 2.0000 45.0000 2.0000
+ 1.0 1 n2 hn 1.0260 88.0000 2.2800
+ 1.0 1 n2 lp 1.0260 88.0000 2.2800
+ 1.0 1 c n2 1.4700 68.0000 2.2900
+ 1.0 1 n2 c' 1.3200 97.0000 2.0000
+ 1.0 1 n2 cr 1.3200 97.0000 2.0000
+ 1.0 1 n2 cp 1.3200 97.0000 2.0000
+ 1.0 1 n3 hn 1.0260 88.0000 2.2800
+ 1.0 1 n3 lp 1.0260 88.0000 2.2800
+ 1.0 1 c n3 1.4700 68.0000 2.2900
+ 1.0 1 n4 hn 1.0260 88.0000 2.2800
+ 1.0 1 n4 lp 1.0260 88.0000 2.2800
+ 1.0 1 c n4 1.4700 68.0000 2.2900
+ 1.0 1 cp np 1.2600 140.0000 2.0000
+ 1.0 1 np hn 1.0260 93.0000 2.2800
+ 1.0 1 np lp 1.0260 93.0000 2.2800
+ 1.0 1 cp c5 1.3400 70.0000 2.0000
+ 1.0 1 c5 h 1.0800 116.0000 1.7700
+ 1.0 1 c5 c5 1.3900 70.0000 2.0000
+ 1.0 1 c5 c 1.5100 76.0000 1.9300
+ 1.0 1 c5 np 1.3800 80.0000 2.0000
+ 1.2 3 c5 o 1.3700 105.0000 2.0000
+ 1.3 8 c5 op 1.3700 105.0000 2.0000
+ 1.2 3 c5 s 1.7300 57.0000 2.0000
+ 1.3 6 cs h 1.0800 121.0000 1.7700
+ 1.3 6 cs c5 1.3630 100.0000 2.0000
+ 1.3 6 sp cs 1.7106 80.0000 2.0000
+ 1.0 1 ci h 1.0800 116.0000 1.7700
+ 1.0 1 ci ci 1.3900 70.0000 2.0000
+ 1.0 1 ci c 1.5100 76.0000 1.9300
+ 1.0 1 ci ni 1.3800 80.0000 2.0000
+ 1.0 1 ni hn 1.0260 93.0000 2.2800
+ 1.0 1 ni lp 1.0260 93.0000 2.2800
+ 1.0 1 cp n 1.4200 70.0000 2.0000
+ 1.0 1 o* h* 0.9600 104.0000 2.2800
+ 3.4 33 o* beoh 1.5000 5.7319 1.0000
+ 1.0 1 o* lp 0.9600 104.0000 2.2800
+ 1.0 1 p oh 1.5700 75.0000 2.0000
+ 1.0 1 p o' 1.5300 140.0000 2.0000
+ 1.0 1 p o 1.6100 61.3000 2.0000
+ 1.0 1 p o- 1.5300 120.0000 2.0000
+ 1.0 1 p h 1.5000 56.0000 2.0000
+ 1.0 1 p lp 1.5000 56.0000 2.0000
+ 1.0 1 np c 1.4750 84.2000 2.0000
+ 1.0 1 n= c 1.4750 84.2000 2.0000
+ 2.0 19 n=1 c 1.4750 84.2000 2.0000
+ 2.0 19 n=2 c 1.4750 84.2000 2.0000
+ 1.0 1 c= n= 1.2600 140.0000 2.0000
+ 2.0 19 c= n=1 1.2600 140.0000 2.0000
+ 2.0 19 c=1 n= 1.2600 140.0000 2.0000
+ 1.0 1 cr n= 1.2600 140.0000 2.0000
+ 2.0 19 cr n=1 1.2600 140.0000 2.0000
+ 2.0 19 cr n=2 1.2600 140.0000 2.0000
+ 1.0 1 c= c' 1.5000 80.7000 2.0000
+ 2.0 19 c=1 c' 1.5000 80.7000 2.0000
+ 2.0 19 c=2 c' 1.5000 80.7000 2.0000
+ 1.0 1 c= c 1.5000 80.7000 2.0000
+ 2.0 19 c=1 c 1.5000 80.7000 2.0000
+ 2.0 19 c=2 c 1.5000 80.7000 2.0000
+ 1.0 1 c= c= 1.3300 163.8000 2.0000
+ 2.0 19 c= c=1 1.3300 163.8000 2.0000
+ 1.0 1 c= h 1.0900 90.4000 2.0000
+ 2.0 19 c=1 h 1.0900 90.4000 2.0000
+ 2.0 19 c=2 h 1.0900 90.4000 2.0000
+ 1.0 1 f c 1.3630 124.0000 2.0000
+ 1.0 1 f lp 1.3630 124.0000 2.0000
+ 1.0 1 cl c 1.7610 78.5000 2.0000
+ 1.0 1 cl lp 1.7610 78.5000 2.0000
+ 1.0 1 br c 1.9200 55.9000 2.0000
+ 1.0 1 br lp 1.9200 55.9000 2.0000
+ 1.0 1 f cp 1.3630 124.0000 2.0000
+ 1.0 1 cl cp 1.7610 78.5000 2.0000
+ 1.0 1 br cp 1.9200 55.9000 2.0000
+ 1.0 1 si c 1.8090 59.5000 2.0000
+ 1.0 1 si h 1.3820 55.6000 2.0000
+ 1.0 1 si o 1.6650 98.2000 2.0000
+ 1.3 4 h h 0.74611 104.207 1.9561
+ 1.3 4 d d 0.74164 106.010 1.9382
+ 1.3 4 f f 1.417 37.5 2.6284
+ 1.3 4 cl cl 1.988 58.066 2.0183
+ 1.3 4 br br 2.290 46.336 1.9469
+ 1.3 4 i i 2.662 36.46 1.8383
+ 1.3 4 o o 1.208 118.86 2.6484
+ 1.3 4 nz nz 1.09758 226.8 2.6829
+ 1.3 5 nt nt 1.09758 226.8 2.6829
+ 1.3 7 c' s' 1.6110 169.3000 1.7361
+
+#quadratic_bond cvff
+
+> E = K2 * (R - R0)^2
+
+!Ver Ref I J R0 K2
+!---- --- ---- ---- ------- --------
+ 3.1 23 mg2+ cl- 1.6200 000.0000
+ 3.1 23 sz oz 1.6200 000.0000
+ 3.2 24 sy oy 1.6200 000.0000
+ 3.2 34 py oy 1.6200 000.0000
+ 3.2 34 vy oy 1.6200 000.0000
+ 3.2 35 ti4c oy 1.6200 000.0000
+ 3.2 35 ca2c oy 1.6200 000.0000
+ 3.2 36 cly- oy 1.6200 000.0000
+ 3.2 36 nh4+ oy 1.6200 000.0000
+ 3.2 36 so4y oy 1.6200 000.0000
+ 3.2 35 sr2c oy 1.6200 000.0000
+ 3.2 34 ayt oy 1.6200 000.0000
+ 3.1 23 az oz 1.6200 000.0000
+ 3.2 24 ay oy 1.6200 000.0000
+ 3.1 23 pz oz 1.6200 000.0000
+ 3.1 23 ga oz 1.6200 000.0000
+ 3.1 23 ge oz 1.6200 000.0000
+ 3.1 23 tioc oz 1.6200 000.0000
+ 3.1 23 titd oz 1.6200 000.0000
+ 3.1 23 li+ oz 1.6200 000.0000
+ 3.1 23 na+ oz 1.6200 000.0000
+ 3.2 24 nac+ oy 1.6200 000.0000
+ 3.1 23 k+ oz 1.6200 000.0000
+ 3.1 23 rb+ oz 1.6200 000.0000
+ 3.1 23 cs+ oz 1.6200 000.0000
+ 3.1 23 mg2+ oz 1.6200 000.0000
+ 3.2 24 mg2c oy 1.6200 000.0000
+ 3.3 25 mn4c oy 1.6200 000.0000
+ 3.3 25 mn3c oy 1.6200 000.0000
+ 3.3 25 co2c oy 1.6200 000.0000
+ 3.3 25 ni2c oy 1.6200 000.0000
+ 3.3 25 lic+ oy 1.6200 000.0000
+ 3.1 23 ca2+ oz 1.6200 000.0000
+ 3.1 23 ba2+ oz 1.6200 000.0000
+ 3.1 23 cu2+ oz 1.6200 000.0000
+ 3.2 24 fe2c oy 1.6200 000.0000
+ 3.1 26 f- oz 1.6200 000.0000
+ 3.1 23 cl- oz 1.6200 000.0000
+ 3.1 23 br- oz 1.6200 000.0000
+ 3.1 23 i- oz 1.6200 000.0000
+ 3.1 23 so4 oz 1.6200 000.0000
+ 3.2 24 hocl oy 1.6200 000.0000
+ 3.2 27 pd2+ oy 1.6200 000.0000
+ 3.4 30 lioh o* 1.6200 000.0000
+ 3.4 30 naoh o* 1.6200 000.0000
+ 3.4 30 koh o* 1.6200 000.0000
+ 3.4 30 foh o* 1.6200 000.0000
+ 3.4 30 cloh o* 1.6200 000.0000
+ 3.4 33 beoh o* 1.6200 000.0000
+ 3.0 22 no o- 1.2178 560.9942
+ 3.0 22 no cp 1.4720 351.2527
+ 3.0 22 c' cp 1.4720 351.2527
+ 1.0 1 c o 1.4250 273.2000
+ 1.0 1 c h 1.1050 340.6175
+ 1.0 1 c c 1.5260 322.7158
+ 1.0 1 c c' 1.5200 283.0924
+ 1.0 1 c' o' 1.2300 615.3220
+ 1.0 1 n hn 1.0260 483.4512
+ 1.0 1 n lp 1.0260 483.4512
+ 1.0 1 n c' 1.3200 388.0000
+ 1.0 1 n cr 1.3200 388.0000
+ 1.0 1 c n 1.4600 377.5752
+ 1.0 1 n1 cr 1.3200 388.0000
+ 1.0 1 n1 hn 1.0260 483.4512
+ 1.0 1 n1 lp 1.0260 483.4512
+ 1.0 1 c n1 1.4600 377.5752
+ 1.0 1 oz ho 0.9600 540.6336
+ 1.0 1 oh ho 0.9600 540.6336
+ 1.0 1 oh lp 0.9600 540.6336
+ 1.0 1 oh c 1.4200 384.0000
+ 1.0 1 o ho 0.9600 493.8480
+ 1.0 1 o lp 0.9600 493.8480
+ 1.0 1 c' h 1.1050 340.6175
+ 1.0 1 c' o 1.3700 400.0000
+ 1.0 1 c' oh 1.3700 400.0000
+ 1.0 1 c' o- 1.2500 540.0000
+ 1.0 1 cp h 1.0800 363.4164
+ 1.0 1 cp cp 1.3400 480.0000
+ 1.0 1 cp c 1.5100 283.0924
+ 1.0 1 cp oh 1.3700 384.0000
+ 1.0 1 sh hs 1.3300 274.1288
+ 1.0 1 sh lp 1.3300 274.1288
+ 1.0 1 c sh 1.8200 228.0000
+ 1.0 1 c s 1.8000 228.0000
+ 1.0 1 c s1 1.8000 228.0000
+ 1.0 1 s s 2.0000 180.0000
+ 1.0 1 s1 s1 2.0000 180.0000
+ 1.0 1 n2 hn 1.0260 457.4592
+ 1.0 1 n2 lp 1.0260 457.4592
+ 1.0 1 c n2 1.4700 356.5988
+ 1.0 1 n2 c' 1.3200 388.0000
+ 1.0 1 n2 cr 1.3200 388.0000
+ 1.0 1 n2 cp 1.3200 388.0000
+ 1.0 1 n3 hn 1.0260 457.4592
+ 1.0 1 n3 lp 1.0260 457.4592
+ 1.0 1 c n3 1.4700 356.5988
+ 1.0 1 n4 hn 1.0260 457.4592
+ 1.0 1 n4 lp 1.0260 457.4592
+ 1.0 1 c n4 1.4700 356.5988
+ 1.0 1 cp np 1.2600 560.0000
+ 1.0 1 np hn 1.0260 483.4512
+ 1.0 1 np lp 1.0260 483.4512
+ 1.0 1 cp c5 1.3400 280.0000
+ 1.0 1 c5 h 1.0800 363.4164
+ 1.0 1 c5 c5 1.3900 280.0000
+ 1.0 1 c5 c 1.5100 283.0924
+ 1.0 1 c5 np 1.3800 320.0000
+ 1.2 3 c5 o 1.3700 420.0000
+ 1.3 8 c5 op 1.3700 420.0000
+ 1.2 3 c5 s 1.7300 228.0000
+ 1.3 6 cs h 1.0800 379.0809
+ 1.3 6 cs c5 1.3630 400.0000
+ 1.3 6 sp cs 1.7106 320.0000
+ 1.0 1 ci h 1.0800 363.4164
+ 1.0 1 ci ci 1.3900 280.0000
+ 1.0 1 ci c 1.5100 283.0924
+ 1.0 1 ci ni 1.3800 320.0000
+ 1.0 1 ni hn 1.0260 483.4512
+ 1.0 1 ni lp 1.0260 483.4512
+ 1.0 1 cp n 1.4200 280.0000
+ 1.0 1 o* h* 0.9600 540.6336
+ 1.0 1 o* lp 0.9600 540.6336
+ 1.0 1 p oh 1.5700 300.0000
+ 1.0 1 p o' 1.5300 560.0000
+ 1.0 1 p o 1.6100 245.2000
+ 1.0 1 p o- 1.5300 480.0000
+ 1.0 1 p h 1.5000 224.0000
+ 1.0 1 p lp 1.5000 224.0000
+ 1.0 1 np c 1.4750 336.8000
+ 1.0 1 n= c 1.4750 336.8000
+ 2.0 19 n=1 c 1.4750 336.8000
+ 2.0 19 n=2 c 1.4750 336.8000
+ 1.0 1 c= n= 1.2600 560.0000
+ 2.0 19 c= n=1 1.2600 560.0000
+ 2.0 19 c=1 n= 1.2600 560.0000
+ 1.0 1 cr n= 1.2600 560.0000
+ 2.0 19 cr n=1 1.2600 560.0000
+ 2.0 19 cr n=2 1.2600 560.0000
+ 1.0 1 c= c' 1.5000 322.8000
+ 2.0 19 c=1 c' 1.5000 322.8000
+ 2.0 19 c=2 c' 1.5000 322.8000
+ 1.0 1 c= c 1.5000 322.8000
+ 2.0 19 c=1 c 1.5000 322.8000
+ 2.0 19 c=2 c 1.5000 322.8000
+ 1.0 1 c= c= 1.3300 655.2000
+ 2.0 19 c=1 c= 1.3300 655.2000
+ 1.0 1 c= h 1.0900 361.6000
+ 2.0 19 c=1 h 1.0900 361.6000
+ 2.0 19 c=2 h 1.0900 361.6000
+ 1.0 1 f c 1.3630 496.0000
+ 1.0 1 f lp 1.3630 496.0000
+ 1.0 1 cl c 1.7610 314.0000
+ 1.0 1 cl lp 1.7610 314.0000
+ 1.0 1 br c 1.9200 223.6000
+ 1.0 1 br lp 1.9200 223.6000
+ 1.0 1 f cp 1.3630 496.0000
+ 1.0 1 cl cp 1.7610 314.0000
+ 1.0 1 br cp 1.9200 223.6000
+ 1.0 1 si c 1.8090 238.0000
+ 1.0 1 si h 1.3820 222.4000
+ 1.0 1 si o 1.6650 392.8000
+ 1.3 4 h h 0.74611 398.75
+ 1.3 4 d d 0.74164 398.24
+ 1.3 4 f f 1.417 259.07
+ 1.3 4 cl cl 1.988 236.55
+ 1.3 4 br br 2.290 175.64
+ 1.3 4 i i 2.662 123.21
+ 1.3 4 o o 1.208 833.72
+ 1.3 4 nz nz 1.09758 1632.51
+ 1.3 5 nt nt 1.09758 1632.51
+ 1.3 7 c' s' 1.6110 510.2775
+
+#quadratic_angle cvff
+
+> E = K2 * (Theta - Theta0)^2
+
+!Ver Ref I J K Theta0 K2
+!---- --- ---- ---- ---- -------- -------
+ 3.1 23 mg2+ cl- mg2+ 144.0000 00.0000
+ 3.1 23 mg2+ oz sz 144.0000 00.0000
+ 3.1 23 cl- mg2+ cl- 144.0000 00.0000
+ 3.1 23 oz mg2+ cl- 144.0000 00.0000
+ 3.2 24 sy oy sy 144.0000 00.0000
+ 3.2 34 py oy py 144.0000 00.0000
+ 3.2 34 vy oy vy 144.0000 00.0000
+ 3.2 35 ti4c oy ti4c 144.0000 00.0000
+ 3.2 35 ca2c oy ca2c 144.0000 00.0000
+ 3.2 36 nh4+ oy nh4+ 144.0000 00.0000
+ 3.2 36 so4y oy so4y 144.0000 00.0000
+ 3.2 36 cly- oy cly- 144.0000 00.0000
+ 3.2 35 sr2c oy sr2c 144.0000 00.0000
+ 3.2 34 ayt oy ayt 144.0000 00.0000
+ 3.2 24 ay oy ay 144.0000 00.0000
+ 3.1 23 sz oz sz 144.0000 00.0000
+ 3.1 23 az oz az 144.0000 00.0000
+ 3.1 23 pz oz pz 144.0000 00.0000
+ 3.1 23 ga oz ga 144.0000 00.0000
+ 3.1 23 ge oz ge 144.0000 00.0000
+ 3.1 23 tioc oz tioc 144.0000 00.0000
+ 3.1 23 titd oz titd 144.0000 00.0000
+ 3.1 23 li+ oz li+ 144.0000 00.0000
+ 3.1 23 na+ oz na+ 144.0000 00.0000
+ 3.2 24 nac+ oy nac+ 144.0000 00.0000
+ 3.1 23 k+ oz k+ 144.0000 00.0000
+ 3.1 23 rb+ oz rb+ 144.0000 00.0000
+ 3.1 23 cs+ oz cs+ 144.0000 00.0000
+ 3.1 23 mg2+ oz mg2+ 144.0000 00.0000
+ 3.3 24 mg2c oy mg2c 144.0000 00.0000
+ 3.2 25 mn4c oy mn4c 144.0000 00.0000
+ 3.3 25 mn3c oy mn3c 144.0000 00.0000
+ 3.3 25 co2c oy co2c 144.0000 00.0000
+ 3.3 25 ni2c oy ni2c 144.0000 00.0000
+ 3.3 25 lic+ oy lic+ 144.0000 00.0000
+ 3.1 23 ca2+ oz ca2+ 144.0000 00.0000
+ 3.1 23 ba2+ oz ba2+ 144.0000 00.0000
+ 3.1 23 cu2+ oz cu2+ 144.0000 00.0000
+ 3.2 24 fe2c oy fe2c 144.0000 00.0000
+ 3.1 26 f- oz f- 144.0000 00.0000
+ 3.1 23 cl- oz cl- 144.0000 00.0000
+ 3.1 23 br- oz br- 144.0000 00.0000
+ 3.1 23 i- oz i- 144.0000 00.0000
+ 3.1 23 so4 oz so4 144.0000 00.0000
+ 3.2 24 hocl oy hocl 144.0000 00.0000
+ 3.2 27 pd2+ oy pd2+ 144.0000 00.0000
+ 3.4 30 lioh o* lioh 144.0000 00.0000
+ 3.4 30 naoh o* naoh 144.0000 00.0000
+ 3.4 30 koh o* koh 144.0000 00.0000
+ 3.4 30 foh o* foh 144.0000 00.0000
+ 3.4 30 cloh o* cloh 144.0000 00.0000
+ 3.4 33 beoh o* beoh 144.0000 00.0000
+ 3.4 33 beoh o* h* 144.0000 00.0000
+ 3.0 22 cp cp c' 120.0000 34.6799
+ 3.0 22 cp c' o 120.0000 54.4949
+ 3.0 22 cp c' o' 120.0000 54.4949
+ 3.0 22 cp cp no 120.0000 34.6799
+ 3.0 22 cp no o- 120.0000 54.4949
+ 3.0 22 o- no o- 120.0000 113.5731
+ 1.0 1 c o c' 109.5000 60.0000
+ 1.0 1 h c h 106.4000 39.5000
+ 1.0 1 h c c 110.0000 44.4000
+ 1.0 1 c c c 110.5000 46.6000
+ 1.0 1 c c' o' 120.0000 68.0000
+ 1.0 1 h c c' 109.5000 45.0000
+ 1.0 1 c c c' 110.5000 46.6000
+ 1.0 1 c' n hn 115.0000 37.5000
+ 1.0 1 c' n c 118.0000 111.0000
+ 1.0 1 hn n c 122.0000 35.0000
+ 1.0 1 n c c 109.5000 50.0000
+ 1.0 1 n c h 109.5000 51.5000
+ 1.0 1 n c c' 109.5000 50.0000
+ 1.0 1 c c' n 114.1000 53.5000
+ 1.0 1 o' c' n 120.0000 68.0000
+ 1.0 1 c o ho 106.0000 58.5000
+ 1.0 1 o c h 109.5000 57.0000
+ 1.0 1 c c o 109.5000 70.0000
+ 1.0 1 o c o 109.5000 70.0000
+ 1.0 1 hn n hn 125.0000 33.0000
+ 1.0 1 o' c' o 123.0000 145.0000
+ 1.0 1 c c' o 110.0000 122.8000
+ 1.0 1 c' o ho 112.0000 50.0000
+ 1.0 1 h c' o 110.0000 55.0000
+ 1.0 1 h c' o' 120.0000 55.0000
+ 1.0 1 o- c' o- 123.0000 145.0000
+ 1.0 1 c c' o- 120.0000 68.0000
+ 1.0 1 h c' o- 120.0000 55.0000
+ 1.0 1 c n c 120.0000 37.0000
+ 1.0 1 h c' n 120.0000 45.0000
+ 1.0 1 cp cp h 120.0000 37.0000
+ 1.0 1 cp cp cp 120.0000 90.0000
+ 1.0 1 h c cp 110.0000 44.4000
+ 1.0 1 c cp cp 120.0000 44.2000
+ 1.0 1 c c cp 110.5000 46.6000
+ 1.0 1 cp o ho 109.0000 50.0000
+ 1.0 1 o cp cp 120.0000 60.0000
+ 1.0 1 c sh hs 96.0000 48.0000
+ 1.0 1 h c sh 109.0000 45.0000
+ 1.0 1 h c s 109.0000 45.0000
+ 1.0 1 c c sh 109.0000 62.0000
+ 1.0 1 c c s 109.0000 62.0000
+ 1.0 1 c s c 99.0000 58.0000
+ 1.0 1 c s s 109.5000 75.0000
+ 1.0 1 h c n3 109.5000 57.3000
+ 1.0 1 hn n3 hn 105.5000 36.0000
+ 1.0 1 c n3 c 112.0000 86.3000
+ 1.0 1 c n3 hn 110.0000 41.6000
+ 1.0 1 c c n3 109.5000 50.0000
+ 1.0 1 np cp np 134.0000 102.0000
+ 1.0 1 cp cp np 120.0000 90.0000
+ 1.0 1 h cp np 120.0000 50.0000
+ 1.0 1 cp np cp 114.0000 75.1000
+ 1.0 1 cp np hn 120.0000 27.5000
+ 1.0 1 h cp c5 120.0000 37.0000
+ 1.0 1 cp cp c5 120.0000 90.0000
+ 1.0 1 cp c5 c5 120.0000 90.0000
+ 1.0 1 c5 c5 h 120.0000 37.0000
+ 1.0 1 c5 c5 c5 120.0000 90.0000
+ 1.0 1 h c c5 110.0000 44.4000
+ 1.0 1 c c5 c5 120.0000 44.2000
+ 1.0 1 c c c5 110.5000 46.6000
+ 1.0 1 np c5 np 134.0000 102.0000
+ 1.0 1 c5 c5 np 120.0000 90.0000
+ 1.0 1 cp c5 np 120.0000 90.0000
+ 1.0 1 h c5 np 120.0000 40.0000
+ 1.0 1 c5 np c5 114.0000 75.1000
+ 1.0 1 c5 np hn 120.0000 27.5000
+ 1.0 1 c c5 np 120.0000 50.0000
+ 1.0 1 n c' n 120.0000 102.0000
+ 1.0 1 cp o c 109.5000 50.0000
+ 1.0 1 np cp n 120.0000 102.0000
+ 1.0 1 cp cp n 120.0000 102.0000
+ 1.0 1 hn n cp 115.0000 37.5000
+ 1.0 1 n3 c c' 109.5000 50.0000
+ 1.0 1 cp c cp 110.5000 46.6000
+ 1.0 1 c o c 109.5000 60.0000
+ 1.0 1 h* o* h* 104.5000 50.0000
+ 1.0 1 p o c 120.0000 72.0000
+ 1.0 1 p o p 120.0000 72.0000
+ 1.0 1 o p o 109.5000 110.0000
+ 1.0 1 o' p o 109.5000 110.0000
+ 1.0 1 o' p o' 109.5000 110.0000
+ 1.0 1 o- p o- 109.5000 110.0000
+ 1.0 1 o p o- 109.5000 110.0000
+ 1.0 1 h p o- 109.5000 80.0000
+ 1.0 1 c5 np c 128.8000 70.0000
+ 1.0 1 np c o 109.5000 80.0000
+ 1.0 1 np c h 109.5000 80.0000
+ 1.0 1 np c c 109.5000 80.0000
+ 1.0 1 c= c' n 114.1000 53.5000
+ 2.0 19 c=1 c' n 114.1000 53.5000
+ 2.0 19 c=2 c' n 114.1000 53.5000
+ 1.0 1 c' c= c= 122.3000 36.2000
+ 2.0 19 c' c=1 c= 122.3000 36.2000
+ 2.0 19 c' c=2 c= 122.3000 36.2000
+ 2.0 19 c' c= c=1 122.3000 36.2000
+ 2.0 19 c' c=1 c=1 122.3000 36.2000
+ 2.0 19 c' c=2 c=1 122.3000 36.2000
+ 2.0 19 c' c= c=2 122.3000 36.2000
+ 2.0 19 c' c=1 c=2 122.3000 36.2000
+ 2.0 19 c' c=2 c=2 122.3000 36.2000
+ 1.0 1 c c= c= 122.3000 36.2000
+ 2.0 19 c c=1 c= 122.3000 36.2000
+ 2.0 19 c c=2 c= 122.3000 36.2000
+ 2.0 19 c c= c=1 122.3000 36.2000
+ 2.0 19 c c=1 c=1 122.3000 36.2000
+ 2.0 19 c c=2 c=1 122.3000 36.2000
+ 2.0 19 c c= c=2 122.3000 36.2000
+ 2.0 19 c c=1 c=2 122.3000 36.2000
+ 2.0 19 c c=2 c=2 122.3000 36.2000
+ 1.0 1 c c= h 120.0000 37.5000
+ 2.0 19 c c=1 h 120.0000 37.5000
+ 2.0 19 c c=2 h 120.0000 37.5000
+ 1.0 1 c= c c= 110.5000 46.6000
+ 2.0 19 c=1 c c= 110.5000 46.6000
+ 2.0 19 c=2 c c= 110.5000 46.6000
+ 2.0 19 c=1 c c=1 110.5000 46.6000
+ 2.0 19 c=1 c c=2 110.5000 46.6000
+ 2.0 19 c=2 c c=2 110.5000 46.6000
+ 1.0 1 c' c c= 110.5000 46.6000
+ 2.0 19 c' c c=1 110.5000 46.6000
+ 2.0 19 c' c c=2 110.5000 46.6000
+ 1.0 1 h c c= 110.0000 44.4000
+ 2.0 19 h c c=1 110.0000 44.4000
+ 2.0 19 h c c=2 110.0000 44.4000
+ 1.0 1 c= c= h 121.2000 33.8000
+ 2.0 19 c=1 c= h 121.2000 33.8000
+ 2.0 19 c=2 c= h 121.2000 33.8000
+ 2.0 19 c= c=1 h 121.2000 33.8000
+ 2.0 19 c=1 c=1 h 121.2000 33.8000
+ 2.0 19 c=2 c=1 h 121.2000 33.8000
+ 2.0 19 c= c=2 h 121.2000 33.8000
+ 2.0 19 c=1 c=2 h 121.2000 33.8000
+ 2.0 19 c=2 c=2 h 121.2000 33.8000
+ 1.0 1 c= c= np 120.0000 90.0000
+ 2.0 19 c=1 c= np 120.0000 90.0000
+ 2.0 19 c=2 c= np 120.0000 90.0000
+ 2.0 19 c= c=1 np 120.0000 90.0000
+ 2.0 19 c=1 c=1 np 120.0000 90.0000
+ 2.0 19 c=2 c=1 np 120.0000 90.0000
+ 2.0 19 c= c=2 np 120.0000 90.0000
+ 2.0 19 c=1 c=2 np 120.0000 90.0000
+ 2.0 19 c=2 c=2 np 120.0000 90.0000
+ 1.0 1 c= np c= 114.0000 75.1000
+ 2.0 19 c=1 np c= 114.0000 75.1000
+ 2.0 19 c=2 np c= 114.0000 75.1000
+ 2.0 19 c=1 np c=1 114.0000 75.1000
+ 2.0 19 c=1 np c=2 114.0000 75.1000
+ 2.0 19 c=2 np c=2 114.0000 75.1000
+ 1.0 1 o' c' c= 120.0000 50.0000
+ 2.0 19 o' c' c=1 120.0000 50.0000
+ 2.0 19 o' c' c=2 120.0000 50.0000
+ 1.0 1 c c= c' 120.0000 50.0000
+ 2.0 19 c c=1 c' 120.0000 50.0000
+ 2.0 19 c c=2 c' 120.0000 50.0000
+ 1.0 1 h c= np 120.0000 40.0000
+ 2.0 19 h c=1 np 120.0000 40.0000
+ 2.0 19 h c=2 np 120.0000 40.0000
+ 1.0 1 c np c= 120.0000 50.0000
+ 2.0 19 c np c=1 120.0000 50.0000
+ 2.0 19 c np c=2 120.0000 50.0000
+ 1.0 1 cp np c5 114.0000 75.1000
+ 1.0 1 c5 cp np 120.0000 90.0000
+ 1.0 1 c5 cp n 120.0000 102.0000
+ 1.0 1 f c c 107.8000 99.0000
+ 1.0 1 f c h 107.1000 62.0000
+ 1.0 1 cl c c 107.8000 85.0000
+ 1.0 1 cl c h 107.1000 67.0000
+ 1.0 1 br c c 107.8000 96.0000
+ 1.0 1 br c h 107.1000 56.0000
+ 1.0 1 f cp cp 120.0000 99.0000
+ 1.0 1 cl cp cp 120.0000 85.0000
+ 1.0 1 br cp cp 120.0000 96.0000
+ 1.0 1 si c h 112.3000 34.6000
+ 1.0 1 c si c 113.5000 44.4000
+ 1.0 1 c si h 109.1000 32.7000
+ 1.0 1 h si h 112.0000 31.8000
+ 1.0 1 si c si 122.5000 42.2000
+ 1.0 1 c si o 117.3000 44.1000
+ 1.0 1 o si h 113.4000 33.3000
+ 1.0 1 si o si 149.8000 31.1000
+ 1.0 1 o si o 113.1000 42.3000
+ 1.0 1 si o c 124.1000 56.4000
+ 1.3 5 nt nt cp 180.0 50.0
+ 1.3 5 nt nt c 180.0 50.0
+ 1.3 6 cs c5 c5 112.7000 70.0000
+ 1.3 6 cs c5 h 124.0000 30.0000
+ 1.3 6 c5 cs h 124.0000 30.0000
+ 1.3 6 cs sp cs 92.5670 126.5060
+ 1.3 6 sp cs c5 111.0390 88.7595
+ 1.3 6 sp cs h 119.9000 30.2723
+ 1.3 7 s' c' h 121.6300 40.9360
+ 1.3 7 h c' h 117.0200 26.3900
+ 1.3 7 c c' c 120.0000 40.0000
+ 1.3 7 s' c' c 120.0000 40.0000
+ 1.3 8 c5 op c5 120.0000 75.0000
+ 3.2 24 oy sy oy 109.4700 00.0000
+ 3.2 34 oy py oy 109.4700 00.0000
+ 3.2 34 oy vy oy 109.4700 00.0000
+ 3.2 35 oy ti4c oy 109.4700 00.0000
+ 3.2 35 oy ca2c oy 109.4700 00.0000
+ 3.2 36 oy nh4+ oy 109.4700 00.0000
+ 3.2 36 oy so4y oy 109.4700 00.0000
+ 3.2 36 oy cly- oy 109.4700 00.0000
+ 3.2 35 oy sr2c oy 109.4700 00.0000
+ 3.2 34 oy ayt oy 109.4700 00.0000
+ 3.2 24 oy ay oy 109.4700 00.0000
+ 3.1 23 oz sz oz 109.4700 00.0000
+ 3.1 23 oz az oz 109.4700 00.0000
+ 3.1 23 oz pz oz 109.4700 00.0000
+ 3.1 23 oz ga oz 109.4700 00.0000
+ 3.1 23 oz ge oz 109.4700 00.0000
+ 3.1 23 oz tioc oz 109.4700 00.0000
+ 3.1 23 oz titd oz 109.4700 00.0000
+ 3.1 23 oz li+ oz 109.4700 00.0000
+ 3.2 24 oy nac+ oy 109.4700 00.0000
+ 3.1 23 oz na+ oz 109.4700 00.0000
+ 3.1 23 oz k+ oz 109.4700 00.0000
+ 3.1 23 oz rb+ oz 109.4700 00.0000
+ 3.1 23 oz cs+ oz 109.4700 00.0000
+ 3.2 24 oy mg2c oy 109.4700 00.0000
+ 3.3 25 oy mn4c oy 109.4700 00.0000
+ 3.3 25 oy mn3c oy 109.4700 00.0000
+ 3.3 25 oy co2c oy 109.4700 00.0000
+ 3.3 25 oy ni2c oy 109.4700 00.0000
+ 3.3 25 oy lic+ oy 109.4700 00.0000
+ 3.1 23 oz mg2+ oz 109.4700 00.0000
+ 3.1 23 oz ca2+ oz 109.4700 00.0000
+ 3.1 23 oz ba2+ oz 109.4700 00.0000
+ 3.1 23 oz cu2+ oz 109.4700 00.0000
+ 3.2 24 oy fe2c oy 109.4700 00.0000
+ 3.1 26 oz f- oz 109.4700 00.0000
+ 3.1 23 oz cl- oz 109.4700 00.0000
+ 3.1 23 oz br- oz 109.4700 00.0000
+ 3.1 23 oz i- oz 109.4700 00.0000
+ 3.1 23 oz so4 oz 109.4700 00.0000
+ 3.2 24 oy hocl oy 109.4700 00.0000
+ 3.2 27 oy pd2+ oy 109.4700 00.0000
+ 3.4 30 o* lioh o* 109.4700 00.0000
+ 3.4 30 o* naoh o* 109.4700 00.0000
+ 3.4 30 o* koh o* 109.4700 00.0000
+ 3.4 30 o* foh o* 109.4700 00.0000
+ 3.4 33 o* beoh o* 109.4700 00.0000
+ 3.4 30 o* cloh o* 109.4700 00.0000
+ 2.1 26 al oz al 149.8000 31.1000
+ 2.1 26 oz al oz 113.1000 42.3000
+ 2.1 26 oz al h 113.4000 33.3000
+ 2.1 26 h al h 112.0000 31.8000
+ 2.1 26 o al o 113.1000 42.3000
+ 2.1 26 o al h 113.4000 33.3000
+
+
+#bond-bond cvff
+
+> E = K(b,b') * (R - R0) * (R' - R0')
+
+!Ver Ref I J K K(b,b')
+!---- --- ---- ---- ---- -------
+ 1.0 1 c o c' 0.0000
+ 1.0 1 h c h 0.0000
+ 1.0 1 h c c 0.0000
+ 1.0 1 c c c 28.5000
+ 1.0 1 c c' o' 25.0000
+ 1.0 1 h c c' 2.0000
+ 1.0 1 c c c' 28.5000
+ 1.0 1 c' n hn 2.0000
+ 1.0 1 c' n c 25.3000
+ 1.0 1 hn n c 2.0000
+ 1.0 1 n c c 25.0000
+ 1.0 1 n c h 2.0000
+ 1.0 1 n c c' 25.0000
+ 1.0 1 c c' n 45.9000
+ 1.0 1 o' c' n 10.0000
+ 1.0 1 c o ho 0.0000
+ 1.0 1 o c h 0.0000
+ 1.0 1 c c o 25.0000
+ 1.0 1 o c o 25.0000
+ 1.0 1 hn n hn 10.0000
+ 1.0 1 o' c' o 0.0000
+ 1.0 1 c c' o 0.0000
+ 1.0 1 c' o ho 0.0000
+ 1.0 1 h c' o 0.0000
+ 1.0 1 h c' o' 25.0000
+ 1.0 1 o- c' o- 50.0000
+ 1.0 1 c c' o- 50.0000
+ 1.0 1 h c' o- 50.0000
+ 1.0 1 c n c 50.0000
+ 1.0 1 h c' n 0.0000
+ 1.0 1 cp cp h -16.0000
+ 1.0 1 cp cp cp 45.0000
+ 1.0 1 h c cp 0.0000
+ 1.0 1 c cp cp 0.0000
+ 1.0 1 c c cp 28.5000
+ 1.0 1 cp o ho 0.0000
+ 1.0 1 o cp cp 50.0000
+ 1.0 1 c sh hs 0.0000
+ 1.0 1 h c sh 0.0000
+ 1.0 1 h c s 0.0000
+ 1.0 1 c c sh 2.0000
+ 1.0 1 c c s 2.0000
+ 1.0 1 c s c 0.0000
+ 1.0 1 c s s 0.0000
+ 1.0 1 h c n3 0.0000
+ 1.0 1 hn n3 hn 0.0000
+ 1.0 1 c n3 c 0.0000
+ 1.0 1 c n3 hn 0.0000
+ 1.0 1 c c n3 0.0000
+ 1.0 1 np cp np 0.0000
+ 1.0 1 cp cp np 0.0000
+ 1.0 1 h cp np 0.0000
+ 1.0 1 cp np cp 0.0000
+ 1.0 1 cp np hn 0.0000
+ 1.0 1 h cp c5 -16.0000
+ 1.0 1 cp cp c5 45.0000
+ 1.0 1 cp c5 c5 0.0000
+ 1.0 1 c5 c5 h -16.0000
+ 1.0 1 c5 c5 c5 0.0000
+ 1.0 1 h c c5 0.0000
+ 1.0 1 c c5 c5 0.0000
+ 1.0 1 c c c5 28.5000
+ 1.0 1 np c5 np 0.0000
+ 1.0 1 c5 c5 np 0.0000
+ 1.0 1 cp c5 np 0.0000
+ 1.0 1 h c5 np 0.0000
+ 1.0 1 c5 np c5 0.0000
+ 1.0 1 c5 np hn 0.0000
+ 1.0 1 c c5 np 0.0000
+ 1.0 1 n c' n 0.0000
+ 1.0 1 cp o c 0.0000
+ 1.0 1 np cp n 0.0000
+ 1.0 1 cp cp n 0.0000
+ 1.0 1 hn n cp 2.0000
+ 1.0 1 n3 c c' 25.0000
+ 1.0 1 cp c cp 28.5000
+ 1.0 1 c o c 0.0000
+ 1.0 1 h* o* h* -14.5000
+ 1.0 1 p o c 0.0000
+ 1.0 1 p o p 0.0000
+ 1.0 1 o p o 80.0000
+ 1.0 1 o' p o 40.0000
+ 1.0 1 o' p o' 40.0000
+ 1.0 1 o- p o- 40.0000
+ 1.0 1 o p o- 40.0000
+ 1.0 1 h p o- 0.0000
+ 1.0 1 c5 np c 0.0000
+ 1.0 1 np c o 0.0000
+ 1.0 1 np c h 0.0000
+ 1.0 1 np c c 0.0000
+ 1.0 1 c= c' n 45.9000
+ 2.0 19 c=1 c' n 45.9000
+ 2.0 19 c=2 c' n 45.9000
+ 1.0 1 c' c= c= 28.5000
+ 2.0 19 c' c=1 c= 28.5000
+ 2.0 19 c' c=2 c= 28.5000
+ 2.0 19 c' c= c=1 28.5000
+ 2.0 19 c' c=1 c=1 28.5000
+ 2.0 19 c' c=2 c=1 28.5000
+ 2.0 19 c' c= c=2 28.5000
+ 2.0 19 c' c=1 c=2 28.5000
+ 2.0 19 c' c=2 c=2 28.5000
+ 1.0 1 c c= c= 28.5000
+ 2.0 19 c c=1 c= 28.5000
+ 2.0 19 c c=2 c= 28.5000
+ 2.0 19 c c= c=1 28.5000
+ 2.0 19 c c=1 c=1 28.5000
+ 2.0 19 c c=2 c=1 28.5000
+ 2.0 19 c c= c=2 28.5000
+ 2.0 19 c c=1 c=2 28.5000
+ 2.0 19 c c=2 c=2 28.5000
+ 1.0 1 c c= h 0.0000
+ 2.0 19 c c=1 h 0.0000
+ 2.0 19 c c=2 h 0.0000
+ 1.0 1 c= c c= 28.5000
+ 2.0 19 c=1 c c= 28.5000
+ 2.0 19 c=2 c c= 28.5000
+ 2.0 19 c=1 c c=1 28.5000
+ 2.0 19 c=1 c c=2 28.5000
+ 2.0 19 c=2 c c=2 28.5000
+ 1.0 1 c' c c= 28.5000
+ 2.0 19 c' c c=1 28.5000
+ 2.0 19 c' c c=2 28.5000
+ 1.0 1 h c c= 0.0000
+ 2.0 19 h c c=1 0.0000
+ 2.0 19 h c c=2 0.0000
+ 1.0 1 c= c= h 0.0000
+ 2.0 19 c=1 c= h 0.0000
+ 2.0 19 c=2 c= h 0.0000
+ 2.0 19 c= c=1 h 0.0000
+ 2.0 19 c=1 c=1 h 0.0000
+ 2.0 19 c=2 c=1 h 0.0000
+ 2.0 19 c= c=2 h 0.0000
+ 2.0 19 c=1 c=2 h 0.0000
+ 2.0 19 c=2 c=2 h 0.0000
+ 1.0 1 c= c= np 0.0000
+ 2.0 19 c=1 c= np 0.0000
+ 2.0 19 c=2 c= np 0.0000
+ 2.0 19 c= c=1 np 0.0000
+ 2.0 19 c=1 c=1 np 0.0000
+ 2.0 19 c=2 c=1 np 0.0000
+ 2.0 19 c= c=2 np 0.0000
+ 2.0 19 c=1 c=2 np 0.0000
+ 2.0 19 c=2 c=2 np 0.0000
+ 1.0 1 c= np c= 0.0000
+ 2.0 19 c=1 np c= 0.0000
+ 2.0 19 c=2 np c= 0.0000
+ 2.0 19 c=1 np c=1 0.0000
+ 2.0 19 c=1 np c=2 0.0000
+ 2.0 19 c=2 np c=2 0.0000
+ 1.0 1 o' c' c= 0.0000
+ 2.0 19 o' c' c=1 0.0000
+ 2.0 19 o' c' c=2 0.0000
+ 1.0 1 c c= c' 0.0000
+ 2.0 19 c c=1 c' 0.0000
+ 2.0 19 c c=2 c' 0.0000
+ 1.0 1 h c= np 0.0000
+ 2.0 19 h c=1 np 0.0000
+ 2.0 19 h c=2 np 0.0000
+ 1.0 1 c np c= 0.0000
+ 2.0 19 c np c=1 0.0000
+ 2.0 19 c np c=2 0.0000
+ 1.0 1 cp np c5 0.0000
+ 1.0 1 c5 cp np 0.0000
+ 1.0 1 c5 cp n 0.0000
+ 1.0 1 f c c 0.0000
+ 1.0 1 f c h 0.0000
+ 1.0 1 cl c c 0.0000
+ 1.0 1 cl c h 0.0000
+ 1.0 1 br c c 0.0000
+ 1.0 1 br c h 0.0000
+ 1.0 1 f cp cp 0.0000
+ 1.0 1 cl cp cp 0.0000
+ 1.0 1 br cp cp 0.0000
+ 1.0 1 si c h 23.8000
+ 1.0 1 c si c 12.2000
+ 1.0 1 c si h 6.7000
+ 1.0 1 h si h 17.4000
+ 1.0 1 si c si 12.2000
+ 1.0 1 c si o 42.0000
+ 1.0 1 o si h 27.9000
+ 1.0 1 si o si 71.3000
+ 1.0 1 o si o 71.3000
+ 1.0 1 si o c 77.1000
+ 1.3 6 cs c5 c5 0.0000
+ 1.3 6 cs c5 h -16.0000
+ 1.3 6 c5 cs h -16.0000
+ 1.3 6 cs sp cs 0.0000
+ 1.3 6 sp cs c5 0.0000
+ 1.3 6 sp cs h 0.0000
+! 1.0 1 $$ C$4 $$ 0.0000
+! 1.0 1 $$ C$3 $$ 0.0000
+! 1.0 1 $$ C$2 $$ 0.0000
+! 1.0 1 $$ O$2 $$ 0.0000
+! 1.0 1 $$ N$4 $$ 0.0000
+! 1.0 1 $$ N$3 $$ 0.0000
+! 1.0 1 $$ N$2 $$ 0.0000
+! 1.0 1 $$ S$2 $$ 0.0000
+! 1.0 1 $$ P$4 $$ 0.0000
+! 1.0 1 O$$ N$3 O$$ 0.0000
+! 1.0 1 C$$ S$2 H$$ 0.0000
+! 1.0 1 C$$ S$2 C$$ 0.0000
+! 1.0 1 C$$ S$2 S$$ 0.0000
+
+#bond-angle cvff
+
+> E = K * (R - R0) * (Theta - Theta0)
+
+!Ver Ref I J K K(b,theta) K(b',theta)
+!---- --- ---- ---- ---- ---------- -----------
+ 1.0 1 c o c' 57.0000 57.0000
+ 1.0 1 h c h 0.0000
+ 1.0 1 h c c 12.6000 38.4000
+ 1.0 1 c c c 60.2000
+ 1.0 1 c c' o' 30.0000 2.0000
+ 1.0 1 h c c' 2.0000 38.4000
+ 1.0 1 c c c' 60.2000 60.2000
+ 1.0 1 c' n hn 23.3000 2.0000
+ 1.0 1 c' n c 30.0000 31.5000
+ 1.0 1 hn n c 2.0000 23.3000
+ 1.0 1 n c c 35.0000 35.0000
+ 1.0 1 n c h 40.0000 2.0000
+ 1.0 1 n c c' 35.0000 35.0000
+ 1.0 1 c c' n 31.5000 2.0000
+ 1.0 1 o' c' n 2.0000 2.0000
+ 1.0 1 c o ho 57.0000 0.0000
+ 1.0 1 o c h 64.4000 0.0000
+ 1.0 1 c c o 0.0000 0.0000
+ 1.0 1 o c o 0.0000
+ 1.0 1 hn n hn 2.0000
+ 1.0 1 o' c' o 0.0000 0.0000
+ 1.0 1 c c' o 0.0000 0.0000
+ 1.0 1 c' o ho 0.0000 0.0000
+ 1.0 1 h c' o 0.0000 0.0000
+ 1.0 1 h c' o' 2.0000 30.0000
+ 1.0 1 o- c' o- 0.0000
+ 1.0 1 c c' o- 0.0000 30.0000
+ 1.0 1 h c' o- 0.0000 30.0000
+ 1.0 1 c n c 50.0000
+ 1.0 1 h c' n 0.0000 0.0000
+ 1.0 1 cp cp h 50.0000 0.0000
+ 1.0 1 cp cp cp -50.0000
+ 1.0 1 h c cp 12.6000 38.4000
+ 1.0 1 c cp cp -50.0000 -50.0000
+ 1.0 1 c c cp 60.2000 60.2000
+ 1.0 1 cp o ho 0.0000 0.0000
+ 1.0 1 o cp cp 0.0000 0.0000
+ 1.0 1 c sh hs 0.0000 0.0000
+ 1.0 1 h c sh 0.0000 0.0000
+ 1.0 1 h c s 0.0000 0.0000
+ 1.0 1 c c sh 50.0000 50.0000
+ 1.0 1 c c s 50.0000 50.0000
+ 1.0 1 c s c 0.0000
+ 1.0 1 c s s 0.0000 0.0000
+ 1.0 1 h c n3 0.0000 0.0000
+ 1.0 1 hn n3 hn 0.0000
+ 1.0 1 c n3 c 0.0000
+ 1.0 1 c n3 hn 0.0000 0.0000
+ 1.0 1 c c n3 0.0000 0.0000
+ 1.0 1 np cp np 0.0000
+ 1.0 1 cp cp np 0.0000 0.0000
+ 1.0 1 h cp np 0.0000 50.0000
+ 1.0 1 cp np cp 0.0000
+ 1.0 1 cp np hn 0.0000 0.0000
+ 1.0 1 h cp c5 0.0000 50.0000
+ 1.0 1 cp cp c5 -50.0000 -50.0000
+ 1.0 1 cp c5 c5 0.0000 0.0000
+ 1.0 1 c5 c5 h 50.0000 0.0000
+ 1.0 1 c5 c5 c5 0.0000
+ 1.0 1 h c c5 12.6000 38.4000
+ 1.0 1 c c5 c5 -50.0000 -50.0000
+ 1.0 1 c c c5 60.2000 60.2000
+ 1.0 1 np c5 np 0.0000
+ 1.0 1 c5 c5 np 0.0000 0.0000
+ 1.0 1 cp c5 np 0.0000 0.0000
+ 1.0 1 h c5 np 0.0000 50.0000
+ 1.0 1 c5 np c5 0.0000
+ 1.0 1 c5 np hn 0.0000 0.0000
+ 1.0 1 c c5 np 0.0000 0.0000
+ 1.0 1 n c' n 0.0000
+ 1.0 1 cp o c 0.0000 0.0000
+ 1.0 1 np cp n 0.0000 0.0000
+ 1.0 1 cp cp n 0.0000 0.0000
+ 1.0 1 hn n cp 2.0000 23.3000
+ 1.0 1 n3 c c' 35.0000 35.0000
+ 1.0 1 cp c cp 60.2000
+ 1.0 1 c o c 57.0000
+ 1.0 1 h* o* h* 31.3000
+ 1.0 1 p o c 0.0000 0.0000
+ 1.0 1 p o p 0.0000
+ 1.0 1 o p o 0.0000
+ 1.0 1 o' p o 0.0000 0.0000
+ 1.0 1 o' p o' 0.0000
+ 1.0 1 o- p o- 0.0000
+ 1.0 1 o p o- 0.0000 0.0000
+ 1.0 1 h p o- 0.0000 60.0000
+ 1.0 1 c5 np c 0.0000 0.0000
+ 1.0 1 np c o 0.0000 0.0000
+ 1.0 1 np c h 0.0000 0.0000
+ 1.0 1 np c c 0.0000 0.0000
+ 1.0 1 c= c' n 31.5000 2.0000
+ 2.0 19 c=1 c' n 31.5000 2.0000
+ 2.0 19 c=2 c' n 31.5000 2.0000
+ 1.0 1 c' c= c= 60.2000 60.2000
+ 2.0 19 c' c=1 c= 60.2000 60.2000
+ 2.0 19 c' c=2 c= 60.2000 60.2000
+ 2.0 19 c' c= c=1 60.2000 60.2000
+ 2.0 19 c' c=1 c=1 60.2000 60.2000
+ 2.0 19 c' c=2 c=1 60.2000 60.2000
+ 2.0 19 c' c= c=2 60.2000 60.2000
+ 2.0 19 c' c=1 c=2 60.2000 60.2000
+ 2.0 19 c' c=2 c=2 60.2000 60.2000
+ 1.0 1 c c= c= 60.2000 60.2000
+ 2.0 19 c c=1 c= 60.2000 60.2000
+ 2.0 19 c c=2 c= 60.2000 60.2000
+ 2.0 19 c c= c=1 60.2000 60.2000
+ 2.0 19 c c=1 c=1 60.2000 60.2000
+ 2.0 19 c c=2 c=1 60.2000 60.2000
+ 2.0 19 c c= c=2 60.2000 60.2000
+ 2.0 19 c c=1 c=2 60.2000 60.2000
+ 2.0 19 c c=2 c=2 60.2000 60.2000
+ 1.0 1 c c= h 0.0000 38.4000
+ 2.0 19 c c=1 h 0.0000 38.4000
+ 2.0 19 c c=2 h 0.0000 38.4000
+ 1.0 1 c= c c= 60.2000
+ 2.0 19 c=1 c c= 60.2000 60.2000
+ 2.0 19 c=2 c c= 60.2000 60.2000
+ 2.0 19 c=1 c c=1 60.2000
+ 2.0 19 c=1 c c=2 60.2000 60.2000
+ 2.0 19 c=2 c c=2 60.2000
+ 1.0 1 c' c c= 60.2000 60.2000
+ 2.0 19 c' c c=1 60.2000 60.2000
+ 2.0 19 c' c c=2 60.2000 60.2000
+ 1.0 1 h c c= 12.6000 38.4000
+ 2.0 19 h c c=1 12.6000 38.4000
+ 2.0 19 h c c=2 12.6000 38.4000
+ 1.0 1 c= c= h 38.4000 0.0000
+ 2.0 19 c=1 c= h 38.4000 0.0000
+ 2.0 19 c=2 c= h 38.4000 0.0000
+ 2.0 19 c= c=1 h 38.4000 0.0000
+ 2.0 19 c=1 c=1 h 38.4000 0.0000
+ 2.0 19 c=2 c=1 h 38.4000 0.0000
+ 2.0 19 c= c=2 h 38.4000 0.0000
+ 2.0 19 c=1 c=2 h 38.4000 0.0000
+ 2.0 19 c=2 c=2 h 38.4000 0.0000
+ 2.0 19 c= c= np 0.0000 0.0000
+ 2.0 19 c=1 c= np 0.0000 0.0000
+ 2.0 19 c=2 c= np 0.0000 0.0000
+ 2.0 19 c= c=1 np 0.0000 0.0000
+ 2.0 19 c=1 c=1 np 0.0000 0.0000
+ 2.0 19 c=2 c=1 np 0.0000 0.0000
+ 1.0 1 c= c=2 np 0.0000 0.0000
+ 2.0 19 c=1 c=2 np 0.0000 0.0000
+ 2.0 19 c=2 c=2 np 0.0000 0.0000
+ 1.0 1 c= np c= 0.0000
+ 2.0 19 c=1 np c= 0.0000 0.0000
+ 2.0 19 c=2 np c= 0.0000 0.0000
+ 2.0 19 c=1 np c=1 0.0000
+ 2.0 19 c=1 np c=2 0.0000 0.0000
+ 2.0 19 c=2 np c=2 0.0000
+ 1.0 1 o' c' c= 0.0000 0.0000
+ 2.0 19 o' c' c=1 0.0000 0.0000
+ 2.0 19 o' c' c=2 0.0000 0.0000
+ 1.0 1 c c= c' 0.0000 0.0000
+ 2.0 19 c c=1 c' 0.0000 0.0000
+ 2.0 19 c c=2 c' 0.0000 0.0000
+ 1.0 1 h c= np 0.0000 50.0000
+ 2.0 19 h c=1 np 0.0000 50.0000
+ 2.0 19 h c=2 np 0.0000 50.0000
+ 1.0 1 c np c= 0.0000 0.0000
+ 2.0 19 c np c=1 0.0000 0.0000
+ 2.0 19 c np c=2 0.0000 0.0000
+ 1.0 1 cp np c5 0.0000 0.0000
+ 1.0 1 c5 cp np 0.0000 0.0000
+ 1.0 1 c5 cp n 0.0000 0.0000
+ 1.0 1 f c c 0.0000 0.0000
+ 1.0 1 f c h 0.0000 0.0000
+ 1.0 1 cl c c 0.0000 0.0000
+ 1.0 1 cl c h 0.0000 0.0000
+ 1.0 1 br c c 0.0000 0.0000
+ 1.0 1 br c h 0.0000 0.0000
+ 1.0 1 f cp cp 0.0000 0.0000
+ 1.0 1 cl cp cp 0.0000 0.0000
+ 1.0 1 br cp cp 0.0000 0.0000
+ 1.0 1 si c h 24.5000 16.2000
+ 1.0 1 c si c 1.3000
+ 1.0 1 c si h 1.9000 -4.1000
+ 1.0 1 h si h 4.2000
+ 1.0 1 si c si 20.0000
+ 1.0 1 c si o -19.0000 45.0000
+ 1.0 1 o si h 0.0000 -6.4000
+ 1.0 1 si o si 19.0000
+ 1.0 1 o si o 11.0000
+ 1.0 1 si o c 80.0000 62.0000
+ 1.3 6 cs c5 c5 0.0000 0.0000
+ 1.3 6 cs c5 h 50.0000 0.0000
+ 1.3 6 c5 cs h 50.0000 0.0000
+ 1.3 6 cs sp cs 0.0000
+ 1.3 6 sp cs c5 0.0000 0.0000
+ 1.3 6 sp cs h 0.0000 0.0000
+! 1.0 1 $$ C$4 $$ 0.0000
+! 1.0 1 $$ C$3 $$ 0.0000
+! 1.0 1 $$ C$2 $$ 0.0000
+! 1.0 1 $$ O$2 $$ 0.0000
+! 1.0 1 $$ N$4 $$ 0.0000
+! 1.0 1 $$ N$3 $$ 0.0000
+! 1.0 1 $$ N$2 $$ 0.0000
+! 1.0 1 $$ S$2 $$ 0.0000
+! 1.0 1 $$ P$4 $$ 0.0000
+! 1.0 1 O$$ N$3 O$$ 0.0000
+! 1.0 1 C$$ S$2 H$$ 0.0000 0.0000
+! 1.0 1 C$$ S$2 C$$ 0.0000
+! 1.0 1 C$$ S$2 S$$ 0.0000 0.0000
+
+#torsion_1 cvff
+
+> E = Kphi * [ 1 + cos(n*Phi - Phi0) ]
+
+!Ver Ref I J K L Kphi n Phi0
+!---- --- ---- ---- ---- ---- ------- ------ -------
+ 3.1 23 * cl- mg2+ * 00.0000 2 000.0000
+ 3.2 24 * sy oy * 00.0000 2 000.0000
+ 3.2 34 * py oy * 00.0000 2 000.0000
+ 3.2 34 * vy oy * 00.0000 2 000.0000
+ 3.2 35 * ti4c oy * 00.0000 2 000.0000
+ 3.2 35 * ca2c oy * 00.0000 2 000.0000
+ 3.2 36 * nh4+ oy * 00.0000 2 000.0000
+ 3.2 36 * so4y oy * 00.0000 2 000.0000
+ 3.2 36 * cly- oy * 00.0000 2 000.0000
+ 3.2 35 * sr2c oy * 00.0000 2 000.0000
+ 3.2 34 * ayt oy * 00.0000 2 000.0000
+ 3.2 24 * ay oy * 00.0000 2 000.0000
+ 3.1 23 * sz oz * 00.0000 2 000.0000
+ 3.1 23 * az oz * 00.0000 2 000.0000
+ 3.1 23 * pz oz * 00.0000 2 000.0000
+ 3.1 23 * ga oz * 00.0000 2 000.0000
+ 3.1 23 * ge oz * 00.0000 2 000.0000
+ 3.1 23 * tioc oz * 00.0000 2 000.0000
+ 3.1 23 * titd oz * 00.0000 2 000.0000
+ 3.1 23 * li+ oz * 00.0000 2 000.0000
+ 3.2 24 * nac+ oy * 00.0000 2 000.0000
+ 3.1 23 * na+ oz * 00.0000 2 000.0000
+ 3.1 23 * k+ oz * 00.0000 2 000.0000
+ 3.1 23 * rb+ oz * 00.0000 2 000.0000
+ 3.1 23 * cs+ oz * 00.0000 2 000.0000
+ 3.2 24 * mg2c oy * 00.0000 2 000.0000
+ 3.3 25 * mn4c oy * 00.0000 2 000.0000
+ 3.3 25 * mn3c oy * 00.0000 2 000.0000
+ 3.3 25 * co2c oy * 00.0000 2 000.0000
+ 3.3 25 * ni2c oy * 00.0000 2 000.0000
+ 3.3 25 * lic+ oy * 00.0000 2 000.0000
+ 3.1 23 * mg2+ oz * 00.0000 2 000.0000
+ 3.1 23 * ca2+ oz * 00.0000 2 000.0000
+ 3.1 23 * ba2+ oz * 00.0000 2 000.0000
+ 3.1 23 * cu2+ oz * 00.0000 2 000.0000
+ 3.2 24 * fe2c oy * 00.0000 2 000.0000
+ 3.1 26 * f- oz * 00.0000 2 000.0000
+ 3.1 23 * cl- oz * 00.0000 2 000.0000
+ 3.1 23 * br- oz * 00.0000 2 000.0000
+ 3.1 23 * i- oz * 00.0000 2 000.0000
+ 3.1 23 * so4 oz * 00.0000 2 000.0000
+ 3.2 24 * hocl oy * 00.0000 2 000.0000
+ 3.2 27 * pd2+ oy * 00.0000 2 000.0000
+ 3.4 30 * lioh o* * 00.0000 2 000.0000
+ 3.4 30 * naoh o* * 00.0000 2 000.0000
+ 3.4 30 * koh o* * 00.0000 2 000.0000
+ 3.4 30 * foh o* * 00.0000 2 000.0000
+ 3.4 30 * cloh o* * 00.0000 2 000.0000
+ 3.4 33 * beoh o* * 00.0000 2 000.0000
+ 3.0 22 * cp no * 10.0000 2 180.0000
+ 1.0 1 * cp c' * 10.0000 2 180.0000
+ 1.0 1 * c c * 1.4225 3 0.0000
+ 1.0 1 * c c' * 0.0000 0 0.0000
+ 1.0 1 * c n * 0.0000 0 0.0000
+ 1.0 1 * c o * 0.3900 3 0.0000
+ 1.0 1 * c of * 0.3900 3 0.0000
+ 1.0 1 * c' n2 * 6.0000 2 180.0000
+ 1.0 1 * cr n2 * 13.6000 2 180.0000
+ 1.0 1 * n cr * 13.6000 2 180.0000
+ 1.0 1 * c' o * 4.5000 2 180.0000
+ 1.0 1 * cp cp * 12.0000 2 180.0000
+ 1.0 1 * cp c * 0.0000 2 0.0000
+ 1.9 17 cp cp c cp 0.6750 4 0.0000
+ 1.0 1 * ct ct * 0.0000 0 0.0000
+ 1.0 1 * c ct * 0.0000 0 0.0000
+ 1.0 1 * c' ct * 0.0000 0 0.0000
+ 1.0 1 * o ct * 0.0000 0 0.0000
+ 1.0 1 * n ct * 0.0000 0 0.0000
+ 1.0 1 * s ct * 0.0000 0 0.0000
+ 1.0 1 * cp ct * 0.0000 0 0.0000
+ 1.0 1 * ct nt * 0.0000 0 0.0000
+ 1.3 5 * c nt * 0.0000 0 0.0000
+ 1.3 5 * c' nt * 0.0000 0 0.0000
+ 1.3 5 * o nt * 0.0000 0 0.0000
+ 1.3 5 * n nt * 0.0000 0 0.0000
+ 1.3 5 * s nt * 0.0000 0 0.0000
+ 1.3 5 * cp nt * 0.0000 0 0.0000
+ 1.0 1 * cp o * 1.5000 2 180.0000
+ 1.9 16 cp cp o c 1.8000 2 180.0000
+ 1.0 1 * cp of * 3.5000 2 180.0000
+ 1.0 1 * c sh * 0.4200 3 0.0000
+ 1.0 1 * c s * 0.4200 3 0.0000
+ 1.0 1 * s s * 5.5000 2 0.0000
+ 1.0 1 * n3 c * 0.8000 3 0.0000
+ 1.0 1 * n2 c * 0.0000 0 0.0000
+ 1.0 1 * cp np * 4.0000 2 180.0000
+ 1.0 1 * cp n2 * 10.0000 2 180.0000
+ 1.0 1 * cp n * 10.0000 2 180.0000
+ 1.0 1 * p o * 0.7500 3 0.0000
+ 1.0 1 * c= np * 4.0000 2 180.0000
+ 2.0 19 * c=1 np * 4.0000 2 180.0000
+ 2.0 19 * c=2 np * 4.0000 2 180.0000
+ 1.0 1 * c= c= * 16.3000 2 180.0000
+ 2.0 19 * c=1 c= * 16.3000 2 180.0000
+ 2.0 19 * c=2 c= * 16.3000 2 180.0000
+ 2.0 19 * c=1 c=1 * 16.3000 2 180.0000
+ 2.0 19 * c=1 c=2 * 16.3000 2 180.0000
+ 2.0 19 * c=2 c=2 * 16.3000 2 180.0000
+ 1.0 1 * c= c * 1.2660 3 0.0000
+ 2.0 19 * c=1 c * 1.2660 3 0.0000
+ 2.0 19 * c=2 c * 1.2660 3 0.0000
+ 1.0 1 * np c * 0.0000 0 0.0000
+ 1.0 1 * c' c= * 1.8000 2 180.0000
+ 2.0 19 * c' c=1 * 1.8000 2 180.0000
+ 2.0 19 * c' c=2 * 1.8000 2 180.0000
+ 1.3 6 * cs cp * 6.0000 2 180.0000
+ 1.3 6 cs sp cs cp 12.0000 2 180.0000
+ 1.3 6 cs sp cs h 3.9316 2 180.0000
+ 1.3 6 sp cs cp cp 6.4517 2 180.0000
+ 1.3 6 sp cs cp h 2.0000 2 180.0000
+ 1.0 1 c c' n c 3.2000 2 180.0000
+ 1.0 1 c c' n hn 1.2000 2 180.0000
+ 1.0 1 o' c' n c 3.8000 2 180.0000
+ 1.0 1 o' c' n hn 1.8000 2 180.0000
+ 1.0 1 h c' n c 3.2000 2 180.0000
+ 1.0 1 h c si c 0.4000 3 0.0000
+ 1.0 1 h c si h 0.2800 3 0.0000
+ 1.0 1 c si c si -1.7000 3 0.0000
+ 1.0 1 h si c si 1.0000 3 0.0000
+ 1.0 1 h c si o -0.1000 3 0.0000
+ 1.0 1 c si o si 0.4000 3 0.0000
+ 1.0 1 h si o si 1.0000 3 0.0000
+ 1.0 1 si o si o 0.3000 3 0.0000
+ 1.0 1 o si o c 0.1000 3 0.0000
+ 1.0 1 h si o c -0.1000 3 0.0000
+ 1.0 1 si o c h 0.7000 3 0.0000
+! 1.6 12 $$ N$3 C$3 O$3 0.0000 0 0.0000
+! 1.0 1 $$ C$1 C$1 $$ 1.4225 3 0.0000
+! 1.0 1 $$ C$2 C$2 $$ 12.0000 2 180.0000
+! 1.0 1 $$ C$3 C$3 $$ 16.3000 2 180.0000
+! 1.0 1 $$ C$5 C$5 $$ 0.0000 2 180.0000
+! 1.0 1 $$ C$1 C$5 $$ 0.0000 2 180.0000
+! 1.0 1 $$ C$1 O$1 $$ 0.3900 3 0.0000
+! 1.0 1 $$ C$1 N$1 $$ 0.3000 3 0.0000
+! 1.0 1 $$ C$2 N$2 $$ 4.0000 2 180.0000
+! 1.0 1 $$ C$3 N$3 $$ 16.3000 2 180.0000
+! 1.0 1 $$ C$5 N$5 $$ 0.0000 2 180.0000
+! 1.0 1 $$ C$1 S$1 $$ 0.4200 3 0.0000
+! 1.0 1 $$ S$1 S$1 $$ 5.5000 2 0.0000
+! 1.0 1 $$ O$1 O$1 $$ 0.3900 3 0.0000
+! 1.0 1 $$ O$1 N$1 $$ 0.3900 3 0.0000
+! 1.0 1 $$ O$1 P$1 $$ 0.7500 2 180.0000
+! 1.0 1 $$ N$1 N$1 $$ 0.3000 3 0.0000
+
+#angle-angle-torsion_1 cvff
+
+> E = K * (Theta - Theta0) * (Theta' - Theta0') * cos(Phi)
+!Ver Ref I J K L K(Ang,Ang,Tor)
+!---- --- ---- ---- ---- ---- --------------
+ 1.0 1 * c c * -10.5000
+ 1.0 1 * c c' * 0.0000
+ 1.0 1 * c n * 0.0000
+ 1.0 1 * c o * 0.0000
+ 1.0 1 * c of * 0.0000
+ 1.0 1 * c' n2 * 0.0000
+ 1.0 1 * cr n2 * 0.0000
+ 1.0 1 * n cr * 0.0000
+ 1.0 1 * c' o * 0.0000
+ 1.0 1 * cp cp * -8.5000
+ 1.0 1 * cp c * 0.0000
+ 1.0 1 * ct ct * 0.0000
+ 1.0 1 * c ct * 0.0000
+ 1.0 1 * c' ct * 0.0000
+ 1.0 1 * o ct * 0.0000
+ 1.0 1 * n ct * 0.0000
+ 1.0 1 * s ct * 0.0000
+ 1.0 1 * cp ct * 0.0000
+ 1.0 1 * ct nt * 0.0000
+ 1.0 1 * cp o * 0.0000
+ 1.0 1 * cp of * 0.0000
+ 1.0 1 * c sh * -10.5000
+ 1.0 1 * c s * -10.5000
+ 1.0 1 * s s * 0.0000
+ 1.0 1 * n3 c * -10.5000
+ 1.0 1 * n2 c * 0.0000
+ 1.0 1 * cp np * 0.0000
+ 1.0 1 * cp n2 * 0.0000
+ 1.0 1 * cp n * 0.0000
+ 1.0 1 * cp c' * 0.0000
+ 1.0 1 * p o * 0.0000
+ 1.0 1 * c= np * 0.0000
+ 2.0 19 * c=1 np * 0.0000
+ 2.0 19 * c=2 np * 0.0000
+ 1.0 1 * c= c= * 0.0000
+ 2.0 19 * c=1 c= * 0.0000
+ 2.0 19 * c=2 c= * 0.0000
+ 2.0 19 * c=1 c=1 * 0.0000
+ 2.0 19 * c=1 c=2 * 0.0000
+ 2.0 19 * c=2 c=2 * 0.0000
+ 1.0 1 * c= c * 0.0000
+ 2.0 19 * c=1 c * 0.0000
+ 2.0 19 * c=2 c * 0.0000
+ 1.0 1 * np c * 0.0000
+ 1.0 1 * c' c= * 0.0000
+ 2.0 19 * c' c=1 * 0.0000
+ 2.0 19 * c' c=2 * 0.0000
+ 1.3 6 * cs cp * -8.5000
+ 1.3 6 cs sp cs cp -8.5000
+ 1.3 6 cs sp cs h -8.5000
+ 1.3 6 sp cs cp cp -8.5000
+ 1.3 6 sp cs cp h -8.5000
+ 1.0 1 c c' n c -8.0000
+ 1.0 1 c c' n hn -12.0000
+ 1.0 1 o' c' n c -8.0000
+ 1.0 1 o' c' n hn -12.0000
+ 1.0 1 h c' n c -8.0000
+ 1.0 1 h c si c 0.0000
+ 1.0 1 h c si h 0.0000
+ 1.0 1 c si c si 0.0000
+ 1.0 1 h si c si 0.0000
+ 1.0 1 h c si o 0.0000
+ 1.0 1 c si o si 0.0000
+ 1.0 1 h si o si 0.0000
+ 1.0 1 si o si o 0.0000
+ 1.0 1 o si o c 0.0000
+ 1.0 1 h si o c 0.0000
+ 1.0 1 si o c h 0.0000
+
+#out_of_plane cvff
+
+> E = Kchi * [ 1 + cos(n*Chi - Chi0) ]
+
+!Ver Ref I J K L Kchi n Chi0
+!---- --- ---- ---- ---- ---- ------- ------ -------
+ 3.0 22 c' cp cp cp 10.0000 2 180.0000
+ 3.0 22 cp c' o' o' 10.0000 2 180.0000
+ 3.0 22 cp no o' o' 10.0000 2 180.0000
+ 3.0 22 cp cp cp no 10.0000 2 180.0000
+ 1.0 1 c c' n o' 10.0000 2 180.0000
+ 1.0 1 c' n c hn 0.0500 2 180.0000
+ 1.0 1 c c' n2 o' 10.0000 2 180.0000
+ 1.0 1 h c' n2 o' 10.0000 2 180.0000
+ 1.0 1 hn n2 c' hn 0.0500 2 180.0000
+ 1.0 1 c c' o' o' 11.6000 2 180.0000
+ 1.0 1 h c' o' o' 11.6000 2 180.0000
+ 1.0 1 c' n c c 0.0500 2 180.0000
+ 1.0 1 h c' o' n 0.0500 2 180.0000
+ 1.0 1 cp cp cp h 0.3700 2 180.0000
+ 1.0 1 cp cp cp c 0.3700 2 180.0000
+ 1.0 1 cp cp cp cp 0.3700 2 180.0000
+ 1.0 1 cp cp cp o' 0.0000 2 180.0000
+ 1.0 1 cp cp h np 0.3700 2 180.0000
+ 1.0 1 h cp np np 0.3700 2 180.0000
+ 1.0 1 cp cp cp np 0.3700 2 180.0000
+ 1.0 1 n2 cp np np 0.3700 2 180.0000
+ 1.0 1 cp n2 hn hn 0.0000 2 180.0000
+ 1.0 1 n c' n2 n2 10.0000 2 180.0000
+ 1.0 1 hn np cp cp 0.3700 2 180.0000
+ 1.0 1 c cp cp np 0.3700 2 180.0000
+ 1.0 1 n2 cp cp np 0.3700 2 180.0000
+ 1.0 1 c= c' n2 o' 10.0000 2 180.0000
+ 1.0 1 c c= c' c= 11.1000 2 180.0000
+ 1.0 1 h c= np c= 11.1000 2 180.0000
+ 1.0 1 h c= c c= 11.1000 2 180.0000
+ 1.0 1 c np cp cp 0.3700 2 180.0000
+ 1.0 1 cp cp np np 0.3700 2 180.0000
+ 1.3 6 sp cs cp h 2.9998 2 180.0000
+ 1.3 6 cp cp cs h 0.3700 2 180.0000
+ 1.3 7 h c' s' h 7.5300 2 180.0000
+ 1.3 7 c c' c s' 7.5300 2 180.0000
+
+#out_of_plane-out_of_plane cvff
+
+> E = Koo * Chi * Chi'
+
+!Ver Ref I J K L Koo
+!---- --- ---- ---- ---- ---- -------
+ 1.0 1 c c' n o' 0.0100
+ 1.0 1 c' n c hn 0.0100
+ 1.0 1 c c' n2 o' 0.0100
+ 1.0 1 h c' n2 o' 0.0100
+ 1.0 1 hn n2 c' hn 0.0100
+ 1.0 1 c c' o' o' 0.0000
+ 1.0 1 h c' o' o' 0.0000
+ 1.0 1 c' n c c 0.0000
+ 1.0 1 h c' o' n 0.0000
+ 1.0 1 cp cp cp h 0.0000
+ 1.0 1 cp cp cp c 0.0000
+ 1.0 1 cp cp cp cp 0.0000
+ 1.0 1 cp cp cp o' 0.0000
+ 1.0 1 cp cp h np 0.0000
+ 1.0 1 h cp np np 0.0000
+ 1.0 1 cp cp cp np 0.0000
+ 1.0 1 n2 cp np np 0.0000
+ 1.0 1 cp n2 hn hn 0.0000
+ 1.0 1 n c' n2 n2 0.0100
+ 1.0 1 hn np cp cp 0.0000
+ 1.0 1 c cp cp np 0.0000
+ 1.0 1 n2 cp cp np 0.0000
+ 1.0 1 c= c' n2 o' 0.0100
+ 1.0 1 c c= c' c= 0.0000
+ 1.0 1 h c= np c= 0.0000
+ 1.0 1 h c= c c= 0.0000
+ 1.0 1 c np cp cp 0.0000
+ 1.0 1 cp cp np np 0.0000
+ 1.3 6 sp cs cp h 0.0000
+ 1.3 6 cp cp cs h 0.0000
+
+#angle-angle cvff
+
+> E = K * (Theta - Theta0) * (Theta' - Theta0')
+
+! J' I' K'
+!Ver Ref I J K K
+!---- --- ---- ---- ---- ---- -------
+ 1.0 1 c c c c -7.9000
+ 1.0 1 h c h h 0.0000
+ 1.0 1 h c h c 0.0000
+ 1.0 1 h c c h -7.9000
+ 1.0 1 h c c c -7.9000
+ 1.0 1 c c h c 0.0000
+ 1.0 1 h c h c' 0.0000
+ 1.0 1 h c c' h -7.5000
+ 1.0 1 c' n hn c 0.0000
+ 1.0 1 c' n c hn -7.5000
+ 1.0 1 c n c' hn 0.0000
+ 1.0 1 c c n h -7.9000
+ 1.0 1 c c h n -7.9000
+ 1.0 1 h c c n -7.9000
+ 1.0 1 c c c' h -7.9000
+ 1.0 1 c c h c' 0.0000
+ 1.0 1 c' c c h -7.9000
+ 1.0 1 n c h c' -7.9000
+ 1.0 1 n c c' h -7.9000
+ 1.0 1 c' c n h -7.9000
+ 1.0 1 n c c c' -7.9000
+ 1.0 1 n c c' c -7.9000
+ 1.0 1 c c n c' -7.9000
+ 1.0 1 c c' o' n 0.0000
+ 1.0 1 c c' n o' -7.5000
+ 1.0 1 n c' c o' 0.0000
+ 1.0 1 h c n h -7.5000
+ 1.0 1 h c h n 0.0000
+ 1.0 1 h c o h 0.0000
+ 1.0 1 h c h o 0.0000
+ 1.0 1 h c c o 0.0000
+ 1.0 1 h c o c 0.0000
+ 1.0 1 c c h o 0.0000
+ 1.0 1 c c c o 0.0000
+ 1.0 1 c c o c 0.0000
+ 1.0 1 hn n c' hn 0.0000
+ 1.0 1 hn n hn c' 0.0000
+ 1.0 1 c c' o' o 0.0000
+ 1.0 1 c c' o o' 0.0000
+ 1.0 1 o c' c o' 0.0000
+ 1.0 1 o' c' h o 0.0000
+ 1.0 1 h c' o' o 0.0000
+ 1.0 1 h c' o o' 0.0000
+ 1.0 1 h c' o- o- 0.0000
+ 1.0 1 o- c' h o- 0.0000
+ 1.0 1 c c' o- o- 0.0000
+ 1.0 1 o- c' c o- 0.0000
+ 1.0 1 c' n c c 10.0000
+ 1.0 1 c n c' c 10.0000
+ 1.0 1 h c' o' n 0.0000
+ 1.0 1 o' c' n h 0.0000
+ 1.0 1 o' c' h n 0.0000
+ 1.0 1 cp cp h cp 14.0000
+ 1.0 1 cp cp cp h 10.0000
+ 1.0 1 cp c h h 0.0000
+ 1.0 1 h c cp h -7.9000
+ 1.0 1 cp cp c cp 0.0000
+ 1.0 1 c cp cp cp 0.0000
+ 1.0 1 cp c c h -7.9000
+ 1.0 1 h c cp c -7.9000
+ 1.0 1 cp c h c 0.0000
+ 1.0 1 cp cp cp o 0.0000
+ 1.0 1 cp cp o cp 0.0000
+ 1.0 1 h c s h -10.0000
+ 1.0 1 h c sh h -10.0000
+ 1.0 1 s c h h 0.0000
+ 1.0 1 sh c h h 0.0000
+ 1.0 1 h c s c 0.0000
+ 1.0 1 h c sh c 0.0000
+ 1.0 1 c c h s 0.0000
+ 1.0 1 c c h sh 0.0000
+ 1.0 1 h c c s 0.0000
+ 1.0 1 h c c sh 0.0000
+ 1.0 1 c c h n3 0.0000
+ 1.0 1 hn n3 hn hn 0.0000
+ 1.0 1 c c n3 h 0.0000
+ 1.0 1 h c c n3 0.0000
+ 1.0 1 h c h n3 0.0000
+ 1.0 1 h c n3 h 0.0000
+ 1.0 1 c n3 c hn 0.0000
+ 1.0 1 c n3 hn c 0.0000
+ 1.0 1 c n hn hn 0.0000
+ 1.0 1 hn n c hn 0.0000
+ 1.0 1 c n3 hn hn 0.0000
+ 1.0 1 hn n3 c hn 0.0000
+ 1.0 1 c n3 c c 0.0000
+ 1.0 1 h cp cp np 0.0000
+ 1.0 1 h cp np cp 0.0000
+ 1.0 1 cp cp h np 0.0000
+ 1.0 1 np cp h np 0.0000
+ 1.0 1 np cp np h 0.0000
+ 1.0 1 cp np hn cp 0.0000
+ 1.0 1 cp np cp hn 0.0000
+ 1.0 1 cp cp h c5 0.0000
+ 1.0 1 h cp cp c5 0.0000
+ 1.0 1 h cp c5 cp 0.0000
+ 1.0 1 c5 c5 c5 cp 0.0000
+ 1.0 1 c5 c5 cp c5 0.0000
+ 1.0 1 np c5 cp c5 0.0000
+ 1.0 1 cp c5 np c5 0.0000
+ 1.0 1 cp c5 c5 np 0.0000
+ 1.0 1 hn np c5 c5 0.0000
+ 1.0 1 c5 np hn c5 0.0000
+ 1.0 1 h c5 np c5 0.0000
+ 1.0 1 np c5 h c5 0.0000
+ 1.0 1 h c5 c5 np 0.0000
+ 1.0 1 h c5 c5 c5 0.0000
+ 1.0 1 c5 c5 h c5 0.0000
+ 1.0 1 h c c c5 0.0000
+ 1.0 1 h c c5 c 0.0000
+ 1.0 1 c c h c5 0.0000
+ 1.0 1 h c c5 h 0.0000
+ 1.0 1 h c h c5 0.0000
+ 1.0 1 c5 c5 c c5 0.0000
+ 1.0 1 c c5 c5 c5 0.0000
+ 1.0 1 np c5 c c5 0.0000
+ 1.0 1 c c5 np c5 0.0000
+ 1.0 1 c c5 c5 np 0.0000
+ 1.0 1 h c5 np np 0.0000
+ 1.0 1 np c5 h np 0.0000
+ 1.0 1 n c' n n 0.0000
+ 1.0 1 np cp np n 0.0000
+ 1.0 1 np cp n np -8.0000
+ 1.0 1 cp n hn hn 0.0000
+ 1.0 1 hn n cp hn -8.0000
+ 1.0 1 c c n3 c' -7.9000
+ 1.0 1 c c c' n3 -7.9000
+ 1.0 1 c' c c n3 -7.9000
+ 1.0 1 h c n3 c' -7.9000
+ 1.0 1 h c c' n3 -7.9000
+ 1.0 1 c' c h n3 -7.9000
+ 1.0 1 n cp np cp 0.0000
+ 1.0 1 n cp cp np 0.0000
+ 1.0 1 cp cp n np 0.0000
+ 1.0 1 h c cp cp 0.0000
+ 1.0 1 cp c h cp 0.0000
+ 1.0 1 o' c' n c= 0.0000
+ 1.0 1 o' c' c= n 0.0000
+ 1.0 1 n c' o' c= 0.0000
+ 1.0 1 c c= c' c= 0.0000
+ 1.0 1 c' c= c c= 0.0000
+ 1.0 1 c c= c= c' 0.0000
+ 1.0 1 h c c= c= 0.0000
+ 1.0 1 h c c= h 0.0000
+ 1.0 1 c= c h c= 0.0000
+ 1.0 1 h c h c= 0.0000
+ 1.0 1 h c= c= np 0.0000
+ 1.0 1 np c= h c= 0.0000
+ 1.0 1 h c= np c= 0.0000
+ 1.0 1 h c= c c= 0.0000
+ 1.0 1 h c= c= c 0.0000
+ 1.0 1 c c= h c= 0.0000
+ 1.0 1 c np c= c= 0.0000
+ 1.0 1 c= np c c= 0.0000
+ 1.0 1 h c n c= 0.0000
+ 1.0 1 c= c h n 0.0000
+ 1.0 1 c' c n c= 0.0000
+ 1.0 1 h c c= n 0.0000
+ 1.0 1 c' c c= n 0.0000
+ 1.0 1 c= c c' n 0.0000
+ 1.0 1 c' c h c= 0.0000
+ 1.0 1 h c c= c' 0.0000
+ 1.0 1 h c c' c= 0.0000
+ 1.0 1 c c np o 0.0000
+ 1.0 1 h c np c 0.0000
+ 1.0 1 o c c np 0.0000
+ 1.0 1 h c c np 0.0000
+ 1.0 1 h c np o 0.0000
+ 1.0 1 c c o np 0.0000
+ 1.0 1 h c o np 0.0000
+ 1.0 1 c c h np 0.0000
+ 1.0 1 o c h np 0.0000
+ 1.0 1 c5 np c c5 0.0000
+ 1.0 1 c np c5 c5 0.0000
+ 1.0 1 np c5 c5 c5 0.0000
+ 1.0 1 np c5 np c5 0.0000
+ 1.0 1 n cp np c5 0.0000
+ 1.0 1 np cp n c5 0.0000
+ 1.0 1 n cp c5 np 0.0000
+ 1.0 1 np c5 c5 np 0.0000
+ 1.0 1 o- p o o- 0.0000
+ 1.0 1 o p o- o- 0.0000
+ 1.0 1 o- p o- o- 0.0000
+ 1.0 1 h p o- o- 30.0000
+ 1.0 1 o- p h o- 30.0000
+ 1.0 1 o' p o o 0.0000
+ 1.0 1 o' p o o' 0.0000
+ 1.0 1 o p o' o 0.0000
+ 1.0 1 o' p o' o 0.0000
+
+
+
+#morse_bond cvff_auto
+
+> E = D * (1 - exp(-ALPHA*(R - R0)))^2
+
+!Ver Ref I J R0 D ALPHA
+!---- --- ---- ---- ------- -------- -------
+ 2.0 18 c3m_ c3m_ 1.5100 88.0000 1.9150
+ 2.0 18 c3m_ c4m_ 1.5260 88.0000 1.9150
+ 2.0 18 c3m_ c_ 1.5260 88.0000 1.9150
+ 2.0 18 c3m_ c'_ 1.5200 76.0000 1.9300
+ 2.0 18 c3m_ cp_ 1.5100 76.0000 1.9300
+ 2.0 18 c3m_ c=_ 1.5000 80.7000 2.0000
+ 2.0 18 c3m_ c=_1 1.5000 80.7000 2.0000
+ 2.0 18 c3m_ c=_2 1.5000 80.7000 2.0000
+ 2.0 18 c3m_ c=_3 1.5000 80.7000 2.0000
+ 2.0 18 c3m_ ct_ 1.4000 85.0000 2.0000
+ 2.0 18 c3m_ na_ 1.4700 68.0000 2.2900
+ 2.0 18 c3m_ n3m_ 1.4850 68.0000 2.2900
+ 2.0 18 c3m_ n4m_ 1.4700 68.0000 2.2900
+ 2.0 18 c3m_ n_ 1.4600 72.0000 2.2900
+ 2.0 18 c3m_ np_ 1.4750 84.2000 2.0000
+ 2.0 18 c3m_ n=_ 1.4750 84.2000 2.0000
+ 2.0 18 c3m_ n=_1 1.4750 84.2000 2.0000
+ 2.0 18 c3m_ n=_2 1.4750 84.2000 2.0000
+ 2.0 18 c3m_ n=_3 1.4750 84.2000 2.0000
+ 2.0 18 c3m_ n+_ 1.4620 67.7209 2.0000
+ 2.0 18 c3m_ o_ 1.4250 68.3000 2.0000
+ 2.0 18 c3m_ o'_ 1.3800 79.7371 2.0000
+ 2.0 18 c3m_ o3e_ 1.4340 68.3000 2.0000
+ 2.0 18 c3m_ o4e_ 1.4250 68.3000 2.0000
+ 2.0 18 c3m_ op_ 1.3800 86.6371 2.0000
+ 2.0 18 c3m_ s_ 1.8000 57.0000 2.0000
+ 2.0 18 c3m_ sp_ 1.7700 60.6331 2.0000
+ 2.0 18 c3m_ s'_ 1.7700 64.3331 2.0000
+ 2.0 18 c3m_ s3e_ 1.8000 57.0000 2.0000
+ 2.0 18 c3m_ s4e_ 1.8000 57.0000 2.0000
+ 2.0 18 c3m_ h_ 1.1050 108.6000 1.7710
+ 2.0 18 c3m_ p_ 1.7500 62.2836 2.0000
+ 2.0 18 c3m_ f_ 1.3630 124.0000 2.0000
+ 2.0 18 c3m_ cl_ 1.7610 78.5000 2.0000
+ 2.0 18 c3m_ br_ 1.9200 55.9000 2.0000
+ 2.0 18 c3m_ si_ 1.8090 59.5000 2.0000
+ 2.0 18 c3m_ i_ 2.1200 50.0000 2.0000
+ 2.0 18 c4m_ c4m_ 1.5520 88.0000 1.9150
+ 2.0 18 c4m_ c_ 1.5260 88.0000 1.9150
+ 2.0 18 c4m_ c'_ 1.5200 76.0000 1.9300
+ 2.0 18 c4m_ cp_ 1.5100 76.0000 1.9300
+ 2.0 18 c4m_ c=_ 1.5000 80.7000 2.0000
+ 2.0 18 c4m_ c=_1 1.5000 80.7000 2.0000
+ 2.0 18 c4m_ c=_2 1.5000 80.7000 2.0000
+ 2.0 18 c4m_ c=_3 1.5000 80.7000 2.0000
+ 2.0 18 c4m_ ct_ 1.4000 85.0000 2.0000
+ 2.0 18 c4m_ na_ 1.4700 68.0000 2.2900
+ 2.0 18 c4m_ n3m_ 1.4700 68.0000 2.2900
+ 2.0 18 c4m_ n4m_ 1.4670 68.0000 2.2900
+ 2.0 18 c4m_ n_ 1.4600 72.0000 2.2900
+ 2.0 18 c4m_ np_ 1.4750 84.2000 2.0000
+ 2.0 18 c4m_ n=_ 1.4750 84.2000 2.0000
+ 2.0 18 c4m_ n=_1 1.4750 84.2000 2.0000
+ 2.0 18 c4m_ n=_2 1.4750 84.2000 2.0000
+ 2.0 18 c4m_ n=_3 1.4750 84.2000 2.0000
+ 2.0 18 c4m_ n+_ 1.4620 67.7209 2.0000
+ 2.0 18 c4m_ o_ 1.4250 68.3000 2.0000
+ 2.0 18 c4m_ o'_ 1.3800 79.7371 2.0000
+ 2.0 18 c4m_ o3e_ 1.4250 68.3000 2.0000
+ 2.0 18 c4m_ o4e_ 1.4462 68.3000 2.0000
+ 2.0 18 c4m_ op_ 1.3800 86.6371 2.0000
+ 2.0 18 c4m_ s_ 1.8000 57.0000 2.0000
+ 2.0 18 c4m_ sp_ 1.7700 60.6331 2.0000
+ 2.0 18 c4m_ s'_ 1.7700 64.3331 2.0000
+ 2.0 18 c4m_ s3e_ 1.8000 57.0000 2.0000
+ 2.0 18 c4m_ s4e_ 1.8470 57.0000 2.0000
+ 2.0 18 c4m_ h_ 1.1050 108.6000 1.7710
+ 2.0 18 c4m_ p_ 1.7500 62.2836 2.0000
+ 2.0 18 c4m_ f_ 1.3630 124.0000 2.0000
+ 2.0 18 c4m_ cl_ 1.7610 78.5000 2.0000
+ 2.0 18 c4m_ br_ 1.9200 55.9000 2.0000
+ 2.0 18 c4m_ si_ 1.8090 59.5000 2.0000
+ 2.0 18 c4m_ i_ 2.1200 50.0000 2.0000
+ 2.0 18 c_ n3m_ 1.4700 68.0000 2.2900
+ 2.0 18 c_ n4m_ 1.4700 68.0000 2.2900
+ 2.0 18 c'_ n3m_ 1.4460 68.0000 2.0000
+ 2.0 18 c'_ n4m_ 1.4000 83.0000 2.0000
+ 2.0 18 c'_ s3e_ 1.7700 58.0627 1.7361
+ 2.0 18 c'_ s4e_ 1.7700 58.0627 1.7361
+ 2.0 18 cp_ n3m_ 1.4200 70.0000 2.0000
+ 2.0 18 cp_ n4m_ 1.4200 70.0000 2.0000
+ 2.0 18 cp_ s3e 1.7300 57.0000 2.0000
+ 2.0 18 cp_ s4e 1.7300 57.0000 2.0000
+ 2.0 18 c=_ n3m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_ n4m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_1 n3m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_1 n4m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_2 n3m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_2 n4m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_3 n3m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_3 n4m_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_ s3e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_ s4e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_1 s3e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_1 s4e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_2 s3e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_2 s4e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_3 s3e_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_3 s4e_ 1.7750 63.7360 2.0000
+ 2.0 18 ct_ n3m_ 1.3820 71.7024 2.0000
+ 2.0 18 ct_ n4m_ 1.3820 71.7024 2.0000
+ 2.0 18 ct_ s3e_ 1.7200 67.8582 2.0000
+ 2.0 18 ct_ s4e_ 1.7200 67.8582 2.0000
+ 2.0 18 na_ n3m_ 1.3940 55.2000 2.0000
+ 2.0 18 na_ n4m_ 1.3940 55.2000 2.0000
+ 2.0 18 na_ s3e_ 1.7320 51.7351 2.0000
+ 2.0 18 na_ s4e_ 1.7320 51.7351 2.0000
+ 2.0 18 n3m_ n3m_ 1.3940 55.2000 2.0000
+ 2.0 18 n3m_ n4m_ 1.3940 55.2000 2.0000
+ 2.0 18 n3m_ n_ 1.3670 55.4242 2.0000
+ 2.0 18 n3m_ np_ 1.3670 68.6242 2.0000
+ 2.0 18 n3m_ n=_ 1.3670 68.6242 2.0000
+ 2.0 18 n3m_ n=_1 1.3670 68.6242 2.0000
+ 2.0 18 n3m_ n=_2 1.3670 68.6242 2.0000
+ 2.0 18 n3m_ n=_3 1.3670 68.6242 2.0000
+ 2.0 18 n3m_ n+_ 1.3940 52.7898 2.0000
+ 2.0 18 n3m_ o_ 1.3250 75.3375 2.0000
+ 2.0 18 n3m_ op_ 1.3120 68.5440 2.0000
+ 2.0 18 n3m_ o'_ 1.3120 61.6440 2.0000
+ 2.0 18 n3m_ s_ 1.7320 51.7351 2.0000
+ 2.0 18 n3m_ sp_ 1.7020 47.7438 2.0000
+ 2.0 18 n3m_ s'_ 1.7020 51.4438 2.0000
+ 2.0 18 n3m_ s3e_ 1.7320 51.7351 2.0000
+ 2.0 18 n3m_ s4e_ 1.7320 51.7351 2.0000
+ 2.0 18 n3m_ p_ 1.6820 52.6350 2.0000
+ 2.0 18 n3m_ h_ 1.0260 88.0000 2.2800
+ 2.0 18 n3m_ f_ 1.3520 50.2463 2.0000
+ 2.0 18 n3m_ cl_ 1.6890 56.6065 2.0000
+ 2.0 18 n3m_ br_ 1.8370 50.9585 2.0000
+ 2.0 18 n3m_ i_ 2.0230 46.0026 2.0000
+ 2.0 18 n3m_ si_ 1.7920 51.1059 2.0000
+ 2.0 18 n4m_ n4m_ 1.3940 55.2000 2.0000
+ 2.0 18 n4m_ n_ 1.3670 55.4242 2.0000
+ 2.0 18 n4m_ np_ 1.3670 68.6242 2.0000
+ 2.0 18 n4m_ n=_ 1.3670 68.6242 2.0000
+ 2.0 18 n4m_ n=_1 1.3670 68.6242 2.0000
+ 2.0 18 n4m_ n=_2 1.3670 68.6242 2.0000
+ 2.0 18 n4m_ n=_3 1.3670 68.6242 2.0000
+ 2.0 18 n4m_ n+_ 1.3940 52.7898 2.0000
+ 2.0 18 n4m_ o_ 1.3250 75.3375 2.0000
+ 2.0 18 n4m_ op_ 1.3120 68.5440 2.0000
+ 2.0 18 n4m_ o'_ 1.3120 61.6440 2.0000
+ 2.0 18 n4m_ s_ 1.7320 51.7351 2.0000
+ 2.0 18 n4m_ sp_ 1.7020 47.7438 2.0000
+ 2.0 18 n4m_ s'_ 1.7020 51.4438 2.0000
+ 2.0 18 n4m_ s3e_ 1.7320 51.7351 2.0000
+ 2.0 18 n4m_ s4e_ 1.7320 51.7351 2.0000
+ 2.0 18 n4m_ p_ 1.6820 52.6350 2.0000
+ 2.0 18 n4m_ h_ 1.0260 88.0000 2.2800
+ 2.0 18 n4m_ f_ 1.3520 50.2463 2.0000
+ 2.0 18 n4m_ cl_ 1.6890 56.6065 2.0000
+ 2.0 18 n4m_ br_ 1.8370 50.9585 2.0000
+ 2.0 18 n4m_ i_ 2.0230 46.0026 2.0000
+ 2.0 18 n4m_ si_ 1.7920 51.1059 2.0000
+ 2.0 18 n_ s3e_ 1.7050 52.6552 2.0000
+ 2.0 18 n_ s4e_ 1.7050 52.6552 2.0000
+ 2.0 18 np_ s3e_ 1.7050 65.8552 2.0000
+ 2.0 18 np_ s4e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_ s3e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_ s4e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_1 s3e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_1 s4e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_2 s3e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_2 s4e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_3 s3e_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_3 s4e_ 1.7050 65.8552 2.0000
+ 2.0 18 o_ s3e_ 1.6930 72.0212 2.0000
+ 3.4 33 o_ beoh_ 1.4000 5.7634 1.0000
+ 2.0 18 o_ s4e_ 1.6930 72.0212 2.0000
+ 2.0 18 op_ s3e_ 1.6800 66.6937 2.0000
+ 2.0 18 op_ s4e_ 1.6800 66.6937 2.0000
+ 2.0 18 o'_ s3e_ 1.6500 59.8936 2.0000
+ 2.0 18 o'_ s4e_ 1.6500 59.8936 2.0000
+ 2.0 18 s_ s3e_ 2.1000 40.0000 2.0000
+ 2.0 18 s_ s4e_ 2.1000 40.0000 2.0000
+ 2.0 18 sp_ s3e_ 2.0400 43.7815 2.0000
+ 2.0 18 sp_ s4e_ 2.0400 43.7815 2.0000
+ 2.0 18 s'_ s3e_ 2.0400 47.4815 2.0000
+ 2.0 18 s'_ s4e_ 2.0400 47.4815 2.0000
+ 2.0 18 s3e_ s3e_ 2.0000 45.0000 2.0000
+ 2.0 18 s3e_ s4e_ 2.0000 45.0000 2.0000
+ 2.0 18 s3e_ p_ 2.0200 46.7198 2.0000
+ 2.0 18 s3e_ h_ 1.3300 87.5000 1.7700
+ 2.0 18 s3e_ f_ 1.6900 51.2046 2.0000
+ 2.0 18 s3e_ cl_ 2.0270 53.0203 2.0000
+ 2.0 18 s3e_ br_ 2.1750 46.9709 2.0000
+ 2.0 18 s3e_ i_ 2.3610 41.9406 2.0000
+ 2.0 18 s3e_ si_ 2.1300 44.3232 2.0000
+ 2.0 18 s4e_ s4e_ 2.0000 45.0000 2.0000
+ 2.0 18 s4e_ p_ 2.0200 46.7198 2.0000
+ 2.0 18 s4e_ h_ 1.3300 87.5000 1.7700
+ 2.0 18 s4e_ f_ 1.6900 51.2046 2.0000
+ 2.0 18 s4e_ cl_ 2.0270 53.0203 2.0000
+ 2.0 18 s4e_ br_ 2.1750 46.9709 2.0000
+ 2.0 18 s4e_ i_ 2.3610 41.9406 2.0000
+ 2.0 18 s4e_ si_ 2.1300 44.3232 2.0000
+ 2.0 18 c_ c_ 1.5260 88.0000 1.9150
+ 2.0 18 c_ c'_ 1.5200 76.0000 1.9300
+ 2.0 18 c_ cp_ 1.5100 76.0000 1.9300
+ 2.0 18 c_ c=_ 1.5000 80.7000 2.0000
+ 2.0 18 c_ c=_1 1.5000 80.7000 2.0000
+ 2.0 18 c_ c=_2 1.5000 80.7000 2.0000
+ 2.0 18 c_ c=_3 1.5000 80.7000 2.0000
+ 2.0 18 c_ ct_ 1.4000 85.0000 2.0000
+ 2.0 18 c_ na_ 1.4700 68.0000 2.2900
+ 2.0 18 c_ n_ 1.4600 72.0000 2.2900
+ 2.0 18 c_ np_ 1.4750 84.2000 2.0000
+ 2.0 18 c_ n=_ 1.4750 84.2000 2.0000
+ 2.0 18 c_ n=_1 1.4750 84.2000 2.0000
+ 2.0 18 c_ n=_2 1.4750 84.2000 2.0000
+ 2.0 18 c_ n=_3 1.4750 84.2000 2.0000
+ 2.0 18 c_ n+_ 1.4620 67.7209 2.0000
+ 2.0 18 c_ o_ 1.4250 68.3000 2.0000
+ 2.0 18 c_ op_ 1.3800 86.6371 2.0000
+ 2.0 18 c_ o'_ 1.3800 79.7371 2.0000
+ 2.0 18 c_ s_ 1.8000 57.0000 2.0000
+ 2.0 18 c_ sp_ 1.7700 60.6331 2.0000
+ 2.0 18 c_ s'_ 1.7700 64.3331 2.0000
+ 2.0 18 c_ h_ 1.1050 108.6000 1.7710
+ 2.0 18 c_ p_ 1.7500 62.2836 2.0000
+ 2.0 18 c_ f_ 1.3630 124.0000 2.0000
+ 2.0 18 c_ cl_ 1.7610 78.5000 2.0000
+ 2.0 18 c_ br_ 1.9200 55.9000 2.0000
+ 2.0 18 c_ si_ 1.8090 59.5000 2.0000
+ 2.0 18 c_ i_ 2.1200 50.0000 2.0000
+ 2.0 18 c'_ c'_ 1.5000 66.6000 2.0000
+ 2.0 18 c'_ cp_ 1.5000 71.0829 2.0000
+ 2.0 18 c'_ c=_ 1.5000 80.7000 2.0000
+ 2.0 18 c'_ c=_1 1.5000 80.7000 2.0000
+ 2.0 18 c'_ c=_2 1.5000 80.7000 2.0000
+ 2.0 18 c'_ c=_3 1.5000 80.7000 2.0000
+ 2.0 18 c'_ ct_ 1.4200 77.7873 2.0000
+ 2.0 18 c'_ n_ 1.3600 97.0000 2.0000
+ 2.0 18 c'_ n=_ 1.4050 74.0749 2.0000
+ 2.0 18 c'_ n=_1 1.4050 74.0749 2.0000
+ 2.0 18 c'_ n=_2 1.4050 74.0749 2.0000
+ 2.0 18 c'_ n=_3 1.4050 74.0749 2.0000
+ 2.0 18 c'_ np_ 1.4050 74.0749 2.0000
+ 2.0 18 c'_ o_ 1.3400 100.0000 2.0000
+ 2.0 18 c'_ o'_ 1.2200 145.0000 2.0600
+ 2.0 18 c'_ o-_ 1.2500 135.0000 2.0600
+ 2.0 18 c'_ op_ 1.3500 73.5252 2.0000
+ 2.0 18 c'_ s_ 1.7700 58.0627 1.7361
+ 2.0 18 c'_ s'_ 1.6110 169.3000 1.7361
+ 2.0 18 c'_ s-_ 1.6800 93.0000 1.7361
+ 2.0 18 c'_ sp_ 1.7400 53.8383 2.0000
+ 2.0 18 c'_ h_ 1.1050 108.6000 1.7710
+ 2.0 18 c'_ p_ 1.7200 60.3455 2.0000
+ 2.0 18 c'_ f_ 1.3900 54.4273 2.0000
+ 2.0 18 c'_ cl_ 1.7270 62.4647 2.0000
+ 2.0 18 c'_ br_ 1.8750 57.0702 2.0000
+ 2.0 18 c'_ si_ 1.8300 59.8388 2.0000
+ 2.0 18 c'_ i_ 2.0610 52.1506 2.0000
+ 2.0 18 cp_ cp_ 1.3900 120.0000 2.0000
+ 2.0 18 cp_ c=_ 1.5000 80.7000 2.0000
+ 2.0 18 cp_ c=_1 1.5000 80.7000 2.0000
+ 2.0 18 cp_ c=_2 1.5000 80.7000 2.0000
+ 2.0 18 cp_ c=_3 1.5000 80.7000 2.0000
+ 2.0 18 cp_ ct_ 1.4000 80.4179 2.0000
+ 2.0 18 cp_ na_ 1.4120 64.4438 2.0000
+ 2.0 18 cp_ n_ 1.4200 70.0000 2.0000
+ 2.0 18 cp_ n=_ 1.3850 79.0095 2.0000
+ 2.0 18 cp_ n=_1 1.3850 79.0095 2.0000
+ 2.0 18 cp_ n=_2 1.3850 79.0095 2.0000
+ 2.0 18 cp_ n=_3 1.3850 79.0095 2.0000
+ 2.0 18 cp_ np_ 1.3500 110.0000 2.0000
+ 2.0 18 cp_ n+_ 1.4120 62.8336 2.0000
+ 2.0 18 cp_ o_ 1.3700 96.0000 2.0000
+ 2.0 18 cp_ o'_ 1.3300 74.3713 2.0000
+ 2.0 18 cp_ op_ 1.3700 105.0000 2.0000
+ 2.0 18 cp_ s_ 1.7300 57.0000 2.0000
+ 2.0 18 cp_ s'_ 1.7200 59.9506 2.0000
+ 2.0 18 cp_ sp_ 1.7106 80.0000 2.0000
+ 2.0 18 cp_ h_ 1.0800 116.0000 1.7700
+ 2.0 18 cp_ p_ 1.7000 58.7607 2.0000
+ 2.0 18 cp_ f_ 1.3630 124.0000 2.0000
+ 2.0 18 cp_ cl_ 1.7610 78.5000 2.0000
+ 2.0 18 cp_ br_ 1.9200 55.9000 2.0000
+ 2.0 18 cp_ i_ 2.0410 54.3628 2.0000
+ 2.0 18 cp_ si_ 1.8100 56.2919 2.0000
+ 2.0 18 ci_ ci_ 1.3900 70.0000 2.0000
+ 2.0 18 ci_ ni_ 1.3800 80.0000 2.0000
+ 2.0 18 ci_ h_ 1.0800 116.0000 1.7700
+ 2.0 18 c=_ c=_ 1.3300 163.8000 2.0000
+ 2.0 18 c=_3 c=_3 1.3300 163.8000 2.0000
+ 2.0 18 c=_1 c=_3 1.3300 163.8000 2.0000
+ 2.0 18 c=_2 c=_2 1.4100 120.0000 2.0000
+ 2.0 18 c=_1 c=_2 1.4800 80.0000 2.0000
+ 2.0 18 c=_1 c=_1 1.4800 80.0000 2.0000
+ 2.0 18 c=_2 c=_3 1.4800 80.0000 2.0000
+ 2.0 18 c=_ ct_ 1.4250 84.4106 2.0000
+ 2.0 18 c=_ na_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_ n_ 1.4100 69.7685 2.0000
+ 2.0 18 c=_1 ct_ 1.4250 84.4106 2.0000
+ 2.0 18 c=_1 na_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_1 n_ 1.4100 69.7685 2.0000
+ 2.0 18 c=_2 ct_ 1.4250 84.4106 2.0000
+ 2.0 18 c=_2 na_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_2 n_ 1.4100 69.7685 2.0000
+ 2.0 18 c=_3 ct_ 1.4250 84.4106 2.0000
+ 2.0 18 c=_3 na_ 1.4370 68.4292 2.0000
+ 2.0 18 c=_3 n_ 1.4100 69.7685 2.0000
+ 2.0 18 c=_ n=_ 1.2600 140.0000 2.0000
+ 2.0 18 c=_3 n=_3 1.2600 140.0000 2.0000
+ 2.0 18 c=_1 n=_3 1.2600 140.0000 2.0000
+ 2.0 18 c=_3 n=_1 1.2600 140.0000 2.0000
+ 2.0 18 c=_2 n=_2 1.3430 123.3817 2.0000
+ 2.0 18 c=_1 n=_2 1.4100 82.9685 2.0000
+ 2.0 18 c=_2 n=_1 1.4100 82.9685 2.0000
+ 2.0 18 c=_1 n=_1 1.4100 82.9685 2.0000
+ 2.0 18 c=_3 n=_2 1.4100 82.9685 2.0000
+ 2.0 18 c=_2 n=_3 1.4100 82.9685 2.0000
+ 2.0 18 c=_ np_ 1.4100 82.9685 2.0000
+ 2.0 18 c=_ o_ 1.3680 88.7997 2.0000
+ 2.0 18 c=_ op_ 1.3550 85.1279 2.0000
+ 2.0 18 c=_ o'_ 1.3550 78.2279 2.0000
+ 2.0 18 c=_ h_ 1.0900 90.4000 2.0000
+ 2.0 18 c=_ p_ 1.7250 62.7497 2.0000
+ 2.0 18 c=_ s_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_ sp_ 1.7450 60.2470 2.0000
+ 2.0 18 c=_ s'_ 1.7450 63.9470 2.0000
+ 2.0 18 c=_ f_ 1.3950 71.2830 2.0000
+ 2.0 18 c=_ cl_ 1.7320 69.6283 2.0000
+ 2.0 18 c=_ br_ 1.8800 63.4252 2.0000
+ 2.0 18 c=_ i_ 2.0660 58.3608 2.0000
+ 2.0 18 c=_ si_ 1.8350 60.2606 2.0000
+ 2.0 18 c=_1 np_ 1.4100 82.9685 2.0000
+ 2.0 18 c=_1 o_ 1.3680 88.7997 2.0000
+ 2.0 18 c=_1 op_ 1.3550 85.1279 2.0000
+ 2.0 18 c=_1 o'_ 1.3550 78.2279 2.0000
+ 2.0 18 c=_1 h_ 1.0900 90.4000 2.0000
+ 2.0 18 c=_1 p_ 1.7250 62.7497 2.0000
+ 2.0 18 c=_1 s_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_1 sp_ 1.7450 60.2470 2.0000
+ 2.0 18 c=_1 s'_ 1.7450 63.9470 2.0000
+ 2.0 18 c=_1 f_ 1.3950 71.2830 2.0000
+ 2.0 18 c=_1 cl_ 1.7320 69.6283 2.0000
+ 2.0 18 c=_1 br_ 1.8800 63.4252 2.0000
+ 2.0 18 c=_1 i_ 2.0660 58.3608 2.0000
+ 2.0 18 c=_1 si_ 1.8350 60.2606 2.0000
+ 2.0 18 c=_2 np_ 1.4100 82.9685 2.0000
+ 2.0 18 c=_2 o_ 1.3680 88.7997 2.0000
+ 2.0 18 c=_2 op_ 1.3550 85.1279 2.0000
+ 2.0 18 c=_2 o'_ 1.3550 78.2279 2.0000
+ 2.0 18 c=_2 h_ 1.0900 90.4000 2.0000
+ 2.0 18 c=_2 p_ 1.7250 62.7497 2.0000
+ 2.0 18 c=_2 s_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_2 sp_ 1.7450 60.2470 2.0000
+ 2.0 18 c=_2 s'_ 1.7450 63.9470 2.0000
+ 2.0 18 c=_2 f_ 1.3950 71.2830 2.0000
+ 2.0 18 c=_2 cl_ 1.7320 69.6283 2.0000
+ 2.0 18 c=_2 br_ 1.8800 63.4252 2.0000
+ 2.0 18 c=_2 i_ 2.0660 58.3608 2.0000
+ 2.0 18 c=_2 si_ 1.8350 60.2606 2.0000
+ 2.0 18 c=_3 np_ 1.4100 82.9685 2.0000
+ 2.0 18 c=_3 o_ 1.3680 88.7997 2.0000
+ 2.0 18 c=_3 op_ 1.3550 85.1279 2.0000
+ 2.0 18 c=_3 o'_ 1.3550 78.2279 2.0000
+ 2.0 18 c=_3 h_ 1.0900 90.4000 2.0000
+ 2.0 18 c=_3 p_ 1.7250 62.7497 2.0000
+ 2.0 18 c=_3 s_ 1.7750 63.7360 2.0000
+ 2.0 18 c=_3 sp_ 1.7450 60.2470 2.0000
+ 2.0 18 c=_3 s'_ 1.7450 63.9470 2.0000
+ 2.0 18 c=_3 f_ 1.3950 71.2830 2.0000
+ 2.0 18 c=_3 cl_ 1.7320 69.6283 2.0000
+ 2.0 18 c=_3 br_ 1.8800 63.4252 2.0000
+ 2.0 18 c=_3 i_ 2.0660 58.3608 2.0000
+ 2.0 18 c=_3 si_ 1.8350 60.2606 2.0000
+ 2.0 18 cr_ n=_ 1.2600 140.0000 2.0000
+ 2.0 18 cr_ n=_1 1.2600 140.0000 2.0000
+ 2.0 18 cr_ n=_2 1.2600 140.0000 2.0000
+ 2.0 18 cr_ n=_3 1.2600 140.0000 2.0000
+ 2.0 18 cr_ n_ 1.3200 97.0000 2.0000
+ 2.0 18 ct_ ct_ 1.2040 200.0000 2.0000
+ 2.0 18 ct_ nt_ 1.1580 220.0000 2.0000
+ 2.0 18 ct_ na_ 1.3820 71.7024 2.0000
+ 2.0 18 ct_ n_ 1.3550 72.3612 2.0000
+ 2.0 18 ct_ n=_ 1.3550 85.5612 2.0000
+ 2.0 18 ct_ n=_1 1.3550 85.5612 2.0000
+ 2.0 18 ct_ n=_2 1.3550 85.5612 2.0000
+ 2.0 18 ct_ n=_3 1.3550 85.5612 2.0000
+ 2.0 18 ct_ n+_ 1.3820 69.5942 2.0000
+ 2.0 18 ct_ o_ 1.3130 91.9541 2.0000
+ 2.0 18 ct_ s_ 1.7200 67.8582 2.0000
+ 2.0 18 ct_ op_ 1.3000 86.6170 2.0000
+ 2.0 18 ct_ o'_ 1.3000 79.7170 2.0000
+ 2.0 18 ct_ sp_ 1.6900 64.0086 2.0000
+ 2.0 18 ct_ s'_ 1.6900 67.7086 2.0000
+ 2.0 18 ct_ p_ 1.6700 68.3667 2.0000
+ 2.0 18 ct_ h_ 1.0530 101.1528 1.7700
+ 2.0 18 ct_ f_ 1.3400 69.5983 2.0000
+ 2.0 18 ct_ cl_ 1.6770 73.0488 2.0000
+ 2.0 18 ct_ br_ 1.8250 67.2132 2.0000
+ 2.0 18 ct_ i_ 2.0110 62.2317 2.0000
+ 2.0 18 ct_ si_ 1.7800 66.8241 2.0000
+ 2.0 18 na_ na_ 1.3940 55.2000 2.0000
+ 2.0 18 na_ n_ 1.3670 55.4242 2.0000
+ 2.0 18 na_ np_ 1.3670 68.6242 2.0000
+ 2.0 18 na_ n=_ 1.3670 68.6242 2.0000
+ 2.0 18 na_ n=_1 1.3670 68.6242 2.0000
+ 2.0 18 na_ n=_2 1.3670 68.6242 2.0000
+ 2.0 18 na_ n=_3 1.3670 68.6242 2.0000
+ 2.0 18 na_ n+_ 1.3940 52.7898 2.0000
+ 2.0 18 na_ o_ 1.3250 75.3375 2.0000
+ 2.0 18 na_ s_ 1.7320 51.7351 2.0000
+ 2.0 18 na_ op_ 1.3120 68.5440 2.0000
+ 2.0 18 na_ o'_ 1.3120 61.6440 2.0000
+ 2.0 18 na_ sp_ 1.7020 47.7438 2.0000
+ 2.0 18 na_ s'_ 1.7020 51.4438 2.0000
+ 2.0 18 na_ p_ 1.6820 52.6350 2.0000
+ 2.0 18 na_ h_ 1.0260 88.0000 2.2800
+ 2.0 18 na_ f_ 1.3520 50.2463 2.0000
+ 2.0 18 na_ cl_ 1.6890 56.6065 2.0000
+ 2.0 18 na_ br_ 1.8370 50.9585 2.0000
+ 2.0 18 na_ i_ 2.0230 46.0026 2.0000
+ 2.0 18 na_ si_ 1.7920 51.1059 2.0000
+ 2.0 18 n_ n_ 1.3400 55.0000 2.0000
+ 2.0 18 n_ np_ 1.3400 68.2000 2.0000
+ 2.0 18 n_ n=_ 1.3400 68.2000 2.0000
+ 2.0 18 n_ n=_1 1.3400 68.2000 2.0000
+ 2.0 18 n_ n=_2 1.3400 68.2000 2.0000
+ 2.0 18 n_ n=_3 1.3400 68.2000 2.0000
+ 2.0 18 n_ n+_ 1.3670 52.6590 2.0000
+ 2.0 18 n_ o_ 1.2980 75.3158 2.0000
+ 2.0 18 n_ s_ 1.7050 52.6552 2.0000
+ 2.0 18 n_ op_ 1.2850 66.7770 2.0000
+ 2.0 18 n_ o'_ 1.2850 59.8770 2.0000
+ 2.0 18 n_ sp_ 1.6750 48.3711 2.0000
+ 2.0 18 n_ s'_ 1.6750 52.0711 2.0000
+ 2.0 18 n_ p_ 1.6550 54.9881 2.0000
+ 2.0 18 n_ h_ 1.0260 93.0000 2.2800
+ 2.0 18 n_ f_ 1.3250 47.3464 2.0000
+ 2.0 18 n_ cl_ 1.6620 56.8901 2.0000
+ 2.0 18 n_ br_ 1.8100 51.5995 2.0000
+ 2.0 18 n_ i_ 1.9960 46.6743 2.0000
+ 2.0 18 n_ si_ 1.7650 54.2016 2.0000
+ 2.0 18 np_ np_ 1.3400 102.0000 2.0000
+ 2.0 18 np_ n=_ 1.3400 81.4000 2.0000
+ 2.0 18 np_ n=_1 1.3400 81.4000 2.0000
+ 2.0 18 np_ n=_2 1.3400 81.4000 2.0000
+ 2.0 18 np_ n=_3 1.3400 81.4000 2.0000
+ 2.0 18 np_ n+_ 1.3670 65.8590 2.0000
+ 2.0 18 np_ o_ 1.2980 88.5158 2.0000
+ 2.0 18 np_ o'_ 1.2850 73.0770 2.0000
+ 2.0 18 np_ o-_ 1.2850 79.9770 2.0000
+ 2.0 18 np_ op_ 1.2850 79.9770 2.0000
+ 2.0 18 np_ s_ 1.7050 65.8552 2.0000
+ 2.0 18 np_ s'_ 1.6750 65.2711 2.0000
+ 2.0 18 np_ sp_ 1.6750 61.5711 2.0000
+ 2.0 18 np_ p_ 1.6550 68.1881 2.0000
+ 2.0 18 np_ h_ 1.0260 93.0000 2.2800
+ 2.0 18 np_ f_ 1.3250 60.5464 2.0000
+ 2.0 18 np_ cl_ 1.6620 70.0901 2.0000
+ 2.0 18 np_ br_ 1.8100 64.7995 2.0000
+ 2.0 18 np_ i_ 1.9960 59.8743 2.0000
+ 2.0 18 np_ si_ 1.7650 67.4016 2.0000
+ 2.0 18 n=_ n=_ 1.2100 162.8000 2.0000
+ 2.0 18 n=_3 n=_3 1.2100 162.8000 2.0000
+ 2.0 18 n=_1 n=_3 1.2100 162.8000 2.0000
+ 2.0 18 n=_2 n=_2 1.2760 122.0000 2.0000
+ 2.0 18 n=_1 n=_2 1.3400 81.4000 2.0000
+ 2.0 18 n=_1 n=_1 1.3400 81.4000 2.0000
+ 2.0 18 n=_2 n=_3 1.3400 81.4000 2.0000
+ 2.0 18 n=_ n+_ 1.3670 65.8590 2.0000
+ 2.0 18 n=_ o_ 1.2980 88.5158 2.0000
+ 2.0 18 n=_1 n+_ 1.3670 65.8590 2.0000
+ 2.0 18 n=_1 o_ 1.2980 88.5158 2.0000
+ 2.0 18 n=_2 n+_ 1.3670 65.8590 2.0000
+ 2.0 18 n=_2 o_ 1.2980 88.5158 2.0000
+ 2.0 18 n=_3 n+_ 1.3670 65.8590 2.0000
+ 2.0 18 n=_3 o_ 1.2980 88.5158 2.0000
+ 2.0 18 n=_ o'_ 1.1600 143.9680 2.0000
+ 2.0 18 n=_1 o'_ 1.2850 73.0770 2.0000
+ 2.0 18 n=_2 o'_ 1.2225 108.5225 2.0000
+ 2.0 18 n=_3 o'_ 1.1600 143.9680 2.0000
+ 2.0 18 n= o-_ 1.2225 108.5225 2.0000
+ 2.0 18 n=_ op_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_1 op_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_2 op_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_3 op_ 1.2850 79.9770 2.0000
+ 2.0 18 n=_ s_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_1 s_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_2 s_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_3 s_ 1.7050 65.8552 2.0000
+ 2.0 18 n=_ sp_ 1.6750 61.5711 2.0000
+ 2.0 18 n=_1 sp_ 1.6750 61.5711 2.0000
+ 2.0 18 n=_2 sp_ 1.6750 61.5711 2.0000
+ 2.0 18 n=_3 sp_ 1.6750 61.5711 2.0000
+ 2.0 18 n=_ s'_ 1.5900 122.3100 2.0000
+ 2.0 18 n=_1 s'_ 1.6750 65.2711 2.0000
+ 2.0 18 n=_2 s'_ 1.6325 93.7906 2.0000
+ 2.0 18 n=_3 s'_ 1.5900 122.3100 2.0000
+ 2.0 18 n=_ p_ 1.6550 68.1881 2.0000
+ 2.0 18 n=_ h_ 1.0380 106.0338 2.2800
+ 2.0 18 n=_ f_ 1.3250 60.5464 2.0000
+ 2.0 18 n=_ cl_ 1.6620 70.0901 2.0000
+ 2.0 18 n=_ br_ 1.8100 64.7995 2.0000
+ 2.0 18 n=_ i_ 1.9960 59.8743 2.0000
+ 2.0 18 n=_ si_ 1.7650 67.4016 2.0000
+ 2.0 18 n=_1 p_ 1.6550 68.1881 2.0000
+ 2.0 18 n=_1 h_ 1.0380 106.0338 2.2800
+ 2.0 18 n=_1 f_ 1.3250 60.5464 2.0000
+ 2.0 18 n=_1 cl_ 1.6620 70.0901 2.0000
+ 2.0 18 n=_1 br_ 1.8100 64.7995 2.0000
+ 2.0 18 n=_1 i_ 1.9960 59.8743 2.0000
+ 2.0 18 n=_1 si_ 1.7650 67.4016 2.0000
+ 2.0 18 n=_2 p_ 1.6550 68.1881 2.0000
+ 2.0 18 n=_2 h_ 1.0380 106.0338 2.2800
+ 2.0 18 n=_2 f_ 1.3250 60.5464 2.0000
+ 2.0 18 n=_2 cl_ 1.6620 70.0901 2.0000
+ 2.0 18 n=_2 br_ 1.8100 64.7995 2.0000
+ 2.0 18 n=_2 i_ 1.9960 59.8743 2.0000
+ 2.0 18 n=_2 si_ 1.7650 67.4016 2.0000
+ 2.0 18 n=_3 p_ 1.6550 68.1881 2.0000
+ 2.0 18 n=_3 h_ 1.0380 106.0338 2.2800
+ 2.0 18 n=_3 f_ 1.3250 60.5464 2.0000
+ 2.0 18 n=_3 cl_ 1.6620 70.0901 2.0000
+ 2.0 18 n=_3 br_ 1.8100 64.7995 2.0000
+ 2.0 18 n=_3 i_ 1.9960 59.8743 2.0000
+ 2.0 18 n=_3 si_ 1.7650 67.4016 2.0000
+ 2.0 18 n+_ n+_ 1.3940 48.3901 2.0000
+ 2.0 18 n+_ o_ 1.3250 72.7505 2.0000
+ 2.0 18 n+_ s_ 1.7320 50.0292 2.0000
+ 2.0 18 n+_ op_ 1.3120 65.4265 2.0000
+ 2.0 18 n+_ o'_ 1.3120 58.5265 2.0000
+ 2.0 18 n+_ sp_ 1.7020 45.8238 2.0000
+ 2.0 18 n+_ s'_ 1.7020 49.5238 2.0000
+ 2.0 18 n+_ p_ 1.6820 52.2884 2.0000
+ 2.0 18 n+_ h_ 1.0650 88.7167 2.2800
+ 2.0 18 n+_ f_ 1.3520 44.5093 2.0000
+ 2.0 18 n+_ cl_ 1.6890 54.4312 2.0000
+ 2.0 18 n+_ br_ 1.8370 49.1485 2.0000
+ 2.0 18 n+_ i_ 2.0230 44.3191 2.0000
+ 2.0 18 n+_ si_ 1.7920 51.7353 2.0000
+ 2.0 18 nz_ nz_ 1.09758 226.8 2.6829
+ 2.0 18 nt_ nt_ 1.09758 226.8000 2.6829
+ 2.0 18 o_ o_ 1.20800 118.86 2.6484
+ 2.0 18 o_ s_ 1.6930 72.0212 2.0000
+ 2.0 18 o_ op_ 1.2430 87.6930 2.0000
+ 2.0 18 o_ o'_ 1.2430 80.7930 2.0000
+ 2.0 18 o_ sp_ 1.6330 67.9896 2.0000
+ 2.0 18 o_ s'_ 1.6330 71.6896 2.0000
+ 2.0 18 o_ p_ 1.6100 61.3000 2.0000
+ 2.0 18 o_ si_ 1.6650 98.2000 2.0000
+ 2.0 18 o_ h_ 0.9600 95.0000 2.2800
+ 2.0 18 o_ f_ 1.4180 56.0000 2.0000
+ 2.0 18 o_ cl_ 1.6500 76.7658 2.0000
+ 2.0 18 o_ br_ 1.7980 71.1997 2.0000
+ 2.0 18 o_ i_ 1.9840 66.2467 2.0000
+ 2.0 18 o'_ o'_ 1.1100 121.2000 2.0000
+ 2.0 18 o'_ op_ 1.2300 68.1000 2.0000
+ 2.0 18 o'_ s_ 1.5900 90.1047 2.0000
+ 2.0 18 o'_ sp_ 1.5600 85.3184 2.0000
+ 2.0 18 o'_ s'_ 1.5400 105.3797 2.0000
+ 2.0 18 o'_ p_ 1.4800 131.0000 2.0000
+ 2.0 18 o'_ h_ 0.9830 114.6152 2.0000
+ 2.0 18 o'_ f_ 1.2700 51.0126 2.0000
+ 2.0 18 o'_ cl_ 1.6070 62.9485 2.0000
+ 2.0 18 o'_ br_ 1.7550 58.3239 2.0000
+ 2.0 18 o'_ i_ 1.9410 53.3079 2.0000
+ 2.0 18 o'_ si_ 1.6500 113.6866 2.0000
+ 2.0 18 op_ op_ 1.2300 75.0000 2.0000
+ 2.0 18 op_ s_ 1.6800 66.6937 2.0000
+ 2.0 18 op_ sp_ 1.6500 61.9610 2.0000
+ 2.0 18 op_ s'_ 1.6200 65.7436 2.0000
+ 2.0 18 op_ p_ 1.6300 71.5226 2.0000
+ 2.0 18 op_ h_ 0.9830 121.5152 2.0000
+ 2.0 18 op_ f_ 1.2700 57.9126 2.0000
+ 2.0 18 op_ cl_ 1.6070 69.8485 2.0000
+ 2.0 18 op_ br_ 1.7550 65.2239 2.0000
+ 2.0 18 op_ i_ 1.9410 60.2079 2.0000
+ 2.0 18 op_ si 1.5870 73.0600 2.0000
+ 2.0 18 o-_ p_ 1.4800 107.0000 2.0000
+ 2.0 18 s_ s_ 2.0547 45.0000 2.0000
+ 2.0 18 s_ sp_ 2.0400 43.7815 2.0000
+ 2.0 18 s_ s'_ 2.0400 47.4815 2.0000
+ 2.0 18 s_ p_ 2.0200 46.7198 2.0000
+ 2.0 18 s_ h_ 1.3300 87.5000 1.7700
+ 2.0 18 s_ f_ 1.6900 51.2046 2.0000
+ 2.0 18 s_ cl_ 2.0270 53.0203 2.0000
+ 2.0 18 s_ br_ 2.1750 46.9709 2.0000
+ 2.0 18 s_ i_ 2.3610 41.9406 2.0000
+ 2.0 18 s_ si_ 2.1300 44.3232 2.0000
+ 2.0 18 s'_ s'_ 1.9700 80.0000 2.0000
+ 2.0 18 s'_ p_ 1.9700 63.8131 2.0000
+ 2.0 18 s'_ h_ 1.3730 79.2035 2.0000
+ 2.0 18 s'_ f_ 1.6600 48.8255 2.0000
+ 2.0 18 s'_ cl_ 1.9970 52.7842 2.0000
+ 2.0 18 s'_ br_ 2.1450 46.9004 2.0000
+ 2.0 18 s'_ i_ 2.3310 41.9068 2.0000
+ 2.0 18 s'_ si_ 2.0800 61.8936 2.0000
+ 2.0 18 s-_ p_ 1.9800 52.7450 2.0000
+ 2.0 18 sp_ sp_ 2.0100 40.0000 2.0000
+ 2.0 18 sp_ s'_ 1.9900 60.0000 2.0000
+ 2.0 18 sp_ p_ 1.9900 43.7949 2.0000
+ 2.0 18 sp_ h_ 1.3730 75.5035 1.7700
+ 2.0 18 sp_ f_ 1.6600 45.1255 2.0000
+ 2.0 18 sp_ cl_ 1.9970 49.0842 2.0000
+ 2.0 18 sp_ br_ 2.1450 43.2004 2.0000
+ 2.0 18 sp_ i_ 2.3310 38.2068 2.0000
+ 2.0 18 sp_ si_ 2.1000 41.8565 2.0000
+ 2.0 18 p_ p_ 1.9700 44.0000 2.0000
+ 2.0 18 p_ h_ 1.4300 56.0000 2.0000
+ 2.0 18 p_ f_ 1.5400 57.5916 2.0000
+ 2.0 18 p_ cl_ 2.0430 52.2057 2.0000
+ 2.0 18 p_ br_ 2.1800 45.7868 2.0000
+ 2.0 18 p_ i_ 2.3110 40.6770 2.0000
+ 2.0 18 p_ si_ 1.9170 42.0518 2.0000
+ 2.0 18 h_ h_ 0.74611 104.207 1.9561
+ 2.0 18 h_ f_ 1.0230 130.1826 2.0000
+ 2.0 18 h_ cl_ 1.3600 86.4756 2.0000
+ 2.0 18 h_ br_ 1.5080 78.5432 2.0000
+ 2.0 18 h_ i_ 1.6940 73.0108 2.0000
+ 2.0 18 h_ si_ 1.4630 72.0792 2.0000
+ 2.0 18 d_ d_ 0.74164 106.010 1.9382
+ 2.0 18 f_ f_ 1.4170 37.5 2.6284
+ 2.0 18 f_ cl_ 1.6470 51.7795 2.0000
+ 2.0 18 f_ br_ 1.7950 48.3750 2.0000
+ 2.0 18 f_ i_ 1.9810 43.5416 2.0000
+ 2.0 18 f_ si_ 1.5870 74.3350 2.0000
+ 2.0 18 cl_ cl_ 1.988 58.066 2.0183
+ 2.0 18 cl_ br_ 2.1320 52.2969 2.0000
+ 2.0 18 cl_ i_ 2.3180 47.3349 2.0000
+ 2.0 18 cl_ si_ 2.0870 51.9937 2.0000
+ 2.0 18 br_ br_ 2.290 46.336 1.9469
+ 2.0 18 br_ i_ 2.4660 41.4039 2.0000
+ 2.0 18 br_ si_ 2.2350 45.0580 2.0000
+ 2.0 18 i_ i_ 2.662 36.46 1.8383
+ 2.0 18 i_ si_ 2.4210 39.7416 2.0000
+ 2.0 18 si_ si_ 2.1900 36.0000 2.0000
+
+#quadratic_bond cvff_auto
+
+> E = K2 * (R - R0)^2
+
+!Ver Ref I J R0 K2
+!---- --- ---- ---- ------- --------
+ 2.0 18 c3m_ c3m_ 1.5100 322.7158
+ 2.0 18 c3m_ c4m_ 1.5260 322.7158
+ 2.0 18 c3m_ c_ 1.5260 322.7158
+ 2.0 18 c3m_ c'_ 1.5200 283.0924
+ 2.0 18 c3m_ cp_ 1.5100 283.0924
+ 2.0 18 c3m_ c=_ 1.5000 322.8000
+ 2.0 18 c3m_ c=_1 1.5000 322.8000
+ 2.0 18 c3m_ c=_2 1.5000 322.8000
+ 2.0 18 c3m_ c=_3 1.5000 322.8000
+ 2.0 18 c3m_ ct_ 1.4000 340.0000
+ 2.0 18 c3m_ na_ 1.4700 356.5988
+ 2.0 18 c3m_ n3m_ 1.4850 356.5988
+ 2.0 18 c3m_ n4m_ 1.4700 356.5988
+ 2.0 18 c3m_ n_ 1.4600 377.5752
+ 2.0 18 c3m_ np_ 1.4750 336.8000
+ 2.0 18 c3m_ n=_ 1.4750 336.8000
+ 2.0 18 c3m_ n=_1 1.4750 336.8000
+ 2.0 18 c3m_ n=_2 1.4750 336.8000
+ 2.0 18 c3m_ n=_3 1.4750 336.8000
+ 2.0 18 c3m_ n+_ 1.4620 270.8836
+ 2.0 18 c3m_ o_ 1.4250 273.2000
+ 2.0 18 c3m_ o'_ 1.3800 318.9484
+ 2.0 18 c3m_ o3e_ 1.4340 273.2000
+ 2.0 18 c3m_ o4e_ 1.4250 273.2000
+ 2.0 18 c3m_ op_ 1.3800 346.5484
+ 2.0 18 c3m_ s_ 1.8000 228.0000
+ 2.0 18 c3m_ sp_ 1.7700 242.5324
+ 2.0 18 c3m_ s'_ 1.7700 257.3324
+ 2.0 18 c3m_ s3e_ 1.8000 228.0000
+ 2.0 18 c3m_ s4e_ 1.8000 228.0000
+ 2.0 18 c3m_ h_ 1.1050 340.6175
+ 2.0 18 c3m_ p_ 1.7500 249.1344
+ 2.0 18 c3m_ f_ 1.3630 496.0000
+ 2.0 18 c3m_ cl_ 1.7610 314.0000
+ 2.0 18 c3m_ br_ 1.9200 223.6000
+ 2.0 18 c3m_ si_ 1.8090 238.0000
+ 2.0 18 c3m_ i_ 2.1200 200.0000
+ 2.0 18 c4m_ c4m_ 1.5520 322.7158
+ 2.0 18 c4m_ c_ 1.5260 322.7158
+ 2.0 18 c4m_ c'_ 1.5200 283.0924
+ 2.0 18 c4m_ cp_ 1.5100 283.0924
+ 2.0 18 c4m_ c=_ 1.5000 322.8000
+ 2.0 18 c4m_ c=_1 1.5000 322.8000
+ 2.0 18 c4m_ c=_2 1.5000 322.8000
+ 2.0 18 c4m_ c=_3 1.5000 322.8000
+ 2.0 18 c4m_ ct_ 1.4000 340.0000
+ 2.0 18 c4m_ na_ 1.4700 356.5988
+ 2.0 18 c4m_ n3m_ 1.4700 356.5988
+ 2.0 18 c4m_ n4m_ 1.4670 356.5988
+ 2.0 18 c4m_ n_ 1.4600 377.5752
+ 2.0 18 c4m_ np_ 1.4750 336.8000
+ 2.0 18 c4m_ n=_ 1.4750 336.8000
+ 2.0 18 c4m_ n=_1 1.4750 336.8000
+ 2.0 18 c4m_ n=_2 1.4750 336.8000
+ 2.0 18 c4m_ n=_3 1.4750 336.8000
+ 2.0 18 c4m_ n+_ 1.4620 270.8836
+ 2.0 18 c4m_ o_ 1.4250 273.2000
+ 2.0 18 c4m_ o'_ 1.3800 318.9484
+ 2.0 18 c4m_ o3e_ 1.4250 273.2000
+ 2.0 18 c4m_ o4e_ 1.4462 273.2000
+ 2.0 18 c4m_ op_ 1.3800 346.5484
+ 2.0 18 c4m_ s_ 1.8000 228.0000
+ 2.0 18 c4m_ sp_ 1.7700 242.5324
+ 2.0 18 c4m_ s'_ 1.7700 257.3324
+ 2.0 18 c4m_ s3e_ 1.8000 228.0000
+ 2.0 18 c4m_ s4e_ 1.8470 228.0000
+ 2.0 18 c4m_ h_ 1.1050 340.6175
+ 2.0 18 c4m_ p_ 1.7500 249.1344
+ 2.0 18 c4m_ f_ 1.3630 496.0000
+ 2.0 18 c4m_ cl_ 1.7610 314.0000
+ 2.0 18 c4m_ br_ 1.9200 223.6000
+ 2.0 18 c4m_ si_ 1.8090 238.0000
+ 2.0 18 c4m_ i_ 2.1200 200.0000
+ 2.0 18 c_ n3m_ 1.4700 356.5988
+ 2.0 18 c_ n4m_ 1.4700 356.5988
+ 2.0 18 c'_ n3m_ 1.4460 272.0000
+ 2.0 18 c'_ n4m_ 1.4000 332.0000
+ 2.0 18 c'_ s3e_ 1.7700 175.0035
+ 2.0 18 c'_ s4e_ 1.7700 175.0035
+ 2.0 18 cp_ n3m_ 1.4200 280.0000
+ 2.0 18 cp_ n4m_ 1.4200 280.0000
+ 2.0 18 cp_ s3e 1.7300 228.0000
+ 2.0 18 cp_ s4e 1.7300 228.0000
+ 2.0 18 c=_ n3m_ 1.4370 273.7168
+ 2.0 18 c=_ n4m_ 1.4370 273.7168
+ 2.0 18 c=_1 n3m_ 1.4370 273.7168
+ 2.0 18 c=_1 n4m_ 1.4370 273.7168
+ 2.0 18 c=_2 n3m_ 1.4370 273.7168
+ 2.0 18 c=_2 n4m_ 1.4370 273.7168
+ 2.0 18 c=_3 n3m_ 1.4370 273.7168
+ 2.0 18 c=_3 n4m_ 1.4370 273.7168
+ 2.0 18 c=_ s3e_ 1.7750 254.9440
+ 2.0 18 c=_ s4e_ 1.7750 254.9440
+ 2.0 18 c=_1 s3e_ 1.7750 254.9440
+ 2.0 18 c=_1 s4e_ 1.7750 254.9440
+ 2.0 18 c=_2 s3e_ 1.7750 254.9440
+ 2.0 18 c=_2 s4e_ 1.7750 254.9440
+ 2.0 18 c=_3 s3e_ 1.7750 254.9440
+ 2.0 18 c=_3 s4e_ 1.7750 254.9440
+ 2.0 18 ct_ n3m_ 1.3820 286.8096
+ 2.0 18 ct_ n4m_ 1.3820 286.8096
+ 2.0 18 ct_ s3e_ 1.7200 271.4328
+ 2.0 18 ct_ s4e_ 1.7200 271.4328
+ 2.0 18 na_ n3m_ 1.3940 220.8000
+ 2.0 18 na_ n4m_ 1.3940 220.8000
+ 2.0 18 na_ s3e_ 1.7320 206.9404
+ 2.0 18 na_ s4e_ 1.7320 206.9404
+ 2.0 18 n3m_ n3m_ 1.3940 220.8000
+ 2.0 18 n3m_ n4m_ 1.3940 220.8000
+ 2.0 18 n3m_ n_ 1.3670 221.6968
+ 2.0 18 n3m_ np_ 1.3670 274.4968
+ 2.0 18 n3m_ n=_ 1.3670 274.4968
+ 2.0 18 n3m_ n=_1 1.3670 274.4968
+ 2.0 18 n3m_ n=_2 1.3670 274.4968
+ 2.0 18 n3m_ n=_3 1.3670 274.4968
+ 2.0 18 n3m_ n+_ 1.3940 211.1592
+ 2.0 18 n3m_ o_ 1.3250 301.3500
+ 2.0 18 n3m_ op_ 1.3120 274.1760
+ 2.0 18 n3m_ o'_ 1.3120 246.5760
+ 2.0 18 n3m_ s_ 1.7320 206.9404
+ 2.0 18 n3m_ sp_ 1.7020 190.9752
+ 2.0 18 n3m_ s'_ 1.7020 205.7752
+ 2.0 18 n3m_ s3e_ 1.7320 206.9404
+ 2.0 18 n3m_ s4e_ 1.7320 206.9404
+ 2.0 18 n3m_ p_ 1.6820 210.5400
+ 2.0 18 n3m_ h_ 1.0260 457.4592
+ 2.0 18 n3m_ f_ 1.3520 200.9852
+ 2.0 18 n3m_ cl_ 1.6890 226.4260
+ 2.0 18 n3m_ br_ 1.8370 203.8340
+ 2.0 18 n3m_ i_ 2.0230 184.0104
+ 2.0 18 n3m_ si_ 1.7920 204.4236
+ 2.0 18 n4m_ n4m_ 1.3940 220.8000
+ 2.0 18 n4m_ n_ 1.3670 221.6968
+ 2.0 18 n4m_ np_ 1.3670 274.4968
+ 2.0 18 n4m_ n=_ 1.3670 274.4968
+ 2.0 18 n4m_ n=_1 1.3670 274.4968
+ 2.0 18 n4m_ n=_2 1.3670 274.4968
+ 2.0 18 n4m_ n=_3 1.3670 274.4968
+ 2.0 18 n4m_ n+_ 1.3940 211.1592
+ 2.0 18 n4m_ o_ 1.3250 301.3500
+ 2.0 18 n4m_ op_ 1.3120 274.1760
+ 2.0 18 n4m_ o'_ 1.3120 246.5760
+ 2.0 18 n4m_ s_ 1.7320 206.9404
+ 2.0 18 n4m_ sp_ 1.7020 190.9752
+ 2.0 18 n4m_ s'_ 1.7020 205.7752
+ 2.0 18 n4m_ s3e_ 1.7320 206.9404
+ 2.0 18 n4m_ s4e_ 1.7320 206.9404
+ 2.0 18 n4m_ p_ 1.6820 210.5400
+ 2.0 18 n4m_ h_ 1.0260 457.4592
+ 2.0 18 n4m_ f_ 1.3520 200.9852
+ 2.0 18 n4m_ cl_ 1.6890 226.4260
+ 2.0 18 n4m_ br_ 1.8370 203.8340
+ 2.0 18 n4m_ i_ 2.0230 184.0104
+ 2.0 18 n4m_ si_ 1.7920 204.4236
+ 2.0 18 n_ s3e_ 1.7050 210.6208
+ 2.0 18 n_ s4e_ 1.7050 210.6208
+ 2.0 18 np_ s3e_ 1.7050 263.4208
+ 2.0 18 np_ s4e_ 1.7050 263.4208
+ 2.0 18 n=_ s3e_ 1.7050 263.4208
+ 2.0 18 n=_ s4e_ 1.7050 263.4208
+ 2.0 18 n=_1 s3e_ 1.7050 263.4208
+ 2.0 18 n=_1 s4e_ 1.7050 263.4208
+ 2.0 18 n=_2 s3e_ 1.7050 263.4208
+ 2.0 18 n=_2 s4e_ 1.7050 263.4208
+ 2.0 18 n=_3 s3e_ 1.7050 263.4208
+ 2.0 18 n=_3 s4e_ 1.7050 263.4208
+ 2.0 18 o_ s3e_ 1.6930 288.0848
+ 2.0 18 o_ s4e_ 1.6930 288.0848
+ 2.0 18 op_ s3e_ 1.6800 266.7748
+ 2.0 18 op_ s4e_ 1.6800 266.7748
+ 2.0 18 o'_ s3e_ 1.6500 239.5744
+ 2.0 18 o'_ s4e_ 1.6500 239.5744
+ 2.0 18 s_ s3e_ 2.1000 160.0000
+ 2.0 18 s_ s4e_ 2.1000 160.0000
+ 2.0 18 sp_ s3e_ 2.0400 175.1260
+ 2.0 18 sp_ s4e_ 2.0400 175.1260
+ 2.0 18 s'_ s3e_ 2.0400 189.9260
+ 2.0 18 s'_ s4e_ 2.0400 189.9260
+ 2.0 18 s3e_ s3e_ 2.0000 180.0000
+ 2.0 18 s3e_ s4e_ 2.0000 180.0000
+ 2.0 18 s3e_ p_ 2.0200 186.8792
+ 2.0 18 s3e_ h_ 1.3300 274.1288
+ 2.0 18 s3e_ f_ 1.6900 204.8184
+ 2.0 18 s3e_ cl_ 2.0270 212.0812
+ 2.0 18 s3e_ br_ 2.1750 187.8836
+ 2.0 18 s3e_ i_ 2.3610 167.7624
+ 2.0 18 s3e_ si_ 2.1300 177.2928
+ 2.0 18 s4e_ s4e_ 2.0000 180.0000
+ 2.0 18 s4e_ p_ 2.0200 186.8792
+ 2.0 18 s4e_ h_ 1.3300 274.1288
+ 2.0 18 s4e_ f_ 1.6900 204.8184
+ 2.0 18 s4e_ cl_ 2.0270 212.0812
+ 2.0 18 s4e_ br_ 2.1750 187.8836
+ 2.0 18 s4e_ i_ 2.3610 167.7624
+ 2.0 18 s4e_ si_ 2.1300 177.2928
+ 2.0 18 c_ c_ 1.5260 322.7158
+ 2.0 18 c_ c'_ 1.5200 283.0924
+ 2.0 18 c_ cp_ 1.5100 283.0924
+ 2.0 18 c_ c=_ 1.5000 322.8000
+ 2.0 18 c_ c=_1 1.5000 322.8000
+ 2.0 18 c_ c=_2 1.5000 322.8000
+ 2.0 18 c_ c=_3 1.5000 322.8000
+ 2.0 18 c_ ct_ 1.4000 340.0000
+ 2.0 18 c_ na_ 1.4700 356.5988
+ 2.0 18 c_ n_ 1.4600 377.5752
+ 2.0 18 c_ np_ 1.4750 336.8000
+ 2.0 18 c_ n=_ 1.4750 336.8000
+ 2.0 18 c_ n=_1 1.4750 336.8000
+ 2.0 18 c_ n=_2 1.4750 336.8000
+ 2.0 18 c_ n=_3 1.4750 336.8000
+ 2.0 18 c_ n+_ 1.4620 270.8836
+ 2.0 18 c_ o_ 1.4250 273.2000
+ 2.0 18 c_ op_ 1.3800 346.5484
+ 2.0 18 c_ o'_ 1.3800 318.9484
+ 2.0 18 c_ s_ 1.8000 228.0000
+ 2.0 18 c_ sp_ 1.7700 242.5324
+ 2.0 18 c_ s'_ 1.7700 257.3324
+ 2.0 18 c_ h_ 1.1050 340.6175
+ 2.0 18 c_ p_ 1.7500 249.1344
+ 2.0 18 c_ f_ 1.3630 496.0000
+ 2.0 18 c_ cl_ 1.7610 314.0000
+ 2.0 18 c_ br_ 1.9200 223.6000
+ 2.0 18 c_ si_ 1.8090 238.0000
+ 2.0 18 c_ i_ 2.1200 200.0000
+ 2.0 18 c'_ c'_ 1.5000 266.4000
+ 2.0 18 c'_ cp_ 1.5000 284.3316
+ 2.0 18 c'_ c=_ 1.5000 322.8000
+ 2.0 18 c'_ c=_1 1.5000 322.8000
+ 2.0 18 c'_ c=_2 1.5000 322.8000
+ 2.0 18 c'_ c=_3 1.5000 322.8000
+ 2.0 18 c'_ ct_ 1.4200 311.1492
+ 2.0 18 c'_ n_ 1.3600 388.0000
+ 2.0 18 c'_ n=_ 1.4050 296.2996
+ 2.0 18 c'_ n=_1 1.4050 296.2996
+ 2.0 18 c'_ n=_2 1.4050 296.2996
+ 2.0 18 c'_ n=_3 1.4050 296.2996
+ 2.0 18 c'_ np_ 1.4050 296.2996
+ 2.0 18 c'_ o_ 1.3400 400.0000
+ 2.0 18 c'_ o'_ 1.2200 615.3220
+ 2.0 18 c'_ o-_ 1.2500 572.8860
+ 2.0 18 c'_ op_ 1.3500 294.1008
+ 2.0 18 c'_ s_ 1.7700 175.0035
+ 2.0 18 c'_ s'_ 1.6110 510.2775
+ 2.0 18 c'_ s-_ 1.6800 280.3060
+ 2.0 18 c'_ sp_ 1.7400 215.3532
+ 2.0 18 c'_ h_ 1.1050 340.6175
+ 2.0 18 c'_ p_ 1.7200 241.3820
+ 2.0 18 c'_ f_ 1.3900 217.7092
+ 2.0 18 c'_ cl_ 1.7270 249.8588
+ 2.0 18 c'_ br_ 1.8750 228.2808
+ 2.0 18 c'_ si_ 1.8300 239.3552
+ 2.0 18 c'_ i_ 2.0610 208.6024
+ 2.0 18 cp_ cp_ 1.3900 480.0000
+ 2.0 18 cp_ c=_ 1.5000 322.8000
+ 2.0 18 cp_ c=_1 1.5000 322.8000
+ 2.0 18 cp_ c=_2 1.5000 322.8000
+ 2.0 18 cp_ c=_3 1.5000 322.8000
+ 2.0 18 cp_ ct_ 1.4000 321.6716
+ 2.0 18 cp_ na_ 1.4120 257.7752
+ 2.0 18 cp_ n_ 1.4200 280.0000
+ 2.0 18 cp_ n=_ 1.3850 316.0380
+ 2.0 18 cp_ n=_1 1.3850 316.0380
+ 2.0 18 cp_ n=_2 1.3850 316.0380
+ 2.0 18 cp_ n=_3 1.3850 316.0380
+ 2.0 18 cp_ np_ 1.3500 440.0000
+ 2.0 18 cp_ n+_ 1.4120 251.3344
+ 2.0 18 cp_ o_ 1.3700 384.0000
+ 2.0 18 cp_ o'_ 1.3300 297.4852
+ 2.0 18 cp_ op_ 1.3700 420.0000
+ 2.0 18 cp_ s_ 1.7300 228.0000
+ 2.0 18 cp_ s'_ 1.7200 239.8024
+ 2.0 18 cp_ sp_ 1.7106 320.0000
+ 2.0 18 cp_ h_ 1.0800 363.4164
+ 2.0 18 cp_ p_ 1.7000 235.0428
+ 2.0 18 cp_ f_ 1.3630 496.0000
+ 2.0 18 cp_ cl_ 1.7610 314.0000
+ 2.0 18 cp_ br_ 1.9200 223.6000
+ 2.0 18 cp_ i_ 2.0410 217.4512
+ 2.0 18 cp_ si_ 1.8100 225.1676
+ 2.0 18 ci_ ci_ 1.3900 280.0000
+ 2.0 18 ci_ ni_ 1.3800 320.0000
+ 2.0 18 ci_ h_ 1.0800 363.4164
+ 2.0 18 c=_ c=_ 1.3300 655.2000
+ 2.0 18 c=_3 c=_3 1.3300 655.2000
+ 2.0 18 c=_1 c=_3 1.3300 655.2000
+ 2.0 18 c=_2 c=_2 1.4100 480.0000
+ 2.0 18 c=_1 c=_2 1.4800 320.0000
+ 2.0 18 c=_1 c=_1 1.4800 320.0000
+ 2.0 18 c=_2 c=_3 1.4800 320.0000
+ 2.0 18 c=_ ct_ 1.4250 337.6424
+ 2.0 18 c=_ na_ 1.4370 273.7168
+ 2.0 18 c=_ n_ 1.4100 279.0740
+ 2.0 18 c=_1 ct_ 1.4250 337.6424
+ 2.0 18 c=_1 na_ 1.4370 273.7168
+ 2.0 18 c=_1 n_ 1.4100 279.0740
+ 2.0 18 c=_2 ct_ 1.4250 337.6424
+ 2.0 18 c=_2 na_ 1.4370 273.7168
+ 2.0 18 c=_2 n_ 1.4100 279.0740
+ 2.0 18 c=_3 ct_ 1.4250 337.6424
+ 2.0 18 c=_3 na_ 1.4370 273.7168
+ 2.0 18 c=_3 n_ 1.4100 279.0740
+ 2.0 18 c=_ n=_ 1.2600 560.0000
+ 2.0 18 c=_3 n=_3 1.2600 560.0000
+ 2.0 18 c=_1 n=_3 1.2600 560.0000
+ 2.0 18 c=_3 n=_1 1.2600 560.0000
+ 2.0 18 c=_2 n=_2 1.3430 493.5268
+ 2.0 18 c=_1 n=_2 1.4100 331.8740
+ 2.0 18 c=_2 n=_1 1.4100 331.8740
+ 2.0 18 c=_1 n=_1 1.4100 331.8740
+ 2.0 18 c=_3 n=_2 1.4100 331.8740
+ 2.0 18 c=_2 n=_3 1.4100 331.8740
+ 2.0 18 c=_ np_ 1.4100 331.8740
+ 2.0 18 c=_ o_ 1.3680 355.1988
+ 2.0 18 c=_ op_ 1.3550 340.5116
+ 2.0 18 c=_ o'_ 1.3550 312.9116
+ 2.0 18 c=_ h_ 1.0900 361.6000
+ 2.0 18 c=_ p_ 1.7250 250.9988
+ 2.0 18 c=_ s_ 1.7750 254.9440
+ 2.0 18 c=_ sp_ 1.7450 240.9880
+ 2.0 18 c=_ s'_ 1.7450 255.7880
+ 2.0 18 c=_ f_ 1.3950 285.1320
+ 2.0 18 c=_ cl_ 1.7320 278.5132
+ 2.0 18 c=_ br_ 1.8800 253.7008
+ 2.0 18 c=_ i_ 2.0660 233.4432
+ 2.0 18 c=_ si_ 1.8350 241.0424
+ 2.0 18 c=_1 np_ 1.4100 331.8740
+ 2.0 18 c=_1 o_ 1.3680 355.1988
+ 2.0 18 c=_1 op_ 1.3550 340.5116
+ 2.0 18 c=_1 o'_ 1.3550 312.9116
+ 2.0 18 c=_1 h_ 1.0900 361.6000
+ 2.0 18 c=_1 p_ 1.7250 250.9988
+ 2.0 18 c=_1 s_ 1.7750 254.9440
+ 2.0 18 c=_1 sp_ 1.7450 240.9880
+ 2.0 18 c=_1 s'_ 1.7450 255.7880
+ 2.0 18 c=_1 f_ 1.3950 285.1320
+ 2.0 18 c=_1 cl_ 1.7320 278.5132
+ 2.0 18 c=_1 br_ 1.8800 253.7008
+ 2.0 18 c=_1 i_ 2.0660 233.4432
+ 2.0 18 c=_1 si_ 1.8350 241.0424
+ 2.0 18 c=_2 np_ 1.4100 331.8740
+ 2.0 18 c=_2 o_ 1.3680 355.1988
+ 2.0 18 c=_2 op_ 1.3550 340.5116
+ 2.0 18 c=_2 o'_ 1.3550 312.9116
+ 2.0 18 c=_2 h_ 1.0900 361.6000
+ 2.0 18 c=_2 p_ 1.7250 250.9988
+ 2.0 18 c=_2 s_ 1.7750 254.9440
+ 2.0 18 c=_2 sp_ 1.7450 240.9880
+ 2.0 18 c=_2 s'_ 1.7450 255.7880
+ 2.0 18 c=_2 f_ 1.3950 285.1320
+ 2.0 18 c=_2 cl_ 1.7320 278.5132
+ 2.0 18 c=_2 br_ 1.8800 253.7008
+ 2.0 18 c=_2 i_ 2.0660 233.4432
+ 2.0 18 c=_2 si_ 1.8350 241.0424
+ 2.0 18 c=_3 np_ 1.4100 331.8740
+ 2.0 18 c=_3 o_ 1.3680 355.1988
+ 2.0 18 c=_3 op_ 1.3550 340.5116
+ 2.0 18 c=_3 o'_ 1.3550 312.9116
+ 2.0 18 c=_3 h_ 1.0900 361.6000
+ 2.0 18 c=_3 p_ 1.7250 250.9988
+ 2.0 18 c=_3 s_ 1.7750 254.9440
+ 2.0 18 c=_3 sp_ 1.7450 240.9880
+ 2.0 18 c=_3 s'_ 1.7450 255.7880
+ 2.0 18 c=_3 f_ 1.3950 285.1320
+ 2.0 18 c=_3 cl_ 1.7320 278.5132
+ 2.0 18 c=_3 br_ 1.8800 253.7008
+ 2.0 18 c=_3 i_ 2.0660 233.4432
+ 2.0 18 c=_3 si_ 1.8350 241.0424
+ 2.0 18 cr_ n=_ 1.2600 560.0000
+ 2.0 18 cr_ n=_1 1.2600 560.0000
+ 2.0 18 cr_ n=_2 1.2600 560.0000
+ 2.0 18 cr_ n=_3 1.2600 560.0000
+ 2.0 18 cr_ n_ 1.3200 388.0000
+ 2.0 18 ct_ ct_ 1.2040 800.0000
+ 2.0 18 ct_ nt_ 1.1580 880.0000
+ 2.0 18 ct_ na_ 1.3820 286.8096
+ 2.0 18 ct_ n_ 1.3550 289.4448
+ 2.0 18 ct_ n=_ 1.3550 342.2448
+ 2.0 18 ct_ n=_1 1.3550 342.2448
+ 2.0 18 ct_ n=_2 1.3550 342.2448
+ 2.0 18 ct_ n=_3 1.3550 342.2448
+ 2.0 18 ct_ n+_ 1.3820 278.3768
+ 2.0 18 ct_ o_ 1.3130 367.8164
+ 2.0 18 ct_ s_ 1.7200 271.4328
+ 2.0 18 ct_ op_ 1.3000 346.4680
+ 2.0 18 ct_ o'_ 1.3000 318.8680
+ 2.0 18 ct_ sp_ 1.6900 256.0344
+ 2.0 18 ct_ s'_ 1.6900 270.8344
+ 2.0 18 ct_ p_ 1.6700 273.4668
+ 2.0 18 ct_ h_ 1.0530 316.9016
+ 2.0 18 ct_ f_ 1.3400 278.3932
+ 2.0 18 ct_ cl_ 1.6770 292.1952
+ 2.0 18 ct_ br_ 1.8250 268.8528
+ 2.0 18 ct_ i_ 2.0110 248.9268
+ 2.0 18 ct_ si_ 1.7800 267.2964
+ 2.0 18 na_ na_ 1.3940 220.8000
+ 2.0 18 na_ n_ 1.3670 221.6968
+ 2.0 18 na_ np_ 1.3670 274.4968
+ 2.0 18 na_ n=_ 1.3670 274.4968
+ 2.0 18 na_ n=_1 1.3670 274.4968
+ 2.0 18 na_ n=_2 1.3670 274.4968
+ 2.0 18 na_ n=_3 1.3670 274.4968
+ 2.0 18 na_ n+_ 1.3940 211.1592
+ 2.0 18 na_ o_ 1.3250 301.3500
+ 2.0 18 na_ s_ 1.7320 206.9404
+ 2.0 18 na_ op_ 1.3120 274.1760
+ 2.0 18 na_ o'_ 1.3120 246.5760
+ 2.0 18 na_ sp_ 1.7020 190.9752
+ 2.0 18 na_ s'_ 1.7020 205.7752
+ 2.0 18 na_ p_ 1.6820 210.5400
+ 2.0 18 na_ h_ 1.0260 457.4592
+ 2.0 18 na_ f_ 1.3520 200.9852
+ 2.0 18 na_ cl_ 1.6890 226.4260
+ 2.0 18 na_ br_ 1.8370 203.8340
+ 2.0 18 na_ i_ 2.0230 184.0104
+ 2.0 18 na_ si_ 1.7920 204.4236
+ 2.0 18 n_ n_ 1.3400 220.0000
+ 2.0 18 n_ np_ 1.3400 272.8000
+ 2.0 18 n_ n=_ 1.3400 272.8000
+ 2.0 18 n_ n=_1 1.3400 272.8000
+ 2.0 18 n_ n=_2 1.3400 272.8000
+ 2.0 18 n_ n=_3 1.3400 272.8000
+ 2.0 18 n_ n+_ 1.3670 210.6360
+ 2.0 18 n_ o_ 1.2980 301.2632
+ 2.0 18 n_ s_ 1.7050 210.6208
+ 2.0 18 n_ op_ 1.2850 267.1080
+ 2.0 18 n_ o'_ 1.2850 239.5080
+ 2.0 18 n_ sp_ 1.6750 193.4844
+ 2.0 18 n_ s'_ 1.6750 208.2844
+ 2.0 18 n_ p_ 1.6550 219.9524
+ 2.0 18 n_ h_ 1.0260 483.4512
+ 2.0 18 n_ f_ 1.3250 189.3856
+ 2.0 18 n_ cl_ 1.6620 227.5604
+ 2.0 18 n_ br_ 1.8100 206.3980
+ 2.0 18 n_ i_ 1.9960 186.6972
+ 2.0 18 n_ si_ 1.7650 216.8064
+ 2.0 18 np_ np_ 1.3400 408.0000
+ 2.0 18 np_ n=_ 1.3400 325.6000
+ 2.0 18 np_ n=_1 1.3400 325.6000
+ 2.0 18 np_ n=_2 1.3400 325.6000
+ 2.0 18 np_ n=_3 1.3400 325.6000
+ 2.0 18 np_ n+_ 1.3670 263.4360
+ 2.0 18 np_ o_ 1.2980 354.0632
+ 2.0 18 np_ o'_ 1.2850 292.3080
+ 2.0 18 np_ op_ 1.2850 319.9080
+ 2.0 18 np_ s_ 1.7050 263.4208
+ 2.0 18 np_ s'_ 1.6750 261.0844
+ 2.0 18 np_ sp_ 1.6750 246.2844
+ 2.0 18 np_ p_ 1.6550 272.7524
+ 2.0 18 np_ h_ 1.0260 483.4512
+ 2.0 18 np_ f_ 1.3250 242.1856
+ 2.0 18 np_ cl_ 1.6620 280.3604
+ 2.0 18 np_ br_ 1.8100 259.1980
+ 2.0 18 np_ i_ 1.9960 239.4972
+ 2.0 18 np_ si_ 1.7650 269.6064
+ 2.0 18 n=_ n=_ 1.2100 651.2000
+ 2.0 18 n=_3 n=_3 1.2100 651.2000
+ 2.0 18 n=_1 n=_3 1.2100 651.2000
+ 2.0 18 n=_2 n=_2 1.2760 488.0000
+ 2.0 18 n=_1 n=_2 1.3400 325.6000
+ 2.0 18 n=_1 n=_1 1.3400 325.6000
+ 2.0 18 n=_2 n=_3 1.3400 325.6000
+ 2.0 18 n=_ n+_ 1.3670 263.4360
+ 2.0 18 n=_ o_ 1.2980 354.0632
+ 2.0 18 n=_1 n+_ 1.3670 263.4360
+ 2.0 18 n=_1 o_ 1.2980 354.0632
+ 2.0 18 n=_2 n+_ 1.3670 263.4360
+ 2.0 18 n=_2 o_ 1.2980 354.0632
+ 2.0 18 n=_3 n+_ 1.3670 263.4360
+ 2.0 18 n=_3 o_ 1.2980 354.0632
+ 2.0 18 n=_ o'_ 1.1600 575.8720
+ 2.0 18 n=_1 o'_ 1.2850 292.3080
+ 2.0 18 n=_2 o'_ 1.2225 434.0900
+ 2.0 18 n=_3 o'_ 1.1600 575.8720
+ 2.0 18 n=_ op_ 1.2850 319.9080
+ 2.0 18 n=_1 op_ 1.2850 319.9080
+ 2.0 18 n=_2 op_ 1.2850 319.9080
+ 2.0 18 n=_3 op_ 1.2850 319.9080
+ 2.0 18 n=_ s_ 1.7050 263.4208
+ 2.0 18 n=_1 s_ 1.7050 263.4208
+ 2.0 18 n=_2 s_ 1.7050 263.4208
+ 2.0 18 n=_3 s_ 1.7050 263.4208
+ 2.0 18 n=_ sp_ 1.6750 246.2844
+ 2.0 18 n=_1 sp_ 1.6750 246.2844
+ 2.0 18 n=_2 sp_ 1.6750 246.2844
+ 2.0 18 n=_3 sp_ 1.6750 246.2844
+ 2.0 18 n=_ s'_ 1.5900 489.2400
+ 2.0 18 n=_1 s'_ 1.6750 261.0844
+ 2.0 18 n=_2 s'_ 1.6325 375.1624
+ 2.0 18 n=_3 s'_ 1.5900 489.2400
+ 2.0 18 n=_ p_ 1.6550 272.7524
+ 2.0 18 n=_ h_ 1.0380 551.2061
+ 2.0 18 n=_ f_ 1.3250 242.1856
+ 2.0 18 n=_ cl_ 1.6620 280.3604
+ 2.0 18 n=_ br_ 1.8100 259.1980
+ 2.0 18 n=_ i_ 1.9960 239.4972
+ 2.0 18 n=_ si_ 1.7650 269.6064
+ 2.0 18 n=_1 p_ 1.6550 272.7524
+ 2.0 18 n=_1 h_ 1.0380 551.2061
+ 2.0 18 n=_1 f_ 1.3250 242.1856
+ 2.0 18 n=_1 cl_ 1.6620 280.3604
+ 2.0 18 n=_1 br_ 1.8100 259.1980
+ 2.0 18 n=_1 i_ 1.9960 239.4972
+ 2.0 18 n=_1 si_ 1.7650 269.6064
+ 2.0 18 n=_2 p_ 1.6550 272.7524
+ 2.0 18 n=_2 h_ 1.0380 551.2061
+ 2.0 18 n=_2 f_ 1.3250 242.1856
+ 2.0 18 n=_2 cl_ 1.6620 280.3604
+ 2.0 18 n=_2 br_ 1.8100 259.1980
+ 2.0 18 n=_2 i_ 1.9960 239.4972
+ 2.0 18 n=_2 si_ 1.7650 269.6064
+ 2.0 18 n=_3 p_ 1.6550 272.7524
+ 2.0 18 n=_3 h_ 1.0380 551.2061
+ 2.0 18 n=_3 f_ 1.3250 242.1856
+ 2.0 18 n=_3 cl_ 1.6620 280.3604
+ 2.0 18 n=_3 br_ 1.8100 259.1980
+ 2.0 18 n=_3 i_ 1.9960 239.4972
+ 2.0 18 n=_3 si_ 1.7650 269.6064
+ 2.0 18 n+_ n+_ 1.3940 193.5604
+ 2.0 18 n+_ o_ 1.3250 291.0020
+ 2.0 18 n+_ s_ 1.7320 200.1168
+ 2.0 18 n+_ op_ 1.3120 261.7060
+ 2.0 18 n+_ o'_ 1.3120 234.1060
+ 2.0 18 n+_ sp_ 1.7020 183.2952
+ 2.0 18 n+_ s'_ 1.7020 198.0952
+ 2.0 18 n+_ p_ 1.6820 209.1536
+ 2.0 18 n+_ h_ 1.0650 461.1848
+ 2.0 18 n+_ f_ 1.3520 178.0372
+ 2.0 18 n+_ cl_ 1.6890 217.7248
+ 2.0 18 n+_ br_ 1.8370 196.5940
+ 2.0 18 n+_ i_ 2.0230 177.2764
+ 2.0 18 n+_ si_ 1.7920 206.9412
+ 2.0 18 nz_ nz_ 1.0976 1632.4955
+ 2.0 18 nt_ nt_ 1.0976 1632.4955
+ 2.0 18 o_ o_ 1.2080 833.6868
+ 2.0 18 o_ s_ 1.6930 288.0848
+ 2.0 18 o_ op_ 1.2430 350.7720
+ 2.0 18 o_ o'_ 1.2430 323.1720
+ 2.0 18 o_ sp_ 1.6330 271.9584
+ 2.0 18 o_ s'_ 1.6330 286.7584
+ 2.0 18 o_ p_ 1.6100 245.2000
+ 2.0 18 o_ si_ 1.6650 392.8000
+ 2.0 18 o_ h_ 0.9600 493.8480
+ 2.0 18 o_ f_ 1.4180 224.0000
+ 2.0 18 o_ cl_ 1.6500 307.0632
+ 2.0 18 o_ br_ 1.7980 284.7988
+ 2.0 18 o_ i_ 1.9840 264.9868
+ 2.0 18 o'_ o'_ 1.1100 484.8000
+ 2.0 18 o'_ op_ 1.2300 272.4000
+ 2.0 18 o'_ s_ 1.5900 360.4188
+ 2.0 18 o'_ sp_ 1.5600 341.2736
+ 2.0 18 o'_ s'_ 1.5400 421.5188
+ 2.0 18 o'_ p_ 1.4800 524.0000
+ 2.0 18 o'_ h_ 0.9830 458.4610
+ 2.0 18 o'_ f_ 1.2700 204.0505
+ 2.0 18 o'_ cl_ 1.6070 251.7939
+ 2.0 18 o'_ br_ 1.7550 233.2954
+ 2.0 18 o'_ i_ 1.9410 213.2317
+ 2.0 18 o'_ si_ 1.6500 454.7464
+ 2.0 18 op_ op_ 1.2300 300.0000
+ 2.0 18 op_ s_ 1.6800 266.7748
+ 2.0 18 op_ sp_ 1.6500 247.8440
+ 2.0 18 op_ s'_ 1.6200 262.9744
+ 2.0 18 op_ p_ 1.6300 286.0904
+ 2.0 18 op_ h_ 0.9830 486.0610
+ 2.0 18 op_ f_ 1.2700 231.6505
+ 2.0 18 op_ cl_ 1.6070 279.3939
+ 2.0 18 op_ br_ 1.7550 260.8954
+ 2.0 18 op_ i_ 1.9410 240.8317
+ 2.0 18 op_ si 1.5870 292.2400
+ 2.0 18 o-_ p_ 1.4800 428.0000
+ 2.0 18 s_ s_ 2.0547 180.0000
+ 2.0 18 s_ sp_ 2.0400 175.1260
+ 2.0 18 s_ s'_ 2.0400 189.9260
+ 2.0 18 s_ p_ 2.0200 186.8792
+ 2.0 18 s_ h_ 1.3300 274.1288
+ 2.0 18 s_ f_ 1.6900 204.8184
+ 2.0 18 s_ cl_ 2.0270 212.0812
+ 2.0 18 s_ br_ 2.1750 187.8836
+ 2.0 18 s_ i_ 2.3610 167.7624
+ 2.0 18 s_ si_ 2.1300 177.2928
+ 2.0 18 s'_ s'_ 1.9700 320.0000
+ 2.0 18 s'_ p_ 1.9700 255.2524
+ 2.0 18 s'_ h_ 1.3730 316.8138
+ 2.0 18 s'_ f_ 1.6600 195.3021
+ 2.0 18 s'_ cl_ 1.9970 211.1368
+ 2.0 18 s'_ br_ 2.1450 187.6017
+ 2.0 18 s'_ i_ 2.3310 167.6272
+ 2.0 18 s'_ si_ 2.0800 247.5744
+ 2.0 18 s-_ p_ 1.9800 210.9800
+ 2.0 18 sp_ sp_ 2.0100 160.0000
+ 2.0 18 sp_ s'_ 1.9900 240.0000
+ 2.0 18 sp_ p_ 1.9900 175.1796
+ 2.0 18 sp_ h_ 1.3730 236.5449
+ 2.0 18 sp_ f_ 1.6600 180.5021
+ 2.0 18 sp_ cl_ 1.9970 196.3368
+ 2.0 18 sp_ br_ 2.1450 172.8017
+ 2.0 18 sp_ i_ 2.3310 152.8272
+ 2.0 18 sp_ si_ 2.1000 167.4260
+ 2.0 18 p_ p_ 1.9700 176.0000
+ 2.0 18 p_ h_ 1.4300 224.0000
+ 2.0 18 p_ f_ 1.5400 230.3664
+ 2.0 18 p_ cl_ 2.0430 208.8228
+ 2.0 18 p_ br_ 2.1800 183.1472
+ 2.0 18 p_ i_ 2.3110 162.7080
+ 2.0 18 p_ si_ 1.9170 168.2072
+ 2.0 18 h_ h_ 0.7461 398.7301
+ 2.0 18 h_ f_ 1.0230 520.7304
+ 2.0 18 h_ cl_ 1.3600 345.9024
+ 2.0 18 h_ br_ 1.5080 314.1728
+ 2.0 18 h_ i_ 1.6940 292.0432
+ 2.0 18 h_ si_ 1.4630 288.3168
+ 2.0 18 d_ d_ 0.7416 398.2392
+ 2.0 18 f_ f_ 1.4170 259.0683
+ 2.0 18 f_ cl_ 1.6470 207.1180
+ 2.0 18 f_ br_ 1.7950 193.5000
+ 2.0 18 f_ i_ 1.9810 174.1664
+ 2.0 18 f_ si_ 1.5870 297.3400
+ 2.0 18 cl_ cl_ 1.9880 236.5339
+ 2.0 18 cl_ br_ 2.1320 209.1876
+ 2.0 18 cl_ i_ 2.3180 189.3396
+ 2.0 18 cl_ si_ 2.0870 207.9748
+ 2.0 18 br_ br_ 2.2900 175.6329
+ 2.0 18 br_ i_ 2.4660 165.6156
+ 2.0 18 br_ si_ 2.2350 180.2320
+ 2.0 18 i_ i_ 2.6620 123.2110
+ 2.0 18 i_ si_ 2.4210 158.9664
+ 2.0 18 si_ si_ 2.1900 144.0000
+
+
+#quadratic_angle cvff_auto
+
+> E = K2 * (Theta - Theta0)^2
+
+!Ver Ref I J K Theta0 K2
+!---- --- ---- ---- ---- -------- -------
+ 2.0 18 c3m_ c3m_ c3m_ 60.0000 46.0000
+ 2.0 18 c3m_ c3m_ *7 109.5000 46.0000
+ 2.0 18 c4m_ c3m_ *7 109.5000 46.0000
+ 2.0 18 c_ c3m_ *7 109.5000 46.0000
+ 2.0 18 n_ c3m_ *6 109.5000 50.0000
+ 2.0 18 n3m_ c3m_ *6 109.5000 50.0000
+ 2.0 18 n4m_ c3m_ *6 109.5000 50.0000
+ 2.0 18 n3m_ c3m_ c3m_ 60.0000 50.0000
+ 2.0 18 n3m_ c3m_ n3m_ 60.0000 50.0000
+ 2.0 18 n_ c3m_ c_ 112.0000 50.0000
+ 2.0 18 n_ c3m_ c3m_ 112.0000 50.0000
+ 2.0 18 n_ c3m_ c4m_ 112.0000 50.0000
+ 2.0 18 o_ c3m_ *5 109.5000 70.0000
+ 2.0 18 o'_ c3m_ *5 109.5000 70.0000
+ 2.0 18 o3e_ c3m_ *5 109.5000 70.0000
+ 2.0 18 o3e_ c3m_ c3m_ 60.0000 70.0000
+ 2.0 18 o4e_ c3m_ *5 109.5000 70.0000
+ 2.0 18 s_ c3m_ *4 109.5000 62.0000
+ 2.0 18 s'_ c3m_ *4 109.5000 62.0000
+ 2.0 18 s3e_ c3m_ *4 109.5000 62.0000
+ 2.0 18 s3e_ c3m_ c3m_ 60.0000 62.0000
+ 2.0 18 s3e_ c3m_ s3e_ 60.0000 62.0000
+ 2.0 18 s4e_ c3m_ *4 109.5000 62.0000
+ 2.0 18 h_ c3m_ *2 109.5000 44.0000
+ 2.0 18 f_ c3m_ *3 107.8000 95.0000
+ 2.0 18 f_ c3m_ h_ 107.1000 62.0000
+ 2.0 18 si_ c3m_ *1 112.3000 34.6000
+ 2.0 18 * c3m_ * 109.5000 60.0000
+ 2.0 18 c4m_ c4m_ c4m_ 95.0000 46.0000
+ 2.0 18 c4m_ c4m_ n4m_ 88.3400 50.0000
+ 2.0 18 c4m_ c4m_ o4e_ 91.8400 70.0000
+ 2.0 18 c4m_ c4m_ s4e_ 94.5900 62.0000
+ 2.0 18 c3m_ c4m_ *7 109.5000 46.0000
+ 2.0 18 c4m_ c4m_ *7 109.5000 46.0000
+ 2.0 18 c4m_ c4m_ o_ 121.0000 46.0000
+ 2.0 18 c_ c4m_ *7 109.5000 46.0000
+ 2.0 18 n_ c4m_ *6 109.5000 50.0000
+ 2.0 18 n3m_ c4m_ *6 109.5000 50.0000
+ 2.0 18 n4m_ c4m_ *6 109.5000 50.0000
+ 2.0 18 n4m_ c4m_ n4m_ 88.4000 50.0000
+ 2.0 18 n4m_ c4m_ o4m_ 90.0000 70.0000
+ 2.0 18 n4m_ c4m_ s4m_ 89.0000 62.0000
+ 2.0 18 n_ c4m_ c_ 112.0000 50.0000
+ 2.0 18 n_ c4m_ c3m_ 112.0000 50.0000
+ 2.0 18 n_ c4m_ c4m_ 112.0000 50.0000
+ 2.0 18 o_ c4m_ *5 109.5000 70.0000
+ 3.3 33 beoh_ o_ h_ 109.5000 0.0000
+ 2.0 18 o'_ c4m_ *5 109.5000 70.0000
+ 2.0 18 o3e_ c4m_ *5 109.5000 70.0000
+ 2.0 18 o4e_ c4m_ *5 109.5000 70.0000
+ 2.0 18 o4e_ c4m_ o4e_ 90.0000 70.0000
+ 2.0 18 o4e_ c4m_ s4e_ 89.0000 70.0000
+ 2.0 18 s_ c4m_ *4 109.5000 62.0000
+ 2.0 18 s'_ c4m_ *4 109.5000 62.0000
+ 2.0 18 s3e_ c4m_ *4 109.5000 62.0000
+ 2.0 18 s4e_ c4m_ s4e_ 91.0000 62.0000
+ 2.0 18 s4e_ c4m_ *4 109.5000 62.0000
+ 2.0 18 h_ c4m_ *2 109.5000 44.0000
+ 2.0 18 f_ c4m_ *3 107.8000 95.0000
+ 2.0 18 f_ c4m_ h_ 107.1000 62.0000
+ 2.0 18 si_ c4m_ *1 112.3000 34.6000
+ 2.0 18 * c4m_ * 109.5000 60.0000
+ 2.0 18 c3m_ c_ *7 109.5000 46.0000
+ 2.0 18 c4m_ c_ *7 109.5000 46.0000
+ 2.0 18 n3m_ c_ *6 109.5000 50.0000
+ 2.0 18 n4m_ c_ *6 109.5000 50.0000
+ 2.0 18 n3m_ c_ c_ 114.0000 50.0000
+ 2.0 18 n4m_ c_ c_ 114.0000 50.0000
+ 2.0 18 n_ c_ c3m_ 114.0000 50.0000
+ 2.0 18 n_ c_ c4m_ 114.0000 50.0000
+ 2.0 18 s3m_ c_ *4 109.5000 62.0000
+ 2.0 18 s4m_ c_ *4 109.5000 62.0000
+ 2.0 18 c3m_ c'_ *9 120.0000 40.0000
+ 2.0 18 c4m_ c'_ *9 120.0000 40.0000
+ 2.0 18 n3m_ c'_ *8 120.0000 53.5000
+ 2.0 18 n4m_ c'_ *8 120.0000 53.5000
+ 2.0 18 s3e_ c'_ *5 120.0000 40.0000
+ 2.0 18 s4e_ c'_ *5 120.0000 40.0000
+ 2.0 18 n3m_ c'_ c_ 114.0000 82.0000
+ 2.0 18 n4m_ c'_ c_ 114.0000 82.0000
+ 2.0 18 o'_ c'_ n3m_ 125.0000 145.0000
+ 2.0 18 o'_ c'_ n4m_ 123.0000 145.0000
+ 2.0 18 c3m_ cp_ *7 120.0000 80.0000
+ 2.0 18 c4m_ cp_ *7 120.0000 80.0000
+ 2.0 18 n3m_ cp_ *6 120.0000 102.0000
+ 2.0 18 n4m_ cp_ *6 120.0000 102.0000
+ 2.0 18 s3e_ cp_ *4 120.0000 89.0000
+ 2.0 18 s4e_ cp_ *4 120.0000 89.0000
+ 2.0 18 c3m_ c=_ *7 120.0000 36.2000
+ 2.0 18 c4m_ c=_ *7 120.0000 36.2000
+ 2.0 18 n3m_ c=_ *6 120.0000 90.0000
+ 2.0 18 n4m_ c=_ *6 120.0000 90.0000
+ 2.0 18 s3e_ c=_ *4 120.0000 40.0000
+ 2.0 18 s4e_ c=_ *4 120.0000 40.0000
+ 2.0 18 c3m_ na_ *9 109.0000 80.0000
+ 2.0 18 c4m_ na_ *9 109.0000 80.0000
+ 2.0 18 n3m_ na_ *8 109.0000 80.0000
+ 2.0 18 n4m_ na_ *8 109.0000 80.0000
+ 2.0 18 s3e_ na_ *5 109.0000 80.0000
+ 2.0 18 s4e_ na_ *5 109.0000 80.0000
+ 2.0 18 c_ n3m_ *9 114.0000 80.0000
+ 2.0 18 c_ n3m_ c3m_ 113.0000 80.0000
+ 2.0 18 c3m_ n3m_ c3m_ 60.0000 80.0000
+ 2.0 18 n_ n3m_ *8 109.0000 80.0000
+ 2.0 18 n3m_ n3m_ *8 109.0000 80.0000
+ 2.0 18 n4m_ n3m_ *8 109.0000 80.0000
+ 2.0 18 o_ n3m_ *7 109.0000 80.0000
+ 2.0 18 o'_ n3m_ *6 114.0000 80.0000
+ 2.0 18 s_ n3m_ *5 109.0000 80.0000
+ 2.0 18 s3e_ n3m_ *5 109.0000 80.0000
+ 2.0 18 s4e_ n3m_ *5 109.0000 80.0000
+ 2.0 18 s'_ n3m_ *4 114.0000 80.0000
+ 2.0 18 h_ n3m_ *3 110.0000 41.6000
+ 2.0 18 h_ n3m_ c3m_ 110.0000 41.6000
+ 2.0 18 f_ n3m_ *2 109.0000 80.0000
+ 2.0 18 si_ n3m_ *1 109.0000 41.6000
+ 2.0 18 * n3m_ * 109.0000 80.0000
+ 2.0 18 c_ n4m_ *9 110.0000 80.0000
+ 2.0 18 c4m_ n4m_ c4m_ 91.3800 80.0000
+ 2.0 18 n_ n4m_ *8 109.0000 80.0000
+ 2.0 18 n3m_ n4m_ *8 109.0000 80.0000
+ 2.0 18 n4m_ n4m_ *8 109.0000 80.0000
+ 2.0 18 o_ n4m_ *7 109.0000 80.0000
+ 2.0 18 o'_ n4m_ *6 114.0000 80.0000
+ 2.0 18 s_ n4m_ *5 109.0000 80.0000
+ 2.0 18 s3e_ n4m_ *5 109.0000 80.0000
+ 2.0 18 s4e_ n4m_ *5 109.0000 80.0000
+ 2.0 18 s'_ n4m_ *4 114.0000 80.0000
+ 2.0 18 h_ n4m_ *3 110.0000 41.6000
+ 2.0 18 h_ n4m_ c4m_ 110.0000 41.6000
+ 2.0 18 f_ n4m_ *2 109.0000 80.0000
+ 2.0 18 si_ n4m_ *1 109.0000 41.6000
+ 2.0 18 * n4m_ * 109.0000 80.0000
+ 2.0 18 c3m_ n_ *9 120.0000 50.0000
+ 2.0 18 c4m_ n_ *9 120.0000 50.0000
+ 2.0 18 s3e_ n_ *5 120.0000 50.0000
+ 2.0 18 s4e_ n_ *5 120.0000 50.0000
+ 2.0 18 c3m_ np_ *7 120.0000 75.0000
+ 2.0 18 c4m_ np_ *7 120.0000 75.0000
+ 2.0 18 s3e_ np_ *4 120.0000 75.0000
+ 2.0 18 s4e_ np_ *4 120.0000 75.0000
+ 2.0 18 c3m_ o_ *7 109.5000 60.0000
+ 2.0 18 c4m_ o_ *7 109.5000 60.0000
+ 2.0 18 c3m_ o3e_ c3m_ 58.9580 60.0000
+ 2.0 18 c4m_ o4e_ c4m_ 91.7370 60.0000
+ 2.0 18 n3m_ o_ *6 120.0000 72.0000
+ 2.0 18 n4m_ o_ *6 120.0010 72.0000
+ 2.0 18 s3e_ o_ *4 109.5000 60.0000
+ 2.0 18 s4e_ o_ *4 109.5000 60.0000
+ 2.0 18 * op_ * 108.0000 75.0000
+ 2.0 18 si_ op_ *1 106.0000 27.5000
+ 2.0 18 c3m_ s_ *7 99.0000 58.0000
+ 2.0 18 c4m_ s_ *7 99.0000 58.0000
+ 2.0 18 n3m_ s_ *6 113.1000 42.3000
+ 2.0 18 n4m_ s_ *6 113.1000 42.3000
+ 2.0 18 s3e_ s_ *4 103.5000 75.0000
+ 2.0 18 s4e_ s_ *4 103.5000 75.0000
+ 2.0 18 c3m_ s3e_ c3m_ 44.5000 58.0000
+ 2.0 18 c3m_ s3e_ *7 99.0000 58.0000
+ 2.0 18 c4m_ s3e_ *7 99.0000 58.0000
+ 2.0 18 c_ s3e_ *7 99.0000 58.0000
+ 2.0 18 n_ s3e_ *6 113.1000 42.3000
+ 2.0 18 n3m_ s3e_ *6 113.1000 42.3000
+ 2.0 18 n4m_ s3e_ *6 113.1000 42.3000
+ 2.0 18 o_ s3e_ *5 113.1000 42.3000
+ 2.0 18 o'_ s3e_ *5 113.1000 42.3000
+ 2.0 18 s3e_ s3e_ *4 103.5000 75.0000
+ 2.0 18 s4e_ s3e_ *4 103.5000 75.0000
+ 2.0 18 s'_ s3e_ *4 109.5000 75.0000
+ 2.0 18 s_ s3e_ *4 109.5000 75.0000
+ 2.0 18 h_ s3e_ *2 112.0000 31.8000
+ 2.0 18 f_ s3e_ *3 109.5000 75.0000
+ 2.0 18 si_ s3e_ *1 109.5000 48.0000
+ 2.0 18 * s3e_ * 109.5000 75.0000
+ 2.0 18 c4m_ s4e_ c4m_ 85.9200 58.0000
+ 2.0 18 c3m_ s4e_ *7 99.0000 58.0000
+ 2.0 18 c4m_ s4e_ *7 99.0000 58.0000
+ 2.0 18 c_ s4e_ *7 99.0000 58.0000
+ 2.0 18 n_ s4e_ *6 113.1000 42.3000
+ 2.0 18 n3m_ s4e_ *6 113.1000 42.3000
+ 2.0 18 n4m_ s4e_ *6 113.1000 42.3000
+ 2.0 18 o_ s4e_ *5 113.1000 42.3000
+ 2.0 18 o'_ s4e_ *5 113.1000 42.3000
+ 2.0 18 s3e_ s4e_ *4 103.5000 75.0000
+ 2.0 18 s4e_ s4e_ *4 103.5000 75.0000
+ 2.0 18 s'_ s4e_ *4 109.5000 75.0000
+ 2.0 18 s_ s4e_ *4 109.5000 75.0000
+ 2.0 18 h_ s4e_ *2 112.0000 31.8000
+ 2.0 18 f_ s4e_ *3 109.5000 75.0000
+ 2.0 18 si_ s4e_ *1 109.5000 48.0000
+ 2.0 18 * s4e_ * 109.5000 75.0000
+ 2.0 18 c3m_ sp_ *7 92.5670 126.5060
+ 2.0 18 c4m_ sp_ *7 92.5670 126.5060
+ 2.0 18 c3m_ p_ *9 109.5000 45.0000
+ 2.0 18 c4m_ p_ *9 109.5000 45.0000
+ 2.0 18 c3m_ si_ *7 113.5000 44.4000
+ 2.0 18 c4m_ si_ *7 113.5000 44.4000
+ 2.0 18 c_ c_ *7 109.5000 46.0000
+ 2.0 18 n_ c_ *6 109.5000 50.0000
+ 2.0 18 n_ c_ c_ 114.0000 50.0000
+ 2.0 18 o_ c_ *5 109.5000 70.0000
+ 2.0 18 s_ c_ *4 109.5000 62.0000
+ 2.0 18 s'_ c_ *4 109.5000 62.0000
+ 2.0 18 c_ c_ o_ 110.5000 46.0000
+ 2.0 18 c_ c_ s_ 115.0000 46.0000
+ 2.0 18 h_ c_ *2 109.5000 44.0000
+ 2.0 18 f_ c_ *3 107.8000 95.0000
+ 2.0 18 f_ c_ h_ 107.1000 62.0000
+ 2.0 18 si_ c_ *1 112.3000 34.6000
+ 2.0 18 * c_ * 109.5000 60.0000
+ 2.0 18 c_ c'_ c_ 115.0000 40.0000
+ 2.0 18 c_ c'_ *9 120.0000 40.0000
+ 2.0 18 n_ c'_ *8 120.0000 53.5000
+ 2.0 18 o_ c'_ *7 110.0000 122.0000
+ 2.0 18 o'_ c'_ *6 120.0000 68.0000
+ 2.0 18 s_ c'_ *5 120.0000 40.0000
+ 2.0 18 s'_ c'_ *4 123.0000 80.0000
+ 2.0 18 h_ c'_ *2 110.0000 55.0000
+ 2.0 18 n_ c'_ n_ 120.0000 102.0000
+ 2.0 18 n_ c'_ c_ 114.0000 82.0000
+ 2.0 18 o'_ c'_ o_ 123.0000 145.0000
+ 2.0 18 o'_ c'_ h_ 120.0000 55.0000
+ 2.0 18 o'_ c'_ n_ 123.0000 145.0000
+ 2.0 18 h_ c'_ h_ 117.0200 26.3900
+ 2.0 18 f_ c'_ *3 120.0000 99.0000
+ 2.0 18 si_ c'_ *1 120.0000 34.6000
+ 2.0 18 * c'_ * 120.0000 65.0000
+ 2.0 18 c_ cp_ *7 120.0000 80.0000
+ 2.0 18 n_ cp_ *6 120.0000 102.0000
+ 2.0 18 o_ cp_ *5 120.0000 60.0000
+ 2.0 18 o'_ cp_ *5 120.0000 60.0000
+ 2.0 18 s_ cp_ *4 120.0000 89.0000
+ 2.0 18 s_ cp_ c_ 114.0000 89.0000
+ 2.0 18 s'_ cp_ *4 120.0000 60.0000
+ 2.0 18 h_ cp_ *2 120.0000 37.0000
+ 2.0 18 f_ cp_ *3 120.0000 99.0000
+ 2.0 18 si_ cp_ *1 120.0000 34.6000
+ 2.0 18 * cp_ * 120.0000 65.0000
+ 2.0 18 c_ c=_ *7 120.0000 36.2000
+ 2.0 18 n_ c=_ *6 120.0000 90.0000
+ 2.0 18 o_ c=_ *5 120.0000 68.0000
+ 2.0 18 o'_ c=_ *5 120.0000 68.0000
+ 2.0 18 s'_ c=_ *4 120.0000 40.0000
+ 2.0 18 s_ c=_ *4 120.0000 40.0000
+ 2.0 18 h_ c=_ *2 120.0000 37.5000
+ 2.0 18 f_ c=_ *3 120.0000 96.0000
+ 2.0 18 si_ c=_ *1 120.0000 34.6000
+ 2.0 18 * c=_ * 120.0000 60.0000
+ 2.0 18 * ct_ * 180.0000 200.0000
+ 2.0 18 c_ na_ *9 109.0000 80.0000
+ 2.0 18 n_ na_ *8 109.0000 80.0000
+ 2.0 18 o_ na_ *7 109.0000 80.0000
+ 2.0 18 o'_ na_ *6 114.0000 80.0000
+ 2.0 18 s_ na_ *5 109.0000 80.0000
+ 2.0 18 s'_ na_ *4 114.0000 80.0000
+ 2.0 18 f_ na_ *2 109.0000 80.0000
+ 2.0 18 h_ na_ *3 110.0000 41.6000
+ 2.0 18 si_ na_ *1 109.0000 41.6000
+ 2.0 18 * na_ * 109.0000 80.0000
+ 2.0 18 c_ n_ *9 120.0000 50.0000
+ 2.0 18 n_ n_ *8 120.0000 50.0000
+ 2.0 18 o_ n_ *7 120.0000 50.0000
+ 2.0 18 o'_ n_ *6 120.0000 80.0000
+ 2.0 18 s_ n_ *5 120.0000 50.0000
+ 2.0 18 s'_ n_ *4 120.0000 70.0000
+ 2.0 18 f_ n_ *2 120.0000 50.0000
+ 2.0 18 h_ n_ *3 122.0000 35.0000
+ 2.0 18 si_ n_ *1 120.0000 35.0000
+ 2.0 18 * n_ * 120.0000 50.0000
+ 2.0 18 c_ np_ *7 120.0000 75.0000
+ 2.0 18 n_ np_ *6 120.0000 75.0000
+ 2.0 18 o_ np_ *5 120.0000 75.0000
+ 2.0 18 o'_ np_ *5 120.0000 75.0000
+ 2.0 18 s_ np_ *4 120.0000 75.0000
+ 2.0 18 s'_ np_ *4 120.0000 75.0000
+ 2.0 18 f_ np_ *2 120.0000 75.0000
+ 2.0 18 h_ np_ *3 120.0000 27.5000
+ 2.0 18 si_ np_ *1 120.0000 27.5000
+ 2.0 18 * np_ * 120.0000 75.0000
+ 2.0 18 * nt_ * 180.0 50.0
+ 2.0 18 c_ o_ *7 109.5000 60.0000
+ 2.0 18 n_ o_ *6 120.0000 72.0000
+ 2.0 18 o_ o_ *5 109.5000 60.0000
+ 2.0 18 o'_ o_ *5 109.5000 60.0000
+ 2.0 18 s_ o_ *4 109.5000 60.0000
+ 2.0 18 s'_ o_ *4 109.5000 60.0000
+ 2.0 18 h_ o_ *2 109.0000 58.5000
+ 2.0 18 h_ o*_ h_ 104.5000 50.0000
+ 2.0 18 f_ o_ *3 109.5000 60.0000
+ 2.0 18 si_ o_ *1 124.1000 56.4000
+ 2.0 18 si_ o_ si 149.8000 31.1000
+ 2.0 18 * o_ * 109.5000 60.0000
+ 2.0 18 c_ s_ *7 102.0000 58.0000
+ 2.0 18 n_ s_ *6 113.1000 42.3000
+ 2.0 18 o_ s_ *5 113.1000 42.3000
+ 2.0 18 o'_ s_ *5 113.1000 42.3000
+ 2.0 18 s_ s_ *4 103.5000 75.0000
+ 2.0 18 s'_ s_ *4 109.5000 75.0000
+ 2.0 18 h_ s_ *2 112.0000 31.8000
+ 2.0 18 f_ s_ *3 109.5000 75.0000
+ 2.0 18 si_ s_ *1 109.5000 48.0000
+ 2.0 18 * s_ * 109.5000 50.0000
+ 2.0 18 c_ sp_ *7 92.5670 126.5060
+ 2.0 18 n_ sp_ *6 92.5670 126.5060
+ 2.0 18 o_ sp_ *5 92.5670 126.5060
+ 2.0 18 o'_ sp_ *5 92.5670 126.5060
+ 2.0 18 s_ sp_ *4 92.5670 126.5060
+ 2.0 18 s'_ sp_ *4 92.5670 126.5060
+ 2.0 18 h_ sp_ *2 96.0000 48.0000
+ 2.0 18 f_ sp_ *3 92.5670 126.5060
+ 2.0 18 si_ sp_ *1 96.0000 48.0000
+ 2.0 18 * sp_ * 92.5670 120.0000
+ 2.0 18 c_ p_ *9 109.5000 45.0000
+ 2.0 18 n_ p_ *8 109.5000 45.0000
+ 2.0 18 o_ p_ *7 109.5000 45.0000
+ 2.0 18 o'_ p_ *6 120.0000 110.0000
+ 2.0 18 s_ p_ *5 109.5000 45.0000
+ 2.0 18 s'_ p_ *4 120.0000 100.0000
+ 2.0 18 h_ p_ *2 109.5000 45.0000
+ 2.0 18 f_ p_ *3 109.5000 45.0000
+ 2.0 18 si_ p_ *1 109.5000 30.0000
+ 2.0 18 * p_ * 109.5000 45.0000
+ 2.0 18 c_ si_ *7 113.5000 44.4000
+ 2.0 18 n_ si_ *6 113.5000 44.4000
+ 2.0 18 o_ si_ *5 113.1000 42.3000
+ 2.0 18 s_ si_ *4 113.1000 42.3000
+ 2.0 18 h_ si_ *2 112.0000 31.8000
+ 2.0 18 f_ si_ *3 117.3000 44.1000
+ 2.0 18 si_ si_ *1 113.4000 33.3000
+ 2.0 18 * si_ * 113.5000 44.4000
+
+
+
+
+#torsion_1 cvff_auto
+
+> E = Kphi * [ 1 + cos(n*Phi - Phi0) ]
+
+!Ver Ref I J K L Kphi n Phi0
+!---- --- ---- ---- ---- ---- ------- ------ -------
+ 2.0 18 * c_ n3n_ * 0.0500 3 0.
+ 2.0 18 * c'_ n3n_ * 0.7000 2 180.
+ 2.0 18 * cp_ n3n_ * 0.5000 2 180.
+ 2.0 18 * c=_ n3n_ * 0.5000 2 180.
+ 2.0 18 * c=_1 n3n_ * 0.7000 2 180.
+ 2.0 18 * c=_2 n3n_ * 0.7000 2 180.
+ 2.0 18 * c=_3 n3n_ * 0.7000 2 180.
+ 2.0 18 * ct_ n3n_ * 0.0000 0 0.
+ 2.0 18 * na_ n3n_ * 0.0000 0 0.
+ 2.0 18 * n_ n3n_ * 0.0500 2 180.
+ 2.0 18 * n3n_ n3n_ * 0.0500 2 180.
+ 2.0 18 * np_ n3n_ * 0.0500 2 180.
+ 2.0 18 * n=_ n3n_ * 0.0500 2 180.
+ 2.0 18 * n=_1 n3n_ * 0.0500 2 180.
+ 2.0 18 * n=_2 n3n_ * 0.0500 2 180.
+ 2.0 18 * n=_3 n3n_ * 0.0500 2 180.
+ 2.0 18 * o_ n3n_ * 0.3000 3 0.
+ 2.0 18 * s_ n3n_ * 0.3000 2 0.
+ 2.0 18 * si_ n3n_ * 0.0500 3 0.
+ 2.0 18 * c_ c_ * 0.1580 3 0.
+ 2.0 18 * c_ c'_ * 0.0000 0 0.
+ 2.0 18 * c_ cp_ * 0.0000 0 0.
+ 2.0 18 * c_ c=_ * 0.2110 3 0.
+ 2.0 18 * c_ c=_1 * 0.2110 3 0.
+ 2.0 18 * c_ c=_2 * 0.2110 3 0.
+ 2.0 18 * c_ c=_3 * 0.2110 3 0.
+ 2.0 18 * c_ ct_ * 0.0000 0 0.
+ 2.0 18 * c_ na_ * 0.0500 3 0.
+ 2.0 18 * c_ n_ * 0.0000 0 0.
+ 2.0 18 * c_ np_ * 0.0000 0 0.
+ 2.0 18 * c_ n=_ * 0.0000 0 0.
+ 2.0 18 * c_ n=_1 * 0.0000 0 0.
+ 2.0 18 * c_ n=_2 * 0.0000 0 0.
+ 2.0 18 * c_ n=_3 * 0.0000 0 0.
+ 2.0 18 * c_ o_ * 0.1300 3 0.
+ 2.0 18 * c_ s_ * 0.1367 3 0.
+ 2.0 18 * c_ p_ * 0.0000 0 0.
+ 2.0 18 * c_ si_ * 0.1111 3 0.
+ 2.0 18 * c'_ c'_ * 0.4500 2 180.
+ 2.0 18 * c'_ cp_ * 2.5000 2 180.
+ 2.0 18 * c'_ c=_ * 0.4500 2 180.
+ 2.0 18 * c'_ c=_1 * 0.4500 2 180.
+ 2.0 18 * c'_ c=_2 * 0.4500 2 180.
+ 2.0 18 * c'_ c=_3 * 0.4500 2 180.
+ 2.0 18 * c'_ ct_ * 0.0000 0 0.
+ 2.0 18 * c'_ n_ * 3.2000 2 180.
+ 2.0 18 * c'_ n_ h_ 1.2000 2 180.
+ 2.0 18 * c'_ n=_ * 0.9000 2 180.
+ 2.0 18 * c'_ n=_1 * 0.9000 2 180.
+ 2.0 18 * c'_ n=_2 * 0.9000 2 180.
+ 2.0 18 * c'_ n=_3 * 0.9000 2 180.
+ 2.0 18 * c'_ np_ * 5.0000 2 180.
+ 2.0 18 * c'_ np_ h 1.0000 2 180.
+ 2.0 18 * c'_ o_ * 2.2500 2 180.
+ 2.0 18 * c'_ op_ * 2.2500 2 180.
+ 2.0 18 * c'_ s_ * 1.5000 2 180.
+ 2.0 18 * c'_ sp_ * 1.5000 2 180.
+ 2.0 18 * c'_ si_ * 0.0000 0 0.
+ 2.0 18 * cp_ cp_ * 3.0000 2 180.
+ 2.0 18 * cp_ c=_ * 0.5000 2 180.
+ 2.0 18 * cp_ c=_1 * 0.5000 2 180.
+ 2.0 18 * cp_ c=_2 * 0.5000 2 180.
+ 2.0 18 * cp_ c=_3 * 0.5000 2 180.
+ 2.0 18 * cp_ ct_ * 0.0000 0 0.
+ 2.0 18 * cp_ na_ * 2.2500 2 180.
+ 2.0 18 * cp_ n_ * 2.2500 2 180.
+ 2.0 18 * cp_ np_ * 2.0000 2 180.
+ 2.0 18 * cp_ np_ h_ 1.0000 2 180.
+ 2.0 18 * cp_ n=_ * 1.2500 2 180.
+ 2.0 18 * cp_ n=_1 * 1.2500 2 180.
+ 2.0 18 * cp_ n=_2 * 1.2500 2 180.
+ 2.0 18 * cp_ n=_3 * 1.2500 2 180.
+ 2.0 18 * cp_ o_ * 1.8000 2 180.
+ 2.0 18 * cp_ o_ h_ 0.7500 2 180.
+ 2.0 18 * cp_ op_ * 6.0000 2 180.
+ 2.0 18 * cp_ s_ * 1.5000 2 180.
+ 2.0 18 * cp_ sp_ * 6.0000 2 180.
+ 2.0 18 * cp_ si_ * 0.1667 3 0.
+ 2.0 18 * cp_ p_ * 0.2500 3 0.
+ 2.0 18 * c=_ c=_ * 4.0750 2 180.
+ 2.0 18 * c=_3 c=_3 * 4.0750 2 180.
+ 2.0 18 * c=_1 c=_3 * 4.0750 2 180.
+ 2.0 18 * c=_2 c=_2 * 3.0000 2 180.
+ 2.0 18 * c=_1 c=_1 * 0.6250 2 180.
+ 2.0 18 * c=_1 c=_2 * 0.6250 2 180.
+ 2.0 18 * c=_2 c=_3 * 0.6250 2 180.
+ 2.0 18 * c=_ ct_ * 0.0000 0 0.
+ 2.0 18 * c=_ na_ * 0.0000 0 0.
+ 2.0 18 * c=_ n_ * 1.2500 2 180.
+ 2.0 18 * c=_ np_ * 1.5000 2 180.
+ 2.0 18 * c=_ np_ h_ 0.7500 2 180.
+ 2.0 18 * c=_1 ct_ * 0.0000 0 0.
+ 2.0 18 * c=_1 na_ * 0.0000 0 0.
+ 2.0 18 * c=_1 n_ * 1.2500 2 180.
+ 2.0 18 * c=_1 np_ * 1.5000 2 180.
+ 2.0 18 * c=_1 np_ h_ 0.7500 2 180.
+ 2.0 18 * c=_2 ct_ * 0.0000 0 0.
+ 2.0 18 * c=_2 na_ * 0.0000 0 0.
+ 2.0 18 * c=_2 n_ * 1.2500 2 180.
+ 2.0 18 * c=_2 np_ * 1.5000 2 180.
+ 2.0 18 * c=_2 np_ h_ 0.7500 2 180.
+ 2.0 18 * c=_3 ct_ * 0.0000 0 0.
+ 2.0 18 * c=_3 na_ * 0.0000 0 0.
+ 2.0 18 * c=_3 n_ * 1.2500 2 180.
+ 2.0 18 * c=_3 np_ * 1.5000 2 180.
+ 2.0 18 * c=_3 np_ h_ 0.7500 2 180.
+ 2.0 18 * c=_ n=_ * 8.1500 2 180.
+ 2.0 18 * c=_3 n=_3 * 8.1500 2 180.
+ 2.0 18 * c=_1 n=_3 * 8.1500 2 180.
+ 2.0 18 * c=_3 n=_1 * 8.1500 2 180.
+ 2.0 18 * c=_2 n=_2 * 2.5000 2 180.
+ 2.0 18 * c=_1 n=_1 * 0.6250 2 180.
+ 2.0 18 * c=_1 n=_2 * 0.6250 2 180.
+ 2.0 18 * c=_2 n=_1 * 0.6250 2 180.
+ 2.0 18 * c=_2 n=_3 * 0.6250 2 180.
+ 2.0 18 * c=_3 n=_2 * 0.6250 2 180.
+ 2.0 18 * c=_ o_ * 0.9000 2 180.
+ 2.0 18 * c=_ op_ * 4.0000 2 180.
+ 2.0 18 * c=_ s_ * 1.5000 2 180.
+ 2.0 18 * c=_ sp_ * 6.0000 2 180.
+ 2.0 18 * c=_ si_ * 0.2110 3 0.
+ 2.0 18 * c=_ p_ * 1.2500 2 180.
+ 2.0 18 * c=_1 o_ * 0.9000 2 180.
+ 2.0 18 * c=_1 op_ * 4.0000 2 180.
+ 2.0 18 * c=_1 s_ * 1.5000 2 180.
+ 2.0 18 * c=_1 sp_ * 6.0000 2 180.
+ 2.0 18 * c=_1 si_ * 0.2110 3 0.
+ 2.0 18 * c=_1 p_ * 1.2500 2 180.
+ 2.0 18 * c=_2 o_ * 0.9000 2 180.
+ 2.0 18 * c=_2 op_ * 4.0000 2 180.
+ 2.0 18 * c=_2 s_ * 1.5000 2 180.
+ 2.0 18 * c=_2 sp_ * 6.0000 2 180.
+ 2.0 18 * c=_2 si_ * 0.2110 3 0.
+ 2.0 18 * c=_2 p_ * 1.2500 2 180.
+ 2.0 18 * c=_3 o_ * 0.9000 2 180.
+ 2.0 18 * c=_3 op_ * 4.0000 2 180.
+ 2.0 18 * c=_3 s_ * 1.5000 2 180.
+ 2.0 18 * c=_3 sp_ * 6.0000 2 180.
+ 2.0 18 * c=_3 si_ * 0.2110 3 0.
+ 2.0 18 * c=_3 p_ * 1.2500 2 180.
+ 2.0 18 * c+_ n_ * 3.4000 2 180.
+ 2.0 18 * ct_ ct_ * 0.0000 0 0.
+ 2.0 18 * ct_ na_ * 0.0000 0 0.
+ 2.0 18 * ct_ n_ * 0.0000 0 0.
+ 2.0 18 * ct_ np_ * 0.0000 0 0.
+ 2.0 18 * ct_ o_ * 0.0000 0 0.
+ 2.0 18 * ct_ s_ * 0.0000 0 0.
+ 2.0 18 * ct_ si_ * 0.0000 0 0.
+ 2.0 18 * na_ na_ * 0.2500 3 0.
+ 2.0 18 * na_ n_ * 0.0000 0 0.
+ 2.0 18 * na_ np_ * 0.0000 0 0.
+ 2.0 18 * na_ n=_ * 0.0000 0 0.
+ 2.0 18 * na_ n=_1 * 0.0000 0 0.
+ 2.0 18 * na_ n=_2 * 0.0000 0 0.
+ 2.0 18 * na_ n=_3 * 0.0000 0 0.
+ 2.0 18 * na_ o_ * 0.0975 3 0.
+ 2.0 18 * na_ s_ * 0.0975 3 0.
+ 2.0 18 * na_ si_ * 0.0667 3 0.
+ 2.0 18 * n_ n_ * 0.3750 2 180.
+ 2.0 18 * n_ np_ * 0.7500 2 180.
+ 2.0 18 * n_ np_ h_ 0.3750 2 180.
+ 2.0 18 * n_ n=_ * 0.7500 2 180.
+ 2.0 18 * n_ n=_1 * 0.7500 2 180.
+ 2.0 18 * n_ n=_2 * 0.7500 2 180.
+ 2.0 18 * n_ n=_3 * 0.7500 2 180.
+ 2.0 18 * n_ o_ * 0.5000 2 180.
+ 2.0 18 * n_ s_ * 0.5000 2 180.
+ 2.0 18 * n_ si_ * 0.0000 0 0.
+ 2.0 18 * np_ n=_ * 1.5000 2 180.
+ 2.0 18 * np_ n=_1 * 1.5000 2 180.
+ 2.0 18 * np_ n=_2 * 1.5000 2 180.
+ 2.0 18 * np_ n=_3 * 1.5000 2 180.
+ 2.0 18 * np_ np_ * 11.0000 2 180.
+ 2.0 18 * np_ o_ * 1.0000 2 180.
+ 2.0 18 * np_ op_ * 11.0000 2 180.
+ 2.0 18 * np_ s_ * 1.0000 2 180.
+ 2.0 18 * np_ sp_ * 10.0000 2 180.
+ 2.0 18 * np_ si_ * 0.2500 2 180.
+ 2.0 18 h_ np_ n=_ * 0.7500 2 180.
+ 2.0 18 h_ np_ n=_1 * 0.7500 2 180.
+ 2.0 18 h_ np_ n=_2 * 0.7500 2 180.
+ 2.0 18 h_ np_ n=_3 * 0.7500 2 180.
+ 2.0 18 h_ np_ np_ * 5.5000 2 180.
+ 2.0 18 h_ np_ o_ * 0.5000 2 180.
+ 2.0 18 h_ np_ op_ * 5.50000 2 180.
+ 2.0 18 h_ np_ s_ * 0.5000 2 180.
+ 2.0 18 h_ np_ sp_ * 5.5000 2 180.
+ 2.0 18 h_ np_ si_ * 0.1250 2 180.
+ 2.0 18 * n=_ n=_ * 15.0000 2 180.
+ 2.0 18 * n=_3 n=_3 * 15.0000 2 180.
+ 2.0 18 * n=_1 n=_3 * 15.0000 2 180.
+ 2.0 18 * n=_2 n=_2 * 7.5000 2 180.
+ 2.0 18 * n=_1 n=_1 * 1.5000 2 180.
+ 2.0 18 * n=_1 n=_2 * 1.5000 2 180.
+ 2.0 18 * n=_2 n=_3 * 1.5000 2 180.
+ 2.0 18 * n=_ o_ * 0.7000 2 180.
+ 2.0 18 * n=_ s_ * 0.7000 2 180.
+ 2.0 18 * n=_ si_ * 0.2333 2 180.
+ 2.0 18 * n=_1 o_ * 0.7000 2 180.
+ 2.0 18 * n=_1 s_ * 0.7000 2 180.
+ 2.0 18 * n=_1 si_ * 0.2333 2 180.
+ 2.0 18 * n=_2 o_ * 0.7000 2 180.
+ 2.0 18 * n=_2 s_ * 0.7000 2 180.
+ 2.0 18 * n=_2 si_ * 0.2333 2 180.
+ 2.0 18 * n=_3 o_ * 0.7000 2 180.
+ 2.0 18 * n=_3 s_ * 0.7000 2 180.
+ 2.0 18 * n=_3 si_ * 0.2333 2 180.
+ 2.0 18 * o_ o_ * 1.0000 3 0.
+ 2.0 18 * o_ s_ * 1.0000 3 0.
+ 2.0 18 * o_ si_ * 0.3333 3 0.
+ 2.0 18 * o_ p_ * 0.3750 3 0.
+ 2.0 18 * s_ s_ * 5.5000 2 0.
+ 2.0 18 * s_ si_ * 0.2333 3 0.
+ 2.0 18 * s_ p_ * 0.3750 3 0.
+ 2.0 18 * si_ si_ * 0.1667 3 0.
+ 2.0 18 * si_ p_ * 0.0000 3 0.
+
+
+
+
+#out_of_plane cvff_auto
+
+> E = Kchi * [ 1 + cos(n*Chi - Chi0) ]
+
+!Ver Ref I J K L Kchi n Chi0
+!---- --- ---- ---- ---- ---- ------- ------ -------
+ 2.0 18 * c'_ * * 10.0000 2 180.0000
+ 2.0 18 * cp_ * * 0.3700 2 180.0000
+ 2.0 18 * c=_ * * 11.1000 2 180.0000
+ 2.0 18 * n_ * * 0.0500 2 180.0000
+ 2.0 18 * np_ * * 0.3700 2 180.0000
+
+
+#nonbond(12-6) cvff
+
+@type A-B
+@combination geometric
+
+> E = Aij/r^12 - Bij/r^6
+> where Aij = sqrt( Ai * Aj )
+> Bij = sqrt( Bi * Bj )
+
+!Ver Ref I A B
+!---- --- ---- ----------- -----------
+ 1.0 1 h 7108.4660 32.87076
+ 1.0 1 cg 1790340.7240 528.48190
+ 1.0 1 o' 272894.7846 498.87880
+ 1.0 1 n 2266872.4000 1230.55700
+ 1.0 1 c' 2968753.3590 1325.70810
+ 1.0 1 c 1981049.2250 1125.99800
+ 1.0 1 hn 0.00000001 0.00000
+ 1.0 1 s 365906.4000 250.80000
+ 1.3 6 s' 1395550.1000 956.80800
+ 1.0 1 o* 629358.0000 625.50000
+ 1.0 1 h* 0.00000001 0.00000
+ 3.4 33 beoh 0.00000001 0.00000
+ 1.0 1 p 6025894.0000 2195.60000
+ 2.0 20 ca+ 119025.0000 240.25000
+ 1.0 1 si 3149175.0000 710.00000
+ 1.0 1 f 201106.0000 235.20000
+ 1.0 1 cl 1059166.0000 541.00000
+ 1.0 1 br 3572030.0000 1195.00000
+ 1.0 1 Na 14000.0000 300.00000
+ 1.0 1 Cl 25552052.0000 3307.00450
+ 1.0 1 Br 34375640.0000 3517.84460
+ 1.3 9 ar 2312930.0 1484.0920
+ 1.0 1 nu 0.00000001 0.00000
+ 3.2 34 py 305.7467 0.00111
+ 3.2 34 vy 5798.1994 0.00000
+ 3.2 34 ayt 183.7928 20.42565
+ 3.2 35 ti4c 33874.9079 0.00025
+ 3.2 35 ca2c 430342.8075 1535.58846
+ 3.2 36 nh4+ 3832879.5370 2377.46428
+ 3.2 36 cly- 5328228.5280 676.85728
+ 3.2 36 so4y 0.2431 44.55457
+ 3.2 35 sr2c 1097544.2980 0.00000
+ 3.2 24 sy 368.5103 0.00118
+ 3.1 23 sz 103.8039 0.00069
+ 3.2 24 oy 989199.2750 676.85728
+ 3.1 23 oz 388611.3727 0.18928
+ 3.2 24 ay 2326.0964 2.04660
+ 3.1 23 az 278.3910 1690.14959
+ 3.1 23 pz 0.1326 874.40119
+ 3.1 23 ga 80.9632 0.00000
+ 3.1 23 ge 82.8131 27.40220
+ 3.1 23 tioc 6915.3989 3262.49972
+ 3.1 23 titd 1231.5903 0.00000
+ 3.1 23 li+ 1252.1495 0.03437
+ 3.2 24 nac+ 224513.0317 2377.46428
+ 3.1 23 na+ 67423.6364 0.00046
+ 3.1 23 k+ 12886.4561 0.00009
+ 3.1 23 rb+ 4300534.1423 6957.88573
+ 3.1 23 cs+ 7280468.2656 1021.07213
+ 3.2 24 fe2c 56757.5734 2377.46428
+ 3.2 24 mg2c 27194.3713 2377.46428
+ 3.3 25 mn4c 15940.6170 6429.8290
+ 3.3 25 co2c 29906.3803 1995.4833
+ 3.3 25 mn3c 2211.2096 0.0138
+ 3.3 25 lic+ 1154.3029 0.0000
+ 3.3 25 ni2c 8579.4845 0.0000
+ 3.1 23 mg2+ 12275.1109 1383.78426
+ 3.1 23 ca2+ 300393.7486 432.82651
+ 3.1 23 ba2+ 2641062.0890 14.11481
+ 3.1 23 cu2+ 8568.2586 0.00071
+ 3.1 26 f- 98927.2590 0.18928
+ 3.1 23 cl- 536839.0775 0.02976
+ 3.1 23 br- 2.8937 0.02976
+ 3.1 23 i- 394.6286 0.02976
+ 3.1 23 so4 12.9538 3277.36445
+ 3.2 24 hocl 0.0046 0.00000
+ 3.2 27 pd2+ 7748.8541 0.00000
+ 3.4 30 lioh 205.1053 10.45753
+ 3.4 30 naoh 12250.6790 75.16294
+ 3.4 30 koh 428660.3697 435.04961
+ 3.4 30 foh 397492.5026 920.73615
+ 3.4 30 cloh 52832487.3113 13268.78826
+ 2.1 27 Al 3784321.4254 11699.84934
+ 2.1 27 Au 4603936.5046 13692.05223
+ 2.1 27 Pb 24856948.1942 23280.48320
+ 2.1 27 Ni 955901.6916 6768.92014
+ 2.1 27 Pd 2581174.9390 10078.92459
+ 2.1 27 Pt 4576819.9618 16963.30818
+ 2.1 27 Ag 3712095.6064 10865.51833
+ 2.1 27 Cu 1007210.0670 6166.70278
+ 2.1 27 Cr 1222517.4049 7523.46700
+ 2.1 27 Fe 1186612.1982 7590.28296
+ 2.1 27 Li 5192358.6600 9916.81768
+ 2.1 27 Mo 5869689.0344 21298.66304
+ 2.1 27 W 7876811.6340 27853.23915
+ 2.2 29 al 11422865.0000 2282.96606
+
+
+
+
+#bond_increments cvff
+
+!Ver Ref I J DeltaIJ DeltaJI
+!---- --- ---- ---- ------- -------
+ 3.0 22 no o- 0.1684 -0.1684
+ 3.0 22 no cp -0.1792 0.1792
+ 2.0 18 c' cp -0.1792 0.1792
+ 1.0 1 c cr 0.0000 0.0000
+ 1.0 1 c ci 0.0000 0.0000
+ 1.0 1 c n1 0.1000 -0.1000
+ 1.0 1 c s1 -0.1000 0.1000
+ 1.0 1 c' o- 0.0700 -0.5700
+ 1.0 1 ci h -0.2300 0.2300
+ 1.0 1 ci ci 0.0000 0.0000
+ 1.0 1 ci ni 0.3200 -0.0700
+ 1.0 1 cr n 0.3800 -0.3800
+ 1.0 1 cr n1 0.5000 0.0000
+ 1.0 1 cr n2 0.0000 0.0000
+ 1.0 1 cr n= 0.4000 -0.4000
+ 1.0 1 n hn -0.2800 0.2800
+ 1.0 1 n lp 0.0000 0.0000
+ 1.0 1 n1 hn 0.0000 0.5000
+ 1.0 1 n1 lp 0.0000 0.0000
+ 1.0 1 n2 hn -0.2800 0.2800
+ 1.0 1 n2 lp 0.0000 0.0000
+ 1.0 1 n3 hn -0.1400 0.1400
+ 1.0 1 n3 lp 0.0000 0.0000
+ 1.0 1 n4 hn -0.1100 0.3600
+ 1.0 1 n4 lp 0.0000 0.0000
+ 1.0 1 np hn -0.2800 0.2800
+ 1.0 1 np lp 0.0000 0.0000
+ 1.0 1 ni hn -0.3600 0.3600
+ 1.0 1 ni lp 0.0000 0.0000
+ 1.0 1 o ho -0.2233 0.2233
+ 1.0 1 o lp 0.0000 0.0000
+ 1.0 1 oh ho -0.3500 0.3500
+ 1.0 1 oh lp 0.0000 0.0000
+ 1.0 1 o* h* -0.4100 0.4100
+ 3.4 33 o* beoh 0.0000 0.0000
+ 1.0 1 o* lp 0.0000 0.0000
+ 1.0 1 o- p -0.8500 0.3500
+ 2.0 18 s- p -0.6824 0.1824
+ 1.0 1 sh hs -0.1000 0.1000
+ 1.0 1 sh lp 0.0000 0.0000
+ 1.0 1 s1 s1 0.0000 0.0000
+ 1.0 1 h p 0.1000 -0.1000
+ 1.3 4 d d 0.0 0.0
+ 1.0 1 p lp 0.0000 0.0000
+ 1.0 1 f lp 0.0000 0.0000
+ 1.0 1 cl lp 0.0000 0.0000
+ 1.0 1 br lp 0.0000 0.0000
+ 1.0 1 c c 0.0000 0.0000
+ 1.0 1 c c' 0.0000 0.0000
+ 1.0 1 c cp 0.0000 0.0000
+ 1.0 1 c c5 0.0000 0.0000
+ 1.0 1 c cs 0.0000 0.0000
+ 1.0 1 c c= 0.1000 -0.1000
+ 1.0 1 c c=1 0.1000 -0.1000
+ 1.0 1 c c=2 0.1000 -0.1000
+ 2.0 18 c c- 0.0865 -0.0865
+ 1.2 3 c ct 0.0400 -0.0400
+ 1.0 1 c n3 0.2200 -0.2200
+ 1.0 1 c n 0.2200 -0.2200
+ 1.0 1 c n2 0.0000 0.0000
+ 1.0 1 c n= 0.1100 -0.1100
+ 1.0 1 c n=1 0.1100 -0.1100
+ 1.0 1 c n=2 0.1100 -0.1100
+ 1.0 1 c np 0.1100 -0.1100
+ 1.0 1 c n4 0.4200 -0.1700
+ 1.3 5 c nt 0.1000 -0.1000
+ 2.0 18 c nz 0.3640 -0.3640
+ 1.0 1 c o 0.1500 -0.1500
+ 1.0 1 c oh 0.0300 -0.0300
+ 2.0 18 c oz 0.1742 -0.1742
+ 2.0 18 c op 0.3957 -0.3957
+ 1.0 1 c s -0.0500 0.0500
+ 1.0 1 c sh -0.1000 0.1000
+ 2.0 18 c sp 0.1180 -0.1180
+ 2.0 18 c s' 0.1180 -0.1180
+ 2.0 18 c p -0.0785 0.0785
+ 1.0 1 c h -0.1000 0.1000
+ 1.0 1 c f 0.2750 -0.2750
+ 1.0 1 c cl 0.2260 -0.2260
+ 1.0 1 c br 0.1920 -0.1920
+ 2.0 18 c i 0.1120 -0.1120
+ 1.0 1 c si 0.0000 0.0000
+ 2.0 18 c' c' 0.0000 0.0000
+ 1.5 11 c' c5 0.0 0.0
+ 1.5 11 c' cs 0.0 0.0
+ 1.0 1 c' c= 0.0000 0.0000
+ 1.0 1 c' c=1 0.0000 0.0000
+ 1.0 1 c' c=2 0.0000 0.0000
+ 2.0 18 c' c- -0.1368 0.1368
+ 2.0 18 c' ct -0.0927 0.0927
+ 2.0 18 c' n3 -0.0442 0.0442
+ 1.0 1 c' n 0.0000 0.0000
+ 1.0 1 c' n2 0.0000 0.0000
+ 2.0 18 c' n= 0.0362 -0.0362
+ 2.0 18 c' n=1 0.0362 -0.0362
+ 2.0 18 c' n=2 0.0362 -0.0362
+ 2.0 18 c' np 0.0362 -0.0362
+ 2.0 18 c' n4 0.1331 0.1169
+ 2.0 18 c' nz 0.1641 -0.1641
+ 1.0 1 c' o 0.0300 -0.0300
+ 1.0 1 c' oh 0.0300 -0.0300
+ 2.0 18 c' oz -0.0135 0.0135
+ 1.4 10 c' op 0.0300 -0.0300
+ 1.0 1 c' o' 0.3800 -0.3800
+ 2.0 18 c' s -0.1528 0.1528
+ 2.0 18 c' sh -0.2033 0.2033
+ 2.0 18 c' sp -0.1079 0.1079
+ 1.3 7 c' s' 0.0 0.0
+ 2.0 18 c' p -0.3283 0.3283
+ 1.0 1 c' h -0.2132 0.2132
+ 2.0 18 c' f 0.1116 -0.1116
+ 2.0 18 c' cl -0.0594 0.0594
+ 2.0 18 c' br -0.1152 0.1152
+ 2.0 18 c' i -0.1291 0.1291
+ 2.0 18 c' si -0.4405 0.4405
+ 1.0 1 cp cp 0.0000 0.0000
+ 1.0 1 cp c5 0.0000 0.0000
+ 2.0 18 cp cs 0.0000 0.0000
+ 2.0 18 cp c= 0.0000 0.0000
+ 2.0 18 cp c=1 0.0000 0.0000
+ 2.0 18 cp c=2 0.0000 0.0000
+ 2.0 18 cp c- 0.0424 -0.0424
+ 2.0 18 cp ct 0.0852 -0.0852
+ 2.0 18 cp n3 0.1216 -0.1216
+ 1.0 1 cp n 0.1100 -0.1100
+ 1.1 2 cp n2 0.1050 -0.1050
+ 2.0 18 cp n= 0.1993 -0.1993
+ 2.0 18 cp n=1 0.1993 -0.1993
+ 2.0 18 cp n=2 0.1993 -0.1993
+ 1.0 1 cp np 0.1100 -0.1100
+ 2.0 18 cp n4 0.2989 -0.0489
+ 2.0 18 cp nz 0.3230 -0.3230
+ 1.9 16 cp o 0.0282 -0.0282
+ 1.0 1 cp oh 0.0300 -0.0300
+ 2.0 18 cp oz 0.1367 -0.1367
+ 2.0 18 cp op 0.3583 -0.3583
+ 2.0 18 cp o' 0.3583 -0.3583
+ 2.0 18 cp s 0.0282 -0.0282
+ 2.0 18 cp sh -0.0222 0.0222
+ 2.0 18 cp sp 0.0732 -0.0732
+ 2.0 18 cp s' 0.0732 -0.0732
+ 2.0 18 cp p -0.1267 0.1267
+ 1.0 1 cp h -0.1000 0.1000
+ 1.0 1 cp f 0.1300 -0.1300
+ 1.0 1 cp cl 0.1020 -0.1020
+ 1.0 1 cp br 0.0800 -0.0800
+ 2.0 18 cp i 0.0642 -0.0642
+ 2.0 18 cp si -0.2270 0.2270
+ 1.0 1 c5 c5 0.0000 0.0000
+ 1.3 6 c5 cs 0.0000 0.0000
+ 2.0 18 c5 c= 0.0000 0.0000
+ 2.0 18 c5 c=1 0.0000 0.0000
+ 2.0 18 c5 c=2 0.0000 0.0000
+ 2.0 18 c5 c- 0.0424 -0.0424
+ 2.0 18 c5 ct 0.0852 -0.0852
+ 2.0 18 c5 n3 0.1216 -0.1216
+ 1.4 10 c5 n 0.1100 -0.1100
+ 2.0 18 c5 n2 0.1993 -0.1993
+ 2.0 18 c5 n= 0.1993 -0.1993
+ 2.0 18 c5 n=1 0.1993 -0.1993
+ 2.0 18 c5 n=2 0.1993 -0.1993
+ 1.0 1 c5 np 0.1400 -0.1400
+ 2.0 18 c5 n4 0.2989 -0.0489
+ 2.0 18 c5 nz 0.3230 -0.3230
+ 1.2 3 c5 o 0.1100 -0.1100
+ 2.0 18 c5 oh 0.0297 -0.0297
+ 2.0 18 c5 oz 0.1367 -0.1367
+ 1.3 8 c5 op 0.1100 -0.1100
+ 2.0 18 c5 o' 0.3583 -0.3583
+ 1.2 3 c5 s -0.1500 0.1500
+ 2.0 18 c5 sh -0.0222 0.0222
+ 2.0 18 c5 sp 0.0732 -0.0732
+ 2.0 18 c5 s' 0.0732 -0.0732
+ 2.0 18 c5 p -0.1267 0.1267
+ 1.0 1 c5 h -0.1300 0.1300
+ 2.0 18 c5 f 0.2589 -0.2589
+ 2.0 18 c5 cl 0.1163 -0.1163
+ 2.0 18 c5 br 0.0725 -0.0725
+ 2.0 18 c5 i 0.0642 -0.0642
+ 2.0 18 c5 si -0.2270 0.2270
+ 2.0 18 cs cs 0.0000 0.0000
+ 2.0 18 cs c= 0.0000 0.0000
+ 2.0 18 cs c=1 0.0000 0.0000
+ 2.0 18 cs c=2 0.0000 0.0000
+ 2.0 18 cs c- 0.0424 -0.0424
+ 2.0 18 cs ct 0.0852 -0.0852
+ 2.0 18 cs n3 0.1216 -0.1216
+ 2.0 18 cs n 0.1993 -0.1993
+ 2.0 18 cs n2 0.1993 -0.1993
+ 2.0 18 cs n= 0.1993 -0.1993
+ 2.0 18 cs n=1 0.1993 -0.1993
+ 2.0 18 cs n=2 0.1993 -0.1993
+ 2.0 18 cs np 0.1993 -0.1993
+ 2.0 18 cs n4 0.2989 -0.0489
+ 2.0 18 cs nz 0.3230 -0.3230
+ 2.0 18 cs o 0.1367 -0.1367
+ 2.0 18 cs oh 0.0297 -0.0297
+ 2.0 18 cs oz 0.1367 -0.1367
+ 2.0 18 cs op 0.3583 -0.3583
+ 2.0 18 cs o' 0.3583 -0.3583
+ 2.0 18 cs s 0.0282 -0.0282
+ 2.0 18 cs sh -0.0222 0.0222
+ 1.3 6 cs sp -0.1500 0.1500
+ 2.0 18 cs s' 0.0732 -0.0732
+ 2.0 18 cs p -0.1267 0.1267
+ 1.3 6 cs h -0.1300 0.1300
+ 2.0 18 cs f 0.2589 -0.2589
+ 2.0 18 cs cl 0.1163 -0.1163
+ 2.0 18 cs br 0.0725 -0.0725
+ 2.0 18 cs i 0.0642 -0.0642
+ 2.0 18 cs si -0.2270 0.2270
+ 1.0 1 c= c= 0.0000 0.0000
+ 2.0 18 c= c=1 0.0000 0.0000
+ 2.0 18 c= c=2 0.0000 0.0000
+ 2.0 18 c= c- 0.0424 -0.0424
+ 2.0 18 c= ct 0.0852 -0.0852
+ 2.0 18 c= n3 0.1216 -0.1216
+ 2.0 18 c= n 0.1993 -0.1993
+ 2.0 18 c= n2 0.1993 -0.1993
+ 1.0 1 c= n= 0.3000 -0.3000
+ 1.0 1 c= n=1 0.3000 -0.3000
+ 1.0 1 c= n=2 0.3000 -0.3000
+ 2.0 18 c= np 0.1993 -0.1993
+ 2.0 18 c= n4 0.2989 -0.0489
+ 2.0 18 c= nz 0.3230 -0.3230
+ 2.0 18 c= o 0.1367 -0.1367
+ 2.0 18 c= oh 0.0297 -0.0297
+ 2.0 18 c= oz 0.1367 -0.1367
+ 2.0 18 c= op 0.3583 -0.3583
+ 2.0 18 c= o' 0.3583 -0.3583
+ 2.0 18 c= s 0.0282 -0.0282
+ 2.0 18 c= sh -0.0222 0.0222
+ 2.0 18 c= sp 0.0732 -0.0732
+ 2.0 18 c= s' 0.0732 -0.0732
+ 2.0 18 c= p -0.1267 0.1267
+ 1.0 1 c= h -0.1000 0.1000
+ 2.0 18 c= f 0.2589 -0.2589
+ 2.0 18 c= cl 0.1163 -0.1163
+ 2.0 18 c= br 0.0725 -0.0725
+ 2.0 18 c= i 0.0642 -0.0642
+ 2.0 18 c= si -0.2270 0.2270
+ 2.0 18 c=1 c=1 0.0000 0.0000
+ 2.0 18 c=1 c=2 0.0000 0.0000
+ 2.0 18 c=1 c- 0.0424 -0.0424
+ 2.0 18 c=1 ct 0.0852 -0.0852
+ 2.0 18 c=1 n3 0.1216 -0.1216
+ 2.0 18 c=1 n 0.1993 -0.1993
+ 2.0 18 c=1 n2 0.1993 -0.1993
+ 1.0 1 c=1 n= 0.3000 -0.3000
+ 1.0 1 c=1 n=1 0.3000 -0.3000
+ 1.0 1 c=1 n=2 0.3000 -0.3000
+ 2.0 18 c=1 np 0.1993 -0.1993
+ 2.0 18 c=1 n4 0.2989 -0.0489
+ 2.0 18 c=1 nz 0.3230 -0.3230
+ 2.0 18 c=1 o 0.1367 -0.1367
+ 2.0 18 c=1 oh 0.0297 -0.0297
+ 2.0 18 c=1 oz 0.1367 -0.1367
+ 2.0 18 c=1 op 0.3583 -0.3583
+ 2.0 18 c=1 o' 0.3583 -0.3583
+ 2.0 18 c=1 s 0.0282 -0.0282
+ 2.0 18 c=1 sh -0.0222 0.0222
+ 2.0 18 c=1 sp 0.0732 -0.0732
+ 2.0 18 c=1 s' 0.0732 -0.0732
+ 2.0 18 c=1 p -0.1267 0.1267
+ 1.0 1 c=1 h -0.1000 0.1000
+ 2.0 18 c=1 f 0.2589 -0.2589
+ 2.0 18 c=1 cl 0.1163 -0.1163
+ 2.0 18 c=1 br 0.0725 -0.0725
+ 2.0 18 c=1 i 0.0642 -0.0642
+ 2.0 18 c=1 si -0.2270 0.2270
+ 2.0 18 c=2 c=2 0.0000 0.0000
+ 2.0 18 c=2 c- 0.0424 -0.0424
+ 2.0 18 c=2 ct 0.0852 -0.0852
+ 2.0 18 c=2 n3 0.1216 -0.1216
+ 2.0 18 c=2 n 0.1993 -0.1993
+ 2.0 18 c=2 n2 0.1993 -0.1993
+ 1.0 1 c=2 n= 0.3000 -0.3000
+ 1.0 1 c=2 n=1 0.3000 -0.3000
+ 1.0 1 c=2 n=2 0.3000 -0.3000
+ 2.0 18 c=2 np 0.1993 -0.1993
+ 2.0 18 c=2 n4 0.2989 -0.0489
+ 2.0 18 c=2 nz 0.3230 -0.3230
+ 2.0 18 c=2 o 0.1367 -0.1367
+ 2.0 18 c=2 oh 0.0297 -0.0297
+ 2.0 18 c=2 oz 0.1367 -0.1367
+ 2.0 18 c=2 op 0.3583 -0.3583
+ 2.0 18 c=2 o' 0.3583 -0.3583
+ 2.0 18 c=2 s 0.0282 -0.0282
+ 2.0 18 c=2 sh -0.0222 0.0222
+ 2.0 18 c=2 sp 0.0732 -0.0732
+ 2.0 18 c=2 s' 0.0732 -0.0732
+ 2.0 18 c=2 p -0.1267 0.1267
+ 1.0 1 c=2 h -0.1000 0.1000
+ 2.0 18 c=2 f 0.2589 -0.2589
+ 2.0 18 c=2 cl 0.1163 -0.1163
+ 2.0 18 c=2 br 0.0725 -0.0725
+ 2.0 18 c=2 i 0.0642 -0.0642
+ 2.0 18 c=2 si -0.2270 0.2270
+ 2.0 18 c- c- 0.0000 0.0000
+ 2.0 18 c- ct 0.0432 -0.0432
+ 2.0 18 c- n3 0.0824 -0.0824
+ 2.0 18 c- n 0.1607 -0.1607
+ 2.0 18 c- n2 0.1607 -0.1607
+ 2.0 18 c- n= 0.1607 -0.1607
+ 2.0 18 c- n=1 0.1607 -0.1607
+ 2.0 18 c- n=2 0.1607 -0.1607
+ 2.0 18 c- np 0.1607 -0.1607
+ 2.0 18 c- n4 0.2597 -0.0097
+ 2.0 18 c- nz 0.2854 -0.2854
+ 2.0 18 c- o 0.1012 -0.1012
+ 2.0 18 c- oh -0.0058 0.0058
+ 2.0 18 c- oz 0.1012 -0.1012
+ 2.0 18 c- op 0.3241 -0.3241
+ 2.0 18 c- o' 0.3241 -0.3241
+ 2.0 18 c- s -0.0146 0.0146
+ 2.0 18 c- sh -0.0650 0.0650
+ 2.0 18 c- sp 0.0304 -0.0304
+ 2.0 18 c- s' 0.0304 -0.0304
+ 2.0 18 c- s- -0.1223 -0.3777
+ 2.0 18 c- p -0.1744 0.1744
+ 2.0 18 c- h -0.1549 0.1549
+ 2.0 18 c- f 0.2241 -0.2241
+ 2.0 18 c- cl 0.0747 -0.0747
+ 2.0 18 c- br 0.0281 -0.0281
+ 2.0 18 c- i 0.0185 -0.0185
+ 2.0 18 c- si -0.2775 0.2775
+ 2.0 18 ct ct 0.0000 0.0000
+ 2.0 18 ct n3 0.0419 -0.0419
+ 2.0 18 ct n 0.1204 -0.1204
+ 2.0 18 ct n2 0.1204 -0.1204
+ 2.0 18 ct n= 0.1204 -0.1204
+ 2.0 18 ct n=1 0.1204 -0.1204
+ 2.0 18 ct n=2 0.1204 -0.1204
+ 2.0 18 ct np 0.1204 -0.1204
+ 2.0 18 ct n4 0.2181 0.0319
+ 2.0 18 ct nz 0.2454 -0.2454
+ 2.0 18 ct o 0.0644 -0.0644
+ 2.0 18 ct oh -0.0420 0.0420
+ 2.0 18 ct oz 0.0644 -0.0644
+ 2.0 18 ct op 0.2874 -0.2874
+ 2.0 18 ct o' 0.2874 -0.2874
+ 2.0 18 ct s -0.0581 0.0581
+ 2.0 18 ct sh -0.1082 0.1082
+ 2.0 18 ct sp -0.0135 0.0135
+ 2.0 18 ct s' -0.0135 0.0135
+ 2.0 18 ct p -0.2216 0.2216
+ 1.2 3 ct h -0.2000 0.2000
+ 2.0 18 ct f 0.1873 -0.1873
+ 2.0 18 ct cl 0.0319 -0.0319
+ 2.0 18 ct br -0.0173 0.0173
+ 2.0 18 ct i -0.0281 0.0281
+ 2.0 18 ct si -0.3266 0.3266
+ 2.0 18 n3 n3 0.0000 0.0000
+ 2.0 18 n3 n 0.0742 -0.0742
+ 2.0 18 n3 n2 0.0742 -0.0742
+ 2.0 18 n3 n= 0.0742 -0.0742
+ 2.0 18 n3 n=1 0.0742 -0.0742
+ 2.0 18 n3 n=2 0.0742 -0.0742
+ 2.0 18 n3 np 0.0742 -0.0742
+ 2.0 18 n3 n4 0.1650 0.0850
+ 2.0 18 n3 nz 0.1927 -0.1927
+ 2.0 18 n3 o 0.0249 -0.0249
+ 2.0 18 n3 oh -0.0754 0.0754
+ 2.0 18 n3 oz 0.0249 -0.0249
+ 2.0 18 n3 op 0.2369 -0.2369
+ 2.0 18 n3 o' 0.2369 -0.2369
+ 2.0 18 n3 s -0.0967 0.0967
+ 2.0 18 n3 sh -0.1434 0.1434
+ 2.0 18 n3 sp -0.0551 0.0551
+ 2.0 18 n3 s' -0.0551 0.0551
+ 2.0 18 n3 p -0.2518 0.2518
+ 2.0 18 n3 h -0.2386 0.2386
+ 2.0 18 n3 f 0.1415 -0.1415
+ 2.0 18 n3 cl -0.0117 0.0117
+ 2.0 18 n3 br -0.0601 0.0601
+ 2.0 18 n3 i -0.0714 0.0714
+ 2.0 18 n3 si -0.3501 0.3501
+ 2.0 18 n n 0.0000 0.0000
+ 2.0 18 n n2 0.0000 0.0000
+ 2.0 18 n n= 0.0000 0.0000
+ 2.0 18 n n=1 0.0000 0.0000
+ 2.0 18 n n=2 0.0000 0.0000
+ 2.0 18 n np 0.0000 0.0000
+ 2.0 18 n n4 0.0883 0.1617
+ 2.0 18 n nz 0.1186 -0.1186
+ 2.0 18 n o -0.0432 0.0432
+ 2.0 18 n oh -0.1421 0.1421
+ 2.0 18 n oz -0.0432 0.0432
+ 2.0 18 n op 0.1684 -0.1684
+ 2.0 18 n o' 0.1684 -0.1684
+ 2.0 18 n s -0.1755 0.1755
+ 2.0 18 n sh -0.2214 0.2214
+ 2.0 18 n sp -0.1346 0.1346
+ 2.0 18 n s' -0.1346 0.1346
+ 2.0 18 n p -0.3359 0.3359
+ 2.0 18 n h -0.3278 0.3278
+ 2.0 18 n f 0.0731 -0.0731
+ 2.0 18 n cl -0.0897 0.0897
+ 2.0 18 n br -0.1422 0.1422
+ 2.0 18 n i -0.1554 0.1554
+ 2.0 18 n si -0.4367 0.4367
+ 2.0 18 n2 n2 0.0000 0.0000
+ 2.0 18 n2 n= 0.0000 0.0000
+ 2.0 18 n2 n=1 0.0000 0.0000
+ 2.0 18 n2 n=2 0.0000 0.0000
+ 2.0 18 n2 np 0.0000 0.0000
+ 2.0 18 n2 n4 0.0883 0.1617
+ 2.0 18 n2 nz 0.1186 -0.1186
+ 2.0 18 n2 o -0.0432 0.0432
+ 2.0 18 n2 oh -0.1421 0.1421
+ 2.0 18 n2 oz -0.0432 0.0432
+ 2.0 18 n2 op 0.1684 -0.1684
+ 2.0 18 n2 o' 0.1684 -0.1684
+ 2.0 18 n2 s -0.1755 0.1755
+ 2.0 18 n2 sh -0.2214 0.2214
+ 2.0 18 n2 sp -0.1346 0.1346
+ 2.0 18 n2 s' -0.1346 0.1346
+ 2.0 18 n2 p -0.3359 0.3359
+ 2.0 18 n2 h -0.3278 0.3278
+ 2.0 18 n2 f 0.0731 -0.0731
+ 2.0 18 n2 cl -0.0897 0.0897
+ 2.0 18 n2 br -0.1422 0.1422
+ 2.0 18 n2 i -0.1554 0.1554
+ 2.0 18 n2 si -0.4367 0.4367
+ 2.0 18 n= n= 0.0000 0.0000
+ 2.0 18 n= n=1 0.0000 0.0000
+ 2.0 18 n= n=2 0.0000 0.0000
+ 2.0 18 n= np 0.0000 0.0000
+ 2.0 18 n= n4 0.0883 0.1617
+ 2.0 18 n= nz 0.1186 -0.1186
+ 2.0 18 n= o -0.0432 0.0432
+ 2.0 18 n= oh -0.1421 0.1421
+ 2.0 18 n= oz -0.0432 0.0432
+ 2.0 18 n= op 0.1684 -0.1684
+ 2.0 18 n= o' 0.1684 -0.1684
+ 2.0 18 n= o- 0.1684 -0.1684
+ 2.0 18 n= s -0.1755 0.1755
+ 2.0 18 n= sh -0.2214 0.2214
+ 2.0 18 n= sp -0.1346 0.1346
+ 2.0 18 n= s' -0.1346 0.1346
+ 2.0 18 n= p -0.3359 0.3359
+ 2.0 18 n= h -0.3278 0.3278
+ 2.0 18 n= f 0.0731 -0.0731
+ 2.0 18 n= cl -0.0897 0.0897
+ 2.0 18 n= br -0.1422 0.1422
+ 2.0 18 n= i -0.1554 0.1554
+ 2.0 18 n= si -0.4367 0.4367
+ 2.0 18 n=1 n=1 0.0000 0.0000
+ 2.0 18 n=1 n=2 0.0000 0.0000
+ 2.0 18 n=1 np 0.0000 0.0000
+ 2.0 18 n=1 n4 0.0883 0.1617
+ 2.0 18 n=1 nz 0.1186 -0.1186
+ 2.0 18 n=1 o -0.0432 0.0432
+ 2.0 18 n=1 oh -0.1421 0.1421
+ 2.0 18 n=1 oz -0.0432 0.0432
+ 2.0 18 n=1 op 0.1684 -0.1684
+ 2.0 18 n=1 o' 0.1684 -0.1684
+ 2.0 18 n=1 s -0.1755 0.1755
+ 2.0 18 n=1 sh -0.2214 0.2214
+ 2.0 18 n=1 sp -0.1346 0.1346
+ 2.0 18 n=1 s' -0.1346 0.1346
+ 2.0 18 n=1 p -0.3359 0.3359
+ 2.0 18 n=1 h -0.3278 0.3278
+ 2.0 18 n=1 f 0.0731 -0.0731
+ 2.0 18 n=1 cl -0.0897 0.0897
+ 2.0 18 n=1 br -0.1422 0.1422
+ 2.0 18 n=1 i -0.1554 0.1554
+ 2.0 18 n=1 si -0.4367 0.4367
+ 2.0 18 n=2 n=2 0.0000 0.0000
+ 2.0 18 n=2 np 0.0000 0.0000
+ 2.0 18 n=2 n4 0.0883 0.1617
+ 2.0 18 n=2 nz 0.1186 -0.1186
+ 2.0 18 n=2 o -0.0432 0.0432
+ 2.0 18 n=2 oh -0.1421 0.1421
+ 2.0 18 n=2 oz -0.0432 0.0432
+ 2.0 18 n=2 op 0.1684 -0.1684
+ 2.0 18 n=2 o' 0.1684 -0.1684
+ 2.0 18 n=2 s -0.1755 0.1755
+ 2.0 18 n=2 sh -0.2214 0.2214
+ 2.0 18 n=2 sp -0.1346 0.1346
+ 2.0 18 n=2 s' -0.1346 0.1346
+ 2.0 18 n=2 p -0.3359 0.3359
+ 2.0 18 n=2 h -0.3278 0.3278
+ 2.0 18 n=2 f 0.0731 -0.0731
+ 2.0 18 n=2 cl -0.0897 0.0897
+ 2.0 18 n=2 br -0.1422 0.1422
+ 2.0 18 n=2 i -0.1554 0.1554
+ 2.0 18 n=2 si -0.4367 0.4367
+ 2.0 18 np np 0.0000 0.0000
+ 2.0 18 np n4 0.0883 0.1617
+ 2.0 18 np nz 0.1186 -0.1186
+ 2.0 18 np o -0.0432 0.0432
+ 2.0 18 np oh -0.1421 0.1421
+ 2.0 18 np oz -0.0432 0.0432
+ 2.0 18 np op 0.1684 -0.1684
+ 2.0 18 np o' 0.1684 -0.1684
+ 2.0 18 np o- 0.1684 -0.1684
+ 2.0 18 np s -0.1755 0.1755
+ 2.0 18 np sh -0.2214 0.2214
+ 2.0 18 np sp -0.1346 0.1346
+ 2.0 18 np s' -0.1346 0.1346
+ 2.0 18 np p -0.3359 0.3359
+ 2.0 18 np h -0.3278 0.3278
+ 2.0 18 np f 0.0731 -0.0731
+ 2.0 18 np cl -0.0897 0.0897
+ 2.0 18 np br -0.1422 0.1422
+ 2.0 18 np i -0.1554 0.1554
+ 2.0 18 np si -0.4367 0.4367
+ 2.0 18 n4 n4 0.2500 0.2500
+ 2.0 18 n4 nz 0.2842 -0.0342
+ 2.0 18 n4 o 0.1245 0.1255
+ 2.0 18 n4 oh 0.0242 0.2258
+ 2.0 18 n4 oz 0.1245 0.1255
+ 2.0 18 n4 op 0.3418 -0.0918
+ 2.0 18 n4 o' 0.3418 -0.0918
+ 2.0 18 n4 s -0.0257 0.2757
+ 2.0 18 n4 sh -0.0723 0.3223
+ 2.0 18 n4 sp 0.0159 0.2341
+ 2.0 18 n4 s' 0.0159 0.2341
+ 2.0 18 n4 p -0.1994 0.4494
+ 2.0 18 n4 h -0.1978 0.4478
+ 2.0 18 n4 f 0.2438 0.0062
+ 2.0 18 n4 cl 0.0642 0.1858
+ 2.0 18 n4 br 0.0048 0.2452
+ 2.0 18 n4 i -0.0114 0.2614
+ 2.0 18 n4 si -0.3083 0.5583
+ 1.3 4 nz nz 0.0 0.0
+ 2.0 18 nz o -0.1523 0.1523
+ 2.0 18 nz oh -0.2490 0.2490
+ 2.0 18 nz oz -0.1523 0.1523
+ 2.0 18 nz op 0.0585 -0.0585
+ 2.0 18 nz o' 0.0585 -0.0585
+ 2.0 18 nz s -0.3010 0.3010
+ 2.0 18 nz sh -0.3457 0.3457
+ 2.0 18 nz sp -0.2612 0.2612
+ 2.0 18 nz s' -0.2612 0.2612
+ 2.0 18 nz p -0.4691 0.4691
+ 2.0 18 nz h -0.4688 0.4688
+ 2.0 18 nz f -0.0367 0.0367
+ 2.0 18 nz cl -0.2141 0.2141
+ 2.0 18 nz br -0.2727 0.2727
+ 2.0 18 nz i -0.2889 0.2889
+ 2.0 18 nz si -0.5738 0.5738
+ 1.3 4 o o 0.0 0.0
+ 2.0 18 o oh -0.0921 0.0921
+ 2.0 18 o oz 0.0000 0.0000
+ 2.0 18 o op 0.1962 -0.1962
+ 2.0 18 o s -0.1143 0.1143
+ 2.0 18 o sh -0.1565 0.1565
+ 2.0 18 o sp -0.0766 0.0766
+ 2.0 18 o s' -0.0766 0.0766
+ 1.0 1 o p -0.3500 0.3500
+ 2.0 18 o h -0.2432 0.2432
+ 2.0 18 o f 0.1077 -0.1077
+ 2.0 18 o cl -0.0367 0.0367
+ 2.0 18 o br -0.0818 0.0818
+ 2.0 18 o i -0.0924 0.0924
+ 1.0 1 o si -0.1500 0.1500
+ 2.0 18 oh oh 0.0000 0.0000
+ 2.0 18 oh oz 0.0921 -0.0921
+ 2.0 18 oh op 0.2853 -0.2853
+ 2.0 18 oh s -0.0063 0.0063
+ 2.0 18 oh sh -0.0485 0.0485
+ 2.0 18 oh sp 0.0313 -0.0313
+ 2.0 18 oh s' 0.0313 -0.0313
+ 1.0 1 oh p -0.1500 0.1500
+ 2.0 18 oh h -0.1190 0.1190
+ 2.0 18 oh f 0.1983 -0.1983
+ 2.0 18 oh cl 0.0686 -0.0686
+ 2.0 18 oh br 0.0295 -0.0295
+ 2.0 18 oh i 0.0216 -0.0216
+ 2.0 18 oh si -0.2188 0.2188
+ 2.0 18 oz oz 0.0000 0.0000
+ 2.0 18 oz op 0.1962 -0.1962
+ 2.0 18 oz s -0.1143 0.1143
+ 2.0 18 oz sh -0.1565 0.1565
+ 2.0 18 oz sp -0.0766 0.0766
+ 2.0 18 oz s' -0.0766 0.0766
+ 2.0 18 oz p -0.2548 0.2548
+ 2.0 18 oz h -0.2432 0.2432
+ 2.0 18 oz f 0.1077 -0.1077
+ 2.0 18 oz cl -0.0367 0.0367
+ 2.0 18 oz br -0.0818 0.0818
+ 2.0 18 oz i -0.0924 0.0924
+ 2.0 18 oz si -0.3425 0.3425
+ 2.0 18 op op 0.0000 0.0000
+ 2.0 18 op s -0.3386 0.3386
+ 2.0 18 op sh -0.3791 0.3791
+ 2.0 18 op sp -0.3024 0.3024
+ 2.0 18 op s' -0.3024 0.3024
+ 2.0 18 op p -0.4933 0.4933
+ 2.0 18 op h -0.4943 0.4943
+ 2.0 18 op f -0.0888 0.0888
+ 2.0 18 op cl -0.2585 0.2585
+ 2.0 18 op br -0.3140 0.3140
+ 2.0 18 op i -0.3297 0.3297
+ 2.0 18 op si -0.5883 0.5883
+ 2.0 18 o' o' 0.0000 0.0000
+ 2.0 18 o' s -0.3386 0.3386
+ 2.0 18 o' sh -0.3791 0.3791
+ 2.0 18 o' sp -0.3024 0.3024
+ 2.0 18 o' s' -0.3024 0.3024
+ 1.0 1 o' p -0.8500 0.3500
+ 2.0 18 o' h -0.4943 0.4943
+ 2.0 18 o' f -0.0888 0.0888
+ 2.0 18 o' cl -0.2585 0.2585
+ 2.0 18 o' br -0.3140 0.3140
+ 2.0 18 o' i -0.3297 0.3297
+ 2.0 18 o' si -0.5883 0.5883
+ 1.0 1 s s 0.0000 0.0000
+ 2.0 18 s sh -0.0509 0.0509
+ 2.0 18 s sp 0.0455 -0.0455
+ 2.0 18 s s' 0.0455 -0.0455
+ 2.0 18 s p -0.1600 0.1600
+ 2.0 18 s h -0.1392 0.1392
+ 2.0 18 s f 0.2380 -0.2380
+ 2.0 18 s cl 0.0898 -0.0898
+ 2.0 18 s br 0.0437 -0.0437
+ 2.0 18 s i 0.0345 -0.0345
+ 2.0 18 s si -0.2634 0.2634
+ 2.0 18 sh sh 0.0000 0.0000
+ 2.0 18 sh sp 0.0964 -0.0964
+ 2.0 18 sh s' 0.0964 -0.0964
+ 2.0 18 sh p -0.1032 0.1032
+ 2.0 18 sh h -0.0787 0.0787
+ 2.0 18 sh f 0.2794 -0.2794
+ 2.0 18 sh cl 0.1392 -0.1392
+ 2.0 18 sh br 0.0966 -0.0966
+ 2.0 18 sh i 0.0889 -0.0889
+ 2.0 18 sh si -0.2032 0.2032
+ 2.0 18 sp sp 0.0000 0.0000
+ 2.0 18 sp s' 0.0000 0.0000
+ 2.0 18 sp p -0.2106 0.2106
+ 2.0 18 sp h -0.1932 0.1932
+ 2.0 18 sp f 0.2011 -0.2011
+ 2.0 18 sp cl 0.0457 -0.0457
+ 2.0 18 sp br -0.0034 0.0034
+ 2.0 18 sp i -0.0140 0.0140
+ 2.0 18 sp si -0.3172 0.3172
+ 2.0 18 s' s' 0.0000 0.0000
+ 2.0 18 s' p -0.2106 0.2106
+ 2.0 18 s' h -0.1932 0.1932
+ 2.0 18 s' f 0.2011 -0.2011
+ 2.0 18 s' cl 0.0457 -0.0457
+ 2.0 18 s' br -0.0034 0.0034
+ 2.0 18 s' i -0.0140 0.0140
+ 2.0 18 s' si -0.3172 0.3172
+ 2.0 18 p p 0.0000 0.0000
+ 2.0 18 p h 0.0356 -0.0356
+ 2.0 18 p f 0.3869 -0.3869
+ 2.0 18 p cl 0.2544 -0.2544
+ 2.0 18 p br 0.2156 -0.2156
+ 2.0 18 p i 0.2110 -0.2110
+ 2.0 18 p si -0.1069 0.1069
+ 1.3 4 h h 0.0 0.0
+ 2.0 18 h f 0.3823 -0.3823
+ 2.0 18 h cl 0.2404 -0.2404
+ 2.0 18 h br 0.1978 -0.1978
+ 2.0 18 h i 0.1923 -0.1923
+ 1.0 1 h si 0.0200 -0.0200
+ 1.3 4 f f 0.0 0.0
+ 2.0 18 f cl -0.1589 0.1589
+ 2.0 18 f br -0.2099 0.2099
+ 2.0 18 f i -0.2234 0.2234
+ 2.0 18 f si -0.4789 0.4789
+ 1.3 4 cl cl 0.0 0.0
+ 2.0 18 cl br -0.0507 0.0507
+ 2.0 18 cl i -0.0623 0.0623
+ 2.0 18 cl si -0.3598 0.3598
+ 1.3 4 br br 0.0 0.0
+ 2.0 18 br i -0.0110 0.0110
+ 2.0 18 br si -0.3272 0.3272
+ 1.3 4 i i 0.0 0.0
+ 2.0 18 i si -0.3263 0.3263
+ 2.0 18 si si 0.0000 0.0000
+ 3.2 34 oy py -1.0000 1.0000
+ 3.2 34 oy vy -1.0000 1.0000
+ 3.2 35 oy ti4c -1.0000 1.0000
+ 3.2 35 oy ca2c -1.0000 1.0000
+ 3.2 36 oy cly- -1.0000 1.0000
+ 3.2 36 oy so4y -1.0000 1.0000
+ 3.2 36 oy nh4+ -1.0000 1.0000
+ 3.2 35 oy sr2c -1.0000 1.0000
+ 3.2 34 oy ayt -1.0000 1.0000
+ 3.2 24 oy sy -1.0000 1.0000
+ 3.1 23 oz sz -0.6000 0.6000
+ 3.2 24 oy ay -1.0000 1.0000
+ 3.1 23 oz az -0.6000 0.6000
+ 3.1 23 oz pz -0.6000 0.6000
+ 3.1 23 oz ga -0.6000 0.6000
+ 3.1 23 oz ge -0.6000 0.6000
+ 3.1 23 oz tioc -0.6000 0.6000
+ 3.1 23 oz titd -0.6000 0.6000
+ 3.1 23 oz li+ -0.6000 0.6000
+ 3.2 24 oy nac+ -1.0000 1.0000
+ 3.1 23 oz na+ -0.6000 0.6000
+ 3.1 23 oz k+ -0.6000 0.6000
+ 3.1 23 oz rb+ -0.6000 0.6000
+ 3.1 23 oz cs+ -0.6000 0.6000
+ 3.2 24 oy mg2c -1.0000 1.0000
+ 3.3 25 oy mn4c -1.0000 1.0000
+ 3.3 25 oy mn3c -1.0000 1.0000
+ 3.3 25 oy co2c -1.0000 1.0000
+ 3.3 25 oy ni2c -1.0000 1.0000
+ 3.3 25 oy lic+ -1.0000 1.0000
+ 3.1 23 oz mg2+ -0.6000 0.6000
+ 3.1 23 oz ca2+ -0.6000 0.6000
+ 3.1 23 oz ba2+ -0.6000 0.6000
+ 3.1 23 oz cu2+ -0.6000 0.6000
+ 3.2 24 oy fe2c -1.0000 1.0000
+ 3.1 26 oz f- -0.6000 0.6000
+ 3.1 23 oz cl- -0.6000 0.6000
+ 3.1 23 oz br- -0.6000 0.6000
+ 3.1 23 oz i- -0.6000 0.6000
+ 3.1 23 oz so4 -0.6000 0.6000
+ 3.2 24 oy hocl -1.0000 1.0000
+ 3.2 27 oy pd2+ -1.0000 1.0000
+
+#reference 1
+CVFF forcefield file in new format, converted from original format
+file shipped with Discover 2.6.0 / InsightII 1.1.0 / Insight 2.6
+September 1990
+@Author Biosym Technologies, Inc.
+@Date 13-December-90
+
+#reference 2
+Lone pair lp had incorrect mass of 0.001097.
+Bond increment for n2 cp had the wrong sign.
+@Author Jon Hurley
+@Date 13-December-90
+
+#reference 3
+Adding bond increments for ct, nt bonded to reasonable atoms.
+Adding bond increments for c5-o in furan
+Adding bond increments for c5-s in thiofuran
+In all cases using MOPAC charges as a guide, coupled with preexisting
+bond increments in CVFF which leave little flexibility.
+@Author Paul Saxe
+@Date 13-December-90
+
+#reference 4
+Parameters derived from diatomic bond length and stretching data from
+Gerhard Herzberg, "Spectra of Diatomic Molecules", New York, van
+Nostrand Reinholt Co, 1950 and from CRC Handbook of Chemistry and
+Physics, 54th Edition, 1973-1974.
+@Author Paul Saxe
+@Date 28-February-91
+
+#reference 5
+Angle parameters for azo groups from Don Mackay/Dave Haney at Biosym.
+The angle parameter force constants are only approximate. Note that
+CVFF has zero torsion parameters defined for these interactions, since
+they are linear. The zero forces the torsion to be skipped, which is
+needed since linear torsions are not well defined.
+@Author Paul Saxe
+@Date 28-February-91
+
+#reference 6
+Parameters for thiophene type sulfur derived by Kit Lau, Biosym.
+These parameters replace those in reference 3, which used c5 and s as
+the atoms types.
+@Author Kit Lau
+@Date 28-February-91
+
+#reference 7
+Parameters for thioketone type sulfur derived by Kit Lau, Biosym,
+partly derived from parameters given in S. Dasgupta and W. A. Goddard
+III, J. Chem. Phys. 90, 7207 (1989).
+@Author Kit Lau
+@Date 28-February-91
+
+#reference 8
+Changing parameters so that O in aromatic rings, e.g. furan, is "op"
+rather than "o". The parameters are not yet complete in this version
+and must be worked on in the future.
+@Author Paul Saxe
+@Date 28-February-91
+
+#reference 9
+Argon nonbond parameters from
+D. Brown and J.H.R. Clarke, "A comparison of constant energy, constant
+temperature and constant pressure ensembles in molecular dynamics
+simulations of atomic liquids", Molecular Physics, 51, 1243 (1984).
+@Author Paul Saxe
+@Date 28-February-91
+
+#reference 10
+Adding two bond increments: c5-n in analogy to cp-n, and c'-op the
+same as c'-o so that the charges can be assigned as the were in the
+past before some "o"'s became "op"'s. These increments are approximate.
+@Author Paul Saxe
+@Date 12-March-91
+
+#reference 11
+Adding zero increments for c' - c5 or cs bonds.
+@Author Paul Saxe
+@Date 19-March-91
+
+#reference 12
+Adding automatic parameters designed to set isocaynate (*-N=C=O) torsion to
+zero because it is linear.
+@Author Paul Saxe
+@Date 17-July-91
+
+#reference 13
+Changing the form of the out-of-plane automatic parameters to reflect
+the documentation.
+@Author Jon Hurley
+@Date 15-Oct-91
+
+#reference 14
+Adding in three new atom types: pz, oz and sz for catalysis to server
+as stubs for user modification. Currently there are simply parameters
+for silicate, copied directly from previous si and o parameters.
+@Author Paul Saxe
+@Date 07-Nov-91
+
+#reference 15
+Adding a torsion parametr, cp cp o c = 1.8 so that the rotation barrier
+around bond cp-o in anisole matches the experimental value ~3.0kcal/mole
+and the equilibrium geometry of anisole has torsion angle cp-cp-o-c =0
+@Author Shenghua Shi
+@Date 28-Feb-92
+
+#reference 16
+Adding a new bond increments: cp-o in analogy to cp-oh, but smaller (from cff91)
+@Author Shenghua Shi
+@Date 3-March-92
+
+#reference 17
+Changing torsion parameter, cp cp c cp, from 0, 0, 0, to 0.675, 4, 0,
+to fit the ab initio results (from polymer).
+@Author Shenghua Shi
+@Date 16-March-92
+
+#reference 18
+Automatic parameter assignment included
+@Author Shenghua Shi
+@Date 18-August-92
+
+#reference 19
+For conjugated systems
+@Author Shenghua Shi
+@Date 18-August-92
+
+#reference 20
+Atom type for Calcium ion - Ca++ has been changed to ca+
+@Author Shenghua Shi
+@Date 31-August-92
+
+#reference 21
+Atom type c" has been changed to c*
+@Author Shenghua Shi
+@Date 19-October-92
+
+#reference 22
+Atom type no for nitros has been added
+@Author Tom Thacher
+@Date 19-October-93
+
+#reference 23
+The following atom types have been added
+sz,oz,az,pz,ga,ge,tioc,titd,li+,na+,k+,rb+,cs+,
+mg2+,ca2+,ba2+,cu2+,cl-,br-,i-,and so4
+@Author Behnam Vessal
+@Date 26-August-94
+
+#reference 24
+The following atom types have been added
+sy,oy,ay,nac+,mg2c,fe2c, and hocl
+@Author Behnam Vessal
+@Date 14-November-94
+
+#reference 25
+The following atom types have been added
+mn4c,mn3c,co2c,ni2c, and lic+
+@Author Behnam Vessal
+@Date 14-November-94
+
+#reference 26
+The following atom types have been added
+f-
+@Author Behnam Vessal
+@Date 3-March-95
+
+#reference 27
+The following atom types have been added
+pd2+
+@Author Behnam Vessal
+@Date 7-March-95
+
+#reference 33
+The following atom types have been added
+beoh
+@Author Behnam Vessal
+@Date 24-March-95
+
+#reference 34
+The following atom types have been added
+py,vy,ayt
+@Author Behnam Vessal
+@Date 9-May-95
+
+#reference 35
+The following atom types have been added
+ti4c,ca2c,sr2c
+@Author Behnam Vessal
+@Date 12-May-95
+
+#reference 36
+The following atom types have been added
+so4y,nh4+,cly-
+@Author Behnam Vessal
+@Date 18-May-95
+
+#end
diff --git a/tools/msi2lmp/biosym_frc_files/pcff.frc b/tools/msi2lmp/biosym_frc_files/pcff.frc
new file mode 100644
index 0000000000..6ef294eb18
--- /dev/null
+++ b/tools/msi2lmp/biosym_frc_files/pcff.frc
@@ -0,0 +1,5581 @@
+!BIOSYM forcefield 1
+
+#version pcff.frc 1.0 1-July-91
+#version pcff.frc 2.0 1-March-92
+#version pcff.frc 2.1 1-October-93
+#version pcff.frc 2.2 1-November-94
+#version pcff.frc 3.0 1-March-95
+#version pcff.frc 3.1 1-April-96
+
+#define cff91
+
+
+!Ver Ref Function Label
+!--- --- ------------------------------ ------
+ 1.0 1 atom_types cff91
+ 1.0 1 equivalence cff91
+ 2.0 1 auto_equivalence cff91_auto
+ 2.0 1 bond_increments cff91_auto
+ 2.0 1 quadratic_bond cff91_auto
+ 1.0 1 quartic_bond cff91
+ 2.0 1 quadratic_angle cff91_auto
+ 1.0 1 quartic_angle cff91
+ 2.0 1 torsion_1 cff91_auto
+ 1.0 1 torsion_3 cff91
+ 2.0 2 wilson_out_of_plane cff91 cff91_auto
+ 2.0 1 nonbond(9-6) cff91
+ 1.0 1 bond-bond cff91
+ 1.0 1 bond-bond_1_3 cff91
+ 1.0 1 bond-angle cff91
+ 1.0 1 angle-angle cff91
+ 1.0 1 end_bond-torsion_3 cff91
+ 1.0 1 middle_bond-torsion_3 cff91
+ 1.0 1 angle-torsion_3 cff91
+ 1.0 1 angle-angle-torsion_1 cff91
+ 1.0 1 torsion-torsion_1 cff91
+
+
+#atom_types cff91
+
+> Atom type definitions for any variant of cff91
+> Masses from CRC 1973/74 pages B-250.
+
+!Ver Ref Type Mass Element connection Comment
+!--- --- ----- ---------- ------- ---------- ---------------------------
+ 2.1 11 Ag 107.86800 Ag 0 Silver metal
+ 2.1 11 Al 26.98200 Al 0 Aluminium metal
+ 2.1 11 Au 196.96700 Au 0 Gold metal
+ 1.0 1 Br 79.90900 Br 1 bromine ion
+ 1.0 1 Cl 35.45300 Cl 1 chlorine ion
+ 2.1 11 Cr 51.99600 Cr 0 Chromium metal
+ 2.1 11 Cu 63.54600 Cu 0 Copper metal
+ 2.1 11 Fe 55.84700 Fe 0 Iron metal
+ 2.1 11 K 39.10200 K 0 Potassium metal
+ 2.1 11 Li 6.94000 Li 0 Lithium metal
+ 2.1 11 Mo 95.94000 Mo 0 Molybdenum metal
+ 2.1 11 Na 22.99000 Na 0 Sodium metal
+ 2.1 11 Ni 58.71000 Ni 0 Nickel metal
+ 2.1 11 Pb 207.20000 Pb 0 Lead metal
+ 2.1 11 Pd 106.40000 Pd 0 Palladium metal
+ 2.1 11 Pt 195.09000 Pt 0 Platinum metal
+ 2.1 11 Sn 118.69000 Sn 0 Tin metal
+ 2.1 11 W 183.85000 W 0 Tungsten metal
+ 2.1 8 ar 39.94400 Ar 0 Argon
+ 3.0 10 az 26.98200 Al 4 aluminium atom in zeolites
+ 1.0 1 br 79.90900 Br 1 bromine atom
+ 1.0 1 c 12.01115 C 4 generic SP3 carbon
+ 1.0 1 c+ 12.01115 C 3 C in guanidinium group
+ 1.0 1 c- 12.01115 C 3 C in charged carboxylate
+ 1.0 1 c1 12.01115 C 4 sp3 carbon with 1 H 3 heavies
+ 1.0 1 c2 12.01115 C 4 sp3 carbon with 2 H's, 2 Heavy's
+ 1.0 1 c3 12.01115 C 4 sp3 carbon with 3 hHs 1 heavy
+ 1.0 1 c3h 12.01115 C 4 sp3 carbon in 3-membered ring with hydrogens
+ 1.0 1 c3m 12.01115 C 4 sp3 carbon in 3-membered ring
+ 1.0 1 c4h 12.01115 C 4 sp3 carbon in 4-membered ring with hydrogens
+ 1.0 1 c4m 12.01115 C 4 sp3 carbon in 4-membered ring
+ 1.0 1 c5 12.01115 C 3 sp2 aromatic carbon in 5-membered ring
+ 1.0 1 c= 12.01115 C 3 non aromatic end doubly bonded carbon
+ 1.0 1 c=1 12.01115 C 3 non aromatic, next to end doubly bonded carbon
+ 1.0 1 c=2 12.01115 C 3 non aromatic doubly bonded carbon
+ 2.1 8 c_0 12.01115 C 3 carbonyl carbon of aldehydes, ketones
+ 2.1 8 c_1 12.01115 C 3 carbonyl carbon of acid, ester, amide
+ 2.1 8 c_2 12.01100 C 3 carbonyl carbon of carbamate, urea
+ 1.0 1 c_a 12.01115 C 4 general amino acid alpha carbon (sp3)
+ 1.0 1 ca+ 40.08000 Ca 1 calcium ion
+ 1.0 1 cg 12.01115 C 4 sp3 alpha carbon in glycine
+ 1.0 1 ci 12.01115 C 3 sp2 aromatic carbon in charged imidazole ring (His+)
+ 1.0 1 cl 35.45300 Cl 1 chlorine atom
+ 1.0 1 co 12.01115 C 4 sp3 carbon in acetals
+ 1.0 1 coh 12.01115 C 4 sp3 carbon in acetals with hydrogen
+ 1.0 1 cp 12.01115 C 3 sp2 aromatic carbon
+ 1.0 1 cr 12.01115 C 3 C in neutral arginine
+ 1.0 1 cs 12.01115 C 3 sp2 aromatic carbon in 5 membered ring next to S
+ 1.0 1 ct 12.01115 C 2 sp carbon involved in a triple bond
+ 2.0 5 cz 12.01100 C 3 carbonyl carbon of carbonate
+ 1.0 1 dw 2.01400 D 1 deuterium in heivy water
+ 2.1 8 f 18.99840 F 1 fluorine atom
+ 1.0 1 h 1.00797 H 1 generic hydrogen bound to C, Si,or H
+ 1.0 1 h* 1.00797 H 1 hydrogen bonded to nitrogen, Oxygen
+ 1.0 1 h+ 1.00797 H 1 charged hydrogen in cations
+ 3.0 10 hb 1.00782 H 1 hydrogen atom in bridging hydroxyl group
+ 1.0 1 hc 1.00797 H 1 hydrogen bonded to carbon
+ 2.1 8 he 4.00300 He 0 Helium
+ 1.0 1 hi 1.00797 H 1 Hydrogen in charged imidazole ring
+ 1.0 1 hn 1.00797 H 1 hydrogen bonded to nitrogen
+ 2.1 8 hn2 1.00800 H 1 amino hydrogen
+ 1.0 1 ho 1.00797 H 1 hydrogen bonded to oxygen
+ 2.1 8 ho2 1.00800 H 1 hydroxyl hydrogen
+ 3.0 10 hoa 1.00782 H 1 hydrogen atom in terminal hydroxyl group on aluminium
+ 3.0 10 hos 1.00782 H 1 hydrogen atom in terminal hydroxyl group on silicon
+ 1.0 1 hp 1.00797 H 1 hydrogen bonded to phosphorus
+ 1.0 1 hs 1.00797 H 1 hydrogen bonded to sulfur
+ 2.2 9 hsi 1.00800 H 1 silane hydrogen
+ 1.0 1 hw 1.00797 H 1 hydrogen in water
+ 1.0 1 i 126.90440 I 1 iodine atom
+ 2.1 8 kr 83.80000 Kr 0 Krypton
+ 1.0 1 n 14.00670 N 3 generic sp2 nitrogen (in amids))
+ 1.0 1 n+ 14.00670 N 4 sp3 nitrogen in protonated amines
+ 1.0 1 n1 14.00670 N 3 sp2 nitrogen in charged arginine
+ 1.0 1 n2 14.00670 N 3 sp2 nitrogen (NH2) in guanidinium group (HN=C(NH2)2)
+ 1.0 1 n3m 14.00670 N 3 sp3 nitrogen in 3- membered ring
+ 1.0 1 n3n 14.00670 N 3 sp2 nitrogen in 3- membered ring
+ 1.0 1 n4 14.00670 N 4 sp3 nitrogen in protonated amines
+ 1.0 1 n4m 14.00670 N 3 sp3 nitrogen in 4- membered ring
+ 1.0 1 n4n 14.00670 N 3 sp2 nitrogen in 4- membered ring
+ 1.0 1 n= 14.00670 N 2 non aromatic end doubly bonded nitrogen
+ 1.0 1 n=1 14.00670 N 2 non aromatic, next to end doubly bonded carbon
+ 1.0 1 n=2 14.00670 N 2 non aromatic doubly bonded nitrogen
+ 1.0 1 n_2 14.01000 N 3 nitrogen of urethane
+ 1.0 1 na 14.00670 N 3 sp3 nitrogen in amines
+ 1.0 1 nb 14.00670 N 3 sp2 nitrogen in aromatic amines
+ 2.1 8 ne 20.18300 Ne 0 Neon
+ 1.0 1 nh 14.00670 N 3 sp2 nitrogen in 5 or 6 membered ring
+ 1.0 1 nh+ 14.00670 N 3 protonated nitrogen in 6 membered ring
+ 1.0 1 nho 14.00670 N 3 sp2 nitrogen in 6 membered ring next to a carbonyl
+ 1.0 1 ni 14.00670 N 3 nitrogen in charged imidazole ring
+ 1.0 1 nn 14.00670 N 3 sp2 nitrogen in aromatic amines
+ 1.0 1 np 14.00670 N 2 sp2 nitrogen in 5- or 6- membered ring
+ 1.0 1 npc 14.00670 N 3 sp2 nitrogen in 5- or 6- membered ring and with a heavy atom
+ 1.0 1 nr 14.00670 N 3 sp2 nitrogen (NH2) in guanidinium group (HN=C(NH2)2)
+ 1.0 1 nt 14.00670 N 1 sp nitrogen involved in a triple bond
+ 1.0 1 nz 14.00670 N 1 sp3 nitrogen bonded to two atoms
+ 1.0 1 o 15.99940 O 2 generic SP3 oxygen
+ 1.0 1 o* 15.99940 O 2 oxygen in water
+ 1.0 1 o- 15.99940 O 1 partial double oxygen
+ 1.0 1 o3e 15.99940 O 2 sp3 oxygen in three membered ring
+ 1.0 1 o4e 15.99940 O 2 sp3 oxygen in four membered ring
+ 2.1 8 o= 15.99940 O 1 oxygen double bonded to O, C, S, N, P
+ 2.1 8 o_1 15.99940 O 1 oxygen in carbonyl group
+ 2.1 8 o_2 15.99940 O 2 ester oxygen
+ 3.0 10 oah 15.99491 O 2 oxygen atom in terminal hydroxyl group on aluminium
+ 3.0 10 oas 15.99491 O 2 oxygen atom between aluminium and silicon
+ 3.0 10 ob 15.99491 O 3 oxygen atom in bridging hydroxyl group
+ 1.0 1 oc 15.99940 O 2 sp3 oxygen in ether or acetals
+ 1.0 1 oe 15.99940 O 2 sp3 oxygen in ester
+ 1.0 1 oh 15.99940 O 2 oxygen bonded to hydrogen
+ 2.0 5 oo 15.99940 O 1 oxygen in carbonyl group, carbonate only
+ 1.0 1 op 15.99940 O 2 sp2 aromatic in 5 membered ring
+ 3.0 10 osh 15.99491 O 2 oxygen atom in terminal hydroxyl group on silicon
+ 1.0 1 osi 16.00000 O 2 siloxane oxygen
+ 3.0 10 oss 15.99491 O 2 oxygen atom betweem two silicons
+ 2.0 5 oz 15.99940 O 2 ester oxygen in carbonate
+ 1.0 1 p 30.97380 P 4 general phosphorous atom
+ 1.0 1 p= 30.97380 P 5 phosphazene phosphorous atom
+ 1.0 1 s 32.06400 S 2 sp3 sulfur
+ 1.0 1 s' 32.06400 S 1 S in thioketone group
+ 1.0 1 s- 32.06400 S 1 partial double sulfur
+ 1.0 1 s1 32.06400 S 2 sp3 sulfur involved in (S-S) group of disulfides
+ 1.0 1 s3e 32.06400 S 2 sulfur in three membered ring
+ 1.0 1 s4e 32.06400 S 2 sulfur in four membered ring
+ 1.0 1 sc 32.06400 S 2 sp3 sulfur in methionines (C-S-C) group
+ 1.0 1 sf 32.06400 S 1 S in sulfonate group
+ 1.0 1 sh 32.06400 S 2 sp3 sulfur in sulfhydryl (-SH) group (e.g. cysteine)
+ 1.0 1 si 28.08600 Si 4 silicon atom
+ 1.0 1 sio 28.08600 Si 4 siloxane silicon
+ 1.0 1 sp 32.06400 S 2 sulfur in an aromatic ring (e.g. thiophene)
+ 3.0 10 sz 28.08600 Si 4 silicon atom in zeolites
+ 2.1 8 xe 131.30000 Xe 0 Xenon
+
+
+#equivalence cff91
+
+! Equivalences
+! ------------------------------------------
+!Ver Ref Type NonB Bond Angle Torsion OOP
+!--- --- ----- ----- ----- ----- ------- -----
+ 2.1 11 Ag Ag Ag Ag Ag Ag
+ 2.1 11 Al Al Al Al Al Al
+ 2.1 11 Au Au Au Au Au Au
+ 1.0 1 Br Br Br Br Br Br
+ 1.0 1 Cl Cl Cl Cl Cl Cl
+ 2.1 11 Cr Cr Cr Cr Cr Cr
+ 2.1 11 Cu Cu Cu Cu Cu Cu
+ 2.1 11 Fe Fe Fe Fe Fe Fe
+ 2.1 11 K K K K K K
+ 2.1 11 Li Li Li Li Li Li
+ 2.1 11 Mo Mo Mo Mo Mo Mo
+ 2.1 11 Na Na Na Na Na Na
+ 1.0 1 Na Na Na Na Na Na
+ 2.1 11 Ni Ni Ni Ni Ni Ni
+ 2.1 11 Pb Pb Pb Pb Pb Pb
+ 2.1 11 Pd Pd Pd Pd Pd Pd
+ 2.1 11 Pt Pt Pt Pt Pt Pt
+ 2.1 11 Sn Sn Sn Sn Sn Sn
+ 2.1 11 W W W W W W
+ 2.1 8 ar ar ar ar ar ar
+ 3.0 10 az az az az az az
+ 1.0 1 br br br br br br
+ 1.0 1 c c c c c c
+ 1.0 1 c+ c+ c+ c+ c+ c+
+ 1.0 1 c- c- c- c- c- c-
+ 1.0 1 c1 c c c c c
+ 1.0 1 c2 c c c c c
+ 1.0 1 c3 c c c c c
+ 1.0 1 c3h c c c c c
+ 1.0 1 c3m c c c c c
+ 1.0 1 c4h c c c c c
+ 1.0 1 c4m c c c c c
+ 1.0 1 c5 cp cp cp cp cp
+ 1.0 1 c= c= c= c= c= c=
+ 1.0 1 c=1 c= c=1 c= c=1 c=
+ 1.0 1 c=2 c= c=2 c= c=2 c=
+ 1.0 1 c_0 c_0 c_0 c_0 c_0 c_0
+ 1.0 1 c_1 c_1 c_1 c_1 c_1 c_1
+ 1.0 1 c_2 c_2 c_2 c_2 c_2 c_2
+ 1.0 1 c_a c c c c c
+ 1.0 1 ca+ ca+ ca+ ca+ ca+ ca+
+ 1.0 1 cg c c c c c
+ 1.0 1 ci cp cp cp cp cp
+ 1.0 1 cl cl cl cl cl cl
+ 1.0 1 co c c c c c
+ 1.0 1 coh c c c c c
+ 1.0 1 cp cp cp cp cp cp
+ 1.0 1 cr cr cr cr cr cr
+ 1.0 1 cs cp cp cp cp cp
+ 1.0 1 ct ct ct ct ct ct
+ 2.0 5 cz cz cz cz cz cz
+ 1.0 1 dw h* h* h* h* h*
+ 1.0 1 f f f f f f
+ 1.0 1 h h h h h h
+ 1.0 1 h* h* h* h* h* h*
+ 1.0 1 h+ h+ h+ h+ h+ h+
+ 3.0 10 hb hb hb hb hb hb
+ 1.0 1 hc h h h h h
+ 2.1 8 he he he he he he
+ 1.0 1 hi h* hi h* h* h*
+ 1.0 1 hn h* h* h* h* h*
+ 1.0 1 hn2 hn2 hn2 hn2 hn2 hn2
+ 1.0 1 ho h* h* h* h* h*
+ 1.0 1 ho2 ho2 ho2 ho2 ho2 ho2
+ 3.0 10 hoa hoa hoa hoa hoa hoa
+ 3.0 10 hos hos hos hos hos hos
+ 1.0 1 hp h h h h h
+ 1.0 1 hs h h h h h
+ 2.0 1 hsi hsi h h h h
+ 1.0 1 hw h* h* h* h* h*
+ 1.0 1 i i i i i i
+ 2.1 8 kr kr kr kr kr kr
+ 1.0 1 n n n n n n
+ 1.0 1 n+ n+ n+ n+ n+ n+
+ 1.0 1 n1 nr nr nr nr nr
+ 1.0 1 n2 nr nr nr nr nr
+ 1.0 1 n3m na na na na na
+ 1.0 1 n3n n n n n n
+ 1.0 1 n4 n+ n+ n+ n+ n+
+ 1.0 1 n4m na na na na na
+ 1.0 1 n4n n n n n n
+ 1.0 1 n= n= n= n= n= n=
+ 1.0 1 n=1 n= n=1 n= n=1 n=
+ 1.0 1 n=2 n= n=2 n= n=2 n=
+ 1.0 1 n_2 n_2 n_2 n_2 n_2 n_2
+ 1.0 1 na na na na na na
+ 1.0 1 nb nn nn nn nn nn
+ 2.1 8 ne ne ne ne ne ne
+ 1.0 1 nh nh nh nh nh nh
+ 1.0 1 nh+ nh nh+ nh nh nh
+ 1.0 1 nho nh nh nh nh nh
+ 1.0 1 ni nh nh nh nh nh
+ 1.0 1 nn nn nn nn nn nn
+ 1.0 1 np np np np np np
+ 1.0 1 npc nh nh nh nh nh
+ 1.0 1 nr nr nr nr nr nr
+ 1.0 1 nt nt nt nt nt nt
+ 1.0 1 nz nz nz nz nz nz
+ 1.0 1 o o o o o o
+ 1.0 1 o* o* o* o* o* o*
+ 1.0 1 o- o- o- o- o- o-
+ 1.0 1 o3e o o o o o
+ 1.0 1 o4e o o o o o
+ 1.0 1 o= o= o= o- o- o-
+ 1.0 1 o_1 o_1 o_1 o_1 o_1 o_1
+ 1.0 1 o_2 o_2 o_2 o_2 o_2 o_2
+ 3.0 10 oah oah oah oah oah oah
+ 3.0 10 oas oas oas oas oas oas
+ 3.0 10 ob ob ob ob ob ob
+ 1.0 1 oc o o o o o
+ 1.0 1 oe o o o o o
+ 1.0 1 oh o o o o o
+ 2.0 5 oo oo oo oo oo oo
+ 1.0 1 op op op op op op
+ 3.0 10 osh osh osh osh osh osh
+ 1.0 1 osi osi osi osi osi osi
+ 3.0 10 oss oss oss oss oss oss
+ 2.0 5 oz oz oz oz oz oz
+ 1.0 1 p p p p p p
+ 1.0 1 p= p= p= p= p= p=
+ 1.0 1 s s s s s s
+ 1.0 1 s' s' s' s' s' s'
+ 1.0 1 s- sp sp sp sp sp
+ 1.0 1 s1 s s s s s
+ 1.0 1 s3e s s s s s
+ 1.0 1 s4e s s s s s
+ 1.0 1 sc s s s s s
+ 1.0 1 sf s' s' s' s' s'
+ 1.0 1 sh s s s s s
+ 1.0 1 si si si si si si
+ 1.0 1 sio sio sio sio sio sio
+ 1.0 1 sp sp sp sp sp sp
+ 3.0 10 sz sz sz sz sz sz
+ 2.1 8 xe xe xe xe xe xe
+
+
+#auto_equivalence cff91_auto
+
+! Equivalences
+! ------------------------------------------
+!Ver Ref Type NonB Bond Bond Angle Angle Torsion Torsion OOP OOP
+! Inct End atom Apex atom End Atoms Center Atoms End Atom Center Atom
+!---- --- ---- ---- ------ ---- ---------- --------- --------- ----------- -------- -----------
+ 2.0 1 Br Br Br Br_ Br_ Br_ Br_ Br_ Br_ Br_
+ 2.0 1 Cl Cl Cl Cl_ Cl_ Cl_ Cl_ Cl_ Cl_ Cl_
+ 2.0 1 Na Na Na Na_ Na_ Na_ Na_ Na_ Na_ Na_
+ 2.1 8 ar ar ar ar_ ar_ ar_ ar_ ar_ ar_ ar_
+ 2.0 1 br br br br_ br_ br_ br_ br_ br_ br_
+ 2.0 1 c c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 1 c+ c+ c+ cr_ c_ c'_ c_ c+_ c_ c'_
+ 2.0 1 c- c- c- c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 1 c1 c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 1 c2 c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 1 c3 c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 1 c3h c c c3m_ c3m_ c3m_ c_ c_ c_ c_
+ 2.0 1 c3m c c c3m_ c3m_ c3m_ c_ c_ c_ c_
+ 2.0 1 c4h c c c4m_ c4m_ c4m_ c_ c_ c_ c_
+ 2.0 1 c4m c c c4m_ c4m_ c4m_ c_ c_ c_ c_
+ 2.0 1 c5 cp cp cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 1 c= c= c= c=_3 c_ c=_ c_ c=_3 c_ c=_
+ 2.0 1 c=1 c= c= c=_1 c_ c=_ c_ c=_1 c_ c=_
+ 2.0 1 c=2 c= c= c=_2 c_ c=_ c_ c=_2 c_ c=_
+ 2.0 1 c_0 c_0 c_0 c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 1 c_1 c_1 c_1 c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 1 c_2 c_2 c_2 c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 1 c_a c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 1 ca+ ca+ ca+ ca_ ca_ ca_ ca_ ca_ ca_ ca_
+ 2.0 1 cg c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 1 ci cp ci ci_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 1 cl cl cl cl_ cl_ cl_ c_ cl_ cl_ cl_
+ 2.0 1 co c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 1 coh c c c_ c_ c_ c_ c_ c_ c_
+ 2.0 1 cp cp cp cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 1 cr cr cr cr_ c_ c'_ c_ c=_3 c_ c'_
+ 2.0 1 cs cp cp cp_ c_ cp_ c_ cp_ c_ cp_
+ 2.0 1 ct ct ct ct_ c_ ct_ c_ ct_ c_ ct_
+ 2.0 5 cz cz cz c'_ c_ c'_ c_ c'_ c_ c'_
+ 2.0 1 dw h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 f f f f_ f_ f_ f_ f_ f_ f_
+ 2.0 1 h h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 h* h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 h+ h+ h+ h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 hc h h h_ h_ h_ h_ h_ h_ h_
+ 2.1 8 he he he he_ he_ he_ he_ he_ he_ he_
+ 2.0 1 hi h* hi h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 hn h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 hn2 hn2 hn2 h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 ho h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 ho2 ho2 ho2 h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 hp h h h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 hs h h h_ h_ h_ h_ h_ h_ h_
+ 2.2 9 hsi hsi hsi h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 hw h* h* h_ h_ h_ h_ h_ h_ h_
+ 2.0 1 i i i i_ i_ i_ i_ i_ i_ i_
+ 2.1 8 kr kr kr kr_ kr_ kr_ kr_ kr_ kr_ kr_
+ 2.0 1 n n n n_ n_ n_ n_ n_ n_ n_
+ 2.0 1 n+ n+ n+ n+_ n_ na_ n_ na_ n_ na_
+ 2.0 1 n1 nr nr n_ n_ n_ n_ n_ n_ nr_
+ 2.0 1 n2 nr nr n_ n_ n_ n_ n_ n_ nr_
+ 2.0 1 n3m na na n3m_ n3m_ n3m_ n_ na_ n_ na_
+ 2.0 1 n3n n n n3m_ n3m_ n3m_ n_ n3n_ n_ n_
+ 2.0 1 n4 n+ n+ n+_ n_ na_ n_ na_ n_ na_
+ 2.0 1 n4m na na n4m_ n4m_ n4m_ n_ na_ n_ na_
+ 2.0 1 n4n n n n4m_ n4m_ n4m_ n_ n_ n_ n_
+ 2.0 1 n= n= n= n=_3 n_ n_ n_ n=_3 n_ n=_
+ 2.0 1 n=1 n= n= n=_1 n_ n_ n_ n=_1 n_ n=_
+ 2.0 1 n=2 n= n= n=_2 n_ n_ n_ n=_2 n_ n=_
+ 2.0 1 n_2 n_2 n_2 n_ n_ n_ n_ n=_2 n_ n=_
+ 2.0 1 na na na na_ n_ na_ n_ na_ n_ na_
+ 2.0 1 nb nn nn np_ n_ n_ n_ n_ n_ n_
+ 2.1 8 ne ne ne ne_ ne_ ne_ ne_ ne_ ne_ ne_
+ 2.0 1 nh nh nh np_ n_ np_ n_ np_ n_ np_
+ 2.0 1 nh+ nh nh+ np_ n_ np_ n_ np_ n_ np_
+ 2.0 1 nho nh nh np_ n_ np_ n_ np_ n_ np_
+ 2.0 1 ni nh nh ni_ n_ np_ n_ np_ n_ np_
+ 2.0 1 nn nn nn na_ n_ n_ n_ n_ n_ n_
+ 2.0 1 np np np np_ n_ np_ n_ np_ n_ np_
+ 2.0 1 npc nh nh np_ n_ np_ n_ np_ n_ np_
+ 2.0 1 nr nr nr n_ n_ n_ n_ n_ n_ nr_
+ 2.0 1 nt nt nt nt_ n_ nt_ n_ nt_ n_ nt_
+ 2.0 1 nz nz nz nz_ n_ nz_ n_ nz_ n_ nz_
+ 2.0 1 o o o o_ o_ o_ o_ o_ o_ o_
+ 2.0 1 o* o* o* o_ o_ o*_ o_ o_ o_ o_
+ 2.0 1 o- o- o- o-_ o'_ o'_ o_ o'_ o_ o'_
+ 2.0 1 o3e o o o3e_ o3e_ o3e_ o_ o_ o_ o_
+ 2.0 1 o4e o o o4e_ o4e_ o4e_ o_ o_ o_ o_
+ 2.0 1 o= o- o- o-_ o'_ o'_ o_ o'_ o_ o'_
+ 2.0 1 o_1 o_1 o_1 o'_ o'_ o'_ o_ o'_ o_ o'_
+ 2.0 1 o_2 o_2 o_2 o'_ o'_ o'_ o_ o'_ o_ o'_
+ 2.0 1 oc o o o_ o_ o_ o_ o_ o_ o_
+ 2.0 1 oe o o o_ o_ o_ o_ o_ o_ o_
+ 2.0 1 oh o o o_ o_ o_ o_ o_ o_ o_
+ 2.0 5 oo oo oo o'_ o'_ o'_ o_ o'_ o_ o'_
+ 2.0 1 op op op op_ o_ op_ o_ o_ o_ op_
+ 2.0 1 osi osi osi o_ o_ o_ o_ o_ o_ o_
+ 2.0 5 oz oz oz o'_ o'_ o'_ o_ o'_ o_ o'_
+ 2.0 1 p p p p_ p_ p_ p_ p_ p_ p_
+ 2.0 1 p= p= p= p_ p_ p_ p_ p_ p_ p_
+ 2.0 1 s s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 1 s' s s' s'_ s'_ s_ s_ s_ s_ s_
+ 2.0 1 s- s s- s-_ s'_ s'_ s_ s'_ s_ s'_
+ 2.0 1 s1 s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 1 s3e s s s3e_ s3e_ s3e_ s_ s_ s_ s_
+ 2.0 1 s4e s s s4e_ s4e_ s4e_ s_ s_ s_ s_
+ 2.0 1 sc s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 1 sf s s' s'_ s'_ s_ s_ s_ s_ s_
+ 2.0 1 sh s s s_ s_ s_ s_ s_ s_ s_
+ 2.0 1 si si si si_ si_ si_ si_ si_ si_ si_
+ 2.0 1 sio sio sio si_ si_ si_ si_ si_ si_ si_
+ 2.0 1 sp sp sp sp_ s_ sp_ s_ sp_ s_ sp_
+ 2.1 8 xe xe xe xe_ xe_ xe_ xe_ xe_ xe_ xe_
+
+
+#bond_increments cff91_auto
+
+!Ver Ref I J DeltaIJ DeltaJI
+!--- --- ----- ----- ------- -------
+ 2.1 11 Ag Ag 0.0000 0.0000
+ 2.1 11 Al Al 0.0000 0.0000
+ 2.1 11 Au Au 0.0000 0.0000
+ 2.1 11 Cr Cr 0.0000 0.0000
+ 2.1 11 Cu Cu 0.0000 0.0000
+ 2.1 11 Fe Fe 0.0000 0.0000
+ 2.1 11 K K 0.0000 0.0000
+ 2.1 11 Li Li 0.0000 0.0000
+ 2.1 11 Mo Mo 0.0000 0.0000
+ 2.1 11 Na Na 0.0000 0.0000
+ 2.1 11 Ni Ni 0.0000 0.0000
+ 2.1 11 Pb Pb 0.0000 0.0000
+ 2.1 11 Pd Pd 0.0000 0.0000
+ 2.1 11 Pt Pt 0.0000 0.0000
+ 2.1 11 Sn Sn 0.0000 0.0000
+ 2.1 11 W W 0.0000 0.0000
+ 3.0 10 az oah 0.3013 -0.3013
+ 3.0 10 az oas 0.1694 -0.1694
+ 3.0 10 az ob 0.0284 -0.0284
+ 2.0 2 br br 0.0000 0.0000
+ 2.1 8 br c -0.1600 0.1600
+ 2.0 2 br c- -0.0281 0.0281
+ 2.0 3 br c= -0.0800 0.0800
+ 2.0 3 br c=1 -0.0800 0.0800
+ 2.0 3 br c=2 -0.0800 0.0800
+ 2.0 3 br c_0 -0.0800 0.0800
+ 2.0 3 br c_1 -0.0800 0.0800
+ 2.0 2 br cl 0.0507 -0.0507
+ 2.0 3 br cp -0.0800 0.0800
+ 2.0 2 br ct 0.0173 -0.0173
+ 2.0 2 br f 0.2099 -0.2099
+ 2.0 2 br h -0.1978 0.1978
+ 2.0 2 br i -0.0110 0.0110
+ 2.0 2 br n 0.1422 -0.1422
+ 2.0 2 br n+ 0.2452 0.0048
+ 2.0 2 br n= 0.1422 -0.1422
+ 2.0 2 br n=1 0.1422 -0.1422
+ 2.0 2 br n=2 0.1422 -0.1422
+ 2.0 2 br na 0.0601 -0.0601
+ 2.0 2 br nh -0.0438 0.0438
+ 2.0 2 br nn 0.1422 -0.1422
+ 2.0 2 br np 0.1422 -0.1422
+ 2.0 2 br o 0.0818 -0.0818
+ 2.0 2 br op 0.3140 -0.3140
+ 2.0 2 br p -0.2156 0.2156
+ 2.0 2 br s -0.0437 0.0437
+ 2.0 2 br s' 0.0034 -0.0034
+ 2.0 2 br si -0.3273 0.3273
+ 2.0 2 br sp 0.0034 -0.0034
+ 1.0 1 c c 0.0000 0.0000
+ 1.0 1 c c- -0.2300 0.2300
+ 1.0 1 c c= 0.0000 0.0000
+ 1.0 1 c c=1 0.0000 0.0000
+ 1.0 1 c c=2 0.0000 0.0000
+ 1.0 1 c c_0 0.0000 0.0000
+ 1.0 1 c c_1 0.0000 0.0000
+ 2.1 8 c cl 0.1840 -0.1840
+ 1.0 1 c cp 0.0000 0.0000
+ 1.0 1 c cr 0.0000 0.0000
+ 1.0 1 c ct 0.0400 -0.0400
+ 2.1 8 c f 0.2500 -0.2500
+ 1.0 1 c h -0.0530 0.0530
+ 2.0 2 c i 0.1120 -0.1120
+ 1.0 1 c n 0.2108 -0.2108
+ 1.0 1 c n+ 0.4071 -0.1571
+ 1.0 1 c n= 0.3000 -0.3000
+ 1.0 1 c n=1 0.3000 -0.3000
+ 1.0 1 c n=2 0.3000 -0.3000
+ 2.1 7 c n_2 0.2100 -0.2100
+ 1.0 1 c na 0.0827 -0.0827
+ 1.0 2 c nh 0.0610 -0.0610
+ 1.0 2 c nn 0.2108 -0.2108
+ 1.0 3 c np 0.1100 -0.1100
+ 1.0 1 c nr 0.4802 -0.4802
+ 1.0 2 c nt 0.3640 -0.3640
+ 2.1 8 c o 0.1330 -0.1330
+ 2.1 6 c o_2 0.2250 -0.2250
+ 2.0 4 c oz 0.0500 -0.0500
+ 2.0 2 c p 0.0110 -0.0110
+ 3.1 12 c p= -0.0500 0.0500
+ 1.0 1 c s 0.0650 -0.0650
+ 2.2 9 c si -0.1350 0.1350
+ 2.0 2 c si -0.1767 0.1767
+ 1.0 4 c sio -0.1000 0.1000
+ 1.0 1 c+ nr 0.2653 0.0680
+ 2.0 2 c- c- 0.0000 0.0000
+ 2.0 2 c- c_0 0.1368 -0.1368
+ 2.0 2 c- c_1 0.1368 -0.1368
+ 2.0 2 c- cl 0.0747 -0.0747
+ 2.0 2 c- cp -0.0424 0.0424
+ 2.0 2 c- ct 0.0432 -0.0432
+ 2.0 2 c- f 0.2241 -0.2241
+ 1.0 1 c- h -0.0530 0.0530
+ 2.0 2 c- i 0.0185 -0.0185
+ 2.0 2 c- n 0.1607 -0.1607
+ 2.0 2 c- n+ 0.2597 -0.0097
+ 2.0 2 c- n= 0.1607 -0.1607
+ 2.0 2 c- n=1 0.1607 -0.1607
+ 2.0 2 c- n=2 0.1607 -0.1607
+ 2.0 2 c- nh -0.0176 0.0176
+ 2.0 2 c- nn 0.1607 -0.1607
+ 2.0 2 c- np 0.1607 -0.1607
+ 2.0 2 c- o 0.1012 -0.1012
+ 1.0 1 c- o- 0.0337 -0.5337
+ 2.0 2 c- o_1 0.3241 -0.3241
+ 2.0 2 c- op 0.3241 -0.3241
+ 2.0 2 c- p -0.0857 0.0857
+ 2.0 2 c- s -0.0087 0.0087
+ 2.0 2 c- s- -0.1223 -0.3777
+ 2.0 2 c- si -0.2775 0.2775
+ 2.0 1 c= c= 0.0000 0.0000
+ 2.0 1 c= c=1 0.0000 0.0000
+ 2.0 1 c= c=2 0.0000 0.0000
+ 2.0 2 c= c_0 0.0000 0.0000
+ 2.0 2 c= c_1 0.0000 0.0000
+ 2.0 3 c= cl 0.1020 -0.1020
+ 2.0 2 c= cp 0.0000 0.0000
+ 2.0 2 c= ct 0.0852 -0.0852
+ 2.0 3 c= f 0.1300 -0.1300
+ 1.0 1 c= h -0.1268 0.1268
+ 2.0 2 c= i 0.0642 -0.0642
+ 1.0 1 c= n 0.0000 0.0000
+ 2.0 2 c= n+ 0.2989 -0.0489
+ 2.0 3 c= n= 0.3000 -0.3000
+ 2.0 3 c= n=1 0.3000 -0.3000
+ 2.0 3 c= n=2 0.3000 -0.3000
+ 3.1 12 c= n_2 0.1000 -0.1000
+ 1.0 1 c= na 0.0000 0.0000
+ 1.0 1 c= nh 0.0000 0.0000
+ 2.0 2 c= nn 0.0000 0.0000
+ 1.0 1 c= np 0.0000 0.0000
+ 1.0 1 c= o 0.0265 -0.0265
+ 2.0 2 c= o_1 0.3583 -0.3583
+ 2.0 2 c= op 0.3583 -0.3583
+ 2.0 2 c= p -0.0380 0.0380
+ 2.0 2 c= s -0.0120 0.0120
+ 2.0 2 c= s' 0.0732 -0.0732
+ 2.0 2 c= si -0.2270 0.2270
+ 2.0 2 c= sp 0.0732 -0.0732
+ 2.0 1 c=1 c=1 0.0000 0.0000
+ 2.0 1 c=1 c=2 0.0000 0.0000
+ 2.0 2 c=1 c_0 0.0000 0.0000
+ 2.0 2 c=1 c_1 0.0000 0.0000
+ 2.0 3 c=1 cl 0.1020 -0.1020
+ 2.0 2 c=1 cp 0.0000 0.0000
+ 2.0 2 c=1 ct 0.0852 -0.0852
+ 2.0 3 c=1 f 0.1300 -0.1300
+ 1.0 1 c=1 h -0.1268 0.1268
+ 2.0 2 c=1 i 0.0642 -0.0642
+ 1.0 1 c=1 n 0.0000 0.0000
+ 2.0 2 c=1 n+ 0.2989 -0.0489
+ 2.0 3 c=1 n= 0.3000 -0.3000
+ 2.0 3 c=1 n=1 0.3000 -0.3000
+ 2.0 3 c=1 n=2 0.3000 -0.3000
+ 1.0 1 c=1 na 0.0000 0.0000
+ 1.0 1 c=1 nh 0.0000 0.0000
+ 2.0 2 c=1 nn 0.0000 0.0000
+ 1.0 1 c=1 np 0.0000 0.0000
+ 1.0 1 c=1 o 0.0265 -0.0265
+ 2.0 2 c=1 o_1 0.3583 -0.3583
+ 2.0 2 c=1 op 0.3583 -0.3583
+ 2.0 2 c=1 p -0.0380 0.0380
+ 2.0 2 c=1 s -0.0120 0.0120
+ 2.0 2 c=1 s' 0.0732 -0.0732
+ 2.0 2 c=1 si -0.2270 0.2270
+ 2.0 2 c=1 sp 0.0732 -0.0732
+ 2.0 1 c=2 c=2 0.0000 0.0000
+ 2.0 2 c=2 c_0 0.0000 0.0000
+ 2.0 2 c=2 c_1 0.0000 0.0000
+ 2.0 3 c=2 cl 0.1020 -0.1020
+ 2.0 2 c=2 cp 0.0000 0.0000
+ 2.0 2 c=2 ct 0.0852 -0.0852
+ 2.0 3 c=2 f 0.1300 -0.1300
+ 1.0 1 c=2 h -0.1268 0.1268
+ 2.0 2 c=2 i 0.0642 -0.0642
+ 1.0 1 c=2 n 0.0000 0.0000
+ 2.0 2 c=2 n+ 0.2989 -0.0489
+ 2.0 3 c=2 n= 0.3000 -0.3000
+ 2.0 3 c=2 n=1 0.3000 -0.3000
+ 2.0 3 c=2 n=2 0.3000 -0.3000
+ 3.1 12 c=2 n_2 0.1000 -0.1000
+ 1.0 1 c=2 na 0.0000 0.0000
+ 1.0 1 c=2 nh 0.0000 0.0000
+ 2.0 2 c=2 nn 0.0000 0.0000
+ 1.0 1 c=2 np 0.0000 0.0000
+ 1.0 1 c=2 o 0.0265 -0.0265
+ 2.1 8 c=2 o= 0.1200 -0.1200
+ 2.0 2 c=2 o_1 0.3583 -0.3583
+ 2.0 2 c=2 op 0.3583 -0.3583
+ 2.0 2 c=2 p -0.0380 0.0380
+ 2.0 2 c=2 s -0.0120 0.0120
+ 2.0 2 c=2 s' 0.0732 -0.0732
+ 2.0 2 c=2 si -0.2270 0.2270
+ 2.0 2 c=2 sp 0.0732 -0.0732
+ 2.0 2 c_0 c_0 0.0000 0.0000
+ 2.0 2 c_0 c_1 0.0000 0.0000
+ 2.0 3 c_0 cl 0.1020 -0.1020
+ 2.0 2 c_0 cp 0.0000 0.0000
+ 2.0 2 c_0 ct -0.0927 0.0927
+ 2.0 3 c_0 f 0.1300 -0.1300
+ 1.0 1 c_0 h -0.0456 0.0456
+ 2.0 2 c_0 i -0.1291 0.1291
+ 1.0 1 c_0 n 0.0000 0.0000
+ 2.0 2 c_0 n+ 0.1331 0.1169
+ 2.0 2 c_0 n= 0.0362 -0.0362
+ 2.0 2 c_0 n=1 0.0362 -0.0362
+ 2.0 2 c_0 n=2 0.0362 -0.0362
+ 2.0 2 c_0 nh -0.1422 0.1422
+ 2.0 2 c_0 nn 0.0362 -0.0362
+ 2.0 2 c_0 np 0.0362 -0.0362
+ 2.0 2 c_0 nt 0.1641 -0.1641
+ 1.0 1 c_0 o 0.0030 -0.0030
+ 1.0 1 c_0 o_1 0.3964 -0.3964
+ 1.0 1 c_0 op 0.0283 -0.0283
+ 2.0 2 c_0 p -0.2396 0.2396
+ 2.0 2 c_0 s -0.0140 0.0140
+ 2.0 3 c_0 s' 0.0000 0.0000
+ 2.0 2 c_0 si -0.4405 0.4405
+ 1.0 1 c_0 sp -0.0130 0.0130
+ 2.0 2 c_1 c_1 0.0000 0.0000
+ 2.0 3 c_1 cl 0.1020 -0.1020
+ 2.1 6 c_1 cp 0.0180 -0.0180
+ 2.0 2 c_1 cp 0.0000 0.0000
+ 2.0 2 c_1 ct -0.0927 0.0927
+ 2.0 3 c_1 f 0.1300 -0.1300
+ 1.0 1 c_1 h -0.0456 0.0456
+ 2.0 2 c_1 i -0.1291 0.1291
+ 1.0 1 c_1 n 0.0000 0.0000
+ 2.0 2 c_1 n+ 0.1331 0.1169
+ 2.0 2 c_1 n= 0.0362 -0.0362
+ 2.0 2 c_1 n=1 0.0362 -0.0362
+ 2.0 2 c_1 n=2 0.0362 -0.0362
+ 2.1 7 c_1 n_2 0.1110 -0.1110
+ 2.0 2 c_1 nh -0.1422 0.1422
+ 2.0 2 c_1 nn 0.0362 -0.0362
+ 2.0 2 c_1 np 0.0362 -0.0362
+ 2.0 2 c_1 nt 0.1641 -0.1641
+ 1.0 1 c_1 o 0.0030 -0.0030
+ 2.1 6 c_1 o_1 0.5310 -0.5310
+ 2.1 6 c_1 o_2 0.1710 -0.1710
+ 1.0 1 c_1 op 0.0283 -0.0283
+ 2.0 2 c_1 p -0.2396 0.2396
+ 2.0 2 c_1 s -0.0140 0.0140
+ 2.0 3 c_1 s' 0.0000 0.0000
+ 2.0 2 c_1 si -0.4405 0.4405
+ 1.0 1 c_1 sp -0.0130 0.0130
+ 2.1 7 c_2 n_2 0.1110 -0.1110
+ 2.1 7 c_2 o_1 0.5850 -0.5850
+ 2.1 7 c_2 o_2 0.1890 -0.1890
+ 2.0 2 cl cl 0.0000 0.0000
+ 2.0 3 cl cp -0.1020 0.1020
+ 2.0 2 cl ct -0.0319 0.0319
+ 2.0 2 cl f 0.1589 -0.1589
+ 2.0 2 cl h -0.2404 0.2404
+ 2.0 2 cl i -0.0623 0.0623
+ 2.0 2 cl n 0.0897 -0.0897
+ 2.0 2 cl n+ 0.1858 0.0642
+ 2.0 2 cl n= 0.0897 -0.0897
+ 2.0 2 cl n=1 0.0897 -0.0897
+ 2.0 2 cl n=2 0.0897 -0.0897
+ 2.0 2 cl na 0.0117 -0.0117
+ 2.0 2 cl nh -0.0854 0.0854
+ 2.0 2 cl nn 0.0897 -0.0897
+ 2.0 2 cl np 0.0897 -0.0897
+ 2.0 2 cl o 0.0367 -0.0367
+ 2.0 2 cl op 0.2585 -0.2585
+ 2.0 2 cl p -0.2544 0.2544
+ 3.1 12 cl p= -0.1200 0.1200
+ 2.0 2 cl s -0.0898 0.0898
+ 2.0 2 cl s' -0.0457 0.0457
+ 2.0 2 cl si -0.3598 0.3598
+ 2.0 2 cl sp -0.0457 0.0457
+ 1.0 1 cp cp 0.0000 0.0000
+ 2.0 2 cp ct 0.0852 -0.0852
+ 2.0 3 cp f 0.1300 -0.1300
+ 1.0 1 cp h -0.1268 0.1268
+ 2.0 2 cp i 0.0642 -0.0642
+ 1.0 1 cp n 0.0000 0.0000
+ 2.0 2 cp n+ 0.2989 -0.0489
+ 2.0 2 cp n= 0.1993 -0.1993
+ 2.0 2 cp n=1 0.1993 -0.1993
+ 2.0 2 cp n=2 0.1993 -0.1993
+ 2.1 7 cp n_2 0.2370 -0.2370
+ 1.0 1 cp na 0.0000 0.0000
+ 1.0 1 cp nh -0.0500 0.0500
+ 1.0 1 cp nn 0.0827 -0.0827
+ 1.0 1 cp np 0.2405 -0.2405
+ 1.0 1 cp o 0.0265 -0.0265
+ 2.0 2 cp o_1 0.3964 -0.3964
+ 2.1 6 cp o_2 0.2790 -0.2790
+ 1.0 1 cp op 0.0283 -0.0283
+ 2.0 4 cp oz 0.1700 -0.1700
+ 1.0 2 cp p -0.0380 0.0380
+ 3.1 12 cp p= -0.0600 0.0600
+ 2.0 2 cp s -0.0120 0.0120
+ 2.0 2 cp s' 0.0732 -0.0732
+ 2.2 9 cp si -0.1170 0.1170
+ 2.0 2 cp si -0.2270 0.2270
+ 1.0 4 cp sio -0.1500 0.1500
+ 1.0 1 cp sp -0.0130 0.0130
+ 1.0 1 cr n= 0.4000 -0.4000
+ 1.0 1 cr n=1 0.4000 -0.4000
+ 1.0 1 cr n=2 0.4000 -0.4000
+ 2.0 2 cr nr 0.0000 -0.0000
+ 1.0 1 ct ct 0.0000 0.0000
+ 2.0 2 ct f 0.1873 -0.1873
+ 2.0 2 ct h -0.2052 0.2052
+ 2.0 2 ct i -0.0281 0.0281
+ 2.0 2 ct n 0.1204 -0.1204
+ 2.0 2 ct n+ 0.0992 0.1508
+ 2.0 2 ct n= 0.1204 -0.1204
+ 2.0 2 ct n=1 0.1204 -0.1204
+ 2.0 2 ct n=2 0.1204 -0.1204
+ 2.0 2 ct na -0.0636 0.0636
+ 2.0 2 ct nh -0.0568 0.0568
+ 2.0 2 ct nn 0.0920 -0.0920
+ 2.0 2 ct np 0.1204 -0.1204
+ 2.0 2 ct nt 0.1204 -0.1204
+ 2.0 2 ct o 0.0675 -0.0675
+ 2.0 2 ct p -0.1335 0.1335
+ 2.0 2 ct s -0.0522 0.0522
+ 2.0 2 ct si -0.3266 0.3266
+ 2.0 4 cz oo 0.5000 -0.5000
+ 2.0 4 cz oz 0.1000 -0.1000
+ 2.0 2 f f 0.0000 0.0000
+ 2.0 2 f h -0.3823 0.3823
+ 1.0 4 f h* -0.4089 0.4089
+ 2.0 2 f i -0.2234 0.2234
+ 2.0 2 f n -0.0731 0.0731
+ 2.0 2 f n+ 0.0062 0.2438
+ 2.0 2 f n= -0.0731 0.0731
+ 2.0 2 f n=1 -0.0731 0.0731
+ 2.0 2 f n=2 -0.0731 0.0731
+ 2.0 2 f na -0.1415 0.1415
+ 2.0 2 f nh -0.2220 0.2220
+ 2.0 2 f nn -0.0731 0.0731
+ 2.0 2 f np -0.0731 0.0731
+ 2.0 2 f o -0.1077 0.1077
+ 2.0 2 f op 0.0888 -0.0888
+ 2.0 2 f p -0.3869 0.3869
+ 3.1 12 f p= -0.1800 0.1800
+ 2.0 2 f s -0.2380 0.2380
+ 2.0 2 f s' -0.2011 0.2011
+ 2.0 2 f si -0.4789 0.4789
+ 2.0 2 f sp -0.2011 0.2011
+ 2.0 2 h h 0.0000 0.0000
+ 2.0 2 h i 0.1923 -0.1923
+ 2.0 2 h op 0.4943 -0.4943
+ 2.0 2 h p -0.0356 0.0356
+ 3.1 12 h p= -0.0500 0.0500
+ 2.0 2 h s 0.1392 -0.1392
+ 2.0 2 h s' 0.1932 -0.1932
+ 2.2 9 h si -0.1260 0.1260
+ 2.0 2 h si -0.1537 0.1537
+ 1.0 4 h sio -0.1300 0.1300
+ 2.0 2 h sp 0.1932 -0.1932
+ 1.0 1 h* n 0.4395 -0.4395
+ 2.0 2 h* n= 0.3278 -0.3278
+ 2.0 2 h* n=1 0.3278 -0.3278
+ 2.0 2 h* n=2 0.3278 -0.3278
+ 1.0 1 h* na 0.2487 -0.2487
+ 1.0 1 h* nh 0.3925 -0.3925
+ 1.0 1 h* nn 0.2487 -0.2487
+ 2.0 2 h* np 0.3278 -0.3278
+ 1.0 1 h* nr 0.4068 -0.4068
+ 2.0 2 h* nt 0.3278 -0.3278
+ 1.0 1 h* o 0.4241 -0.4241
+ 1.0 1 h* o* 0.3991 -0.3991
+ 1.0 4 h* osi 0.3400 -0.3400
+ 1.0 1 h+ n+ 0.2800 -0.0300
+ 3.0 10 hb ob 0.0839 -0.0839
+ 1.0 1 hi nh 0.3925 0.1075
+ 2.1 7 hn2 n_2 0.3780 -0.3780
+ 2.1 6 ho2 o_2 0.4230 -0.4230
+ 2.0 4 ho2 oz 0.4500 -0.4500
+ 3.0 10 hoa oah 0.0575 -0.0575
+ 3.0 10 hos osh 0.0641 -0.0641
+ 2.2 9 hsi si -0.1260 0.1260
+ 2.0 2 i i 0.0000 0.0000
+ 2.0 2 i n 0.1554 -0.1554
+ 2.0 2 i n+ 0.2615 -0.0115
+ 2.0 2 i n= 0.1554 -0.1554
+ 2.0 2 i n=1 0.1554 -0.1554
+ 2.0 2 i n=2 0.1554 -0.1554
+ 2.0 2 i na 0.0714 -0.0714
+ 2.0 2 i nh -0.0356 0.0358
+ 2.0 2 i nn 0.1554 -0.1554
+ 2.0 2 i np 0.1554 -0.1554
+ 2.0 2 i o 0.0924 -0.0924
+ 2.0 2 i op 0.3297 -0.3297
+ 2.0 2 i p -0.2110 0.2110
+ 2.0 2 i s -0.0345 0.0345
+ 2.0 2 i s' 0.0140 -0.0140
+ 2.0 2 i si -0.3263 0.3263
+ 2.0 2 i sp 0.0140 -0.0140
+ 2.0 2 n n 0.0000 0.0000
+ 2.0 2 n n+ 0.0883 0.1617
+ 2.0 2 n n= 0.0000 0.0000
+ 2.0 2 n n=1 0.0000 0.0000
+ 2.0 2 n n=2 0.0000 0.0000
+ 2.0 2 n na -0.0742 0.0742
+ 2.0 2 n nh -0.1637 0.1637
+ 2.0 2 n nn 0.0000 0.0000
+ 2.0 2 n np 0.0000 0.0000
+ 2.0 2 n o -0.0427 0.0427
+ 2.0 2 n o_1 0.1684 -0.1684
+ 2.0 2 n op 0.1684 -0.1684
+ 2.0 2 n p -0.3359 0.3359
+ 3.1 12 n p= -0.1200 0.1200
+ 2.0 2 n s -0.1753 0.1753
+ 2.0 2 n s' -0.1346 0.1346
+ 2.0 2 n si -0.4368 0.4368
+ 2.0 2 n sp -0.1346 0.1346
+ 2.0 2 n+ n+ 0.0000 0.0000
+ 2.0 2 n+ n= 0.1617 0.0883
+ 2.0 2 n+ n=1 0.1617 0.0883
+ 2.0 2 n+ n=2 0.1617 0.0883
+ 2.0 2 n+ na 0.0850 0.1650
+ 2.0 2 n+ nh -0.0044 0.2544
+ 2.0 2 n+ nn 0.1617 0.0883
+ 2.0 2 n+ np 0.1617 0.0883
+ 2.0 2 n+ o 0.1250 0.1250
+ 2.0 2 n+ o_1 0.3418 -0.0918
+ 2.0 2 n+ op 0.3418 -0.0918
+ 2.0 2 n+ p -0.1994 0.4494
+ 2.0 2 n+ s -0.0255 0.2755
+ 2.0 2 n+ s' 0.0159 0.2341
+ 2.0 2 n+ si -0.3083 0.5583
+ 2.0 2 n+ sp 0.0159 0.2341
+ 2.0 2 n= n= 0.0000 0.0000
+ 2.0 2 n= n=1 0.0000 0.0000
+ 2.0 2 n= n=2 0.0000 0.0000
+ 2.0 2 n= na -0.0742 0.0742
+ 2.0 2 n= nh -0.1637 0.1637
+ 2.0 2 n= nn 0.0000 0.0000
+ 2.0 2 n= np 0.0000 0.0000
+ 2.0 2 n= o -0.0427 0.0427
+ 2.0 2 n= o_1 0.1684 -0.1684
+ 2.0 2 n= op 0.1684 -0.1684
+ 2.0 2 n= p -0.3359 0.3359
+ 3.1 12 n= p= -0.3500 0.3500
+ 2.0 2 n= s -0.1753 0.1753
+ 2.0 2 n= s' -0.1346 0.1346
+ 2.0 2 n= si -0.4368 0.4368
+ 2.0 2 n= sp -0.1346 0.1346
+ 2.0 2 n=1 n=1 0.0000 0.0000
+ 2.0 2 n=1 n=2 0.0000 0.0000
+ 2.0 2 n=1 na -0.0742 0.0742
+ 2.0 2 n=1 nh -0.1637 0.1637
+ 2.0 2 n=1 nn 0.0000 0.0000
+ 2.0 2 n=1 np 0.0000 0.0000
+ 2.0 2 n=1 o -0.0427 0.0427
+ 2.0 2 n=1 o_1 0.1684 -0.1684
+ 2.0 2 n=1 op 0.1684 -0.1684
+ 2.0 2 n=1 p -0.3359 0.3359
+ 2.0 2 n=1 s -0.1753 0.1753
+ 2.0 2 n=1 s' -0.1346 0.1346
+ 2.0 2 n=1 si -0.4368 0.4368
+ 2.0 2 n=1 sp -0.1346 0.1346
+ 2.0 2 n=2 n=2 0.0000 0.0000
+ 2.0 2 n=2 na -0.0742 0.0742
+ 2.0 2 n=2 nh -0.1637 0.1637
+ 2.0 2 n=2 nn 0.0000 0.0000
+ 2.0 2 n=2 np 0.0000 0.0000
+ 2.0 2 n=2 o -0.0427 0.0427
+ 2.0 2 n=2 o= 0.1684 -0.1684
+ 2.0 2 n=2 o_1 0.1684 -0.1684
+ 2.0 2 n=2 op 0.1684 -0.1684
+ 2.0 2 n=2 p -0.3359 0.3359
+ 2.0 2 n=2 s -0.1753 0.1753
+ 2.0 2 n=2 s' -0.1346 0.1346
+ 2.0 2 n=2 si -0.4368 0.4368
+ 2.0 2 n=2 sp -0.1346 0.1346
+ 2.0 2 na na 0.0000 0.0000
+ 2.0 2 na nh -0.0919 0.0919
+ 2.0 2 na nn 0.0371 -0.0371
+ 2.0 2 na np 0.0742 -0.0742
+ 2.0 2 na o 0.0254 -0.0254
+ 2.0 2 na o_1 0.2369 -0.2369
+ 2.0 2 na op 0.2369 -0.2369
+ 2.0 2 na p -0.2518 0.2518
+ 2.0 2 na s -0.0966 0.0966
+ 2.0 2 na s' -0.0551 0.0551
+ 2.0 2 na si -0.3501 0.3501
+ 2.0 2 na sp -0.0551 0.0551
+ 2.0 2 nh nh 0.0000 0.0000
+ 2.0 2 nh nn 0.1637 -0.1637
+ 1.0 1 nh np -0.2823 0.2823
+ 2.0 2 nh o -0.1090 -0.1090
+ 2.0 2 nh o_1 0.3148 -0.3148
+ 2.0 2 nh op 0.3148 -0.3148
+ 2.0 2 nh p -0.1375 0.1375
+ 2.0 2 nh s 0.0046 -0.0046
+ 2.0 2 nh s' 0.0454 -0.0454
+ 2.0 2 nh si -0.2278 0.2278
+ 2.0 2 nh sp 0.0454 -0.0454
+ 2.0 2 nn nn 0.0000 0.0000
+ 2.0 2 nn np 0.0000 0.0000
+ 2.0 2 nn o -0.0427 0.0427
+ 2.0 2 nn o_1 0.1684 -0.1684
+ 2.0 2 nn op 0.1684 -0.1684
+ 2.0 2 nn p -0.3359 0.3359
+ 2.0 2 nn s -0.1753 0.1753
+ 2.0 2 nn s' -0.1346 0.1346
+ 2.0 2 nn si -0.4368 0.4368
+ 2.0 2 nn sp -0.1346 0.1346
+ 1.0 1 np np 0.0000 0.0000
+ 2.0 2 np o -0.0427 0.0427
+ 2.0 2 np o_1 0.1684 -0.1684
+ 2.0 2 np op 0.1684 -0.1684
+ 2.0 2 np p -0.3359 0.3359
+ 2.0 2 np s -0.1753 0.1753
+ 2.0 2 np s' -0.1346 0.1346
+ 2.0 2 np si -0.4368 0.4368
+ 2.0 2 np sp -0.1346 0.1346
+ 2.1 8 nt nt 0.0000 0.0000
+ 2.1 8 nz nz 0.0000 0.0000
+ 2.0 2 o o 0.0000 0.0000
+ 2.0 2 o op 0.1962 -0.1962
+ 2.0 2 o p -0.2548 0.2548
+ 3.1 12 o p= -0.1400 0.1400
+ 2.0 2 o s -0.1143 0.1143
+ 2.0 2 o s' -0.0766 0.0766
+ 2.0 2 o si -0.3425 0.3425
+ 2.0 2 o sp -0.0766 0.0766
+ 2.0 3 o- p -0.8500 0.3500
+ 2.1 8 o- s' -0.1143 0.1143
+ 2.1 8 o= o= 0.0000 0.0000
+ 2.1 8 o= s' -0.1143 0.1143
+ 2.0 2 o_1 o_1 0.0000 0.0000
+ 2.0 2 o_1 op 0.0000 0.0000
+ 2.0 2 o_1 p -0.4933 0.4933
+ 2.0 2 o_1 s -0.3386 0.3386
+ 2.0 2 o_1 s' -0.3024 0.3024
+ 2.0 2 o_1 si -0.5883 0.5883
+ 2.0 2 o_1 sp -0.3024 0.3024
+ 3.0 10 oas sz -0.1265 0.1265
+ 3.0 10 ob sz -0.1392 0.1392
+ 2.0 2 op op 0.0000 0.0000
+ 2.0 2 op p -0.4933 0.4933
+ 2.0 2 op s -0.3386 0.3386
+ 2.0 2 op s' -0.3024 0.3024
+ 2.0 2 op si -0.5883 0.5883
+ 2.0 2 op sp -0.3024 0.3024
+ 3.0 10 osh sz -0.1303 0.1303
+ 1.0 4 osi sio -0.2200 0.2200
+ 3.0 10 oss sz -0.1309 0.1309
+ 2.0 2 p p 0.0000 0.0000
+ 2.0 2 p s 0.1600 -0.1600
+ 2.0 2 p s' 0.2106 -0.2106
+ 2.0 2 p s- 0.1824 -0.6824
+ 2.0 2 p si -0.1069 0.1069
+ 2.0 2 p sp 0.2106 -0.2106
+ 2.0 2 s s 0.0000 0.0000
+ 2.0 2 s s' 0.0455 -0.0455
+ 2.0 2 s si -0.2634 0.2634
+ 2.0 2 s sp 0.0455 -0.0455
+ 2.0 2 s' s' 0.0000 0.0000
+ 2.0 2 s' si -0.3172 0.3172
+ 2.0 2 s' sp 0.0000 0.0000
+ 2.2 9 si si 0.0000 0.0000
+ 2.0 2 si si 0.0000 0.0000
+ 2.0 2 si sp 0.3172 -0.3172
+ 2.0 2 sp sp 0.0000 0.0000
+
+
+#quadratic_bond cff91_auto
+
+> E = K2 * (R - R0)^2
+
+!Ver Ref I J R0 K2
+!--- --- ----- ----- ------- --------
+ 2.0 2 br_ br_ 2.2900 175.6329
+ 2.0 2 br_ c'_ 1.8750 228.2808
+ 2.0 2 br_ c3m_ 1.9200 223.6000
+ 2.0 2 br_ c4m_ 1.9200 223.6000
+ 2.0 2 br_ c=_ 1.8800 253.7008
+ 2.0 3 br_ c=_1 1.8800 253.7008
+ 2.0 3 br_ c=_2 1.8800 253.7008
+ 2.0 3 br_ c=_3 1.8800 253.7008
+ 2.0 2 br_ c_ 1.9200 223.6000
+ 2.0 2 br_ cl_ 2.1320 209.1876
+ 2.0 2 br_ cp_ 1.9200 223.6000
+ 2.0 2 br_ ct_ 1.8250 268.8528
+ 2.0 2 br_ f_ 1.7950 193.5000
+ 2.0 2 br_ h_ 1.5080 314.1728
+ 2.0 2 br_ i_ 2.4660 165.6156
+ 2.0 2 br_ n+_ 1.8370 196.5940
+ 2.0 2 br_ n3m_ 1.8370 203.8340
+ 2.0 2 br_ n4m_ 1.8370 203.8340
+ 2.0 2 br_ n=_ 1.8100 259.1980
+ 2.0 3 br_ n=_1 1.8100 259.1980
+ 2.0 3 br_ n=_2 1.8100 259.1980
+ 2.0 3 br_ n=_3 1.8100 259.1980
+ 2.0 2 br_ n_ 1.8100 206.3980
+ 2.0 2 br_ na_ 1.8370 203.8340
+ 2.0 2 br_ np_ 1.8100 259.1980
+ 2.0 2 br_ o'_ 1.7550 233.2954
+ 2.0 2 br_ o_ 1.7980 284.7988
+ 2.0 2 br_ op_ 1.7550 260.8954
+ 2.0 2 br_ p_ 2.1800 183.1472
+ 2.0 2 br_ s'_ 2.1450 187.6017
+ 2.0 2 br_ s3e_ 2.1750 187.8836
+ 2.0 2 br_ s4e_ 2.1750 187.8836
+ 2.0 2 br_ s_ 2.1750 187.8836
+ 2.0 2 br_ si_ 2.2350 180.2320
+ 2.0 2 br_ sp_ 2.1450 172.8017
+ 2.0 2 c'_ c'_ 1.5000 266.4000
+ 2.0 2 c'_ c3m_ 1.5200 283.0924
+ 2.0 2 c'_ c4m_ 1.5200 283.0924
+ 2.0 2 c'_ c=_ 1.5000 322.8000
+ 2.0 3 c'_ c=_1 1.5000 322.8000
+ 2.0 3 c'_ c=_2 1.5000 322.8000
+ 2.0 3 c'_ c=_3 1.5000 322.8000
+ 2.0 2 c'_ c_ 1.5200 283.0924
+ 2.0 2 c'_ cl_ 1.7270 249.8588
+ 2.0 2 c'_ cp_ 1.5000 284.3316
+ 2.0 2 c'_ ct_ 1.4200 311.1492
+ 2.0 2 c'_ f_ 1.3900 217.7092
+ 2.0 2 c'_ h_ 1.1050 340.6175
+ 2.0 2 c'_ i_ 2.0610 208.6024
+ 2.0 2 c'_ n3m_ 1.4460 272.0000
+ 2.0 2 c'_ n4m_ 1.4000 332.0000
+ 2.0 2 c'_ n=_ 1.4050 296.2996
+ 2.0 3 c'_ n=_1 1.4050 296.2996
+ 2.0 3 c'_ n=_2 1.4050 296.2996
+ 2.0 3 c'_ n=_3 1.4050 296.2996
+ 2.0 2 c'_ n_ 1.3600 388.0000
+ 2.0 2 c'_ np_ 1.4050 296.2996
+ 2.0 2 c'_ o'_ 1.2200 615.3220
+ 2.0 2 c'_ o-_ 1.2500 572.8860
+ 2.0 2 c'_ o_ 1.3400 400.0000
+ 2.0 2 c'_ op_ 1.3500 294.1008
+ 2.0 2 c'_ p_ 1.7200 241.3820
+ 2.0 2 c'_ s'_ 1.6110 510.2775
+ 2.0 2 c'_ s-_ 1.6800 280.3060
+ 2.0 2 c'_ s3e_ 1.7700 175.0035
+ 2.0 2 c'_ s4e_ 1.7700 175.0035
+ 2.0 2 c'_ s_ 1.7700 175.0035
+ 2.0 2 c'_ si_ 1.8300 239.3552
+ 2.0 2 c'_ sp_ 1.7400 215.3532
+ 2.0 2 c3m_ c3m_ 1.5100 322.7158
+ 2.0 2 c3m_ c4m_ 1.5260 322.7158
+ 2.0 2 c3m_ c=_ 1.5000 322.8000
+ 2.0 3 c3m_ c=_1 1.5000 322.8000
+ 2.0 3 c3m_ c=_2 1.5000 322.8000
+ 2.0 3 c3m_ c=_3 1.5000 322.8000
+ 2.0 2 c3m_ c_ 1.5260 322.7158
+ 2.0 2 c3m_ cl_ 1.7610 314.0000
+ 2.0 2 c3m_ cp_ 1.5100 283.0924
+ 2.0 2 c3m_ ct_ 1.4000 340.0000
+ 2.0 2 c3m_ f_ 1.3630 496.0000
+ 2.0 2 c3m_ h_ 1.1050 340.6175
+ 2.0 2 c3m_ i_ 2.1200 200.0000
+ 2.0 2 c3m_ n+_ 1.4620 270.8836
+ 2.0 2 c3m_ n3m_ 1.4850 356.5988
+ 2.0 2 c3m_ n4m_ 1.4700 356.5988
+ 2.0 2 c3m_ n=_ 1.4750 336.8000
+ 2.0 3 c3m_ n=_1 1.4750 336.8000
+ 2.0 3 c3m_ n=_2 1.4750 336.8000
+ 2.0 3 c3m_ n=_3 1.4750 336.8000
+ 2.0 2 c3m_ n_ 1.4600 377.5752
+ 2.0 2 c3m_ na_ 1.4700 356.5988
+ 2.0 2 c3m_ np_ 1.4750 336.8000
+ 2.0 2 c3m_ o'_ 1.3800 318.9484
+ 2.0 2 c3m_ o3e_ 1.4340 273.2000
+ 2.0 2 c3m_ o4e_ 1.4250 273.2000
+ 2.0 2 c3m_ o_ 1.4250 273.2000
+ 2.0 2 c3m_ op_ 1.3800 346.5484
+ 2.0 2 c3m_ p_ 1.7500 249.1344
+ 2.0 2 c3m_ s'_ 1.7700 257.3324
+ 2.0 2 c3m_ s3e_ 1.8000 228.0000
+ 2.0 2 c3m_ s4e_ 1.8000 228.0000
+ 2.0 2 c3m_ s_ 1.8000 228.0000
+ 2.0 2 c3m_ si_ 1.8090 238.0000
+ 2.0 2 c3m_ sp_ 1.7700 242.5324
+ 2.0 2 c4m_ c4m_ 1.5520 322.7158
+ 2.0 2 c4m_ c=_ 1.5000 322.8000
+ 2.0 3 c4m_ c=_1 1.5000 322.8000
+ 2.0 3 c4m_ c=_2 1.5000 322.8000
+ 2.0 3 c4m_ c=_3 1.5000 322.8000
+ 2.0 2 c4m_ c_ 1.5260 322.7158
+ 2.0 2 c4m_ cl_ 1.7610 314.0000
+ 2.0 2 c4m_ cp_ 1.5100 283.0924
+ 2.0 2 c4m_ ct_ 1.4000 340.0000
+ 2.0 2 c4m_ f_ 1.3630 496.0000
+ 2.0 2 c4m_ h_ 1.1050 340.6175
+ 2.0 2 c4m_ i_ 2.1200 200.0000
+ 2.0 2 c4m_ n+_ 1.4620 270.8836
+ 2.0 2 c4m_ n3m_ 1.4700 356.5988
+ 2.0 2 c4m_ n4m_ 1.4670 356.5988
+ 2.0 2 c4m_ n=_ 1.4750 336.8000
+ 2.0 3 c4m_ n=_1 1.4750 336.8000
+ 2.0 3 c4m_ n=_2 1.4750 336.8000
+ 2.0 3 c4m_ n=_3 1.4750 336.8000
+ 2.0 2 c4m_ n_ 1.4600 377.5752
+ 2.0 2 c4m_ na_ 1.4700 356.5988
+ 2.0 2 c4m_ np_ 1.4750 336.8000
+ 2.0 2 c4m_ o'_ 1.3800 318.9484
+ 2.0 2 c4m_ o3e_ 1.4250 273.2000
+ 2.0 2 c4m_ o4e_ 1.4462 273.2000
+ 2.0 2 c4m_ o_ 1.4250 273.2000
+ 2.0 2 c4m_ op_ 1.3800 346.5484
+ 2.0 2 c4m_ p_ 1.7500 249.1344
+ 2.0 2 c4m_ s'_ 1.7700 257.3324
+ 2.0 2 c4m_ s3e_ 1.8000 228.0000
+ 2.0 2 c4m_ s4e_ 1.8470 228.0000
+ 2.0 2 c4m_ s_ 1.8000 228.0000
+ 2.0 2 c4m_ si_ 1.8090 238.0000
+ 2.0 2 c4m_ sp_ 1.7700 242.5324
+ 2.0 2 c=_ c=_ 1.3300 655.2000
+ 2.0 2 c=_ c_ 1.5000 322.8000
+ 2.0 2 c=_ cl_ 1.7320 278.5132
+ 2.0 2 c=_ cp_ 1.5000 322.8000
+ 2.0 2 c=_ ct_ 1.4250 337.6424
+ 2.0 2 c=_ f_ 1.3950 285.1320
+ 2.0 2 c=_ h_ 1.0900 361.6000
+ 2.0 2 c=_ i_ 2.0660 233.4432
+ 2.0 2 c=_ n3m_ 1.4370 273.7168
+ 2.0 2 c=_ n4m_ 1.4370 273.7168
+ 2.0 2 c=_ n=_ 1.2600 560.0000
+ 2.0 2 c=_ n_ 1.4100 279.0740
+ 2.0 2 c=_ na_ 1.4370 273.7168
+ 2.0 2 c=_ np_ 1.4100 331.8740
+ 2.0 2 c=_ o'_ 1.3550 312.9116
+ 2.0 2 c=_ o_ 1.3680 355.1988
+ 2.0 2 c=_ op_ 1.3550 340.5116
+ 2.0 2 c=_ p_ 1.7250 250.9988
+ 2.0 2 c=_ s'_ 1.7450 255.7880
+ 2.0 2 c=_ s3e_ 1.7750 254.9440
+ 2.0 2 c=_ s4e_ 1.7750 254.9440
+ 2.0 2 c=_ s_ 1.7750 254.9440
+ 2.0 2 c=_ si_ 1.8350 241.0424
+ 2.0 2 c=_ sp_ 1.7450 240.9880
+ 2.0 3 c=_1 c=_1 1.4800 320.0000
+ 2.0 3 c=_1 c=_2 1.4800 320.0000
+ 2.0 3 c=_1 c=_3 1.3300 655.2000
+ 2.0 3 c=_1 c_ 1.5000 322.8000
+ 2.0 3 c=_1 cl_ 1.7320 278.5132
+ 2.0 3 c=_1 cp_ 1.5000 322.8000
+ 2.0 3 c=_1 ct_ 1.4250 337.6424
+ 2.0 3 c=_1 f_ 1.3950 285.1320
+ 2.0 3 c=_1 h_ 1.0900 361.6000
+ 2.0 3 c=_1 i_ 2.0660 233.4432
+ 2.0 3 c=_1 n3m_ 1.4370 273.7168
+ 2.0 3 c=_1 n4m_ 1.4370 273.7168
+ 2.0 3 c=_1 n=_1 1.4100 331.8740
+ 2.0 3 c=_1 n=_2 1.4100 331.8740
+ 2.0 3 c=_1 n=_3 1.2600 560.0000
+ 2.0 3 c=_1 n_ 1.4100 279.0740
+ 2.0 3 c=_1 na_ 1.4370 273.7168
+ 2.0 3 c=_1 np_ 1.4100 331.8740
+ 2.0 3 c=_1 o'_ 1.3550 312.9116
+ 2.0 3 c=_1 o_ 1.3680 355.1988
+ 2.0 3 c=_1 op_ 1.3550 340.5116
+ 2.0 3 c=_1 p_ 1.7250 250.9988
+ 2.0 3 c=_1 s'_ 1.7450 255.7880
+ 2.0 3 c=_1 s3e_ 1.7750 254.9440
+ 2.0 3 c=_1 s4e_ 1.7750 254.9440
+ 2.0 3 c=_1 s_ 1.7750 254.9440
+ 2.0 3 c=_1 si_ 1.8350 241.0424
+ 2.0 3 c=_1 sp_ 1.7450 240.9880
+ 2.0 3 c=_2 c=_2 1.4100 480.0000
+ 2.0 3 c=_2 c=_3 1.4800 320.0000
+ 2.0 3 c=_2 c_ 1.5000 322.8000
+ 2.0 3 c=_2 cl_ 1.7320 278.5132
+ 2.0 3 c=_2 cp_ 1.5000 322.8000
+ 2.0 3 c=_2 ct_ 1.4250 337.6424
+ 2.0 3 c=_2 f_ 1.3950 285.1320
+ 2.0 3 c=_2 h_ 1.0900 361.6000
+ 2.0 3 c=_2 i_ 2.0660 233.4432
+ 2.0 3 c=_2 n3m_ 1.4370 273.7168
+ 2.0 3 c=_2 n4m_ 1.4370 273.7168
+ 2.0 3 c=_2 n=_1 1.4100 331.8740
+ 2.0 3 c=_2 n=_2 1.3430 493.5268
+ 2.0 3 c=_2 n=_3 1.4100 331.8740
+ 2.0 3 c=_2 n_ 1.4100 279.0740
+ 2.0 3 c=_2 na_ 1.4370 273.7168
+ 2.0 3 c=_2 np_ 1.4100 331.8740
+ 2.0 3 c=_2 o'_ 1.3550 312.9116
+ 2.0 3 c=_2 o_ 1.3680 355.1988
+ 2.0 3 c=_2 op_ 1.3550 340.5116
+ 2.0 3 c=_2 p_ 1.7250 250.9988
+ 2.0 3 c=_2 s'_ 1.7450 255.7880
+ 2.0 3 c=_2 s3e_ 1.7750 254.9440
+ 2.0 3 c=_2 s4e_ 1.7750 254.9440
+ 2.0 3 c=_2 s_ 1.7750 254.9440
+ 2.0 3 c=_2 si_ 1.8350 241.0424
+ 2.0 3 c=_2 sp_ 1.7450 240.9880
+ 2.0 3 c=_3 c=_3 1.3300 655.2000
+ 2.0 3 c=_3 c_ 1.5000 322.8000
+ 2.0 3 c=_3 cl_ 1.7320 278.5132
+ 2.0 3 c=_3 cp_ 1.5000 322.8000
+ 2.0 3 c=_3 ct_ 1.4250 337.6424
+ 2.0 3 c=_3 f_ 1.3950 285.1320
+ 2.0 3 c=_3 h_ 1.0900 361.6000
+ 2.0 3 c=_3 i_ 2.0660 233.4432
+ 2.0 3 c=_3 n3m_ 1.4370 273.7168
+ 2.0 3 c=_3 n4m_ 1.4370 273.7168
+ 2.0 3 c=_3 n=_1 1.2600 560.0000
+ 2.0 3 c=_3 n=_2 1.4100 331.8740
+ 2.0 3 c=_3 n=_3 1.2600 560.0000
+ 2.0 3 c=_3 n_ 1.4100 279.0740
+ 2.0 3 c=_3 na_ 1.4370 273.7168
+ 2.0 3 c=_3 np_ 1.4100 331.8740
+ 2.0 3 c=_3 o'_ 1.3550 312.9116
+ 2.0 3 c=_3 o_ 1.3680 355.1988
+ 2.0 3 c=_3 op_ 1.3550 340.5116
+ 2.0 3 c=_3 p_ 1.7250 250.9988
+ 2.0 3 c=_3 s'_ 1.7450 255.7880
+ 2.0 3 c=_3 s3e_ 1.7750 254.9440
+ 2.0 3 c=_3 s4e_ 1.7750 254.9440
+ 2.0 3 c=_3 s_ 1.7750 254.9440
+ 2.0 3 c=_3 si_ 1.8350 241.0424
+ 2.0 3 c=_3 sp_ 1.7450 240.9880
+ 2.0 2 c_ c_ 1.5260 322.7158
+ 2.0 2 c_ cl_ 1.7610 314.0000
+ 2.0 2 c_ cp_ 1.5100 283.0924
+ 2.0 2 c_ ct_ 1.4000 340.0000
+ 2.0 2 c_ f_ 1.3630 496.0000
+ 2.0 2 c_ h_ 1.1050 340.6175
+ 2.0 2 c_ i_ 2.1200 200.0000
+ 2.0 2 c_ n+_ 1.4620 270.8836
+ 2.0 2 c_ n3m_ 1.4700 356.5988
+ 2.0 2 c_ n4m_ 1.4700 356.5988
+ 2.0 2 c_ n=_ 1.4750 336.8000
+ 2.0 3 c_ n=_1 1.4750 336.8000
+ 2.0 3 c_ n=_2 1.4750 336.8000
+ 2.0 3 c_ n=_3 1.4750 336.8000
+ 2.0 2 c_ n_ 1.4600 377.5752
+ 2.0 2 c_ na_ 1.4700 356.5988
+ 2.0 2 c_ np_ 1.4750 336.8000
+ 2.0 2 c_ o'_ 1.3800 318.9484
+ 2.0 2 c_ o_ 1.4250 273.2000
+ 2.0 2 c_ op_ 1.3800 346.5484
+ 2.0 2 c_ p_ 1.7500 249.1344
+ 2.0 2 c_ s'_ 1.7700 257.3324
+ 2.0 2 c_ s_ 1.8000 228.0000
+ 2.0 2 c_ si_ 1.8090 238.0000
+ 2.0 2 c_ sp_ 1.7700 242.5324
+ 2.0 2 ci_ ci_ 1.3900 280.0000
+ 2.0 2 ci_ h_ 1.0800 363.4164
+ 2.0 2 ci_ ni_ 1.3800 320.0000
+ 2.0 2 cl_ cl_ 1.9880 236.5339
+ 2.0 2 cl_ cp_ 1.7610 314.0000
+ 2.0 2 cl_ ct_ 1.6770 292.1952
+ 2.0 2 cl_ f_ 1.6470 207.1180
+ 2.0 2 cl_ h_ 1.3600 345.9024
+ 2.0 2 cl_ i_ 2.3180 189.3396
+ 2.0 2 cl_ n+_ 1.6890 217.7248
+ 2.0 2 cl_ n3m_ 1.6890 226.4260
+ 2.0 2 cl_ n4m_ 1.6890 226.4260
+ 2.0 2 cl_ n=_ 1.6620 280.3604
+ 2.0 3 cl_ n=_1 1.6620 280.3604
+ 2.0 3 cl_ n=_2 1.6620 280.3604
+ 2.0 3 cl_ n=_3 1.6620 280.3604
+ 2.0 2 cl_ n_ 1.6620 227.5604
+ 2.0 2 cl_ na_ 1.6890 226.4260
+ 2.0 2 cl_ np_ 1.6620 280.3604
+ 2.0 2 cl_ o'_ 1.6070 251.7939
+ 2.0 2 cl_ o_ 1.6500 307.0632
+ 2.0 2 cl_ op_ 1.6070 279.3939
+ 2.0 2 cl_ p_ 2.0430 208.8228
+ 2.0 2 cl_ s'_ 1.9970 211.1368
+ 2.0 2 cl_ s3e_ 2.0270 212.0812
+ 2.0 2 cl_ s4e_ 2.0270 212.0812
+ 2.0 2 cl_ s_ 2.0270 212.0812
+ 2.0 2 cl_ si_ 2.0870 207.9748
+ 2.0 2 cl_ sp_ 1.9970 196.3368
+ 2.0 2 cp_ cp_ 1.3900 480.0000
+ 2.0 2 cp_ ct_ 1.4000 321.6716
+ 2.0 2 cp_ f_ 1.3630 496.0000
+ 2.0 2 cp_ h_ 1.0800 363.4164
+ 2.0 2 cp_ i_ 2.0410 217.4512
+ 2.0 2 cp_ n+_ 1.4120 251.3344
+ 2.0 2 cp_ n3m_ 1.4200 280.0000
+ 2.0 2 cp_ n4m_ 1.4200 280.0000
+ 2.0 2 cp_ n=_ 1.3850 316.0380
+ 2.0 3 cp_ n=_1 1.3850 316.0380
+ 2.0 3 cp_ n=_2 1.3850 316.0380
+ 2.0 3 cp_ n=_3 1.3850 316.0380
+ 2.0 2 cp_ n_ 1.4200 280.0000
+ 2.0 2 cp_ na_ 1.4120 257.7752
+ 2.0 2 cp_ np_ 1.3500 440.0000
+ 2.0 2 cp_ o'_ 1.3300 297.4852
+ 2.0 2 cp_ o_ 1.3700 384.0000
+ 2.0 2 cp_ op_ 1.3700 420.0000
+ 2.0 2 cp_ p_ 1.7000 235.0428
+ 2.0 2 cp_ s'_ 1.7200 239.8024
+ 2.0 2 cp_ s3e 1.7300 228.0000
+ 2.0 2 cp_ s4e 1.7300 228.0000
+ 2.0 2 cp_ s_ 1.7300 228.0000
+ 2.0 2 cp_ si_ 1.8100 225.1676
+ 2.0 2 cp_ sp_ 1.7106 320.0000
+ 2.0 2 cr_ n=_ 1.2600 560.0000
+ 2.0 3 cr_ n=_1 1.2600 560.0000
+ 2.0 3 cr_ n=_2 1.2600 560.0000
+ 2.0 3 cr_ n=_3 1.2600 560.0000
+ 2.0 2 cr_ n_ 1.3200 388.0000
+ 2.0 2 ct_ ct_ 1.2040 800.0000
+ 2.0 2 ct_ f_ 1.3400 278.3932
+ 2.0 2 ct_ h_ 1.0530 316.9016
+ 2.0 2 ct_ i_ 2.0110 248.9268
+ 2.0 2 ct_ n+_ 1.3820 278.3768
+ 2.0 2 ct_ n3m_ 1.3820 286.8096
+ 2.0 2 ct_ n4m_ 1.3820 286.8096
+ 2.0 2 ct_ n=_ 1.3550 342.2448
+ 2.0 3 ct_ n=_1 1.3550 342.2448
+ 2.0 3 ct_ n=_2 1.3550 342.2448
+ 2.0 3 ct_ n=_3 1.3550 342.2448
+ 2.0 2 ct_ n_ 1.3550 289.4448
+ 2.0 2 ct_ na_ 1.3820 286.8096
+ 2.0 2 ct_ nt_ 1.1580 880.0000
+ 2.0 2 ct_ o'_ 1.3000 318.8680
+ 2.0 2 ct_ o_ 1.3130 367.8164
+ 2.0 2 ct_ op_ 1.3000 346.4680
+ 2.0 2 ct_ p_ 1.6700 273.4668
+ 2.0 2 ct_ s'_ 1.6900 270.8344
+ 2.0 2 ct_ s3e_ 1.7200 271.4328
+ 2.0 2 ct_ s4e_ 1.7200 271.4328
+ 2.0 2 ct_ s_ 1.7200 271.4328
+ 2.0 2 ct_ si_ 1.7800 267.2964
+ 2.0 2 ct_ sp_ 1.6900 256.0344
+ 2.0 2 d_ d_ 0.7416 398.2392
+ 2.0 2 f_ f_ 1.4170 259.0683
+ 2.0 2 f_ h_ 1.0230 520.7304
+ 2.0 2 f_ i_ 1.9810 174.1664
+ 2.0 2 f_ n+_ 1.3520 178.0372
+ 2.0 2 f_ n3m_ 1.3520 200.9852
+ 2.0 2 f_ n4m_ 1.3520 200.9852
+ 2.0 2 f_ n=_ 1.3250 242.1856
+ 2.0 3 f_ n=_1 1.3250 242.1856
+ 2.0 3 f_ n=_2 1.3250 242.1856
+ 2.0 3 f_ n=_3 1.3250 242.1856
+ 2.0 2 f_ n_ 1.3250 189.3856
+ 2.0 2 f_ na_ 1.3520 200.9852
+ 2.0 2 f_ np_ 1.3250 242.1856
+ 2.0 2 f_ o'_ 1.2700 204.0505
+ 2.0 2 f_ o_ 1.4180 224.0000
+ 2.0 2 f_ op_ 1.2700 231.6505
+ 2.0 2 f_ p_ 1.5400 230.3664
+ 2.0 2 f_ s'_ 1.6600 195.3021
+ 2.0 2 f_ s3e_ 1.6900 204.8184
+ 2.0 2 f_ s4e_ 1.6900 204.8184
+ 2.0 2 f_ s_ 1.6900 204.8184
+ 2.0 2 f_ si_ 1.5870 297.3400
+ 2.0 2 f_ sp_ 1.6600 180.5021
+ 2.0 2 h_ h_ 0.7461 398.7301
+ 2.0 2 h_ i_ 1.6940 292.0432
+ 2.0 2 h_ n+_ 1.0650 461.1848
+ 2.0 2 h_ n3m_ 1.0260 457.4592
+ 2.0 2 h_ n4m_ 1.0260 457.4592
+ 2.0 2 h_ n=_ 1.0380 551.2061
+ 2.0 3 h_ n=_1 1.0380 551.2061
+ 2.0 3 h_ n=_2 1.0380 551.2061
+ 2.0 3 h_ n=_3 1.0380 551.2061
+ 2.0 2 h_ n_ 1.0260 483.4512
+ 2.0 2 h_ na_ 1.0260 457.4592
+ 2.0 2 h_ np_ 1.0260 483.4512
+ 2.0 2 h_ o'_ 0.9830 458.4610
+ 2.0 2 h_ o_ 0.9600 493.8480
+ 2.0 2 h_ op_ 0.9830 486.0610
+ 2.0 2 h_ p_ 1.4300 224.0000
+ 2.0 2 h_ s'_ 1.3730 316.8138
+ 2.0 2 h_ s3e_ 1.3300 274.1288
+ 2.0 2 h_ s4e_ 1.3300 274.1288
+ 2.0 2 h_ s_ 1.3300 274.1288
+ 2.0 2 h_ si_ 1.4630 288.3168
+ 2.0 2 h_ sp_ 1.3730 236.5449
+ 2.0 2 i_ i_ 2.6620 123.2110
+ 2.0 2 i_ n+_ 2.0230 177.2764
+ 2.0 2 i_ n3m_ 2.0230 184.0104
+ 2.0 2 i_ n4m_ 2.0230 184.0104
+ 2.0 2 i_ n=_ 1.9960 239.4972
+ 2.0 3 i_ n=_1 1.9960 239.4972
+ 2.0 3 i_ n=_2 1.9960 239.4972
+ 2.0 3 i_ n=_3 1.9960 239.4972
+ 2.0 2 i_ n_ 1.9960 186.6972
+ 2.0 2 i_ na_ 2.0230 184.0104
+ 2.0 2 i_ np_ 1.9960 239.4972
+ 2.0 2 i_ o'_ 1.9410 213.2317
+ 2.0 2 i_ o_ 1.9840 264.9868
+ 2.0 2 i_ op_ 1.9410 240.8317
+ 2.0 2 i_ p_ 2.3110 162.7080
+ 2.0 2 i_ s'_ 2.3310 167.6272
+ 2.0 2 i_ s3e_ 2.3610 167.7624
+ 2.0 2 i_ s4e_ 2.3610 167.7624
+ 2.0 2 i_ s_ 2.3610 167.7624
+ 2.0 2 i_ si_ 2.4210 158.9664
+ 2.0 2 i_ sp_ 2.3310 152.8272
+ 2.0 2 n+_ n+_ 1.3940 193.5604
+ 2.0 2 n+_ n3m_ 1.3940 211.1592
+ 2.0 2 n+_ n4m_ 1.3940 211.1592
+ 2.0 2 n+_ n=_ 1.3670 263.4360
+ 2.0 3 n+_ n=_1 1.3670 263.4360
+ 2.0 3 n+_ n=_2 1.3670 263.4360
+ 2.0 3 n+_ n=_3 1.3670 263.4360
+ 2.0 2 n+_ n_ 1.3670 210.6360
+ 2.0 2 n+_ na_ 1.3940 211.1592
+ 2.0 2 n+_ np_ 1.3670 263.4360
+ 2.0 2 n+_ o'_ 1.3120 234.1060
+ 2.0 2 n+_ o_ 1.3250 291.0020
+ 2.0 2 n+_ op_ 1.3120 261.7060
+ 2.0 2 n+_ p_ 1.6820 209.1536
+ 2.0 2 n+_ s'_ 1.7020 198.0952
+ 2.0 2 n+_ s_ 1.7320 200.1168
+ 2.0 2 n+_ si_ 1.7920 206.9412
+ 2.0 2 n+_ sp_ 1.7020 183.2952
+ 2.0 2 n3m_ n3m_ 1.3940 220.8000
+ 2.0 2 n3m_ n4m_ 1.3940 220.8000
+ 2.0 2 n3m_ n=_ 1.3670 274.4968
+ 2.0 3 n3m_ n=_1 1.3670 274.4968
+ 2.0 3 n3m_ n=_2 1.3670 274.4968
+ 2.0 3 n3m_ n=_3 1.3670 274.4968
+ 2.0 2 n3m_ n_ 1.3670 221.6968
+ 2.0 2 n3m_ na_ 1.3940 220.8000
+ 2.0 2 n3m_ np_ 1.3670 274.4968
+ 2.0 2 n3m_ o'_ 1.3120 246.5760
+ 2.0 2 n3m_ o_ 1.3250 301.3500
+ 2.0 2 n3m_ op_ 1.3120 274.1760
+ 2.0 2 n3m_ p_ 1.6820 210.5400
+ 2.0 2 n3m_ s'_ 1.7020 205.7752
+ 2.0 2 n3m_ s3e_ 1.7320 206.9404
+ 2.0 2 n3m_ s4e_ 1.7320 206.9404
+ 2.0 2 n3m_ s_ 1.7320 206.9404
+ 2.0 2 n3m_ si_ 1.7920 204.4236
+ 2.0 2 n3m_ sp_ 1.7020 190.9752
+ 2.0 2 n4m_ n4m_ 1.3940 220.8000
+ 2.0 2 n4m_ n=_ 1.3670 274.4968
+ 2.0 3 n4m_ n=_1 1.3670 274.4968
+ 2.0 3 n4m_ n=_2 1.3670 274.4968
+ 2.0 3 n4m_ n=_3 1.3670 274.4968
+ 2.0 2 n4m_ n_ 1.3670 221.6968
+ 2.0 2 n4m_ na_ 1.3940 220.8000
+ 2.0 2 n4m_ np_ 1.3670 274.4968
+ 2.0 2 n4m_ o'_ 1.3120 246.5760
+ 2.0 2 n4m_ o_ 1.3250 301.3500
+ 2.0 2 n4m_ op_ 1.3120 274.1760
+ 2.0 2 n4m_ p_ 1.6820 210.5400
+ 2.0 2 n4m_ s'_ 1.7020 205.7752
+ 2.0 2 n4m_ s3e_ 1.7320 206.9404
+ 2.0 2 n4m_ s4e_ 1.7320 206.9404
+ 2.0 2 n4m_ s_ 1.7320 206.9404
+ 2.0 2 n4m_ si_ 1.7920 204.4236
+ 2.0 2 n4m_ sp_ 1.7020 190.9752
+ 2.0 2 n=_ n=_ 1.2100 651.2000
+ 2.0 2 n=_ n_ 1.3400 272.8000
+ 2.0 2 n=_ na_ 1.3670 274.4968
+ 2.0 2 n=_ np_ 1.3400 325.6000
+ 2.0 2 n=_ o'_ 1.1600 575.8720
+ 2.0 2 n=_ o_ 1.2980 354.0632
+ 2.0 2 n=_ op_ 1.2850 319.9080
+ 2.0 2 n=_ p_ 1.6550 272.7524
+ 2.0 2 n=_ s'_ 1.5900 489.2400
+ 2.0 2 n=_ s3e_ 1.7050 263.4208
+ 2.0 2 n=_ s4e_ 1.7050 263.4208
+ 2.0 2 n=_ s_ 1.7050 263.4208
+ 2.0 2 n=_ si_ 1.7650 269.6064
+ 2.0 2 n=_ sp_ 1.6750 246.2844
+ 2.0 3 n=_1 n=_1 1.3400 325.6000
+ 2.0 3 n=_1 n=_2 1.3400 325.6000
+ 2.0 3 n=_1 n=_3 1.2100 651.2000
+ 2.0 3 n=_1 n_ 1.3400 272.8000
+ 2.0 3 n=_1 na_ 1.3670 274.4968
+ 2.0 3 n=_1 np_ 1.3400 325.6000
+ 2.0 3 n=_1 o'_ 1.2850 292.3080
+ 2.0 3 n=_1 o_ 1.2980 354.0632
+ 2.0 3 n=_1 op_ 1.2850 319.9080
+ 2.0 3 n=_1 p_ 1.6550 272.7524
+ 2.0 3 n=_1 s'_ 1.6750 261.0844
+ 2.0 3 n=_1 s3e_ 1.7050 263.4208
+ 2.0 3 n=_1 s4e_ 1.7050 263.4208
+ 2.0 3 n=_1 s_ 1.7050 263.4208
+ 2.0 3 n=_1 si_ 1.7650 269.6064
+ 2.0 3 n=_1 sp_ 1.6750 246.2844
+ 2.0 3 n=_2 n=_2 1.2760 488.0000
+ 2.0 2 n=_2 n=_3 1.3400 325.6000
+ 2.0 3 n=_2 n_ 1.3400 272.8000
+ 2.0 3 n=_2 na_ 1.3670 274.4968
+ 2.0 3 n=_2 np_ 1.3400 325.6000
+ 2.0 3 n=_2 o'_ 1.2225 434.0900
+ 2.0 3 n=_2 o_ 1.2980 354.0632
+ 2.0 3 n=_2 op_ 1.2850 319.9080
+ 2.0 3 n=_2 p_ 1.6550 272.7524
+ 2.0 3 n=_2 s'_ 1.6325 375.1624
+ 2.0 3 n=_2 s3e_ 1.7050 263.4208
+ 2.0 3 n=_2 s4e_ 1.7050 263.4208
+ 2.0 3 n=_2 s_ 1.7050 263.4208
+ 2.0 3 n=_2 si_ 1.7650 269.6064
+ 2.0 3 n=_2 sp_ 1.6750 246.2844
+ 2.0 3 n=_3 n=_3 1.2100 651.2000
+ 2.0 3 n=_3 n_ 1.3400 272.8000
+ 2.0 3 n=_3 na_ 1.3670 274.4968
+ 2.0 3 n=_3 np_ 1.3400 325.6000
+ 2.0 3 n=_3 o'_ 1.1600 575.8720
+ 2.0 3 n=_3 o_ 1.2980 354.0632
+ 2.0 3 n=_3 op_ 1.2850 319.9080
+ 2.0 3 n=_3 p_ 1.6550 272.7524
+ 2.0 3 n=_3 s'_ 1.5900 489.2400
+ 2.0 3 n=_3 s3e_ 1.7050 263.4208
+ 2.0 3 n=_3 s4e_ 1.7050 263.4208
+ 2.0 2 n=_3 s_ 1.7050 263.4208
+ 2.0 3 n=_3 si_ 1.7650 269.6064
+ 2.0 2 n=_3 sp_ 1.6750 246.2844
+ 2.0 2 n_ n_ 1.3400 220.0000
+ 2.0 2 n_ na_ 1.3670 221.6968
+ 2.0 2 n_ np_ 1.3400 272.8000
+ 2.0 2 n_ o'_ 1.2850 239.5080
+ 2.0 2 n_ o_ 1.2980 301.2632
+ 2.0 2 n_ op_ 1.2850 267.1080
+ 2.0 2 n_ p_ 1.6550 219.9524
+ 2.0 2 n_ s'_ 1.6750 208.2844
+ 2.0 2 n_ s3e_ 1.7050 210.6208
+ 2.0 2 n_ s4e_ 1.7050 210.6208
+ 2.0 2 n_ s_ 1.7050 210.6208
+ 2.0 2 n_ si_ 1.7650 216.8064
+ 2.0 2 n_ sp_ 1.6750 193.4844
+ 2.0 2 na_ na_ 1.3940 220.8000
+ 2.0 2 na_ np_ 1.3670 274.4968
+ 2.0 2 na_ o'_ 1.3120 246.5760
+ 2.0 2 na_ o_ 1.3250 301.3500
+ 2.0 2 na_ op_ 1.3120 274.1760
+ 2.0 2 na_ p_ 1.6820 210.5400
+ 2.0 2 na_ s'_ 1.7020 205.7752
+ 2.0 2 na_ s3e_ 1.7320 206.9404
+ 2.0 2 na_ s4e_ 1.7320 206.9404
+ 2.0 2 na_ s_ 1.7320 206.9404
+ 2.0 2 na_ si_ 1.7920 204.4236
+ 2.0 2 na_ sp_ 1.7020 190.9752
+ 2.0 2 np_ np_ 1.3400 408.0000
+ 2.0 2 np_ o'_ 1.2850 292.3080
+ 2.0 2 np_ o_ 1.2980 354.0632
+ 2.0 2 np_ op_ 1.2850 319.9080
+ 2.0 2 np_ p_ 1.6550 272.7524
+ 2.0 2 np_ s'_ 1.6750 261.0844
+ 2.0 2 np_ s3e_ 1.7050 263.4208
+ 2.0 2 np_ s4e_ 1.7050 263.4208
+ 2.0 2 np_ s_ 1.7050 263.4208
+ 2.0 2 np_ si_ 1.7650 269.6064
+ 2.0 2 np_ sp_ 1.6750 246.2844
+ 2.0 2 nt_ nt_ 1.0976 1632.4955
+ 2.0 2 nz_ nz_ 1.0976 1632.4955
+ 2.0 2 o'_ o'_ 1.1100 484.8000
+ 2.0 2 o'_ o_ 1.2430 323.1720
+ 2.0 2 o'_ op_ 1.2300 272.4000
+ 2.0 2 o'_ p_ 1.4800 524.0000
+ 2.0 2 o'_ s'_ 1.5400 421.5188
+ 2.0 2 o'_ s3e_ 1.6500 239.5744
+ 2.0 2 o'_ s4e_ 1.6500 239.5744
+ 2.0 2 o'_ s_ 1.5900 360.4188
+ 2.0 2 o'_ si_ 1.6500 454.7464
+ 2.0 2 o'_ sp_ 1.5600 341.2736
+ 2.0 2 o-_ p_ 1.4800 428.0000
+ 2.0 2 o_ o_ 1.2080 833.6868
+ 2.0 2 o_ op_ 1.2430 350.7720
+ 2.0 2 o_ p_ 1.6100 245.2000
+ 2.0 2 o_ s'_ 1.6330 286.7584
+ 2.0 2 o_ s3e_ 1.6930 288.0848
+ 2.0 2 o_ s4e_ 1.6930 288.0848
+ 2.0 2 o_ s_ 1.6930 288.0848
+ 2.0 2 o_ si_ 1.6650 392.8000
+ 2.0 2 o_ sp_ 1.6330 271.9584
+ 2.0 2 op_ op_ 1.2300 300.0000
+ 2.0 2 op_ p_ 1.6300 286.0904
+ 2.0 2 op_ s'_ 1.6200 262.9744
+ 2.0 2 op_ s3e_ 1.6800 266.7748
+ 2.0 2 op_ s4e_ 1.6800 266.7748
+ 2.0 2 op_ s_ 1.6800 266.7748
+ 2.0 2 op_ si 1.5870 292.2400
+ 2.0 2 op_ sp_ 1.6500 247.8440
+ 2.0 2 p_ p_ 1.9700 176.0000
+ 2.0 2 p_ s'_ 1.9700 255.2524
+ 2.0 2 p_ s-_ 1.9800 210.9800
+ 2.0 2 p_ s3e_ 2.0200 186.8792
+ 2.0 2 p_ s4e_ 2.0200 186.8792
+ 2.0 2 p_ s_ 2.0200 186.8792
+ 2.0 2 p_ si_ 1.9170 168.2072
+ 2.0 2 p_ sp_ 1.9900 175.1796
+ 2.0 2 s'_ s'_ 1.9700 320.0000
+ 2.0 2 s'_ s3e_ 2.0400 189.9260
+ 2.0 2 s'_ s4e_ 2.0400 189.9260
+ 2.0 2 s'_ s_ 2.0400 189.9260
+ 2.0 2 s'_ si_ 2.0800 247.5744
+ 2.0 2 s'_ sp_ 1.9900 240.0000
+ 2.0 2 s3e_ s3e_ 2.0000 180.0000
+ 2.0 2 s3e_ s4e_ 2.0000 180.0000
+ 2.0 2 s3e_ s_ 2.1000 160.0000
+ 2.0 2 s3e_ si_ 2.1300 177.2928
+ 2.0 2 s3e_ sp_ 2.0400 175.1260
+ 2.0 2 s4e_ s4e_ 2.0000 180.0000
+ 2.0 2 s4e_ s_ 2.1000 160.0000
+ 2.0 2 s4e_ si_ 2.1300 177.2928
+ 2.0 2 s4e_ sp_ 2.0400 175.1260
+ 2.0 2 s_ s_ 2.0547 180.0000
+ 2.0 2 s_ si_ 2.1300 177.2928
+ 2.0 2 s_ sp_ 2.0400 175.1260
+ 2.0 2 si_ si_ 2.1900 144.0000
+ 2.0 2 si_ sp_ 2.1000 167.4260
+ 2.0 2 sp_ sp_ 2.0100 160.0000
+
+
+#quartic_bond cff91
+
+> E = K2 * (R - R0)^2 + K3 * (R - R0)^3 + K4 * (R - R0)^4
+
+!Ver Ref I J R0 K2 K3 K4
+!--- --- ----- ----- ------- -------- -------- --------
+ 3.0 10 az oah 1.6987 330.3950 -600.3590 662.1600
+ 3.0 10 az oas 1.6614 378.8170 -590.1830 419.2000
+ 3.0 10 az ob 2.2643 131.8700 462.6760 650.2020
+ 2.1 8 br c 1.9390 151.1370 0.0000 0.0000
+ 2.1 8 c c 1.5300 299.6700 -501.7700 679.8100
+ 1.0 1 c c 1.5300 299.6700 -501.7700 679.8100
+ 1.0 1 c c- 1.5483 253.0800 -449.0300 457.3200
+ 1.0 1 c c= 1.5060 312.3517 -582.1861 339.8971
+ 1.0 1 c c=1 1.5060 312.3517 -582.1861 339.8971
+ 1.0 1 c c=2 1.5060 312.3517 -582.1861 339.8971
+ 2.1 8 c c_0 1.5140 312.3719 -465.8290 473.8300
+ 1.0 1 c c_1 1.5202 253.7067 -423.0370 396.9000
+ 2.1 8 c cl 1.7900 194.3190 0.0000 0.0000
+ 1.0 1 c cp 1.5010 321.9021 -521.8208 572.1628
+ 2.1 8 c f 1.3900 403.0320 0.0000 0.0000
+ 2.1 8 c h 1.1010 345.0000 -691.8900 844.6000
+ 1.0 1 c h 1.1010 341.0000 -691.8900 844.6000
+ 1.0 1 c n 1.4520 327.1657 -547.8990 526.5000
+ 1.0 1 c n+ 1.5185 293.1700 -603.7882 629.6900
+ 1.1 1 c n= 1.4750 336.0000 0.0000 0.0000
+ 1.1 1 c n=1 1.4750 336.0000 0.0000 0.0000
+ 1.1 1 c n=2 1.4750 336.0000 0.0000 0.0000
+ 2.1 7 c n_2 1.4632 319.1593 -586.3243 961.4143
+ 1.0 1 c na 1.4570 365.8052 -699.6368 998.4842
+ 1.0 1 c nr 1.4695 340.2400 -589.4800 854.5300
+ 1.0 1 c o 1.4200 400.3954 -835.1951 1313.0142
+ 2.2 7 c o_2 1.4300 326.7273 -608.5306 689.0333
+ 2.1 6 c o_2 1.4457 326.7273 -608.5306 689.0333
+ 2.0 5 c oz 1.4457 326.7273 -608.5306 689.0333
+ 1.0 1 c s 1.8230 225.2768 -327.7057 488.9722
+ 2.2 9 c si 1.8995 189.6536 -279.4210 307.5135
+ 1.0 4 c sio 1.9073 157.0049 -237.7023 356.0328
+ 1.0 1 c+ nr 1.3834 380.4600 -814.4300 1153.3000
+ 1.0 1 c- h 1.1331 241.0600 -574.7800 853.7500
+ 1.0 1 c- o- 1.2339 711.3500 -1543.9000 1858.6000
+ 1.0 1 c= c= 1.3521 545.2663 -1005.6330 1225.7415
+ 3.1 12 c= c=1 1.3400 543.9900 -1238.2025 1644.0282
+ 1.0 1 c= c=1 1.3521 545.2663 -1005.6330 1225.7415
+ 1.0 1 c= c=2 1.3521 545.2663 -1005.6330 1225.7415
+ 3.1 12 c= c_1 1.4600 270.1200 -433.2519 405.3601
+ 1.0 1 c= h 1.0883 365.7679 -725.5404 781.6621
+ 3.1 12 c= n_2 1.3600 380.8100 -725.2168 805.6459
+ 3.1 12 c=1 c=2 1.4400 304.9700 -519.7458 516.7039
+ 1.0 1 c=1 h 1.0883 365.7679 -725.5404 781.6621
+ 3.1 12 c=2 c=2 1.3400 543.9900 -1238.2025 1644.0282
+ 3.1 12 c=2 c_1 1.4600 270.1200 -433.2519 405.3601
+ 1.0 1 c=2 h 1.0883 365.7679 -725.5404 781.6621
+ 2.1 8 c=2 o= 1.1600 1112.0000 0.0000 0.0000
+ 2.1 8 c=2 s' 1.5526 567.3600 0.0000 0.0000
+ 2.1 8 c_0 cp 1.4890 339.3574 -655.7236 670.2362
+ 2.1 8 c_0 h 1.1220 304.8631 -623.3705 700.2828
+ 2.1 8 c_0 o_1 1.2160 823.7948 -1878.7940 2303.5311
+ 2.1 6 c_1 cp 1.4890 339.3574 -655.7236 670.2362
+ 1.0 1 c_1 h 1.1110 325.5717 -632.1990 726.0003
+ 1.0 1 c_1 n 1.4160 359.1591 -558.4730 1146.3810
+ 2.1 8 c_1 n_2 1.3660 390.6783 -768.3798 923.2418
+ 1.0 1 c_1 o 1.3649 368.7309 -832.4784 1274.0231
+ 2.1 6 c_1 o_1 1.2020 851.1403 -1918.4882 2160.7659
+ 1.0 1 c_1 o_1 1.2195 820.7018 -1875.1000 2303.7600
+ 2.1 6 c_1 o_2 1.3683 367.1481 -794.7908 1055.2319
+ 2.1 7 c_2 n_2 1.3580 440.6783 -828.3798 1423.2418
+ 2.1 7 c_2 o_1 1.2063 854.2903 -1922.3407 2101.6824
+ 2.1 7 c_2 o_2 1.3598 391.3310 -788.5655 1212.3812
+ 3.1 12 cl p= 2.0378 158.7770 -239.1290 210.0844
+ 2.1 8 cp cp 1.4170 470.8361 -627.6179 1327.6345
+ 2.0 5 cp cp 1.3823 476.2720 -869.7532 1281.3640
+ 1.0 1 cp cp 1.4314 356.0904 -627.6179 1327.6345
+ 2.1 8 cp h 1.0982 372.8251 -803.4526 894.3173
+ 2.0 5 cp h 1.0731 374.9058 -799.8437 899.9151
+ 2.1 7 cp n_2 1.4390 344.0452 -652.1208 1022.2242
+ 1.0 1 cp nh 1.3749 477.5202 -848.5592 1022.3909
+ 1.0 1 cp nn 1.3912 447.0438 -784.5346 886.1671
+ 1.0 1 cp np 1.3485 508.8587 -977.6914 1772.5134
+ 1.0 1 cp o 1.3768 428.8798 -738.2351 1114.9655
+ 2.1 6 cp o_2 1.4098 387.9119 -715.9186 660.2442
+ 1.0 1 cp op 1.3597 547.5169 -834.0665 544.3090
+ 2.0 5 cp oz 1.3828 387.9119 -715.9186 660.2442
+ 3.1 12 cp p= 1.7886 197.7015 -332.2507 325.7157
+ 2.2 9 cp si 1.8634 233.2433 -276.8692 161.6659
+ 1.0 1 cp sp 1.7053 364.2568 -457.7758 291.1498
+ 1.1 2 cr n= 1.2600 560.0000 0.0000 0.0000
+ 1.1 1 cr n=1 1.2600 560.0000 0.0000 0.0000
+ 1.1 1 cr n=2 1.2600 560.0000 0.0000 0.0000
+ 1.1 2 cr nr 1.3200 388.0000 0.0000 0.0000
+ 2.0 5 cz oo 1.1953 854.2903 -1922.3407 2301.6824
+ 2.0 5 cz oz 1.3398 391.3310 -788.5655 1212.3812
+ 1.0 4 f f 1.4200 330.3795 -647.0052 760.1593
+ 1.0 4 f h* 0.9170 695.3795 -1736.0052 2430.1593
+ 3.1 12 f p= 1.5632 379.1441 -882.3835 1197.9185
+ 2.1 8 h h 0.7414 414.0000 0.0000 0.0000
+ 3.1 12 h p= 1.3861 285.2043 -575.6851 677.8456
+ 1.0 1 h s 1.3261 275.1123 -531.3181 562.9630
+ 2.2 9 h si 1.4783 202.7798 -305.3603 280.2685
+ 1.0 4 h sio 1.4802 187.1010 -280.7306 258.8998
+ 1.0 1 h* n 1.0100 462.7500 -1053.6300 1545.7570
+ 3.1 12 h* n= 1.0025 540.1120 -1500.2952 2431.0081
+ 1.0 1 h* na 1.0060 466.7400 -1073.6018 1251.1056
+ 1.0 1 h* nh 1.0053 463.9230 -1050.8070 1284.7262
+ 1.0 1 h* nn 1.0012 465.8608 -1066.2360 1496.5647
+ 1.0 1 h* nr 1.0023 462.3900 -1044.6000 1468.7000
+ 1.0 1 h* o 0.9650 532.5062 -1282.9050 2004.7658
+ 1.2 3 h* o* 0.9700 563.2800 -1428.2200 1902.1200
+ 1.0 4 h* osi 0.9494 540.3633 -1311.8663 2132.4446
+ 1.0 1 h+ n+ 1.0119 448.6300 -963.1917 1248.4000
+ 3.0 10 hb ob 0.9513 665.5370 -1616.9700 2259.4700
+ 1.1 2 hi nh 1.0053 463.9230 -1050.8070 1284.7262
+ 2.1 7 hn2 n_2 0.9959 495.8294 -1092.7239 1441.1290
+ 2.1 6 ho2 o_2 0.9520 534.2994 -1287.1937 1889.1396
+ 2.0 5 ho2 oz 0.9520 534.2994 -1287.1937 1889.1396
+ 3.0 10 hoa oah 0.9421 719.2330 -1606.4200 2199.7200
+ 3.0 10 hos osh 0.9457 702.8730 -1531.8700 1814.8300
+ 3.1 12 n p= 1.6580 329.1660 -713.7949 902.9188
+ 3.1 12 n= p= 1.5880 429.1660 -751.4047 767.4308
+ 1.0 1 nh np 1.3204 646.7598 -1639.8800 6799.7099
+ 1.0 1 np np 1.3121 513.0111 -873.6366 1634.3437
+ 2.1 8 nz nz 1.0977 1652.4000 0.0000 0.0000
+ 3.1 12 o p= 1.6090 333.0981 -726.6232 924.6198
+ 2.1 8 o= o= 1.2074 847.4400 0.0000 0.0000
+ 2.1 8 o= s' 1.4308 743.7600 0.0000 0.0000
+ 3.0 10 oas sz 1.5923 392.6680 -1004.4800 3452.8601
+ 3.0 10 ob sz 1.6446 393.6690 -989.8420 1461.9800
+ 3.0 10 osh sz 1.6125 420.0240 -845.6110 1438.6300
+ 1.0 4 osi sio 1.6562 306.1232 -517.3424 673.7067
+ 3.0 10 oss sz 1.6155 325.4430 -943.3640 1454.6700
+ 1.0 1 s s 2.0559 197.6560 -196.1366 644.4103
+ 2.2 9 si si 2.3384 114.2164 -140.4212 80.7084
+
+
+#quadratic_angle cff91_auto
+
+> E = K2 * (Theta - Theta0)^2
+
+!Ver Ref I J K Theta0 K2
+!--- --- ----- ----- ----- -------- -------
+ 2.0 2 * c'_ * 120.0000 65.0000
+ 2.0 2 *1 c'_ si_ 120.0000 34.6000
+ 2.0 2 *2 c'_ h_ 110.0000 55.0000
+ 2.0 2 *3 c'_ f_ 120.0000 99.0000
+ 2.0 2 *4 c'_ s'_ 123.0000 80.0000
+ 2.0 2 *5 c'_ s3e_ 120.0000 40.0000
+ 2.0 2 *5 c'_ s4e_ 120.0000 40.0000
+ 2.0 2 *5 c'_ s_ 120.0000 40.0000
+ 2.0 2 *6 c'_ o'_ 120.0000 68.0000
+ 2.0 2 *7 c'_ o_ 110.0000 122.0000
+ 2.0 2 *8 c'_ n3m_ 120.0000 53.5000
+ 2.0 2 *8 c'_ n4m_ 120.0000 53.5000
+ 2.0 2 *8 c'_ n_ 120.0000 53.5000
+ 2.0 2 *9 c'_ c3m_ 120.0000 40.0000
+ 2.0 2 *9 c'_ c4m_ 120.0000 40.0000
+ 2.0 2 *9 c'_ c_ 120.0000 40.0000
+ 2.0 2 c_ c'_ c_ 115.0000 40.0000
+ 2.0 2 c_ c'_ n3m_ 114.0000 82.0000
+ 2.0 2 c_ c'_ n4m_ 114.0000 82.0000
+ 2.0 2 c_ c'_ n_ 114.0000 82.0000
+ 2.0 2 h_ c'_ h_ 117.0200 26.3900
+ 2.0 2 h_ c'_ o'_ 120.0000 55.0000
+ 2.0 2 n3m_ c'_ o'_ 125.0000 145.0000
+ 2.0 2 n4m_ c'_ o'_ 123.0000 145.0000
+ 2.0 2 n_ c'_ n_ 120.0000 102.0000
+ 2.0 2 n_ c'_ o'_ 123.0000 145.0000
+ 2.0 2 o'_ c'_ o_ 123.0000 145.0000
+ 2.0 2 * c3m_ * 109.5000 60.0000
+ 2.0 2 *1 c3m_ si_ 112.3000 34.6000
+ 2.0 2 *2 c3m_ h_ 109.5000 44.0000
+ 2.0 2 *3 c3m_ f_ 107.8000 95.0000
+ 2.0 2 *4 c3m_ s'_ 109.5000 62.0000
+ 2.0 2 *4 c3m_ s3e_ 109.5000 62.0000
+ 2.0 2 *4 c3m_ s4e_ 109.5000 62.0000
+ 2.0 2 *4 c3m_ s_ 109.5000 62.0000
+ 2.0 2 *5 c3m_ o'_ 109.5000 70.0000
+ 2.0 2 *5 c3m_ o3e_ 109.5000 70.0000
+ 2.0 2 *5 c3m_ o4e_ 109.5000 70.0000
+ 2.0 2 *5 c3m_ o_ 109.5000 70.0000
+ 2.0 2 *6 c3m_ n3m_ 109.5000 50.0000
+ 2.0 2 *6 c3m_ n4m_ 109.5000 50.0000
+ 2.0 2 *6 c3m_ n_ 109.5000 50.0000
+ 2.0 2 *7 c3m_ c3m_ 109.5000 46.0000
+ 2.0 2 *7 c3m_ c4m_ 109.5000 46.0000
+ 2.0 2 *7 c3m_ c_ 109.5000 46.0000
+ 2.0 2 c3m_ c3m_ c3m_ 60.0000 46.0000
+ 2.0 2 c3m_ c3m_ n3m_ 60.0000 50.0000
+ 2.0 2 c3m_ c3m_ n_ 112.0000 50.0000
+ 2.0 2 c3m_ c3m_ o3e_ 60.0000 70.0000
+ 2.0 2 c3m_ c3m_ s3e_ 60.0000 62.0000
+ 2.0 2 c4m_ c3m_ n_ 112.0000 50.0000
+ 2.0 2 c_ c3m_ n_ 112.0000 50.0000
+ 2.0 2 f_ c3m_ h_ 107.1000 62.0000
+ 2.0 2 n3m_ c3m_ n3m_ 60.0000 50.0000
+ 2.0 2 s3e_ c3m_ s3e_ 60.0000 62.0000
+ 2.0 2 * c4m_ * 109.5000 60.0000
+ 2.0 2 *1 c4m_ si_ 112.3000 34.6000
+ 2.0 2 *2 c4m_ h_ 109.5000 44.0000
+ 2.0 2 *3 c4m_ f_ 107.8000 95.0000
+ 2.0 2 *4 c4m_ s'_ 109.5000 62.0000
+ 2.0 2 *4 c4m_ s3e_ 109.5000 62.0000
+ 2.0 2 *4 c4m_ s4e_ 109.5000 62.0000
+ 2.0 2 *4 c4m_ s_ 109.5000 62.0000
+ 2.0 2 *5 c4m_ o'_ 109.5000 70.0000
+ 2.0 2 *5 c4m_ o3e_ 109.5000 70.0000
+ 2.0 2 *5 c4m_ o4e_ 109.5000 70.0000
+ 2.0 2 *5 c4m_ o_ 109.5000 70.0000
+ 2.0 2 *6 c4m_ n3m_ 109.5000 50.0000
+ 2.0 2 *6 c4m_ n4m_ 109.5000 50.0000
+ 2.0 2 *6 c4m_ n_ 109.5000 50.0000
+ 2.0 2 *7 c4m_ c3m_ 109.5000 46.0000
+ 2.0 2 *7 c4m_ c4m_ 109.5000 46.0000
+ 2.0 2 *7 c4m_ c_ 109.5000 46.0000
+ 2.0 2 c3m_ c4m_ n_ 112.0000 50.0000
+ 2.0 2 c4m_ c4m_ c4m_ 95.0000 46.0000
+ 2.0 2 c4m_ c4m_ n4m_ 88.3400 50.0000
+ 2.0 2 c4m_ c4m_ n_ 112.0000 50.0000
+ 2.0 2 c4m_ c4m_ o4e_ 91.8400 70.0000
+ 2.0 2 c4m_ c4m_ o_ 121.0000 46.0000
+ 2.0 2 c4m_ c4m_ s4e_ 94.5900 62.0000
+ 2.0 2 c_ c4m_ n_ 112.0000 50.0000
+ 2.0 2 f_ c4m_ h_ 107.1000 62.0000
+ 2.0 2 n4m_ c4m_ n4m_ 88.4000 50.0000
+ 2.0 2 n4m_ c4m_ o4m_ 90.0000 70.0000
+ 2.0 2 n4m_ c4m_ s4m_ 89.0000 62.0000
+ 2.0 2 o4e_ c4m_ o4e_ 90.0000 70.0000
+ 2.0 2 o4e_ c4m_ s4e_ 89.0000 70.0000
+ 2.0 2 s4e_ c4m_ s4e_ 91.0000 62.0000
+ 2.0 2 * c=_ * 120.0000 60.0000
+ 2.0 2 *1 c=_ si_ 120.0000 34.6000
+ 2.0 2 *2 c=_ h_ 120.0000 37.5000
+ 2.0 2 *3 c=_ f_ 120.0000 96.0000
+ 2.0 2 *4 c=_ s'_ 120.0000 40.0000
+ 2.0 2 *4 c=_ s3e_ 120.0000 40.0000
+ 2.0 2 *4 c=_ s4e_ 120.0000 40.0000
+ 2.0 2 *4 c=_ s_ 120.0000 40.0000
+ 2.0 2 *5 c=_ o'_ 120.0000 68.0000
+ 2.0 2 *5 c=_ o_ 120.0000 68.0000
+ 2.0 2 *6 c=_ n3m_ 120.0000 90.0000
+ 2.0 2 *6 c=_ n4m_ 120.0000 90.0000
+ 2.0 2 *6 c=_ n_ 120.0000 90.0000
+ 2.0 2 *7 c=_ c3m_ 120.0000 36.2000
+ 2.0 2 *7 c=_ c4m_ 120.0000 36.2000
+ 2.0 2 *7 c=_ c_ 120.0000 36.2000
+ 2.0 2 * c_ * 109.5000 60.0000
+ 2.0 2 *1 c_ si_ 112.3000 34.6000
+ 2.0 2 *2 c_ h_ 109.5000 44.0000
+ 2.0 2 *3 c_ f_ 107.8000 95.0000
+ 2.0 2 *4 c_ s'_ 109.5000 62.0000
+ 2.0 2 *4 c_ s3m_ 109.5000 62.0000
+ 2.0 2 *4 c_ s4m_ 109.5000 62.0000
+ 2.0 2 *4 c_ s_ 109.5000 62.0000
+ 2.0 2 *5 c_ o_ 109.5000 70.0000
+ 2.0 2 *6 c_ n3m_ 109.5000 50.0000
+ 2.0 2 *6 c_ n4m_ 109.5000 50.0000
+ 2.0 2 *6 c_ n_ 109.5000 50.0000
+ 2.0 2 *7 c_ c3m_ 109.5000 46.0000
+ 2.0 2 *7 c_ c4m_ 109.5000 46.0000
+ 2.0 2 *7 c_ c_ 109.5000 46.0000
+ 2.0 2 c3m_ c_ n_ 114.0000 50.0000
+ 2.0 2 c4m_ c_ n_ 114.0000 50.0000
+ 2.0 2 c_ c_ n3m_ 114.0000 50.0000
+ 2.0 2 c_ c_ n4m_ 114.0000 50.0000
+ 2.0 2 c_ c_ n_ 114.0000 50.0000
+ 2.0 2 c_ c_ o_ 110.5000 46.0000
+ 2.0 2 c_ c_ s_ 115.0000 46.0000
+ 2.0 2 f_ c_ h_ 107.1000 62.0000
+ 2.0 2 * cp_ * 120.0000 65.0000
+ 2.0 2 *1 cp_ si_ 120.0000 34.6000
+ 2.0 2 *2 cp_ h_ 120.0000 37.0000
+ 2.0 2 *3 cp_ f_ 120.0000 99.0000
+ 2.0 2 *4 cp_ s'_ 120.0000 60.0000
+ 2.0 2 *4 cp_ s3e_ 120.0000 89.0000
+ 2.0 2 *4 cp_ s4e_ 120.0000 89.0000
+ 2.0 2 *4 cp_ s_ 120.0000 89.0000
+ 2.0 2 *5 cp_ o'_ 120.0000 60.0000
+ 2.0 2 *5 cp_ o_ 120.0000 60.0000
+ 2.0 2 *6 cp_ n3m_ 120.0000 102.0000
+ 2.0 2 *6 cp_ n4m_ 120.0000 102.0000
+ 2.0 2 *6 cp_ n_ 120.0000 102.0000
+ 2.0 2 *7 cp_ c3m_ 120.0000 80.0000
+ 2.0 2 *7 cp_ c4m_ 120.0000 80.0000
+ 2.0 2 *7 cp_ c_ 120.0000 80.0000
+ 2.0 2 c_ cp_ s_ 114.0000 89.0000
+ 2.0 2 * ct_ * 180.0000 200.0000
+ 2.0 2 * n3m_ * 109.0000 80.0000
+ 2.0 2 *1 n3m_ si_ 109.0000 41.6000
+ 2.0 2 *2 n3m_ f_ 109.0000 80.0000
+ 2.0 2 *3 n3m_ h_ 110.0000 41.6000
+ 2.0 2 *4 n3m_ s'_ 114.0000 80.0000
+ 2.0 2 *5 n3m_ s3e_ 109.0000 80.0000
+ 2.0 2 *5 n3m_ s4e_ 109.0000 80.0000
+ 2.0 2 *5 n3m_ s_ 109.0000 80.0000
+ 2.0 2 *6 n3m_ o'_ 114.0000 80.0000
+ 2.0 2 *7 n3m_ o_ 109.0000 80.0000
+ 2.0 2 *8 n3m_ n3m_ 109.0000 80.0000
+ 2.0 2 *8 n3m_ n4m_ 109.0000 80.0000
+ 2.0 2 *8 n3m_ n_ 109.0000 80.0000
+ 2.0 2 *9 n3m_ c_ 114.0000 80.0000
+ 2.0 2 c3m_ n3m_ c3m_ 60.0000 80.0000
+ 2.0 2 c3m_ n3m_ c_ 113.0000 80.0000
+ 2.0 2 c3m_ n3m_ h_ 110.0000 41.6000
+ 2.0 2 * n4m_ * 109.0000 80.0000
+ 2.0 2 *1 n4m_ si_ 109.0000 41.6000
+ 2.0 2 *2 n4m_ f_ 109.0000 80.0000
+ 2.0 2 *3 n4m_ h_ 110.0000 41.6000
+ 2.0 2 *4 n4m_ s'_ 114.0000 80.0000
+ 2.0 2 *5 n4m_ s3e_ 109.0000 80.0000
+ 2.0 2 *5 n4m_ s4e_ 109.0000 80.0000
+ 2.0 2 *5 n4m_ s_ 109.0000 80.0000
+ 2.0 2 *6 n4m_ o'_ 114.0000 80.0000
+ 2.0 2 *7 n4m_ o_ 109.0000 80.0000
+ 2.0 2 *8 n4m_ n3m_ 109.0000 80.0000
+ 2.0 2 *8 n4m_ n4m_ 109.0000 80.0000
+ 2.0 2 *8 n4m_ n_ 109.0000 80.0000
+ 2.0 2 *9 n4m_ c_ 110.0000 80.0000
+ 2.0 2 c4m_ n4m_ c4m_ 91.3800 80.0000
+ 2.0 2 c4m_ n4m_ h_ 110.0000 41.6000
+ 2.0 2 * n_ * 120.0000 50.0000
+ 2.0 2 *1 n_ si_ 120.0000 35.0000
+ 2.0 2 *2 n_ f_ 120.0000 50.0000
+ 2.0 2 *3 n_ h_ 122.0000 35.0000
+ 2.0 2 *4 n_ s'_ 120.0000 70.0000
+ 2.0 2 *5 n_ s3e_ 120.0000 50.0000
+ 2.0 2 *5 n_ s4e_ 120.0000 50.0000
+ 2.0 2 *5 n_ s_ 120.0000 50.0000
+ 2.0 2 *6 n_ o'_ 120.0000 80.0000
+ 2.0 2 *7 n_ o_ 120.0000 50.0000
+ 2.0 2 *8 n_ n_ 120.0000 50.0000
+ 2.0 2 *9 n_ c3m_ 120.0000 50.0000
+ 2.0 2 *9 n_ c4m_ 120.0000 50.0000
+ 2.0 2 *9 n_ c_ 120.0000 50.0000
+ 2.0 2 * na_ * 109.0000 80.0000
+ 2.0 2 *1 na_ si_ 109.0000 41.6000
+ 2.0 2 *2 na_ f_ 109.0000 80.0000
+ 2.0 2 *3 na_ h_ 110.0000 41.6000
+ 2.0 2 *4 na_ s'_ 114.0000 80.0000
+ 2.0 2 *5 na_ s3e_ 109.0000 80.0000
+ 2.0 2 *5 na_ s4e_ 109.0000 80.0000
+ 2.0 2 *5 na_ s_ 109.0000 80.0000
+ 2.0 2 *6 na_ o'_ 114.0000 80.0000
+ 2.0 2 *7 na_ o_ 109.0000 80.0000
+ 2.0 2 *8 na_ n3m_ 109.0000 80.0000
+ 2.0 2 *8 na_ n4m_ 109.0000 80.0000
+ 2.0 2 *8 na_ n_ 109.0000 80.0000
+ 2.0 2 *9 na_ c3m_ 109.0000 80.0000
+ 2.0 2 *9 na_ c4m_ 109.0000 80.0000
+ 2.0 2 *9 na_ c_ 109.0000 80.0000
+ 2.0 2 * np_ * 120.0000 75.0000
+ 2.0 2 *1 np_ si_ 120.0000 27.5000
+ 2.0 2 *2 np_ f_ 120.0000 75.0000
+ 2.0 2 *3 np_ h_ 120.0000 27.5000
+ 2.0 2 *4 np_ s'_ 120.0000 75.0000
+ 2.0 2 *4 np_ s3e_ 120.0000 75.0000
+ 2.0 2 *4 np_ s4e_ 120.0000 75.0000
+ 2.0 2 *4 np_ s_ 120.0000 75.0000
+ 2.0 2 *5 np_ o'_ 120.0000 75.0000
+ 2.0 2 *5 np_ o_ 120.0000 75.0000
+ 2.0 2 *6 np_ n_ 120.0000 75.0000
+ 2.0 2 *7 np_ c3m_ 120.0000 75.0000
+ 2.0 2 *7 np_ c4m_ 120.0000 75.0000
+ 2.0 2 *7 np_ c_ 120.0000 75.0000
+ 2.0 2 * nt_ * 180.0000 50.0000
+ 2.0 2 h_ o*_ h_ 104.5000 50.0000
+ 2.0 2 c3m_ o3e_ c3m_ 58.9580 60.0000
+ 2.0 2 c4m_ o4e_ c4m_ 91.7370 60.0000
+ 2.0 2 * o_ * 109.5000 60.0000
+ 2.0 2 *1 o_ si_ 124.1000 56.4000
+ 2.0 2 *2 o_ h_ 109.0000 58.5000
+ 2.0 2 *3 o_ f_ 109.5000 60.0000
+ 2.0 2 *4 o_ s'_ 109.5000 60.0000
+ 2.0 2 *4 o_ s3e_ 109.5000 60.0000
+ 2.0 2 *4 o_ s4e_ 109.5000 60.0000
+ 2.0 2 *4 o_ s_ 109.5000 60.0000
+ 2.0 2 *5 o_ o'_ 109.5000 60.0000
+ 2.0 2 *5 o_ o_ 109.5000 60.0000
+ 2.0 2 *6 o_ n3m_ 120.0000 72.0000
+ 2.0 2 *6 o_ n4m_ 120.0010 72.0000
+ 2.0 2 *6 o_ n_ 120.0000 72.0000
+ 2.0 2 *7 o_ c3m_ 109.5000 60.0000
+ 2.0 2 *7 o_ c4m_ 109.5000 60.0000
+ 2.0 2 *7 o_ c_ 109.5000 60.0000
+ 2.0 2 si o_ si_ 149.8000 31.1000
+ 2.0 2 * op_ * 108.0000 75.0000
+ 2.0 2 *1 op_ si_ 106.0000 27.5000
+ 2.0 2 * p_ * 109.5000 45.0000
+ 2.0 2 *1 p_ si_ 109.5000 30.0000
+ 2.0 2 *2 p_ h_ 109.5000 45.0000
+ 2.0 2 *3 p_ f_ 109.5000 45.0000
+ 2.0 2 *4 p_ s'_ 120.0000 100.0000
+ 2.0 2 *5 p_ s_ 109.5000 45.0000
+ 2.0 2 *6 p_ o'_ 120.0000 110.0000
+ 2.0 2 *7 p_ o_ 109.5000 45.0000
+ 2.0 2 *8 p_ n_ 109.5000 45.0000
+ 2.0 2 *9 p_ c3m_ 109.5000 45.0000
+ 2.0 2 *9 p_ c4m_ 109.5000 45.0000
+ 2.0 2 *9 p_ c_ 109.5000 45.0000
+ 2.0 2 * s3e_ * 109.5000 75.0000
+ 2.0 2 *1 s3e_ si_ 109.5000 48.0000
+ 2.0 2 *2 s3e_ h_ 112.0000 31.8000
+ 2.0 2 *3 s3e_ f_ 109.5000 75.0000
+ 2.0 2 *4 s3e_ s'_ 109.5000 75.0000
+ 2.0 2 *4 s3e_ s3e_ 103.5000 75.0000
+ 2.0 2 *4 s3e_ s4e_ 103.5000 75.0000
+ 2.0 2 *4 s3e_ s_ 109.5000 75.0000
+ 2.0 2 *5 s3e_ o'_ 113.1000 42.3000
+ 2.0 2 *5 s3e_ o_ 113.1000 42.3000
+ 2.0 2 *6 s3e_ n3m_ 113.1000 42.3000
+ 2.0 2 *6 s3e_ n4m_ 113.1000 42.3000
+ 2.0 2 *6 s3e_ n_ 113.1000 42.3000
+ 2.0 2 *7 s3e_ c3m_ 99.0000 58.0000
+ 2.0 2 *7 s3e_ c4m_ 99.0000 58.0000
+ 2.0 2 *7 s3e_ c_ 99.0000 58.0000
+ 2.0 2 c3m_ s3e_ c3m_ 44.5000 58.0000
+ 2.0 2 * s4e_ * 109.5000 75.0000
+ 2.0 2 *1 s4e_ si_ 109.5000 48.0000
+ 2.0 2 *2 s4e_ h_ 112.0000 31.8000
+ 2.0 2 *3 s4e_ f_ 109.5000 75.0000
+ 2.0 2 *4 s4e_ s'_ 109.5000 75.0000
+ 2.0 2 *4 s4e_ s3e_ 103.5000 75.0000
+ 2.0 2 *4 s4e_ s4e_ 103.5000 75.0000
+ 2.0 2 *4 s4e_ s_ 109.5000 75.0000
+ 2.0 2 *5 s4e_ o'_ 113.1000 42.3000
+ 2.0 2 *5 s4e_ o_ 113.1000 42.3000
+ 2.0 2 *6 s4e_ n3m_ 113.1000 42.3000
+ 2.0 2 *6 s4e_ n4m_ 113.1000 42.3000
+ 2.0 2 *6 s4e_ n_ 113.1000 42.3000
+ 2.0 2 *7 s4e_ c3m_ 99.0000 58.0000
+ 2.0 2 *7 s4e_ c4m_ 99.0000 58.0000
+ 2.0 2 *7 s4e_ c_ 99.0000 58.0000
+ 2.0 2 c4m_ s4e_ c4m_ 85.9200 58.0000
+ 2.0 2 * s_ * 109.5000 50.0000
+ 2.0 2 *1 s_ si_ 109.5000 48.0000
+ 2.0 2 *2 s_ h_ 112.0000 31.8000
+ 2.0 2 *3 s_ f_ 109.5000 75.0000
+ 2.0 2 *4 s_ s'_ 109.5000 75.0000
+ 2.0 2 *4 s_ s3e_ 103.5000 75.0000
+ 2.0 2 *4 s_ s4e_ 103.5000 75.0000
+ 2.0 2 *4 s_ s_ 103.5000 75.0000
+ 2.0 2 *5 s_ o'_ 113.1000 42.3000
+ 2.0 2 *5 s_ o_ 113.1000 42.3000
+ 2.0 2 *6 s_ n3m_ 113.1000 42.3000
+ 2.0 2 *6 s_ n4m_ 113.1000 42.3000
+ 2.0 2 *6 s_ n_ 113.1000 42.3000
+ 2.0 2 *7 s_ c3m_ 99.0000 58.0000
+ 2.0 2 *7 s_ c4m_ 99.0000 58.0000
+ 2.0 2 *7 s_ c_ 102.0000 58.0000
+ 2.0 2 * si_ * 113.5000 44.4000
+ 2.0 2 *1 si_ si_ 113.4000 33.3000
+ 2.0 2 *2 si_ h_ 112.0000 31.8000
+ 2.0 2 *3 si_ f_ 117.3000 44.1000
+ 2.0 2 *4 si_ s_ 113.1000 42.3000
+ 2.0 2 *5 si_ o_ 113.1000 42.3000
+ 2.0 2 *6 si_ n_ 113.5000 44.4000
+ 2.0 2 *7 si_ c3m_ 113.5000 44.4000
+ 2.0 2 *7 si_ c4m_ 113.5000 44.4000
+ 2.0 2 *7 si_ c_ 113.5000 44.4000
+ 2.0 2 * sp_ * 92.5670 120.0000
+ 2.0 2 *1 sp_ si_ 96.0000 48.0000
+ 2.0 2 *2 sp_ h_ 96.0000 48.0000
+ 2.0 2 *3 sp_ f_ 92.5670 126.5060
+ 2.0 2 *4 sp_ s'_ 92.5670 126.5060
+ 2.0 2 *4 sp_ s_ 92.5670 126.5060
+ 2.0 2 *5 sp_ o'_ 92.5670 126.5060
+ 2.0 2 *5 sp_ o_ 92.5670 126.5060
+ 2.0 2 *6 sp_ n_ 92.5670 126.5060
+ 2.0 2 *7 sp_ c3m_ 92.5670 126.5060
+ 2.0 2 *7 sp_ c4m_ 92.5670 126.5060
+ 2.0 2 *7 sp_ c_ 92.5670 126.5060
+
+
+#quartic_angle cff91
+
+> Delta = Theta - Theta0
+> E = K2 * Delta^2 + K3 * Delta^3 + K4 * Delta^4
+
+!Ver Ref I J K Theta0 K2 K3 K4
+!--- --- ----- ----- ----- -------- -------- -------- --------
+ 3.0 10 oah az oah 119.5540 56.2161 67.5146 75.6704
+ 3.0 10 oah az oas 135.8500 1.5716 -23.2602 24.2341
+ 3.0 10 oah az ob 96.9383 41.2978 -101.1850 180.8230
+ 3.0 10 oas az oas 114.1500 112.9470 -37.6330 22.7467
+ 3.0 10 oas az ob 97.0360 73.0531 -31.9551 5.5982
+ 3.0 10 ob az ob 97.0360 73.0531 -31.9551 5.5982
+ 2.1 8 br c br 109.6985 71.9700 0.0000 0.0000
+ 2.1 8 br c c 109.1026 64.7730 0.0000 0.0000
+ 2.1 8 br c cl 111.6408 71.9700 0.0000 0.0000
+ 2.1 8 br c f 109.1026 71.9700 0.0000 0.0000
+ 2.1 8 br c h 106.9999 46.0608 0.0000 0.0000
+ 1.0 1 c c c 112.6700 39.5160 -7.4430 -9.5583
+ 1.0 1 c c c- 104.4900 31.3750 -4.4023 -6.5271
+ 1.0 1 c c c= 111.7600 45.7026 -10.6396 -9.9121
+ 1.0 1 c c c=1 111.7600 45.7026 -10.6396 -9.9121
+ 1.0 1 c c c=2 111.7600 45.7026 -10.6396 -9.9121
+ 1.0 1 c c c_0 108.4000 43.9594 -8.3924 -9.3379
+ 2.1 8 c c c_1 108.5295 51.9747 -9.4851 -10.9985
+ 2.1 8 c c cl 107.0000 61.1745 0.0000 0.0000
+ 1.3 1 c c cp 108.4000 43.9594 -8.3924 -9.3379
+ 2.1 8 c c f 109.2000 68.3715 0.0000 0.0000
+ 1.0 1 c c h 110.7700 41.4530 -10.6040 5.1290
+ 1.0 1 c c n 114.3018 42.6589 -10.5464 -9.3243
+ 1.0 1 c c n+ 112.1300 66.4520 4.8694 37.7860
+ 1.1 1 c c n= 117.2847 55.4431 0.0000 0.0000
+ 2.1 7 c c n_2 109.8300 76.8966 -48.7334 18.0162
+ 1.0 1 c c na 111.9100 60.7147 -13.3366 -13.0785
+ 1.0 1 c c nr 117.3500 55.0400 0.0000 0.0000
+ 1.0 1 c c o 111.2700 54.5381 -8.3642 -13.0838
+ 2.1 6 c c o_2 107.4100 63.3907 -13.4513 1.6650
+ 2.0 5 c c oz 105.4100 63.3907 -13.4513 0.0000
+ 1.0 1 c c s 112.5642 47.0276 -10.6790 -10.1687
+ 2.2 9 c c si 112.6700 39.5160 -7.4430 0.0000
+ 1.0 1 c- c h 109.6700 37.9190 -7.3877 -8.0694
+ 1.3 1 c- c n 100.5663 52.0966 -5.2642 -10.7045
+ 1.0 1 c= c c= 113.0100 44.2251 -10.2683 -9.5886
+ 1.0 1 c= c c=1 113.0100 44.2251 -10.2683 -9.5886
+ 1.0 1 c= c c=2 113.0100 44.2251 -10.2683 -9.5886
+ 1.0 1 c= c h 110.0600 41.2784 -14.2963 5.2229
+ 1.0 1 c=1 c c=1 113.0100 44.2251 -10.2683 -9.5886
+ 1.0 1 c=1 c c=2 113.0100 44.2251 -10.2683 -9.5886
+ 1.0 1 c=1 c h 110.0600 41.2784 -14.2963 5.2229
+ 1.0 1 c=2 c c=2 113.0100 44.2251 -10.2683 -9.5886
+ 1.0 1 c=2 c h 110.0600 41.2784 -14.2963 5.2229
+ 1.0 1 c_0 c cp 108.4000 43.9594 -8.3924 -9.3379
+ 1.0 1 c_0 c h 107.8594 38.0833 -17.5074 0.0000
+ 1.0 1 c_0 c o 106.1764 74.4143 -12.6018 -48.7850
+ 2.1 8 c_1 c h 107.7336 40.6099 -28.8121 0.0000
+ 1.0 1 c_1 c n 100.5663 52.0966 -5.2642 -10.7045
+ 1.3 1 c_1 c n+ 100.5663 52.0966 -5.2642 -10.7045
+ 2.1 8 cl c cl 111.6408 71.9700 0.0000 0.0000
+ 2.1 8 cl c f 109.1026 71.9700 0.0000 0.0000
+ 2.1 8 cl c h 107.9968 51.0987 0.0000 0.0000
+ 1.5 4 cp c cp 111.0000 44.3234 -9.4454 0.0000
+ 1.0 1 cp c h 111.0000 44.3234 -9.4454 0.0000
+ 2.1 8 f c f 109.1026 71.9700 0.0000 0.0000
+ 2.1 8 f c h 108.5010 57.5760 0.0000 0.0000
+ 1.0 1 h c h 107.6600 39.6410 -12.9210 -2.4318
+ 1.0 1 h c n 108.9372 57.4010 2.9374 0.0000
+ 1.0 1 h c n+ 105.8500 72.2630 -28.1923 0.0000
+ 1.1 1 h c n= 107.4989 62.7484 0.0000 0.0000
+ 1.1 1 h c n=1 107.4989 62.7484 0.0000 0.0000
+ 1.1 1 h c n=2 107.4989 62.7484 0.0000 0.0000
+ 2.1 7 h c n_2 108.5330 66.9202 -13.6480 10.3280
+ 1.0 1 h c na 110.6204 51.3137 -6.7198 -2.6003
+ 1.0 1 h c nr 107.5000 62.6790 0.0000 0.0000
+ 1.0 1 h c o 108.7280 58.5446 -10.8088 -12.4006
+ 2.1 6 h c o_2 107.6880 65.4801 -10.3498 5.8866
+ 2.0 5 h c oz 107.6880 70.4801 -10.3498 0.0000
+ 1.0 1 h c s 107.8522 51.4949 -13.5270 7.0260
+ 2.2 9 h c si 112.0355 28.7721 -13.9523 0.0000
+ 1.0 4 h c sio 111.5360 30.2481 -15.5255 0.0000
+ 1.0 1 s c s 111.5000 27.9677 0.0000 0.0000
+ 1.0 1 nr c+ nr 117.4500 83.9840 0.0000 0.0000
+ 1.0 1 c c- o- 115.0600 59.0960 -15.1430 -12.9820
+ 1.0 1 h c- o- 112.7500 61.1530 -14.0190 -13.2380
+ 1.0 1 o- c- o- 130.0100 111.2900 -52.3390 -28.1070
+ 1.0 1 c c= c 121.0100 29.2704 -10.1175 -6.7906
+ 1.0 1 c c= c= 126.2600 43.8250 -27.7266 1.0056
+ 1.0 1 c c= c=1 126.2600 43.8250 -27.7266 1.0056
+ 1.0 1 c c= c=2 126.2600 43.8250 -27.7266 1.0056
+ 1.0 1 c c= h 117.2700 30.0944 -8.0826 -8.6781
+ 3.1 12 c= c= c= 117.6000 56.4800 -16.2283 -12.6333
+ 3.1 12 c= c= c_1 121.1000 66.1100 -22.0206 -15.2133
+ 1.0 1 c= c= h 124.8800 35.2766 -17.7740 -1.6215
+ 3.1 12 c= c= n_2 121.0000 55.9100 -18.5471 -12.8549
+ 1.0 1 c=1 c= h 124.8800 35.2766 -17.7740 -1.6215
+ 1.0 1 c=2 c= h 124.8800 35.2766 -17.7740 -1.6215
+ 3.1 12 c_1 c= h 120.3000 35.7000 -11.5062 -8.1591
+ 1.0 1 h c= h 115.4900 29.6363 -12.4853 -6.2218
+ 3.1 12 h c= n_2 115.7000 38.2900 -10.1050 -8.4480
+ 2.1 8 o- c= o- 180.0000 200.0000 0.0000 0.0000
+ 2.1 8 s' c= s' 180.0000 70.0000 0.0000 0.0000
+ 1.0 1 c c=1 c 121.0100 29.2704 -10.1175 -6.7906
+ 1.0 1 c c=1 c= 126.2600 43.8250 -27.7266 1.0056
+ 1.0 1 c c=1 c=1 126.2600 43.8250 -27.7266 1.0056
+ 1.0 1 c c=1 c=2 126.2600 43.8250 -27.7266 1.0056
+ 1.0 1 c c=1 h 117.2700 30.0944 -8.0826 -8.6781
+ 1.0 1 c= c=1 h 124.8800 35.2766 -17.7740 -1.6215
+ 1.0 1 c=1 c=1 h 124.8800 35.2766 -17.7740 -1.6215
+ 1.0 1 c=2 c=1 h 124.8800 35.2766 -17.7740 -1.6215
+ 1.0 1 h c=1 h 115.4900 29.6363 -12.4853 -6.2218
+ 1.0 1 c c=2 c 121.0100 29.2704 -10.1175 -6.7906
+ 1.0 1 c c=2 c= 126.2600 43.8250 -27.7266 1.0056
+ 1.0 1 c c=2 c=1 126.2600 43.8250 -27.7266 1.0056
+ 1.0 1 c c=2 c=2 126.2600 43.8250 -27.7266 1.0056
+ 1.0 1 c c=2 h 117.2700 30.0944 -8.0826 -8.6781
+ 1.0 1 c= c=2 h 124.8800 35.2766 -17.7740 -1.6215
+ 1.0 1 c=1 c=2 h 124.8800 35.2766 -17.7740 -1.6215
+ 1.0 1 c=2 c=2 h 124.8800 35.2766 -17.7740 -1.6215
+ 1.0 1 h c=2 h 115.4900 29.6363 -12.4853 -6.2218
+ 1.0 1 c c_0 c 110.5884 34.6214 -7.0939 -7.4032
+ 1.0 1 c c_0 cp 110.5884 34.6214 -7.0939 -7.4032
+ 1.0 1 c c_0 h 106.2000 27.4878 -1.9350 14.5545
+ 1.0 1 c c_0 o_1 119.3000 65.1016 -17.9766 0.0000
+ 1.0 1 cp c_0 cp 110.5884 34.6214 -7.0939 -7.4032
+ 1.0 1 cp c_0 h 106.2000 27.4878 -1.9350 14.5545
+ 1.0 1 cp c_0 o_1 119.3000 65.1016 -17.9766 0.0000
+ 1.0 1 h c_0 h 108.6000 40.0764 -6.8139 -8.4349
+ 1.0 1 h c_0 o_1 116.5000 59.6420 -21.9179 0.0000
+ 2.1 8 c c_1 n_2 116.9257 39.4193 -10.9945 -8.7733
+ 2.1 8 c c_1 o_1 123.1451 55.5431 -17.2123 0.1348
+ 2.1 8 c c_1 o_2 100.3182 38.8631 -3.8323 -7.9802
+ 3.1 12 c= c_1 n_2 113.6000 41.1200 -9.8283 -8.9479
+ 3.1 12 c= c_1 o_1 125.9000 46.0600 -18.5463 -11.0998
+ 2.1 8 cp c_1 n_2 108.4400 84.8377 -19.9640 2.7405
+ 2.1 6 cp c_1 o_1 125.5320 72.3167 -16.0650 2.0818
+ 2.1 6 cp c_1 o_2 108.4400 84.8377 -19.9640 2.7405
+ 2.1 8 h c_1 n_2 110.3935 52.1647 -18.4845 0.0000
+ 2.1 8 h c_1 o_1 117.8326 45.9187 -22.5264 0.0000
+ 2.1 8 h c_1 o_2 110.5209 32.3751 -0.6174 -6.5639
+ 1.0 1 n c_1 n 122.5292 104.0857 -36.7315 -24.2616
+ 1.0 1 n c_1 o_1 125.5420 92.5720 -34.4800 -11.1871
+ 2.1 8 n_2 c_1 o_1 125.5320 101.8765 -41.8094 0.0000
+ 1.0 1 o c_1 o_1 118.9855 98.6813 -22.2485 10.3673
+ 2.1 6 o_1 c_1 o_2 120.7970 95.3446 -32.2869 6.3778
+ 2.1 7 n_2 c_2 n_2 114.5292 104.0857 -36.7315 24.2616
+ 2.1 7 n_2 c_2 o_1 125.5320 101.8765 -41.8094 7.7236
+ 2.1 7 n_2 c_2 o_2 108.4400 112.4403 -59.9730 38.3067
+ 2.1 7 o_1 c_2 o_2 120.7970 95.3446 -32.2869 6.3778
+ 2.1 7 o_2 c_2 o_2 109.4930 137.9111 -39.8755 59.0768
+ 1.0 1 c cp cp 120.0500 44.7148 -22.7352 0.0000
+ 1.3 1 c cp np 120.0500 44.7148 -22.7352 0.0000
+ 1.0 1 c_0 cp cp 108.4000 43.9594 -8.3924 -9.3379
+ 2.1 6 c_1 cp cp 116.0640 71.2598 -15.8273 2.0506
+ 1.0 1 cp cp cp 118.9000 61.0226 -34.9931 0.0000
+ 1.0 1 cp cp h 117.9400 35.1558 -12.4682 0.0000
+ 2.1 7 cp cp n_2 120.7640 73.2738 -27.4033 13.3920
+ 1.0 1 cp cp nh 112.5900 78.6418 -16.3888 0.0000
+ 1.0 1 cp cp nn 121.4584 61.0647 -21.6172 0.0000
+ 1.0 1 cp cp np 116.5100 76.6970 -35.3868 0.0000
+ 1.0 1 cp cp o 123.4200 73.6781 -21.6787 0.0000
+ 2.1 6 cp cp o_2 117.1400 33.0391 -14.7807 3.8573
+ 1.0 1 cp cp op 104.1700 101.3206 -17.3072 0.0000
+ 2.0 5 cp cp oz 120.1400 33.0391 -14.7807 0.0000
+ 3.1 12 cp cp p= 120.0007 47.8413 -15.2288 -10.9066
+ 2.2 9 cp cp si 120.0000 30.4689 -23.5439 0.0000
+ 1.0 1 cp cp sp 105.5300 96.2006 -44.9267 0.0000
+ 1.0 1 h cp nh 109.8000 43.8408 -9.5153 0.0000
+ 1.0 1 h cp np 110.5500 40.8275 -13.0318 0.0000
+ 1.0 1 h cp op 106.1700 48.0995 -9.0144 0.0000
+ 1.0 1 h cp sp 115.9800 36.7902 -13.1342 0.0000
+ 1.0 1 nh cp nh 105.0080 107.0693 -27.7154 0.0000
+ 1.0 1 nh cp np 108.9100 98.8519 -5.7502 0.0000
+ 1.0 1 nn cp np 118.5414 56.9522 -7.2655 0.0000
+ 1.0 1 np cp np 115.3800 85.4923 -6.5225 0.0000
+ 1.0 1 np cp op 104.0100 104.4800 0.0000 0.0000
+ 1.0 1 np cp sp 114.2300 92.3110 -35.5956 0.0000
+ 1.1 1 n= cr nr 125.5320 101.8765 -41.8094 0.0000
+ 1.1 1 n=1 cr nr 125.5320 101.8765 -41.8094 0.0000
+ 1.1 1 n=2 cr nr 125.5320 101.8765 -41.8094 0.0000
+ 1.1 1 nr cr nr 122.5292 104.0857 -36.7315 -24.2616
+ 2.0 5 oo cz oz 120.0510 97.3782 -26.5619 0.0000
+ 2.0 5 oz cz oz 109.4930 137.9111 -39.8755 59.0768
+ 1.0 1 c n c 111.5635 39.6084 -8.5459 -8.5152
+ 1.0 1 c n c_1 111.0372 31.8958 -6.6942 -6.8370
+ 1.0 1 c n h* 113.8683 45.9271 -20.0824 0.0000
+ 3.1 12 c n p= 120.0833 25.0010 -6.1167 -5.4570
+ 1.0 1 c_1 n c_1 121.9556 76.3105 -26.3166 -17.6944
+ 1.0 1 c_1 n h* 117.9607 37.4964 -8.1837 0.0000
+ 1.0 1 h* n h* 116.9402 37.5749 -8.6676 0.0000
+ 3.1 12 h* n p= 114.0833 25.0010 -6.1167 -5.4570
+ 1.0 1 c n+ c 109.7700 44.8220 -3.9132 0.0000
+ 1.0 1 c n+ h+ 110.5100 49.2170 -12.2153 -18.9667
+ 1.0 1 h+ n+ h+ 106.1100 45.3280 -14.0474 1.9350
+ 1.1 1 c n= cr 117.0900 31.6888 0.0000 0.0000
+ 3.1 12 h* n= p= 120.0000 26.0683 -8.2978 -5.9429
+ 3.1 12 p= n= p= 118.2000 36.0683 -7.6881 -5.8576
+ 2.1 8 c n_2 c_1 122.7520 60.4647 -29.6188 0.0000
+ 2.1 7 c n_2 c_2 122.7520 60.4647 -29.6188 5.3290
+ 2.1 7 c n_2 hn2 120.1350 29.2218 -14.1448 7.2380
+ 3.1 12 c= n_2 c_1 125.1000 67.5900 -26.3889 -16.1536
+ 3.1 12 c= n_2 hn2 120.1000 52.1200 -16.6595 -11.8919
+ 2.1 8 c_1 n_2 cp 116.6260 42.4711 -10.4269 0.0000
+ 2.1 8 c_1 n_2 hn2 122.9480 40.4820 -16.2028 0.0000
+ 2.1 7 c_2 n_2 cp 120.0700 47.1131 -32.5592 13.1257
+ 2.1 7 c_2 n_2 hn2 122.9480 40.4820 -16.2028 8.3280
+ 2.1 7 cp n_2 hn2 116.3230 18.3123 -7.8325 5.3290
+ 2.1 7 hn2 n_2 hn2 122.3730 27.6081 -10.3291 9.2800
+ 1.0 1 c na c 112.4436 47.2337 -10.6612 -10.2062
+ 1.0 1 c na h* 110.9538 50.8652 -4.4522 -10.0298
+ 1.0 1 h* na h* 107.0671 45.2520 -7.5558 -9.5120
+ 1.0 1 cp nh cp 106.0100 109.7746 -9.0636 0.0000
+ 1.0 1 cp nh h* 109.3800 47.0120 -17.3556 0.0000
+ 1.0 1 cp nh np 109.3900 119.1811 0.0000 0.0000
+ 1.0 1 h* nh np 99.4530 41.6499 -5.7422 0.0000
+ 1.0 1 cp nn h* 111.8725 40.8369 -15.6673 0.0000
+ 1.0 1 h* nn h* 107.5130 42.5182 -21.7566 -4.3372
+ 1.0 1 cp np cp 111.6800 84.5159 -48.5528 0.0000
+ 1.0 1 cp np nh 108.2200 119.0383 -24.2061 0.0000
+ 1.0 1 cp np np 106.0400 109.1158 -42.9319 0.0000
+ 1.0 1 c nr c+ 117.0900 31.4400 0.0000 0.0000
+ 1.0 1 c nr h* 117.2000 37.2620 0.0000 0.0000
+ 1.0 1 c+ nr h* 119.0700 45.8110 0.0000 0.0000
+ 1.1 1 cr nr h* 122.9480 40.4820 -16.2028 0.0000
+ 1.0 1 h* nr h* 110.9100 31.0910 0.0000 0.0000
+ 1.0 1 c o c 104.5000 35.7454 -10.0067 -6.2729
+ 1.0 1 c o c_1 102.9695 38.9739 -6.2595 -8.1710
+ 1.4 1 c o cp 102.9695 38.9739 -6.2595 -8.1710
+ 1.0 1 c o h* 105.8000 52.7061 -12.1090 -9.8681
+ 3.1 12 c o p= 118.2833 35.0010 -10.3597 -7.8699
+ 1.0 1 c_1 o h* 111.2537 53.5303 -11.8454 -11.5405
+ 1.0 1 cp o h* 108.1900 53.1250 -8.5016 0.0000
+ 3.1 12 h* o p= 112.2833 26.0310 -5.8280 -5.6195
+ 1.2 1 h* o* h* 103.7000 49.8400 -11.6000 -8.0000
+ 2.1 6 c o_2 c_1 113.2880 61.2868 -28.9786 7.9929
+ 2.1 7 c o_2 c_2 113.6200 57.9274 -17.1312 23.5480
+ 2.1 6 c_1 o_2 cp 113.0700 47.1131 -32.5592 13.1257
+ 2.1 6 c_1 o_2 ho2 112.8740 53.2512 -14.9979 2.4640
+ 2.1 7 c_2 o_2 cp 115.0700 47.1131 -32.5592 13.1257
+ 2.1 7 c_2 o_2 ho2 113.1580 49.6892 -25.9467 5.3280
+ 3.0 10 az oah hoa 129.6770 15.5877 -23.6906 9.7663
+ 3.0 10 az oas sz 167.7890 21.3772 -3.8146 8.1995
+ 3.0 10 az ob hb 106.4920 73.8986 -23.9590 8.0039
+ 3.0 10 az ob sz 139.4630 62.0713 -30.7987 16.6347
+ 3.0 10 hb ob sz 113.0480 26.6270 -29.5879 19.8910
+ 1.0 1 cp op cp 103.4300 112.4497 -25.7326 0.0000
+ 3.0 10 hos osh sz 123.4920 14.8634 -17.2643 57.7495
+ 1.0 4 h* osi sio 122.8880 23.7764 -19.8152 9.6331
+ 1.0 4 sio osi sio 157.0260 9.0740 -19.5576 8.5000
+ 3.0 10 sz oss sz 176.2650 18.8146 37.9749 42.8222
+ 2.0 5 c oz cz 113.6200 57.9274 -17.1312 60.0000
+ 2.0 5 cp oz cz 115.0700 47.1131 -32.5592 13.1257
+ 2.0 5 cz oz ho2 113.1580 49.6892 -25.9467 0.0000
+ 3.1 12 cl p= cl 100.6000 94.7390 -9.6046 -19.4682
+ 3.1 12 cl p= cp 109.9153 75.4619 -13.4603 -16.0981
+ 3.1 12 cl p= f 98.4500 104.3358 -8.2038 -21.3348
+ 3.1 12 cl p= h 100.0557 59.5624 -5.7203 -12.2224
+ 3.1 12 cl p= n 98.8500 90.2538 -7.6919 -18.4787
+ 3.1 12 cl p= n= 119.5000 83.6226 -26.0666 -18.9852
+ 3.1 12 cl p= o 98.0500 91.2538 -7.0872 -18.6603
+ 3.1 12 cp p= cp 119.2306 56.1847 -17.3159 -12.7280
+ 3.1 12 cp p= f 107.7653 85.0587 -12.0595 -17.9646
+ 3.1 12 cp p= h 108.2306 36.1847 -6.4878 -7.6463
+ 3.1 12 cp p= n 108.1653 70.9767 -11.5476 -15.1086
+ 3.1 12 cp p= n= 119.6000 63.0624 -19.7404 -14.3290
+ 3.1 12 cp p= o 107.3653 71.9767 -10.9429 -15.2901
+ 3.1 12 f p= f 96.3000 113.9327 -6.8030 -23.2013
+ 3.1 12 f p= h 99.9197 80.7297 -7.6457 -16.5604
+ 3.1 12 f p= n 96.7000 99.8506 -6.2912 -20.3452
+ 3.1 12 f p= n= 120.0245 99.8462 -31.8145 -22.7669
+ 3.1 12 f p= o 95.9000 100.8506 -5.6865 -20.5268
+ 3.1 12 h p= h 103.4084 39.6953 -5.1338 -8.2266
+ 3.1 12 h p= n 103.9784 68.2569 -9.2212 -14.1736
+ 3.1 12 h p= n= 119.0329 45.9784 -14.0522 -10.3994
+ 3.1 12 h p= o 103.9784 73.2569 -9.8966 -15.2119
+ 3.1 12 n p= n 97.1000 85.7686 -5.7793 -17.4892
+ 3.1 12 n p= n= 123.2153 89.9233 -32.6119 -21.0956
+ 3.1 12 n p= o 96.3000 86.7686 -5.1746 -17.6707
+ 3.1 12 n= p= n= 112.8000 90.5233 -20.8007 -19.6019
+ 3.1 12 n= p= o 120.2153 99.9233 -32.0927 -22.8209
+ 3.1 12 o p= o 95.5000 87.7686 -4.5699 -17.8523
+ 1.0 1 c s c 97.5000 57.6938 -5.0559 -11.8206
+ 1.0 1 c s h 96.8479 56.7336 14.2713 0.0000
+ 1.0 1 c s s 100.3000 57.2900 -6.5301 -11.8204
+ 1.0 1 h s h 94.3711 54.9676 0.0000 0.0000
+ 1.0 1 h s s 97.2876 54.4281 0.0000 0.0000
+ 2.1 8 o- s' o- 119.3290 135.0000 0.0000 0.0000
+ 2.2 9 c si c 113.1855 36.2069 -20.3939 20.0172
+ 2.2 9 c si h 112.0977 36.4832 -12.8094 0.0000
+ 2.2 9 c si si 113.0000 19.4692 -34.3471 0.0000
+ 2.2 9 cp si h 109.5932 41.9497 -42.3639 48.1442
+ 2.2 9 h si h 108.6051 32.5415 -8.3164 0.0000
+ 2.2 9 h si si 112.0893 22.5062 -11.5926 0.0000
+ 2.2 9 si si si 114.2676 24.9501 -19.5949 0.0000
+ 1.0 4 c sio c 114.9060 23.0218 -31.3993 24.9814
+ 1.0 4 c sio h 110.1810 38.5645 -17.8735 0.0000
+ 1.0 4 c sio osi 114.9060 23.0218 -31.3993 24.9814
+ 1.0 4 h sio h 106.0360 48.9872 -9.1607 0.0000
+ 1.0 4 h sio osi 107.3550 57.6643 -10.6506 4.6274
+ 1.0 4 osi sio osi 110.6930 70.3069 -6.9375 0.0000
+ 1.0 1 cp sp cp 88.2540 130.6992 -18.4789 0.0000
+ 3.0 10 oas sz oas 104.4940 83.7103 -97.1839 16.9574
+ 3.0 10 oas sz ob 104.4940 83.7103 -97.1839 16.9574
+ 3.0 10 oas sz osh 119.3400 28.1962 -64.3068 4.7117
+ 3.0 10 oas sz oss 108.3940 127.0520 -16.5736 0.0000
+ 3.0 10 ob sz ob 104.4940 83.7103 -97.1839 16.9574
+ 3.0 10 ob sz osh 107.3310 79.2578 -46.7537 108.6900
+ 3.0 10 ob sz oss 104.4940 83.7103 -97.1839 16.9574
+ 3.0 10 osh sz osh 115.0310 68.3381 49.4314 116.2400
+ 3.0 10 osh sz oss 110.6700 117.5060 -49.8921 0.0000
+ 3.0 10 oss sz oss 110.6120 154.1860 -68.6595 23.6292
+
+
+#torsion_1 cff91_auto
+
+> E = Kphi * [ 1 + cos(n*Phi - Phi0) ]
+
+!Ver Ref I J K L KPhi n Phi0
+!--- --- ----- ----- ----- ----- -------- --- ---------
+ 2.0 2 * c'_ c'_ * 0.4500 2 180.0000
+ 2.0 2 * c'_ c=_ * 0.4500 2 180.0000
+ 2.0 3 * c'_ c=_1 * 0.4500 2 180.0000
+ 2.0 3 * c'_ c=_2 * 0.4500 2 180.0000
+ 2.0 3 * c'_ c=_3 * 0.4500 2 180.0000
+ 2.0 2 * c'_ c_ * 0.0000 0 0.0000
+ 2.0 2 * c'_ cp_ * 2.5000 2 180.0000
+ 2.0 2 * c'_ ct_ * 0.0000 0 0.0000
+ 2.0 2 * c'_ n3n_ * 0.7000 2 180.0000
+ 2.0 2 * c'_ n=_ * 0.9000 2 180.0000
+ 2.0 3 * c'_ n=_1 * 0.9000 2 180.0000
+ 2.0 3 * c'_ n=_2 * 0.9000 2 180.0000
+ 2.0 3 * c'_ n=_3 * 0.9000 2 180.0000
+ 2.0 2 * c'_ n_ * 3.2000 2 180.0000
+ 2.0 2 * c'_ n_ h_ 1.2000 2 180.0000
+ 2.0 2 * c'_ np_ * 5.0000 2 180.0000
+ 2.0 2 * c'_ np_ h 1.0000 2 180.0000
+ 2.0 2 * c'_ o_ * 2.2500 2 180.0000
+ 2.0 2 * c'_ op_ * 2.2500 2 180.0000
+ 2.0 2 * c'_ s_ * 1.5000 2 180.0000
+ 2.0 2 * c'_ si_ * 0.0000 0 0.0000
+ 2.0 2 * c'_ sp_ * 1.5000 2 180.0000
+ 2.0 2 * c+_ n_ * 3.4000 2 180.0000
+ 2.0 2 * c=_ c=_ * 4.0750 2 180.0000
+ 2.0 2 * c=_ c_ * 0.2110 3 0.0000
+ 2.0 2 * c=_ cp_ * 0.5000 2 180.0000
+ 2.0 2 * c=_ ct_ * 0.0000 0 0.0000
+ 2.0 2 * c=_ n3n_ * 0.5000 2 180.0000
+ 2.0 2 * c=_ n=_ * 8.1500 2 180.0000
+ 2.0 2 * c=_ n_ * 1.2500 2 180.0000
+ 2.0 2 * c=_ na_ * 0.0000 0 0.0000
+ 2.0 2 * c=_ np_ * 1.5000 2 180.0000
+ 2.0 2 * c=_ np_ h_ 0.7500 2 180.0000
+ 2.0 2 * c=_ o_ * 0.9000 2 180.0000
+ 2.0 2 * c=_ op_ * 4.0000 2 180.0000
+ 2.0 2 * c=_ p_ * 1.2500 2 180.0000
+ 2.0 2 * c=_ s_ * 1.5000 2 180.0000
+ 2.0 2 * c=_ si_ * 0.2110 3 0.0000
+ 2.0 2 * c=_ sp_ * 6.0000 2 180.0000
+ 2.0 3 * c=_1 c=_1 * 0.6250 2 180.0000
+ 2.0 3 * c=_1 c=_2 * 0.6250 2 180.0000
+ 2.0 3 * c=_1 c=_3 * 4.0750 2 180.0000
+ 2.0 3 * c=_1 c_ * 0.2110 3 0.0000
+ 2.0 3 * c=_1 cp_ * 0.5000 2 180.0000
+ 2.0 3 * c=_1 ct_ * 0.0000 0 0.0000
+ 2.0 3 * c=_1 n3n_ * 0.7000 2 180.0000
+ 2.0 3 * c=_1 n=_1 * 0.6250 2 180.0000
+ 2.0 3 * c=_1 n=_2 * 0.6250 2 180.0000
+ 2.0 3 * c=_1 n=_3 * 8.1500 2 180.0000
+ 2.0 3 * c=_1 n_ * 1.2500 2 180.0000
+ 2.0 3 * c=_1 na_ * 0.0000 0 0.0000
+ 2.0 3 * c=_1 np_ * 1.5000 2 180.0000
+ 2.0 3 * c=_1 np_ h_ 0.7500 2 180.0000
+ 2.0 3 * c=_1 o_ * 0.9000 2 180.0000
+ 2.0 3 * c=_1 op_ * 4.0000 2 180.0000
+ 2.0 3 * c=_1 p_ * 1.2500 2 180.0000
+ 2.0 3 * c=_1 s_ * 1.5000 2 180.0000
+ 2.0 3 * c=_1 si_ * 0.2110 3 0.0000
+ 2.0 3 * c=_1 sp_ * 6.0000 2 180.0000
+ 2.0 3 * c=_2 c=_2 * 3.0000 2 180.0000
+ 2.0 3 * c=_2 c=_3 * 0.6250 2 180.0000
+ 2.0 3 * c=_2 c_ * 0.2110 3 0.0000
+ 2.0 3 * c=_2 cp_ * 0.5000 2 180.0000
+ 2.0 3 * c=_2 ct_ * 0.0000 0 0.0000
+ 2.0 3 * c=_2 n3n_ * 0.7000 2 180.0000
+ 2.0 3 * c=_2 n=_1 * 0.6250 2 180.0000
+ 2.0 3 * c=_2 n=_2 * 2.5000 2 180.0000
+ 2.0 3 * c=_2 n=_3 * 0.6250 2 180.0000
+ 2.0 3 * c=_2 n_ * 1.2500 2 180.0000
+ 2.0 3 * c=_2 na_ * 0.0000 0 0.0000
+ 2.0 3 * c=_2 np_ * 1.5000 2 180.0000
+ 2.0 3 * c=_2 np_ h_ 0.7500 2 180.0000
+ 2.0 3 * c=_2 o_ * 0.9000 2 180.0000
+ 2.0 3 * c=_2 op_ * 4.0000 2 180.0000
+ 2.0 3 * c=_2 p_ * 1.2500 2 180.0000
+ 2.0 3 * c=_2 s_ * 1.5000 2 180.0000
+ 2.0 3 * c=_2 si_ * 0.2110 3 0.0000
+ 2.0 3 * c=_2 sp_ * 6.0000 2 180.0000
+ 2.0 3 * c=_3 c=_3 * 4.0750 2 180.0000
+ 2.0 3 * c=_3 c_ * 0.2110 3 0.0000
+ 2.0 3 * c=_3 cp_ * 0.5000 2 180.0000
+ 2.0 3 * c=_3 ct_ * 0.0000 0 0.0000
+ 2.0 3 * c=_3 n3n_ * 0.7000 2 180.0000
+ 2.0 3 * c=_3 n=_1 * 8.1500 2 180.0000
+ 2.0 3 * c=_3 n=_2 * 0.6250 2 180.0000
+ 2.0 3 * c=_3 n=_3 * 8.1500 2 180.0000
+ 2.0 3 * c=_3 n_ * 1.2500 2 180.0000
+ 2.0 3 * c=_3 na_ * 0.0000 0 0.0000
+ 2.0 3 * c=_3 np_ * 1.5000 2 180.0000
+ 2.0 3 * c=_3 np_ h_ 0.7500 2 180.0000
+ 2.0 3 * c=_3 o_ * 0.9000 2 180.0000
+ 2.0 3 * c=_3 op_ * 4.0000 2 180.0000
+ 2.0 3 * c=_3 p_ * 1.2500 2 180.0000
+ 2.0 3 * c=_3 s_ * 1.5000 2 180.0000
+ 2.0 3 * c=_3 si_ * 0.2110 3 0.0000
+ 2.0 3 * c=_3 sp_ * 6.0000 2 180.0000
+ 2.0 2 * c_ c_ * 0.1580 3 0.0000
+ 2.0 2 * c_ cp_ * 0.0000 0 0.0000
+ 2.0 2 * c_ ct_ * 0.0000 0 0.0000
+ 2.0 2 * c_ n3n_ * 0.0500 3 0.0000
+ 2.0 2 * c_ n=_ * 0.0000 0 0.0000
+ 2.0 3 * c_ n=_1 * 0.0000 0 0.0000
+ 2.0 3 * c_ n=_2 * 0.0000 0 0.0000
+ 2.0 3 * c_ n=_3 * 0.0000 0 0.0000
+ 2.0 2 * c_ n_ * 0.0000 0 0.0000
+ 2.0 2 * c_ na_ * 0.0500 3 0.0000
+ 2.0 2 * c_ np_ * 0.0000 0 0.0000
+ 2.0 2 * c_ o_ * 0.1300 3 0.0000
+ 2.0 2 * c_ p_ * 0.0000 0 0.0000
+ 2.0 2 * c_ s_ * 0.1367 3 0.0000
+ 2.0 2 * c_ si_ * 0.1111 3 0.0000
+ 2.0 2 * cp_ cp_ * 3.0000 2 180.0000
+ 2.0 2 * cp_ ct_ * 0.0000 0 0.0000
+ 2.0 2 * cp_ n3n_ * 0.5000 2 180.0000
+ 2.0 2 * cp_ n=_ * 1.2500 2 180.0000
+ 2.0 3 * cp_ n=_1 * 1.2500 2 180.0000
+ 2.0 3 * cp_ n=_2 * 1.2500 2 180.0000
+ 2.0 3 * cp_ n=_3 * 1.2500 2 180.0000
+ 2.0 2 * cp_ n_ * 2.2500 2 180.0000
+ 2.0 2 * cp_ na_ * 2.2500 2 180.0000
+ 2.0 2 * cp_ np_ * 2.0000 2 180.0000
+ 2.0 2 * cp_ np_ h_ 1.0000 2 180.0000
+ 2.0 2 * cp_ o_ * 1.8000 2 180.0000
+ 2.0 2 * cp_ o_ h_ 0.7500 2 180.0000
+ 2.0 2 * cp_ op_ * 6.0000 2 180.0000
+ 2.0 2 * cp_ p_ * 0.2500 3 0.0000
+ 2.0 2 * cp_ s_ * 1.5000 2 180.0000
+ 2.0 2 * cp_ si_ * 0.1667 3 0.0000
+ 2.0 2 * cp_ sp_ * 6.0000 2 180.0000
+ 2.0 2 * ct_ ct_ * 0.0000 0 0.0000
+ 2.0 2 * ct_ n3n_ * 0.0000 0 0.0000
+ 2.0 2 * ct_ n_ * 0.0000 0 0.0000
+ 2.0 2 * ct_ na_ * 0.0000 0 0.0000
+ 2.0 2 * ct_ np_ * 0.0000 0 0.0000
+ 2.0 2 * ct_ o_ * 0.0000 0 0.0000
+ 2.0 2 * ct_ s_ * 0.0000 0 0.0000
+ 2.0 2 * ct_ si_ * 0.0000 0 0.0000
+ 2.0 2 * n3n_ n3n_ * 0.0500 2 180.0000
+ 2.0 2 * n3n_ n=_ * 0.0500 2 180.0000
+ 2.0 3 * n3n_ n=_1 * 0.0500 2 180.0000
+ 2.0 3 * n3n_ n=_2 * 0.0500 2 180.0000
+ 2.0 3 * n3n_ n=_3 * 0.0500 2 180.0000
+ 2.0 2 * n3n_ n_ * 0.0500 2 180.0000
+ 2.0 2 * n3n_ na_ * 0.0000 0 0.0000
+ 2.0 2 * n3n_ np_ * 0.0500 2 180.0000
+ 2.0 2 * n3n_ o_ * 0.3000 3 0.0000
+ 2.0 2 * n3n_ s_ * 0.3000 2 0.0000
+ 2.0 2 * n3n_ si_ * 0.0500 3 0.0000
+ 2.0 2 * n=_ n=_ * 15.0000 2 180.0000
+ 2.0 2 * n=_ n_ * 0.7500 2 180.0000
+ 2.0 2 * n=_ na_ * 0.0000 0 0.0000
+ 2.0 2 * n=_ np_ * 1.5000 2 180.0000
+ 2.0 2 * n=_ np_ h_ 0.7500 2 180.0000
+ 2.0 2 * n=_ o_ * 0.7000 2 180.0000
+ 2.0 2 * n=_ s_ * 0.7000 2 180.0000
+ 2.0 2 * n=_ si_ * 0.2333 2 180.0000
+ 2.0 3 * n=_1 n=_1 * 1.5000 2 180.0000
+ 2.0 3 * n=_1 n=_2 * 1.5000 2 180.0000
+ 2.0 3 * n=_1 n=_3 * 15.0000 2 180.0000
+ 2.0 3 * n=_1 n_ * 0.7500 2 180.0000
+ 2.0 3 * n=_1 na_ * 0.0000 0 0.0000
+ 2.0 3 * n=_1 np_ * 1.5000 2 180.0000
+ 2.0 3 * n=_1 np_ h_ 0.7500 2 180.0000
+ 2.0 3 * n=_1 o_ * 0.7000 2 180.0000
+ 2.0 3 * n=_1 s_ * 0.7000 2 180.0000
+ 2.0 3 * n=_1 si_ * 0.2333 2 180.0000
+ 2.0 3 * n=_2 n=_2 * 7.5000 2 180.0000
+ 2.0 3 * n=_2 n=_3 * 1.5000 2 180.0000
+ 2.0 3 * n=_2 n_ * 0.7500 2 180.0000
+ 2.0 3 * n=_2 na_ * 0.0000 0 0.0000
+ 2.0 3 * n=_2 np_ * 1.5000 2 180.0000
+ 2.0 3 * n=_2 np_ h_ 0.7500 2 180.0000
+ 2.0 3 * n=_2 o_ * 0.7000 2 180.0000
+ 2.0 3 * n=_2 s_ * 0.7000 2 180.0000
+ 2.0 3 * n=_2 si_ * 0.2333 2 180.0000
+ 2.0 3 * n=_3 n=_3 * 15.0000 2 180.0000
+ 2.0 3 * n=_3 n_ * 0.7500 2 180.0000
+ 2.0 3 * n=_3 na_ * 0.0000 0 0.0000
+ 2.0 3 * n=_3 np_ * 1.5000 2 180.0000
+ 2.0 3 * n=_3 np_ h_ 0.7500 2 180.0000
+ 2.0 3 * n=_3 o_ * 0.7000 2 180.0000
+ 2.0 3 * n=_3 s_ * 0.7000 2 180.0000
+ 2.0 3 * n=_3 si_ * 0.2333 2 180.0000
+ 2.0 2 * n_ n_ * 0.3750 2 180.0000
+ 2.0 2 * n_ na_ * 0.0000 0 0.0000
+ 2.0 2 * n_ np_ * 0.7500 2 180.0000
+ 2.0 2 * n_ np_ h_ 0.3750 2 180.0000
+ 2.0 2 * n_ o_ * 0.5000 2 180.0000
+ 2.0 2 * n_ s_ * 0.5000 2 180.0000
+ 2.0 2 * n_ si_ * 0.0000 0 0.0000
+ 2.0 2 * na_ na_ * 0.2500 3 0.0000
+ 2.0 2 * na_ np_ * 0.0000 0 0.0000
+ 2.0 2 * na_ o_ * 0.0975 3 0.0000
+ 2.0 2 * na_ s_ * 0.0975 3 0.0000
+ 2.0 2 * na_ si_ * 0.0667 3 0.0000
+ 2.0 2 * np_ np_ * 11.0000 2 180.0000
+ 2.0 2 * np_ np_ h_ 5.5000 2 180.0000
+ 2.0 2 * np_ o_ * 1.0000 2 180.0000
+ 2.0 2 h_ np_ o_ * 0.5000 2 180.0000
+ 2.0 2 * np_ op_ * 11.0000 2 180.0000
+ 2.0 2 h_ np_ op_ * 5.5000 2 180.0000
+ 2.0 2 * np_ s_ * 1.0000 2 180.0000
+ 2.0 2 h_ np_ s_ * 0.5000 2 180.0000
+ 2.0 2 * np_ si_ * 0.2500 2 180.0000
+ 2.0 2 h_ np_ si_ * 0.1250 2 180.0000
+ 2.0 2 * np_ sp_ * 10.0000 2 180.0000
+ 2.0 2 h_ np_ sp_ * 5.5000 2 180.0000
+ 2.0 2 * o_ o_ * 1.0000 3 0.0000
+ 2.0 2 * o_ p_ * 0.3750 3 0.0000
+ 2.0 2 * o_ s_ * 1.0000 3 0.0000
+ 2.0 2 * o_ si_ * 0.3333 3 0.0000
+ 2.0 2 * p_ s_ * 0.3750 3 0.0000
+ 2.0 2 * p_ si_ * 0.0000 3 0.0000
+ 2.0 2 * s_ s_ * 5.5000 2 0.0000
+ 2.0 2 * s_ si_ * 0.2333 3 0.0000
+ 2.0 2 * si_ si_ * 0.1667 3 0.0000
+
+
+#torsion_3 cff91
+
+> E = SUM(n=1,3) { V(n) * [ 1 + cos(n*Phi - Phi0(n)) ] }
+
+!Ver Ref I J K L V(1) Phi1(0) V(2) Phi2(0) V(3) Phi3(0)
+!--- --- ----- ----- ----- ----- -------- ------- -------- ------- -------- -------
+ 3.0 10 oah az oah hoa 0.2821 0.0 -0.0644 0.0 0.0752 0.0
+ 3.0 10 oas az oah hoa 0.0574 0.0 -0.3288 0.0 0.1277 0.0
+ 3.0 10 ob az oah hoa -0.7542 0.0 -0.7885 0.0 -0.3199 0.0
+ 3.0 10 oah az oas sz 1.5821 0.0 2.8457 0.0 0.8378 0.0
+ 3.0 10 oas az oas sz -4.8417 0.0 -0.6233 0.0 -1.7530 0.0
+ 3.0 10 ob az oas sz -0.0282 0.0 5.2299 0.0 -1.6555 0.0
+ 3.0 10 oah az ob hb 8.3762 0.0 0.4366 0.0 -0.2767 0.0
+ 3.0 10 oah az ob sz 1.1339 0.0 -0.4378 0.0 0.2658 0.0
+ 3.0 10 oas az ob hb 6.7872 0.0 1.7367 0.0 0.1690 0.0
+ 3.0 10 oas az ob sz -0.5306 0.0 -1.2578 0.0 -0.1954 0.0
+ 3.0 10 ob az ob hb 6.7872 0.0 1.7367 0.0 0.1690 0.0
+ 3.0 10 ob az ob hoa -0.7542 0.0 -0.7885 0.0 -0.3199 0.0
+ 3.0 10 ob az ob sz -0.5306 0.0 -1.2578 0.0 -0.1954 0.0
+ 2.1 8 br c c br 0.0000 0.0 0.0000 0.0 -0.2000 0.0
+ 2.1 8 br c c c 0.0000 0.0 0.0000 0.0 0.1500 0.0
+ 2.1 8 br c c cl 0.0000 0.0 0.0000 0.0 -0.2000 0.0
+ 2.1 8 br c c f 0.0000 0.0 0.0000 0.0 -0.2000 0.0
+ 2.1 8 br c c h 0.0000 0.0 0.0000 0.0 -0.2000 0.0
+ 2.1 8 c c c c 0.0000 0.0 0.0514 0.0 -0.1430 0.0
+ 1.0 1 c c c c 0.1223 0.0 0.0514 0.0 -0.2230 0.0
+ 1.0 1 c c c c- -0.4054 0.0 0.4825 0.0 0.4345 0.0
+ 1.0 1 c c c c= 0.0883 0.0 0.0000 0.0 -0.0198 0.0
+ 1.0 1 c c c c=1 0.0883 0.0 0.0000 0.0 -0.0198 0.0
+ 1.0 1 c c c c=2 0.0883 0.0 0.0000 0.0 -0.0198 0.0
+ 2.1 8 c c c c_0 0.0929 0.0 0.0689 0.0 -0.2466 0.0
+ 2.1 8 c c c c_1 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 2.1 8 c c c cl 0.0000 0.0 0.0000 0.0 0.1500 0.0
+ 2.1 8 c c c f 0.0000 0.0 0.0000 0.0 0.1500 0.0
+ 2.1 8 c c c h 0.0000 0.0 0.0316 0.0 -0.1681 0.0
+ 1.0 1 c c c h 0.0000 0.0 0.0316 0.0 -0.1781 0.0
+ 1.0 1 c c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.0 1 c c c n+ -1.9394 0.0 0.0086 0.0 0.2775 0.0
+ 1.1 1 c c c n= 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.1 1 c c c n=1 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.1 1 c c c n=2 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 2.1 7 c c c n_2 0.0000 0.0 0.0000 0.0 -0.1441 0.0
+ 1.0 1 c c c na 0.1764 0.0 0.1766 0.0 -0.5206 0.0
+ 1.0 1 c c c o 0.7137 0.0 0.2660 0.0 -0.2545 0.0
+ 2.1 6 c c c o_2 0.0000 0.0 0.0000 0.0 -0.2500 0.0
+ 2.0 5 c c c oz -3.6896 0.0 0.0000 0.0 0.0000 0.0
+ 1.0 1 c c c s -0.7017 0.0 0.0201 0.0 0.1040 0.0
+ 2.2 9 c c c si 0.0000 0.0 0.0514 0.0 -0.1430 0.0
+ 1.3 1 c- c c c_1 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 1 c- c c cp 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.0 1 c- c c h -1.2767 0.0 0.5949 0.0 0.2379 0.0
+ 1.3 1 c- c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.0 1 c= c c c= 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 1.0 1 c= c c c=1 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 1.0 1 c= c c c=2 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 1.0 1 c= c c h 0.0000 0.0 0.0000 0.0 -0.1166 0.0
+ 1.0 1 c=1 c c c=1 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 1.0 1 c=1 c c c=2 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 1.0 1 c=1 c c h 0.0000 0.0 0.0000 0.0 -0.1166 0.0
+ 1.0 1 c=2 c c c=2 0.0000 0.0 0.0000 0.0 -0.3160 0.0
+ 1.0 1 c=2 c c h 0.0000 0.0 0.0000 0.0 -0.1166 0.0
+ 2.1 8 c_0 c c c_0 -1.2352 0.0 -0.2551 0.0 -0.1335 0.0
+ 1.3 1 c_0 c c c_1 -1.2352 0.0 -0.2551 0.0 -0.1335 0.0
+ 2.1 8 c_0 c c cp 0.0929 0.0 0.0689 0.0 -0.2466 0.0
+ 2.1 8 c_0 c c h -0.1569 0.0 -0.2030 0.0 -0.1599 0.0
+ 1.3 1 c_0 c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 2.1 8 c_0 c c o -0.0858 0.0 -0.1320 0.0 -0.5909 0.0
+ 1.0 1 c_1 c c c_1 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 1 c_1 c c cp 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 2.1 8 c_1 c c h -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 1.0 1 c_1 c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 1.3 1 c_1 c c o -0.0858 0.0 -0.1320 0.0 -0.5909 0.0
+ 1.3 1 c_1 c c s 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 2.1 8 cl c c cl 0.0000 0.0 0.0000 0.0 -0.1000 0.0
+ 2.1 8 cl c c f 0.0000 0.0 0.0000 0.0 -0.1000 0.0
+ 2.1 8 cl c c h 0.0000 0.0 0.0000 0.0 -0.1000 0.0
+ 1.3 1 cp c c h -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 1.3 1 cp c c n 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 2.2 9 cp c c si 0.0000 0.0 0.0514 0.0 -0.1430 0.0
+ 2.1 8 f c c f 0.0000 0.0 0.0000 0.0 -0.1000 0.0
+ 2.1 8 f c c h 0.0000 0.0 0.0000 0.0 -0.1000 0.0
+ 2.1 8 h c c h -0.1432 0.0 0.0617 0.0 -0.1083 0.0
+ 1.0 1 h c c h -0.2432 0.0 0.0617 0.0 -0.1383 0.0
+ 1.0 1 h c c n -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 1.0 1 h c c n+ -0.2179 0.0 -0.4127 0.0 -0.1252 0.0
+ 1.1 1 h c c n= -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 1.1 1 h c c n=1 -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 1.1 1 h c c n=2 -0.0228 0.0 0.0280 0.0 -0.1863 0.0
+ 2.1 7 h c c n_2 0.0000 0.0 0.0000 0.0 -0.1441 0.0
+ 1.0 1 h c c na -0.2428 0.0 0.4065 0.0 -0.3079 0.0
+ 1.0 1 h c c nr -0.5336 0.0 -0.0444 0.0 -0.1432 0.0
+ 1.0 1 h c c o -0.1435 0.0 0.2530 0.0 -0.0905 0.0
+ 2.1 6 h c c o_2 0.0000 0.0 0.0000 0.0 -0.2500 0.0
+ 2.0 5 h c c oz -3.6896 0.0 0.0000 0.0 0.0000 0.0
+ 1.0 1 h c c s -0.2078 0.0 -0.1060 0.0 -0.3595 0.0
+ 2.2 9 h c c si 0.0000 0.0 0.0514 0.0 -0.1430 0.0
+ 1.3 1 n c c o -0.1820 0.0 -0.1084 0.0 -0.7047 0.0
+ 1.3 1 n c c s 0.0972 0.0 0.0722 0.0 -0.2581 0.0
+ 2.1 7 n_2 c c n_2 0.0000 0.0 0.0060 0.0 -0.1441 0.0
+ 2.1 7 n_2 c c o_2 0.0000 0.0 0.0000 0.0 -0.1441 0.0
+ 1.0 1 na c c na 0.3805 0.0 0.3547 0.0 -0.1102 0.0
+ 1.0 1 o c c o -0.1820 0.0 -0.1084 0.0 -0.7047 0.0
+ 2.1 6 o_2 c c o_2 -0.6070 0.0 0.0060 0.0 -0.1441 0.0
+ 2.0 5 oz c c oz -0.6070 0.0 0.0060 0.0 -0.1441 0.0
+ 1.0 1 s c c s -1.2002 0.0 -1.2999 0.0 -0.1626 0.0
+ 1.0 1 c c c- o- 1.7311 0.0 1.8510 0.0 -0.1933 0.0
+ 1.0 1 h c c- o- -2.5999 0.0 1.0488 0.0 -0.2089 0.0
+ 1.3 1 n c c- o- 0.0899 0.0 0.1220 0.0 0.0905 0.0
+ 1.0 1 c c c= c -0.0871 0.0 0.0619 0.0 -0.7371 0.0
+ 1.0 1 c c c= c= 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 1.0 1 c c c= c=1 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 1.0 1 c c c= c=2 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 1.0 1 c c c= h -0.2433 0.0 0.0000 0.0 -0.3281 0.0
+ 1.0 1 c= c c= c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c= c c= c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c= c c= c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c= c c= h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 1.0 1 c=1 c c= c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=1 c c= c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=1 c c= c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=1 c c= h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 1.0 1 c=2 c c= c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=2 c c= c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=2 c c= c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=2 c c= h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 1.0 1 h c c= c -0.1143 0.0 0.0000 0.0 -0.1682 0.0
+ 1.0 1 h c c= c= 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 1.0 1 h c c= c=1 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 1.0 1 h c c= c=2 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 1.0 1 h c c= h -0.1143 0.0 0.0000 0.0 -0.1349 0.0
+ 1.0 1 c c c=1 c -0.0871 0.0 0.0619 0.0 -0.7371 0.0
+ 1.0 1 c c c=1 c= 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 1.0 1 c c c=1 c=1 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 1.0 1 c c c=1 c=2 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 1.0 1 c c c=1 h -0.2433 0.0 0.0000 0.0 -0.3281 0.0
+ 1.0 1 c= c c=1 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c= c c=1 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c= c c=1 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c= c c=1 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 1.0 1 c=1 c c=1 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=1 c c=1 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=1 c c=1 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=1 c c=1 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 1.0 1 c=2 c c=1 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=2 c c=1 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=2 c c=1 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=2 c c=1 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 1.0 1 h c c=1 c -0.1143 0.0 0.0000 0.0 -0.1682 0.0
+ 1.0 1 h c c=1 c= 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 1.0 1 h c c=1 c=1 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 1.0 1 h c c=1 c=2 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 1.0 1 h c c=1 h -0.1143 0.0 0.0000 0.0 -0.1349 0.0
+ 1.0 1 c c c=2 c -0.0871 0.0 0.0619 0.0 -0.7371 0.0
+ 1.0 1 c c c=2 c= 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 1.0 1 c c c=2 c=1 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 1.0 1 c c c=2 c=2 0.2433 0.0 0.0000 0.0 0.1040 0.0
+ 1.0 1 c c c=2 h -0.2433 0.0 0.0000 0.0 -0.3281 0.0
+ 1.0 1 c= c c=2 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c= c c=2 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c= c c=2 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c= c c=2 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 1.0 1 c=1 c c=2 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=1 c c=2 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=1 c c=2 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=1 c c=2 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 1.0 1 c=2 c c=2 c= 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=2 c c=2 c=1 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=2 c c=2 c=2 0.0025 0.0 0.0000 0.0 0.0173 0.0
+ 1.0 1 c=2 c c=2 h 0.0025 0.0 0.0000 0.0 -0.2911 0.0
+ 1.0 1 h c c=2 c -0.1143 0.0 0.0000 0.0 -0.1682 0.0
+ 1.0 1 h c c=2 c= 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 1.0 1 h c c=2 c=1 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 1.0 1 h c c=2 c=2 0.1143 0.0 0.0000 0.0 0.1854 0.0
+ 1.0 1 h c c=2 h -0.1143 0.0 0.0000 0.0 -0.1349 0.0
+ 2.1 8 c c c_0 c 0.2904 0.0 1.0177 0.0 -0.1085 0.0
+ 2.1 8 c c c_0 cp 0.2904 0.0 1.0177 0.0 -0.1085 0.0
+ 2.1 8 c c c_0 h 0.3055 0.0 0.6703 0.0 -0.2816 0.0
+ 2.1 8 c c c_0 o_1 0.6989 0.0 1.2089 0.0 -0.0445 0.0
+ 2.1 8 cp c c_0 o_1 0.6989 0.0 1.2089 0.0 -0.0445 0.0
+ 2.1 8 h c c_0 c -0.4768 0.0 0.6051 0.0 -0.1205 0.0
+ 2.1 8 h c c_0 cp -0.4768 0.0 0.6051 0.0 -0.1205 0.0
+ 2.1 8 h c c_0 h -0.5265 0.0 0.3627 0.0 -0.1792 0.0
+ 2.1 8 h c c_0 o_1 -0.9975 0.0 0.9060 0.0 -0.0195 0.0
+ 1.0 1 o c c_0 h -0.0390 0.0 1.4052 0.0 0.0757 0.0
+ 1.0 1 o c c_0 o_1 0.6444 0.0 0.7897 0.0 1.0604 0.0
+ 2.1 8 c c c_1 n_2 0.1693 0.0 -0.0090 0.0 -0.0687 0.0
+ 2.1 8 c c c_1 o_1 0.0442 0.0 0.0292 0.0 0.0562 0.0
+ 2.1 8 c c c_1 o_2 1.8341 0.0 2.0603 0.0 -0.0195 0.0
+ 2.1 8 h c c_1 n_2 0.1693 0.0 -0.0090 0.0 -0.0687 0.0
+ 2.1 8 h c c_1 o_1 -0.1804 0.0 0.0012 0.0 0.0371 0.0
+ 2.1 8 h c c_1 o_2 -0.6359 0.0 1.4807 0.0 -0.0438 0.0
+ 1.0 1 n c c_1 n -0.0892 0.0 0.1259 0.0 -0.0884 0.0
+ 1.0 1 n c c_1 o_1 0.0899 0.0 0.1220 0.0 0.0905 0.0
+ 1.3 1 n+ c c_1 n -0.0892 0.0 0.1259 0.0 -0.0884 0.0
+ 1.3 1 n+ c c_1 o_1 0.0899 0.0 0.1220 0.0 0.0905 0.0
+ 1.3 1 c c cp cp -0.2802 0.0 -0.0678 0.0 -0.0122 0.0
+ 1.3 1 c c cp np -0.2802 0.0 -0.0678 0.0 -0.0122 0.0
+ 1.5 1 cp c cp cp -0.2802 0.0 -0.0678 0.0 -0.0122 0.0
+ 2.0 1 h c cp cp -0.2801 0.0 -0.0678 0.0 -0.0122 0.0
+ 1.0 1 h c cp cp -0.2802 0.0 -0.0678 0.0 -0.0122 0.0
+ 1.3 1 h c cp np -0.2802 0.0 -0.0678 0.0 -0.0122 0.0
+ 1.0 1 c c n c -0.0017 0.0 -0.0072 0.0 0.0008 0.0
+ 1.0 1 c c n c_1 0.0143 0.0 -0.0132 0.0 0.0091 0.0
+ 1.0 1 c c n h* -0.0483 0.0 -0.0077 0.0 -0.0014 0.0
+ 1.3 1 c- c n c_1 -0.0688 0.0 0.0762 0.0 -0.0618 0.0
+ 1.3 1 c- c n h* 0.0546 0.0 0.0756 0.0 0.0728 0.0
+ 1.0 1 c_1 c n c -0.0036 0.0 0.0049 0.0 0.0039 0.0
+ 1.0 1 c_1 c n c_1 -0.0688 0.0 0.0762 0.0 -0.0618 0.0
+ 1.0 1 c_1 c n h* 0.0546 0.0 0.0756 0.0 0.0728 0.0
+ 1.0 1 h c n c 0.0406 0.0 0.0354 0.0 -0.1649 0.0
+ 1.0 1 h c n c_1 0.0219 0.0 -0.0260 0.0 0.0714 0.0
+ 1.0 1 h c n h* -0.0148 0.0 -0.0791 0.0 -0.0148 0.0
+ 1.0 1 c c n+ c 0.7077 0.0 -0.3744 0.0 -0.1914 0.0
+ 1.0 1 c c n+ h+ -0.8792 0.0 -0.5978 0.0 -0.3242 0.0
+ 1.3 1 c_0 c n+ h+ -0.8792 0.0 -0.5978 0.0 -0.3242 0.0
+ 1.3 1 c_1 c n+ h+ -0.8792 0.0 -0.5978 0.0 -0.3242 0.0
+ 1.0 1 h c n+ c 0.3624 0.0 0.1012 0.0 -0.2486 0.0
+ 1.0 1 h c n+ h+ -0.2458 0.0 -0.2789 0.0 -0.0294 0.0
+ 1.1 1 c c n= cr 0.0143 0.0 -0.0132 0.0 0.0091 0.0
+ 1.1 1 h c n= cr 0.5865 0.0 -0.5482 0.0 -0.2767 0.0
+ 1.1 1 c c n=1 cr 0.0143 0.0 -0.0132 0.0 0.0091 0.0
+ 1.1 1 h c n=1 cr 0.5865 0.0 -0.5482 0.0 -0.2767 0.0
+ 1.1 1 c c n=2 cr 0.0143 0.0 -0.0132 0.0 0.0091 0.0
+ 1.1 1 h c n=2 cr 0.5865 0.0 -0.5482 0.0 -0.2767 0.0
+ 2.1 7 c c n_2 c_1 0.0000 0.0 0.0000 0.0 -0.2263 0.0
+ 2.1 7 c c n_2 c_2 0.0000 0.0 0.0000 0.0 -0.2263 0.0
+ 2.1 7 c c n_2 hn2 0.0000 0.0 0.0000 0.0 -0.3263 0.0
+ 2.1 7 h c n_2 c_1 0.0000 0.0 0.0000 0.0 -0.2263 0.0
+ 2.1 7 h c n_2 c_2 0.0000 0.0 0.0000 0.0 -0.2263 0.0
+ 2.1 7 h c n_2 hn2 0.0000 0.0 0.0000 0.0 -0.3263 0.0
+ 1.0 1 c c na c -0.1406 0.0 0.4168 0.0 0.0150 0.0
+ 1.0 1 c c na h* -1.1506 0.0 -0.6344 0.0 -0.1845 0.0
+ 1.0 1 h c na c 0.1904 0.0 -0.1342 0.0 -0.2460 0.0
+ 1.0 1 h c na h* -0.5187 0.0 -0.4837 0.0 -0.1692 0.0
+ 1.0 1 c c nr c+ -5.4418 0.0 -0.0437 0.0 0.8035 0.0
+ 1.0 1 c c nr h* -5.0724 0.0 -0.4980 0.0 -0.4381 0.0
+ 1.0 1 h c nr c+ 2.8272 0.0 -0.3930 0.0 -0.3847 0.0
+ 1.0 1 h c nr h* 1.2659 0.0 -0.7739 0.0 0.0378 0.0
+ 1.0 1 c c o c -0.5203 0.0 -0.3028 0.0 -0.3450 0.0
+ 1.0 1 c c o c_0 0.1302 0.0 -0.3250 0.0 0.1134 0.0
+ 1.0 1 c c o h* -0.6732 0.0 -0.4778 0.0 -0.1670 0.0
+ 1.0 1 c_0 c o c_0 -1.8534 0.0 0.1981 0.0 0.2423 0.0
+ 1.0 1 h c o c 0.5302 0.0 0.0000 0.0 -0.3966 0.0
+ 1.0 1 h c o c_0 0.9513 0.0 0.1155 0.0 0.0720 0.0
+ 1.4 1 h c o cp 0.9513 0.0 0.1155 0.0 0.0720 0.0
+ 1.0 1 h c o h* 0.1863 0.0 -0.4338 0.0 -0.2121 0.0
+ 2.1 6 c c o_2 c_1 0.0000 0.0 0.0000 0.0 -0.1932 0.0
+ 2.1 7 c c o_2 c_2 0.0000 0.0 0.0000 0.0 -0.0882 0.0
+ 2.1 6 c_1 c o_2 c_1 0.0000 0.0 0.0000 0.0 -0.1932 0.0
+ 2.1 6 h c o_2 c_1 0.0000 0.0 0.0000 0.0 -0.1932 0.0
+ 2.1 7 h c o_2 c_2 0.0000 0.0 0.0000 0.0 -0.0882 0.0
+ 2.0 5 c c oz cz 0.0000 0.0 0.0000 0.0 -0.1932 0.0
+ 2.0 5 h c oz cz 0.0000 0.0 0.0000 0.0 -0.1932 0.0
+ 2.0 5 oz c oz cz 0.0000 0.0 0.0000 0.0 -0.1932 0.0
+ 1.0 1 c c s c -0.5073 0.0 0.0155 0.0 -0.0671 0.0
+ 1.0 1 c c s h -0.4871 0.0 -0.4514 0.0 -0.1428 0.0
+ 1.0 1 c c s s -0.6269 0.0 -0.9598 0.0 -0.4957 0.0
+ 1.0 1 h c s c -0.3338 0.0 -0.0684 0.0 -0.1706 0.0
+ 1.0 1 h c s h -0.5374 0.0 -0.5091 0.0 -0.1361 0.0
+ 1.0 1 h c s s -0.0610 0.0 -0.6387 0.0 -0.3072 0.0
+ 1.0 1 s c s c -1.9835 0.0 -1.9213 0.0 -0.3816 0.0
+ 1.0 1 s c s h -0.0591 0.0 -0.6235 0.0 -0.0788 0.0
+ 2.2 9 c c si c 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 c c si cp 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 c c si h 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 c c si si -0.3500 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 cp c si c 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 cp c si cp 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 cp c si h 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 cp c si si 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 h c si c 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 h c si cp 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 h c si h 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 2.2 9 h c si si 0.0000 0.0 0.0000 0.0 -0.0657 0.0
+ 1.0 4 h c sio c -1.3513 0.0 0.0000 0.0 -0.0580 0.0
+ 1.0 4 h c sio h -0.9301 0.0 0.0000 0.0 -0.1259 0.0
+ 1.0 4 h c sio osi -1.3513 0.0 0.0000 0.0 -0.0580 0.0
+ 1.0 1 nr c+ nr c -0.6197 0.0 3.0539 0.0 0.1861 0.0
+ 1.0 1 nr c+ nr h* -7.2378 0.0 1.9150 0.0 0.1436 0.0
+ 1.0 1 c c= c= c 0.0860 0.0 5.1995 0.0 0.0000 0.0
+ 1.0 1 c c= c= h 0.0000 0.0 5.2097 0.0 0.0000 0.0
+ 1.0 1 h c= c= h 0.0000 0.0 4.8974 0.0 0.0000 0.0
+ 1.0 1 c c= c=1 c 0.0860 0.0 5.1995 0.0 0.0000 0.0
+ 1.0 1 c c= c=1 h 0.0000 0.0 5.2097 0.0 0.0000 0.0
+ 1.0 1 h c= c=1 c 0.0000 0.0 5.2097 0.0 0.0000 0.0
+ 1.0 1 h c= c=1 h 0.0000 0.0 4.8974 0.0 0.0000 0.0
+ 1.0 1 c c= c=2 c 0.0860 0.0 5.1995 0.0 0.0000 0.0
+ 1.0 1 c c= c=2 h 0.0000 0.0 5.2097 0.0 0.0000 0.0
+ 1.0 1 h c= c=2 c 0.0000 0.0 5.2097 0.0 0.0000 0.0
+ 1.0 1 h c= c=2 h 0.0000 0.0 4.8974 0.0 0.0000 0.0
+ 2.1 8 o_1 c_0 cp cp 0.0000 0.0 0.9063 0.0 0.0000 0.0
+ 1.0 1 o_1 c_0 o c 0.8905 0.0 3.2644 0.0 0.2646 0.0
+ 2.1 8 n_2 c_1 cp cp 0.0000 0.0 0.9063 0.0 0.0000 0.0
+ 2.1 6 o_1 c_1 cp cp 0.0000 0.0 0.9063 0.0 0.0000 0.0
+ 2.1 6 o_2 c_1 cp cp 0.0000 0.0 0.9063 0.0 0.0000 0.0
+ 1.0 1 h c_1 n c_1 0.1907 0.0 1.1212 0.0 0.0426 0.0
+ 1.0 1 n c_1 n h* -0.7358 0.0 0.4643 0.0 -1.1098 0.0
+ 1.0 1 o_1 c_1 n c 0.8297 0.0 3.7234 0.0 -0.0495 0.0
+ 1.0 1 o_1 c_1 n c_1 -0.4066 0.0 1.2513 0.0 -0.7507 0.0
+ 1.0 1 o_1 c_1 n h* -1.6938 0.0 2.7386 0.0 -0.3360 0.0
+ 2.1 8 c c_1 n_2 c -0.7532 0.0 2.7392 0.0 0.0907 0.0
+ 2.1 8 c c_1 n_2 hn2 -0.8236 0.0 2.1467 0.0 -0.2142 0.0
+ 2.1 8 cp c_1 n_2 c -1.1077 0.0 2.0082 0.0 0.0000 0.0
+ 2.1 8 cp c_1 n_2 cp -1.1077 0.0 2.0082 0.0 0.0000 0.0
+ 2.1 8 cp c_1 n_2 hn2 -1.1077 0.0 2.0082 0.0 0.0000 0.0
+ 2.1 8 h c_1 n_2 c 0.3345 0.0 2.5838 0.0 -0.4006 0.0
+ 2.1 8 h c_1 n_2 hn2 -0.0078 0.0 2.6186 0.0 -0.0900 0.0
+ 2.1 7 o_1 c_1 n_2 c 0.0000 0.0 2.0521 0.0 0.0000 0.0
+ 2.1 7 o_1 c_1 n_2 cp 0.0000 0.0 2.0521 0.0 0.0000 0.0
+ 2.1 7 o_1 c_1 n_2 hn2 0.0000 0.0 2.0521 0.0 0.0000 0.0
+ 1.0 1 o_1 c_1 o h* -2.7332 0.0 2.9646 0.0 -0.0155 0.0
+ 2.1 8 * c_1 o_2 * -2.5594 0.0 2.2013 0.0 0.0325 0.0
+ 2.1 8 c c_1 o_2 c -2.5594 0.0 2.2013 0.0 0.0325 0.0
+ 2.1 8 c c_1 o_2 ho2 -2.9126 0.0 1.0199 0.0 -0.2077 0.0
+ 2.1 6 c=1 c_1 o_2 ho2 -1.1077 0.0 2.0082 0.0 0.0000 0.0
+ 2.1 6 cp c_1 o_2 c -1.1077 0.0 2.0082 0.0 0.0000 0.0
+ 2.1 6 cp c_1 o_2 cp -1.1077 0.0 2.0082 0.0 0.0000 0.0
+ 2.1 6 cp c_1 o_2 ho2 -1.1077 0.0 2.0082 0.0 0.0000 0.0
+ 2.1 8 h c_1 o_2 c -0.9993 0.0 0.2131 0.0 -0.4274 0.0
+ 2.1 8 h c_1 o_2 ho2 -1.4540 0.0 0.8387 0.0 -0.4912 0.0
+ 2.1 6 o_1 c_1 o_2 c 0.0000 0.0 2.2089 0.0 0.0000 0.0
+ 2.1 6 o_1 c_1 o_2 cp 0.0000 0.0 2.2089 0.0 0.0000 0.0
+ 2.1 6 o_1 c_1 o_2 ho2 0.0000 0.0 2.2089 0.0 0.0000 0.0
+ 2.1 7 n_2 c_2 n_2 c -1.0632 0.0 1.5632 0.0 0.0000 0.0
+ 2.1 7 n_2 c_2 n_2 cp -1.0632 0.0 1.5632 0.0 0.0000 0.0
+ 2.1 7 n_2 c_2 n_2 hn2 -1.0632 0.0 1.5632 0.0 0.0000 0.0
+ 2.1 7 o_1 c_2 n_2 c 0.0000 0.0 2.0521 0.0 0.0000 0.0
+ 2.1 7 o_1 c_2 n_2 cp 0.0000 0.0 2.0521 0.0 0.0000 0.0
+ 2.1 7 o_1 c_2 n_2 hn2 0.0000 0.0 2.0521 0.0 0.0000 0.0
+ 2.1 7 o_2 c_2 n_2 c -1.7177 0.0 1.8863 0.0 0.0000 0.0
+ 2.1 7 o_2 c_2 n_2 cp -1.7177 0.0 1.8863 0.0 0.0000 0.0
+ 2.1 7 o_2 c_2 n_2 hn2 -1.7177 0.0 1.8863 0.0 0.0000 0.0
+ 2.1 7 n_2 c_2 o_2 c -2.9522 0.0 2.4047 0.0 0.0000 0.0
+ 2.1 7 n_2 c_2 o_2 cp -2.9522 0.0 2.4047 0.0 0.0000 0.0
+ 2.1 7 n_2 c_2 o_2 ho2 -2.9522 0.0 2.4047 0.0 0.0000 0.0
+ 2.1 7 o_1 c_2 o_2 c 0.0000 0.0 1.8099 0.0 0.0000 0.0
+ 2.1 7 o_1 c_2 o_2 cp 0.0000 0.0 1.8099 0.0 0.0000 0.0
+ 2.1 7 o_1 c_2 o_2 ho2 0.0000 0.0 1.8099 0.0 0.0000 0.0
+ 2.1 7 o_2 c_2 o_2 c -2.9522 0.0 2.4047 0.0 0.0000 0.0
+ 2.1 7 o_2 c_2 o_2 cp -2.9522 0.0 2.4047 0.0 0.0000 0.0
+ 2.1 7 o_2 c_2 o_2 ho2 -2.9522 0.0 2.4047 0.0 0.0000 0.0
+ 1.0 1 c cp cp cp 0.0000 0.0 4.4072 0.0 0.0000 0.0
+ 1.0 1 c cp cp h 0.0000 0.0 1.5590 0.0 0.0000 0.0
+ 1.3 1 c cp cp nh 0.0000 0.0 3.0202 0.0 0.0000 0.0
+ 2.1 8 c_0 cp cp cp 0.0000 0.0 4.6282 0.0 0.0000 0.0
+ 2.1 8 c_0 cp cp h 0.0000 0.0 2.1670 0.0 0.0000 0.0
+ 2.1 6 c_1 cp cp cp 0.0000 0.0 4.6282 0.0 0.0000 0.0
+ 2.1 6 c_1 cp cp h 0.0000 0.0 2.1670 0.0 0.0000 0.0
+ 1.0 1 cp cp cp cp 8.3667 0.0 1.1932 0.0 0.0000 0.0
+ 1.0 1 cp cp cp h 0.0000 0.0 3.9661 0.0 0.0000 0.0
+ 2.1 7 cp cp cp n_2 0.0000 0.0 3.4040 0.0 0.0000 0.0
+ 1.0 1 cp cp cp nh 11.5270 0.0 2.7183 0.0 0.0000 0.0
+ 1.0 1 cp cp cp nn 0.0000 0.0 5.3826 0.0 0.0000 0.0
+ 1.0 1 cp cp cp np 0.0000 0.0 4.7675 0.0 0.0000 0.0
+ 1.0 1 cp cp cp o 0.0000 0.0 4.8498 0.0 0.0000 0.0
+ 2.1 6 cp cp cp o_2 0.0000 0.0 2.5372 0.0 0.0000 0.0
+ 1.0 1 cp cp cp op 0.0000 0.0 10.6923 0.0 0.0000 0.0
+ 2.0 5 cp cp cp oz 0.0000 0.0 4.6282 0.0 0.0000 0.0
+ 3.1 12 cp cp cp p= 0.0000 0.0 5.4768 0.0 0.0000 0.0
+ 2.2 9 cp cp cp si 0.0000 0.0 4.3270 0.0 0.0000 0.0
+ 1.0 1 cp cp cp sp 0.0000 0.0 9.2097 0.0 0.0000 0.0
+ 1.0 1 h cp cp h 0.0000 0.0 1.8769 0.0 0.0000 0.0
+ 2.1 7 h cp cp n_2 0.0000 0.0 3.4040 0.0 0.0000 0.0
+ 1.0 1 h cp cp nh 0.0000 0.0 3.0202 0.0 0.0000 0.0
+ 1.0 1 h cp cp nn 0.0000 0.0 1.3331 0.0 0.0000 0.0
+ 1.0 1 h cp cp np 0.0000 0.0 3.6689 0.0 0.0000 0.0
+ 1.0 1 h cp cp o 0.0000 0.0 1.7234 0.0 0.0000 0.0
+ 2.1 6 h cp cp o_2 0.0000 0.0 2.1670 0.0 0.0000 0.0
+ 1.0 1 h cp cp op 0.0000 0.0 3.3516 0.0 0.0000 0.0
+ 2.0 5 h cp cp oz 0.0000 0.0 2.1670 0.0 0.0000 0.0
+ 3.1 12 h cp cp p= 0.0000 0.0 2.2698 0.0 0.0000 0.0
+ 2.2 9 h cp cp si 0.0000 0.0 1.5093 0.0 0.0000 0.0
+ 1.0 1 h cp cp sp 0.0000 0.0 3.7957 0.0 0.0000 0.0
+ 1.0 1 nh cp cp nh 0.0000 0.0 12.7748 0.0 0.0000 0.0
+ 1.0 1 nh cp cp np 0.0000 0.0 4.8266 0.0 0.0000 0.0
+ 1.0 1 np cp cp np 0.0000 0.0 8.8338 0.0 0.0000 0.0
+ 1.0 1 np cp cp op 0.0000 0.0 9.7415 0.0 0.0000 0.0
+ 1.0 1 np cp cp sp 0.0000 0.0 8.5974 0.0 0.0000 0.0
+ 2.1 7 cp cp n_2 c_1 0.0000 0.0 0.8107 0.0 0.0000 0.0
+ 2.1 7 cp cp n_2 c_2 0.0000 0.0 0.8107 0.0 0.0000 0.0
+ 2.1 7 cp cp n_2 hn2 0.0000 0.0 0.6107 0.0 0.0000 0.0
+ 1.0 1 cp cp nh cp 10.8765 0.0 6.3475 0.0 0.0000 0.0
+ 1.0 1 cp cp nh h* 0.0000 0.0 1.8202 0.0 0.0000 0.0
+ 1.0 1 cp cp nh np 0.0000 0.0 10.7803 0.0 0.0000 0.0
+ 1.0 1 h cp nh cp 0.0000 0.0 3.7848 0.0 0.0000 0.0
+ 1.0 1 h cp nh h* 0.0000 0.0 1.3342 0.0 0.0000 0.0
+ 1.0 1 h cp nh np 0.0000 0.0 4.1751 0.0 0.0000 0.0
+ 1.0 1 nh cp nh cp 0.0000 0.0 23.0443 0.0 0.0000 0.0
+ 1.0 1 nh cp nh h* 0.0000 0.0 7.0570 0.0 0.0000 0.0
+ 1.0 1 np cp nh cp 0.0000 0.0 20.0173 0.0 0.0000 0.0
+ 1.0 1 np cp nh h* 0.0000 0.0 3.5096 0.0 0.0000 0.0
+ 1.0 1 cp cp nn h* 0.0000 0.0 1.2190 0.0 0.0000 0.0
+ 1.0 1 np cp nn h* 0.0000 0.0 2.0184 0.0 0.0000 0.0
+ 1.3 1 c cp np cp 0.0000 0.0 5.6183 0.0 0.0000 0.0
+ 1.0 1 cp cp np cp 0.0000 0.0 6.8517 0.0 0.0000 0.0
+ 1.0 1 cp cp np nh 0.0000 0.0 5.1942 0.0 0.0000 0.0
+ 1.0 1 cp cp np np 0.0000 0.0 12.0680 0.0 0.0000 0.0
+ 1.0 1 h cp np cp 0.0000 0.0 5.6183 0.0 0.0000 0.0
+ 1.0 1 h cp np nh 0.0000 0.0 5.2455 0.0 0.0000 0.0
+ 1.0 1 h cp np np 0.0000 0.0 6.3346 0.0 0.0000 0.0
+ 1.0 1 nh cp np cp 0.0000 0.0 9.7830 0.0 0.0000 0.0
+ 1.0 1 nn cp np cp 0.0000 0.0 6.7119 0.0 0.0000 0.0
+ 1.0 1 np cp np cp 0.0000 0.0 7.4664 0.0 0.0000 0.0
+ 1.0 1 op cp np cp 0.0000 0.0 15.3660 0.0 0.0000 0.0
+ 1.0 1 op cp np np 0.0000 0.0 11.8577 0.0 0.0000 0.0
+ 1.0 1 sp cp np cp 0.0000 0.0 13.6743 0.0 0.0000 0.0
+ 1.0 1 sp cp np np 0.0000 0.0 11.5762 0.0 0.0000 0.0
+ 1.4 1 cp cp o c 0.0000 0.0 1.5000 0.0 0.0000 0.0
+ 1.0 1 cp cp o h* -0.6900 0.0 0.5097 0.0 0.0095 0.0
+ 2.1 6 cp cp o_2 c_1 0.0000 0.0 0.4561 0.0 0.0000 0.0
+ 2.1 7 cp cp o_2 c_2 0.0000 0.0 0.4961 0.0 0.0000 0.0
+ 1.0 1 cp cp op cp 0.0000 0.0 27.5402 0.0 0.0000 0.0
+ 1.0 1 h cp op cp 0.0000 0.0 2.6043 0.0 0.0000 0.0
+ 1.0 1 np cp op cp 0.0000 0.0 30.4292 0.0 0.0000 0.0
+ 2.0 5 cp cp oz cz -2.4045 0.0 0.4561 0.0 0.0000 0.0
+ 2.0 5 h cp oz cz 0.0000 0.0 0.0000 0.0 0.0000 0.0
+ 3.1 12 * cp p= * -0.2717 0.0 1.1901 0.0 0.0000 0.0
+ 3.1 12 cp cp p= h -0.2717 0.0 1.1901 0.0 0.0000 0.0
+ 3.1 12 cp cp p= n= -0.2717 0.0 1.1901 0.0 0.0000 0.0
+ 2.2 9 cp cp si c 0.0000 0.0 0.0000 0.0 -0.0231 0.0
+ 2.2 9 cp cp si h 0.0000 0.0 0.0000 0.0 -0.0231 0.0
+ 2.2 9 cp cp si si 0.0000 0.0 -0.1000 0.0 -0.0231 0.0
+ 1.0 1 cp cp sp cp 0.0000 0.0 31.5576 0.0 0.0000 0.0
+ 1.0 1 h cp sp cp 0.0000 0.0 4.2145 0.0 0.0000 0.0
+ 1.0 1 np cp sp cp 0.0000 0.0 21.1715 0.0 0.0000 0.0
+ 1.1 1 nr cr n= c -7.3589 0.0 0.4643 0.0 -0.1098 0.0
+ 1.1 1 nr cr n=1 c -7.3589 0.0 0.4643 0.0 -0.1098 0.0
+ 1.1 1 nr cr n=2 c -7.3589 0.0 0.4643 0.0 -0.1098 0.0
+ 1.1 1 n= cr nr h* -0.7358 0.0 0.4643 0.0 -1.1098 0.0
+ 1.1 1 n=1 cr nr h* -0.7358 0.0 0.4643 0.0 -1.1098 0.0
+ 1.1 1 n=2 cr nr h* -0.7358 0.0 0.4643 0.0 -1.1098 0.0
+ 1.1 1 nr cr nr h* -7.2378 0.0 1.9150 0.0 0.1436 0.0
+ 2.0 5 oo cz oz c -4.2342 0.0 1.8099 0.0 0.0000 0.0
+ 2.0 5 oo cz oz cp -3.4253 0.0 2.3292 0.0 0.0000 0.0
+ 2.0 5 oo cz oz ho2 -3.0147 0.0 1.6536 0.0 0.0000 0.0
+ 2.0 5 oz cz oz c -4.0149 0.0 1.8643 0.0 0.0000 0.0
+ 2.0 5 oz cz oz cp -3.2773 0.0 1.3788 0.0 0.0000 0.0
+ 2.0 5 oz cz oz ho2 -3.0513 0.0 1.4279 0.0 -0.1216 0.0
+ 3.1 12 * n p= * 0.0000 0.0 0.0000 0.0 0.0000 0.0
+ 3.1 12 h* n p= h 0.0000 0.0 0.0000 0.0 0.0000 0.0
+ 3.1 12 h* n p= n= 0.0000 0.0 0.0000 0.0 0.0000 0.0
+ 3.1 12 h* n p= o 0.0000 0.0 0.0000 0.0 0.0000 0.0
+ 3.1 12 * n= p= * 0.0000 0.0 0.0000 0.0 -0.3500 0.0
+ 3.1 12 h* n= p= cl 0.0000 0.0 0.0000 0.0 -0.3500 0.0
+ 3.1 12 h* n= p= cp 0.0000 0.0 0.0000 0.0 -0.3500 0.0
+ 3.1 12 h* n= p= f 0.0000 0.0 0.0000 0.0 -0.3500 0.0
+ 3.1 12 h* n= p= h 0.0000 0.0 0.0000 0.0 -0.3500 0.0
+ 3.1 12 h* n= p= o 0.0000 0.0 0.0000 0.0 -0.3500 0.0
+ 3.1 12 p= n= p= h 0.0000 0.0 0.0000 0.0 0.0000 0.0
+ 3.1 12 p= n= p= n= 0.0000 0.0 0.0000 0.0 0.0000 0.0
+ 1.0 1 cp nh np cp 0.0000 0.0 14.4766 0.0 0.0000 0.0
+ 1.0 1 h* nh np cp 0.0000 0.0 7.4549 0.0 0.0000 0.0
+ 1.0 1 cp np np cp 0.0000 0.0 13.7232 0.0 0.0000 0.0
+ 3.1 12 * o p= * 5.7083 0.0 2.1176 0.0 0.0000 0.0
+ 3.1 12 h* o p= h 5.7083 0.0 2.1176 0.0 0.0000 0.0
+ 3.1 12 h* o p= n= 5.7083 0.0 2.1176 0.0 0.0000 0.0
+ 3.1 12 h* o p= o 5.7083 0.0 2.1176 0.0 0.0000 0.0
+ 3.0 10 az oas sz oas -4.8417 0.0 -0.6233 0.0 -1.7530 0.0
+ 3.0 10 az oas sz ob -2.3957 0.0 0.4026 0.0 0.0077 0.0
+ 3.0 10 az oas sz osh 1.0239 0.0 0.2734 0.0 0.0173 0.0
+ 3.0 10 az oas sz oss 0.2875 0.0 1.0574 0.0 -0.0222 0.0
+ 3.0 10 az ob sz oas -23.4547 0.0 5.3019 0.0 1.7206 0.0
+ 3.0 10 az ob sz ob -2.3957 0.0 0.4026 0.0 0.0077 0.0
+ 3.0 10 az ob sz osh -20.7064 0.0 4.3987 0.0 -0.5242 0.0
+ 3.0 10 az ob sz oss -23.4547 0.0 5.3019 0.0 1.7206 0.0
+ 3.0 10 hb ob sz oas -15.3826 0.0 -4.7952 0.0 0.6596 0.0
+ 3.0 10 hb ob sz ob -12.5965 0.0 -5.0843 0.0 0.2414 0.0
+ 3.0 10 hb ob sz osh -12.5965 0.0 -5.0843 0.0 0.2414 0.0
+ 3.0 10 hb ob sz oss -15.3826 0.0 -4.7952 0.0 0.6596 0.0
+ 3.0 10 hos ob sz ob -0.5851 0.0 -1.4467 0.0 -0.3115 0.0
+ 3.0 10 sz ob sz ob -2.3957 0.0 0.4026 0.0 0.0077 0.0
+ 3.0 10 hos osh sz oas 1.1145 0.0 -0.4708 0.0 -0.3937 0.0
+ 3.0 10 hos osh sz ob -0.5851 0.0 -1.4467 0.0 -0.3115 0.0
+ 3.0 10 hos osh sz osh 0.4627 0.0 0.1147 0.0 0.0390 0.0
+ 3.0 10 hos osh sz oss 2.3777 0.0 -0.0069 0.0 -0.5244 0.0
+ 1.0 4 h* osi sio c -0.6741 0.0 0.3661 0.0 -0.1008 0.0
+ 1.0 4 h* osi sio h -0.7720 0.0 0.9364 0.0 -0.1169 0.0
+ 1.0 4 h* osi sio osi -0.6741 0.0 0.3661 0.0 -0.1008 0.0
+ 1.0 4 sio osi sio c 0.0000 0.0 0.0000 0.0 -0.1300 0.0
+ 1.0 4 sio osi sio h 0.0000 0.0 0.0000 0.0 -0.1300 0.0
+ 1.0 4 sio osi sio osi 0.3000 0.0 0.3658 0.0 0.0000 0.0
+ 3.0 10 sz oss sz oas -0.3747 0.0 0.3232 0.0 -0.0194 0.0
+ 3.0 10 sz oss sz ob -2.3957 0.0 0.4026 0.0 0.0077 0.0
+ 3.0 10 sz oss sz osh -0.2403 0.0 0.1673 0.0 0.0002 0.0
+ 3.0 10 sz oss sz oss -0.3417 0.0 0.0961 0.0 0.1683 0.0
+ 1.0 1 c s s c -1.8578 0.0 -3.8321 0.0 -0.4469 0.0
+ 1.0 1 c s s h -0.4956 0.0 -3.4601 0.0 -0.2482 0.0
+ 1.0 1 h s s h -0.0528 0.0 -3.5171 0.0 -0.2394 0.0
+ 2.2 9 c si si c 0.0000 0.0 0.0000 0.0 -0.0653 0.0
+ 2.2 9 c si si cp 0.0000 0.0 0.0000 0.0 -0.0653 0.0
+ 2.2 9 c si si h 0.0000 0.0 0.0000 0.0 -0.0653 0.0
+ 2.2 9 c si si si 0.0000 0.0 0.0000 0.0 -0.0653 0.0
+ 2.2 9 cp si si cp 0.0000 0.0 0.0000 0.0 -0.0653 0.0
+ 2.2 9 cp si si h 0.0000 0.0 0.0000 0.0 -0.0653 0.0
+ 2.2 9 cp si si si 0.0000 0.0 0.0000 0.0 -0.0653 0.0
+ 2.2 9 h si si h 0.0000 0.0 0.0000 0.0 -0.0653 0.0
+ 2.2 9 h si si si 0.0000 0.0 0.0000 0.0 -0.0653 0.0
+ 2.2 9 si si si si 0.0000 0.0 0.0000 0.0 -0.0653 0.0
+
+
+#wilson_out_of_plane cff91
+
+> E = K * (Chi - Chi0)^2
+
+!Ver Ref I J K L KChi Chi0
+!--- --- ----- ----- ----- ----- -------- ---------
+ 1.0 1 nr c+ nr nr 54.4060 0.0000
+ 1.0 1 c c- o- o- 44.1500 0.0000
+ 1.0 1 h c- o- o- 45.7520 0.0000
+ 1.0 1 c c= c c= 2.0568 0.0000
+ 1.0 1 c c= c= h 2.0765 0.0000
+ 1.0 1 c= c= h h 2.8561 0.0000
+ 1.0 1 c c_0 c o_1 38.7949 0.0000
+ 1.0 1 c c_0 cp o_1 38.7949 0.0000
+ 1.0 1 c c_0 h o_1 38.4069 0.0000
+ 1.0 1 c c_0 o o_1 46.9264 0.0000
+ 1.0 1 cp c_0 cp o_1 38.7949 0.0000
+ 1.0 1 cp c_0 h o_1 38.4069 0.0000
+ 1.0 1 h c_0 h o_1 37.8733 0.0000
+ 1.0 1 h c_0 o o_1 45.3800 0.0000
+ 2.1 8 c c_1 n_2 o_1 24.3329 0.0000
+ 2.1 8 c c_1 o_1 o_2 46.9264 0.0000
+ 2.1 8 cp c_1 n_2 o_1 49.3740 0.0000
+ 2.1 6 cp c_1 o_1 o_2 49.3740 0.0000
+ 2.1 7 h c_1 n_2 o_1 23.1691 0.0000
+ 2.1 8 h c_1 o_1 o_2 45.3800 0.0000
+ 2.1 7 n_2 c_2 n_2 o_1 59.3740 0.0000
+ 2.1 7 n_2 c_2 o_1 o_2 49.3740 0.0000
+ 2.1 7 o_1 c_2 o_2 o_2 51.6374 0.0000
+ 2.0 5 c cp cp cp 7.8153 0.0000
+ 1.0 1 c cp cp cp 6.9644 0.0000
+ 1.3 1 c cp cp np 10.4920 0.0000
+ 2.1 6 c_1 cp cp cp 17.0526 0.0000
+ 1.0 1 cp cp cp cp 7.1794 0.0000
+ 3.1 12 cp cp cp h 4.8912 0.0000
+ 1.0 1 cp cp cp h 7.6012 0.0000
+ 2.1 7 cp cp cp n_2 17.0526 0.0000
+ 1.0 1 cp cp cp nh 8.3206 0.0000
+ 1.0 1 cp cp cp nn 10.7855 0.0000
+ 1.0 1 cp cp cp o 13.0421 0.0000
+ 2.1 6 cp cp cp o_2 -8.8126 0.0000
+ 2.0 5 cp cp cp oz 19.8126 0.0000
+ 3.1 12 cp cp cp p= 6.7092 0.0000
+ 2.2 9 cp cp cp si 5.3654 0.0000
+ 1.0 1 cp cp h nh 7.9682 0.0000
+ 1.0 1 cp cp h np 10.4920 0.0000
+ 1.0 1 cp cp h op 8.1654 0.0000
+ 1.0 1 cp cp h sp 5.5684 0.0000
+ 1.0 1 h cp nh nh 10.2877 0.0000
+ 1.0 1 h cp nh np 8.8464 0.0000
+ 1.0 1 h cp np np 14.3802 0.0000
+ 1.0 1 h cp np op 10.8102 0.0000
+ 1.0 1 h cp np sp 7.3414 0.0000
+ 1.0 1 nn cp np np 15.0921 0.0000
+ 1.1 1 n= cr nr nr 54.4060 0.0000
+ 2.0 5 oo cz oz oz 51.6374 0.0000
+ 1.0 1 c n c c_1 0.0000 0.0000
+ 1.0 1 c n c_1 h* 0.0000 0.0000
+ 1.0 1 c_1 n c_1 h* 0.0000 0.0000
+ 1.0 1 c_1 n h* h* 0.0000 0.0000
+ 1.1 1 c n= cr h* 0.3176 0.0000
+ 2.1 8 c n_2 c_1 hn2 -5.3119 0.0000
+ 2.1 7 c n_2 c_2 hn2 -5.3119 0.0000
+ 2.1 8 c_1 n_2 cp hn2 4.4181 0.0000
+ 2.1 8 c_1 n_2 hn2 hn2 -6.5636 0.0000
+ 2.1 7 c_2 n_2 cp hn2 4.4181 0.0000
+ 2.1 7 c_2 n_2 hn2 hn2 -6.5636 0.0000
+ 1.0 1 c na c c 0.0000 0.0000
+ 1.0 1 c na c h* 0.0000 0.0000
+ 1.0 1 c na h* h* 0.0000 0.0000
+ 1.0 1 cp nh cp h* 5.9154 0.0000
+ 1.0 1 cp nh h* np 4.9959 0.0000
+ 1.0 1 cp nn h* h* 0.0000 0.0000
+ 1.0 1 c nr c+ h* 0.3176 0.0000
+ 1.0 1 c+ nr h* h* 1.0035 0.0000
+ 1.1 1 cr nr h* h* 1.0035 0.0000
+ 3.0 10 az ob hb sz 116.0100 3.8934
+
+
+#wilson_out_of_plane cff91_auto
+
+> E = K * (Chi - Chi0)^2
+
+!Ver Ref I J K L KChi Chi0
+!--- --- ----- ----- ----- ----- -------- ---------
+ 2.0 1 * c'_ * * 36.0000 0.0000
+ 2.0 1 * c+_ * * 54.4060 0.0000
+ 2.0 1 * c=_ * * 2.0568 0.0000
+ 2.0 1 * cp_ * * 10.0000 0.0000
+ 2.0 1 * n=_ * * 0.5000 0.0000
+ 2.0 1 * n_ * * 0.1000 0.0000
+ 2.0 1 * na_ * * 0.0000 0.0000
+ 2.0 1 * np_ * * 5.5000 0.0000
+ 2.0 1 * nr_ * * 1.0035 0.0000
+ 2.0 1 * o_ * * 0.0000 0.0000
+ 2.0 1 * p_ * * 0.0000 0.0000
+ 2.0 1 * s_ * * 0.0000 0.0000
+
+
+#nonbond(9-6) cff91
+
+> E = eps(ij) [2(r(ij)*/r(ij))**9 - 3(r(ij)*/r(ij))**6]
+> where r(ij) = [(r(i)**6 + r(j)**6))/2]**(1/6)
+>
+> eps(ij) = 2 sqrt(eps(i) * eps(j)) *
+> r(i)^3 * r(j)^3/[r(i)^6 + r(j)^6]
+
+@type r-eps
+@combination sixth-power
+
+!Ver Ref I r eps
+!--- --- ----- ------------- -----------
+ 2.1 11 Ag 3.0222 4.10020
+ 2.1 11 Al 2.9964 3.32320
+ 2.1 11 Au 3.0177 6.09800
+ 2.0 3 Br 4.2150 0.30500
+ 2.0 3 Cl 3.9150 0.30500
+ 2.1 11 Cr 2.6764 5.80440
+ 2.1 11 Cu 2.6775 3.81870
+ 2.1 11 Fe 2.6595 13.88920
+ 2.1 11 K 4.8858 0.74410
+ 2.1 11 Li 3.2494 0.72140
+ 2.1 11 Mo 2.9184 9.78710
+ 2.1 11 Na 3.9624 0.73800
+ 2.1 11 Ni 2.6105 5.07370
+ 2.1 11 Pb 3.6541 34.18600
+ 2.1 11 Pd 2.8810 6.08460
+ 2.1 11 Pt 2.9034 9.14470
+ 2.1 11 Sn 2.9927 4.84330
+ 2.1 11 W 2.9344 12.04700
+ 2.1 8 ar 3.8400 0.24640
+ 3.0 10 az 0.0001 0.00000
+ 2.1 8 br 4.3000 0.34890
+ 2.0 1 c 4.0100 0.05400
+ 2.0 1 c+ 3.3080 0.12000
+ 2.0 1 c- 3.9080 0.12000
+ 2.1 8 c= 3.9000 0.06400
+ 2.0 1 c= 4.0100 0.06400
+ 2.0 1 c=1 4.0100 0.06400
+ 2.0 1 c=2 4.0100 0.06400
+ 2.0 1 c_0 3.3080 0.12000
+ 2.1 6 c_1 3.8100 0.12000
+ 2.1 7 c_2 3.8100 0.12000
+ 2.1 8 ca+ 3.9800 0.30150
+ 2.1 8 cl 3.9200 0.22470
+ 2.0 1 cp 4.0100 0.06400
+ 2.0 1 cr 3.3080 0.12000
+ 2.0 1 ct 4.0100 0.06400
+ 2.0 5 cz 3.9000 0.06400
+ 2.1 8 f 3.2000 0.05980
+ 2.0 1 h 2.9950 0.02000
+ 2.0 1 h* 1.0980 0.01300
+ 2.0 1 h+ 1.0980 0.01300
+ 3.0 10 hb 1.2149 5.23020
+ 2.1 8 he 2.9000 0.02030
+ 2.1 7 hn2 1.6500 0.01300
+ 2.1 6 ho2 1.1100 0.01300
+ 2.0 5 ho2 1.0100 0.15000
+ 3.0 10 hoa 1.2879 3.68600
+ 3.0 10 hos 2.3541 0.09880
+ 2.2 9 hsi 2.9400 0.02300
+ 2.0 3 i 4.8000 0.40000
+ 2.1 8 kr 4.3000 0.40280
+ 2.0 1 n 4.0700 0.10600
+ 2.0 1 n+ 3.2620 0.06500
+ 3.1 12 n= 3.8000 0.08000
+ 2.0 1 n= 4.1210 0.06200
+ 2.0 1 n=1 4.1210 0.06200
+ 2.0 1 n=2 4.1210 0.06200
+ 2.1 7 n_2 3.6000 0.10600
+ 2.0 1 na 4.0700 0.06500
+ 2.1 8 ne 3.1300 0.07090
+ 2.0 1 nh 4.0700 0.13400
+ 2.0 1 nn 4.0700 0.06500
+ 2.0 1 np 3.5700 0.04100
+ 2.0 1 nr 4.0700 0.10600
+ 2.0 1 nt 3.5700 0.06500
+ 2.1 8 nz 3.7500 0.06500
+ 2.0 1 nz 3.5700 0.06500
+ 2.0 1 o 3.5350 0.24000
+ 2.0 1 o* 3.6080 0.27400
+ 2.0 1 o- 3.5960 0.16700
+ 2.1 8 o= 3.5350 0.06000
+ 2.1 6 o_1 3.3000 0.26700
+ 2.0 1 o_1 3.5350 0.26700
+ 2.1 6 o_2 3.4200 0.24000
+ 3.0 10 oah 3.7245 0.10260
+ 3.0 10 oas 5.2591 0.01290
+ 3.0 10 ob 5.2191 0.01350
+ 2.0 5 oo 3.2000 0.25700
+ 2.0 1 op 3.5350 0.10900
+ 3.0 10 osh 3.4618 0.15910
+ 1.0 4 osi 3.3500 0.24000
+ 3.0 10 oss 3.4506 0.16220
+ 2.0 5 oz 3.3200 0.24000
+ 2.0 3 p 4.2950 0.21500
+ 3.1 12 p= 4.3000 0.21500
+ 2.0 1 s 4.0270 0.07100
+ 2.1 8 s' 4.0270 0.25000
+ 2.0 1 s' 4.0270 0.07100
+ 2.2 9 si 4.4500 0.19000
+ 2.0 3 si 4.4350 0.09500
+ 1.0 4 sio 4.2840 0.07000
+ 2.0 1 sp 4.0270 0.07100
+ 3.0 10 sz 0.0001 0.00000
+ 2.1 8 xe 4.5600 0.45500
+
+
+#bond-bond cff91
+
+> E = K(b,b') * (R - R0) * (R' - R0')
+
+!Ver Ref I J K K(b,b')
+!--- --- ----- ----- ----- --------
+ 3.0 10 oah az oah 16.7944
+ 3.0 10 oah az oas 25.1407
+ 3.0 10 oah az ob 41.5999
+ 3.0 10 oas az oas -108.1740
+ 3.0 10 oas az ob 52.7878
+ 1.0 1 c c c 0.0000
+ 1.0 1 c c c- 16.4650
+ 1.0 1 c c c= 7.7827
+ 1.0 1 c c c=1 7.7827
+ 1.0 1 c c c=2 7.7827
+ 1.0 1 c c c_0 16.1683
+ 2.1 8 c c c_1 5.4199
+ 1.3 1 c c cp 0.0000
+ 1.0 1 c c h 3.3872
+ 1.0 1 c c n 3.5446
+ 1.0 1 c c n+ 16.4280
+ 1.1 1 c c n= 22.7100
+ 1.1 1 c c n=1 22.7100
+ 1.1 1 c c n=2 22.7100
+ 2.1 7 c c n_2 11.1849
+ 1.0 1 c c na 4.6217
+ 1.0 1 c c nr 22.7100
+ 1.0 1 c c o 11.4318
+ 2.1 6 c c o_2 23.2647
+ 1.0 4 c c oz 23.2647
+ 1.0 1 c c s 10.9186
+ 1.0 1 c- c h -1.1701
+ 1.3 1 c- c n 0.0000
+ 1.0 1 c= c c= 3.3730
+ 1.0 1 c= c c=1 3.3730
+ 1.0 1 c= c c=2 3.3730
+ 1.0 1 c= c h 9.9922
+ 1.0 1 c=1 c c=1 3.3730
+ 1.0 1 c=1 c c=2 3.3730
+ 1.0 1 c=1 c h 9.9922
+ 1.0 1 c=2 c c=2 3.3730
+ 1.0 1 c=2 c h 9.9922
+ 1.0 1 c_0 c h 2.2522
+ 1.0 1 c_0 c o 6.2211
+ 2.1 8 c_1 c h 0.7115
+ 1.0 1 c_1 c n -3.8353
+ 1.3 1 c_1 c n+ 0.0000
+ 1.0 1 cp c h 2.9168
+ 1.0 1 h c h 5.3316
+ 1.0 1 h c n 15.2994
+ 1.0 1 h c n+ -1.4797
+ 1.1 1 h c n= 5.6638
+ 1.1 1 h c n=1 5.6638
+ 1.1 1 h c n=2 5.6638
+ 2.1 7 h c n_2 16.1478
+ 1.0 1 h c na 12.4260
+ 1.0 1 h c nr 5.6638
+ 1.0 1 h c o 23.1979
+ 2.1 6 h c o_2 5.6454
+ 1.0 4 h c oz 5.6454
+ 1.0 1 h c s 7.0463
+ 2.2 9 h c si 1.6561
+ 1.0 4 h c sio 6.3820
+ 2.1 6 o_2 c o_2 8.2983
+ 1.0 4 oz c oz 8.2983
+ 1.0 1 s c s -22.3144
+ 1.0 1 nr c+ nr 88.8170
+ 1.0 1 c c- o- 57.8750
+ 1.0 1 h c- o- 55.5960
+ 1.0 1 o- c- o- 166.5900
+ 1.0 1 c c= c 3.3730
+ 1.0 1 c c= c= 17.7913
+ 1.0 1 c c= c=1 17.7913
+ 1.0 1 c c= c=2 17.7913
+ 1.0 1 c c= h 3.4394
+ 1.0 1 c= c= h 10.1047
+ 1.0 1 c=1 c= h 10.1047
+ 1.0 1 c=2 c= h 10.1047
+ 1.0 1 h c= h 4.8506
+ 2.1 8 o- c= o- 170.0000
+ 2.1 8 s' c= s' 120.0000
+ 1.0 1 c c=1 c 3.3730
+ 1.0 1 c c=1 c= 17.7913
+ 1.0 1 c c=1 c=1 17.7913
+ 1.0 1 c c=1 c=2 17.7913
+ 1.0 1 c c=1 h 3.4394
+ 1.0 1 c= c=1 h 10.1047
+ 1.0 1 c=1 c=1 h 10.1047
+ 1.0 1 c=2 c=1 h 10.1047
+ 1.0 1 h c=1 h 4.8506
+ 1.0 1 c c=2 c 3.3730
+ 1.0 1 c c=2 c= 17.7913
+ 1.0 1 c c=2 c=1 17.7913
+ 1.0 1 c c=2 c=2 17.7913
+ 1.0 1 c c=2 h 3.4394
+ 1.0 1 c= c=2 h 10.1047
+ 1.0 1 c=1 c=2 h 10.1047
+ 1.0 1 c=2 c=2 h 10.1047
+ 1.0 1 h c=2 h 4.8506
+ 1.0 1 c c_0 c -7.1992
+ 1.0 1 c c_0 h -6.8198
+ 1.0 1 c c_0 o_1 77.5201
+ 1.0 1 h c_0 h -1.1646
+ 1.0 1 h c_0 o_1 72.7273
+ 1.0 1 o c_0 o_1 210.1813
+ 2.1 8 c c_1 n_2 56.4788
+ 2.1 8 c c_1 o_1 46.0685
+ 2.1 8 c c_1 o_2 19.1069
+ 2.1 8 cp c_1 n_2 69.9445
+ 2.1 6 cp c_1 o_1 116.9445
+ 2.1 6 cp c_1 o_2 69.9445
+ 2.1 8 h c_1 n_2 2.8000
+ 2.1 8 h c_1 o_1 42.1741
+ 2.1 8 h c_1 o_2 33.1111
+ 1.0 1 n c_1 n 25.9530
+ 1.0 1 n c_1 o_1 138.4954
+ 2.1 8 n_2 c_1 o_1 116.9445
+ 2.1 8 n_2 c_1 o_2 84.5263
+ 2.1 6 o_1 c_1 o_2 121.4880
+ 2.1 7 n_2 c_2 n_2 84.5263
+ 2.1 7 n_2 c_2 o_1 115.4645
+ 2.1 7 n_2 c_2 o_2 84.5263
+ 2.1 7 o_1 c_2 o_2 122.4966
+ 2.1 7 o_2 c_2 o_2 83.7102
+ 1.0 1 c cp cp 12.0676
+ 1.3 1 c cp np 0.0000
+ 2.1 6 c_1 cp cp 37.8749
+ 1.0 1 cp cp cp 68.2856
+ 1.0 1 cp cp h 1.0795
+ 2.1 7 cp cp n_2 37.8749
+ 1.0 1 cp cp nh 70.0451
+ 1.0 1 cp cp nn 46.9513
+ 1.0 1 cp cp np 104.8601
+ 1.0 1 cp cp o 48.4754
+ 2.1 6 cp cp o_2 30.3889
+ 1.0 1 cp cp op 80.0290
+ 1.0 4 cp cp oz 30.3889
+ 2.2 9 cp cp si 21.3938
+ 1.0 1 cp cp sp 72.5954
+ 1.0 1 h cp nh 0.8510
+ 1.0 1 h cp np 11.4027
+ 2.1 6 h cp o_2 4.5800
+ 1.0 1 h cp op 2.1806
+ 1.0 4 h cp oz 4.5800
+ 1.0 1 h cp sp -1.0209
+ 1.0 1 nh cp nh 97.2420
+ 1.0 1 nh cp np 124.5049
+ 1.0 1 nn cp np 99.2160
+ 1.0 1 np cp np 125.0057
+ 1.0 1 np cp op 139.6091
+ 1.0 1 np cp sp 123.7272
+ 1.1 1 n= cr nr 116.9445
+ 1.1 1 n=1 cr nr 116.9445
+ 1.1 1 n=2 cr nr 116.9445
+ 1.1 1 nr cr nr 25.9530
+ 1.0 4 oo cz oz 122.4966
+ 1.0 4 oz cz oz 83.7102
+ 1.0 1 c n c -1.4980
+ 1.0 1 c n c_1 12.1186
+ 1.0 1 c n h* -3.4710
+ 1.0 1 c_1 n c_1 25.9530
+ 1.0 1 c_1 n h* -4.3126
+ 1.0 1 h* n h* -0.5655
+ 1.0 1 c n+ c 14.9590
+ 1.0 1 c n+ h+ 8.6951
+ 1.0 1 h+ n+ h+ 2.8266
+ 1.1 1 c n= cr 48.6960
+ 2.1 8 c n_2 c_1 27.8556
+ 2.1 7 c n_2 c_2 27.8556
+ 2.1 7 c n_2 hn2 5.2897
+ 2.1 8 c_1 n_2 cp 41.4233
+ 2.1 8 c_1 n_2 hn2 8.6253
+ 2.1 7 c_2 n_2 cp 41.4233
+ 2.1 7 c_2 n_2 hn2 8.6253
+ 2.1 7 cp n_2 hn2 8.2930
+ 2.1 7 hn2 n_2 hn2 10.2817
+ 1.0 1 c na c -2.1113
+ 1.0 1 c na h* -6.4168
+ 1.0 1 h* na h* -1.8749
+ 1.0 1 cp nh cp 97.2420
+ 1.0 1 cp nh h* 0.5187
+ 1.1 1 cp nh hi 0.5187
+ 1.0 1 cp nh np 99.0082
+ 1.0 1 h* nh np 2.0609
+ 1.1 1 hi nh np 2.0609
+ 1.0 1 cp nn h* 4.5393
+ 1.0 1 h* nn h* -9.9447
+ 1.0 1 cp np cp 125.0057
+ 1.0 1 cp np nh 94.4808
+ 1.0 1 cp np np 140.0177
+ 1.0 1 c nr c+ 48.6960
+ 1.0 1 c nr h* 12.5630
+ 1.0 1 c+ nr h* 15.7970
+ 1.1 1 cr nr h* 0.0000
+ 1.0 1 h* nr h* 1.4574
+ 1.0 1 c o c -7.1131
+ 1.0 1 c o c_0 26.1360
+ 1.0 1 c o h* -9.6879
+ 1.0 1 c_0 o h* -6.2138
+ 1.0 1 cp o h* 20.6577
+ 1.2 1 h* o* h* -9.5000
+ 2.1 6 c o_2 c_1 45.4503
+ 2.1 7 c o_2 c_2 42.0941
+ 2.1 6 c_1 o_2 cp 69.5999
+ 2.1 6 c_1 o_2 ho2 9.5671
+ 2.1 7 c_2 o_2 cp 69.5999
+ 2.1 7 c_2 o_2 ho2 6.9326
+ 3.0 10 az oah hoa 1.0500
+ 3.0 10 az oas sz 33.7345
+ 3.0 10 az ob hb 28.4668
+ 3.0 10 az ob sz 79.6629
+ 3.0 10 hb ob sz -21.7346
+ 1.0 1 cp op cp 109.9080
+ 3.0 10 hos osh sz 8.8125
+ 1.0 4 h* osi sio 6.3820
+ 1.0 4 sio osi sio 41.1143
+ 3.0 10 sz oss sz 178.8840
+ 1.0 4 c oz cz 42.0941
+ 1.0 4 cp oz cz 69.5999
+ 1.0 4 cz oz h 9.8230
+ 1.0 4 cz oz ho2 6.9326
+ 3.1 12 h p= h 20.0000
+ 1.0 1 c s c -22.3144
+ 1.0 1 c s h -0.5700
+ 1.0 1 c s s -3.6612
+ 1.0 1 h s h -0.9847
+ 1.0 1 h s s -0.0556
+ 2.1 8 o- s' o- 40.0000
+ 2.2 9 c si c 3.7419
+ 2.2 9 c si h 3.9264
+ 2.2 9 c si si 2.3030
+ 2.2 9 cp si h 3.9340
+ 2.2 9 h si h 4.6408
+ 2.2 9 h si si 3.5172
+ 2.2 9 si si si 6.0704
+ 1.0 4 c sio c 5.4896
+ 1.0 4 c sio h 4.6016
+ 1.0 4 c sio osi 5.4896
+ 1.0 4 h sio h 2.9645
+ 1.0 4 h sio osi 11.6183
+ 1.0 4 osi sio osi 41.1143
+ 1.0 1 cp sp cp 4.0747
+ 3.0 10 oas sz osh 109.4200
+ 3.0 10 oas sz oss 41.0346
+ 3.0 10 ob sz osh 0.9313
+ 3.0 10 ob sz oss 61.5679
+ 3.0 10 osh sz osh 72.1792
+ 3.0 10 osh sz oss 25.1384
+ 3.0 10 oss sz oss 178.8840
+
+
+#bond-bond_1_3 cff91
+
+> E = K(b,b') * (R - R0) * (R' - R0')
+
+!Ver Ref I J K L K(b,b')
+!--- --- ----- ----- ----- ----- --------
+ 1.0 1 h c cp cp -3.4826
+ 1.0 1 c cp cp cp 2.5085
+ 1.0 1 c cp cp h 0.8743
+ 2.1 8 cp cp cp cp 53.0000
+ 1.0 1 cp cp cp cp -73.6169
+ 1.0 1 cp cp cp h -6.2741
+ 1.0 1 cp cp cp nh -40.3954
+ 1.0 1 cp cp cp nn -9.7999
+ 1.0 1 cp cp cp np -114.6133
+ 1.0 1 cp cp cp o -2.2436
+ 1.0 1 cp cp cp op -73.8410
+ 1.0 1 cp cp cp sp -54.3603
+ 1.0 1 h cp cp h -1.7077
+ 1.0 1 h cp cp nh -6.2449
+ 1.0 1 h cp cp nn -1.0746
+ 1.0 1 h cp cp np 0.7474
+ 1.0 1 h cp cp o 2.0517
+ 1.0 1 h cp cp op -1.7133
+ 1.0 1 h cp cp sp 0.5491
+ 1.0 1 nh cp cp nh -71.6221
+ 1.0 1 nh cp cp np -54.0505
+ 1.0 1 np cp cp np -133.9418
+ 1.0 1 np cp cp op -114.6594
+ 1.0 1 np cp cp sp -87.1462
+ 1.0 1 cp cp nh cp -40.3954
+ 1.0 1 cp cp nh h* -23.4360
+ 1.1 1 cp cp nh hi -23.4360
+ 1.0 1 cp cp nh np -66.7435
+ 1.0 1 h cp nh cp -6.2449
+ 1.0 1 h cp nh h* -1.9118
+ 1.1 1 h cp nh hi -1.9118
+ 1.0 1 h cp nh np -1.3024
+ 1.0 1 nh cp nh cp -71.6221
+ 1.0 1 nh cp nh h* -16.8062
+ 1.1 1 nh cp nh hi -16.8062
+ 1.0 1 np cp nh cp -54.0505
+ 1.0 1 np cp nh h* -33.0647
+ 1.1 1 np cp nh hi -33.0647
+ 1.0 1 cp cp nn h* 4.2366
+ 1.0 1 np cp nn h* -5.1852
+ 1.0 1 cp cp np cp -114.6133
+ 1.0 1 cp cp np nh -66.7435
+ 1.0 1 cp cp np np -149.4151
+ 1.0 1 h cp np cp 0.7474
+ 1.0 1 h cp np nh -1.3024
+ 1.0 1 h cp np np -3.4334
+ 1.0 1 nh cp np cp -54.0505
+ 1.0 1 nn cp np cp 6.4383
+ 1.0 1 np cp np cp -133.9418
+ 1.0 1 op cp np cp -114.6594
+ 1.0 1 op cp np np -101.5242
+ 1.0 1 sp cp np cp -87.1462
+ 1.0 1 sp cp np np -89.5542
+ 1.0 1 cp cp o h* 1.1590
+ 1.0 1 cp cp op cp -73.8410
+ 1.0 1 h cp op cp -1.7133
+ 1.0 1 np cp op cp -114.6594
+ 1.0 1 cp cp sp cp -54.3603
+ 1.0 1 h cp sp cp 0.5491
+ 1.0 1 np cp sp cp -87.1462
+ 1.0 1 cp nh np cp -54.0505
+ 1.0 1 h* nh np cp -33.0647
+ 1.1 1 hi nh np cp -33.0647
+ 1.0 1 cp np np cp -133.9418
+
+
+#bond-angle cff91
+
+> E = K * (R - R0) * (Theta - Theta0)
+
+!Ver Ref I J K K(b,theta) K(b',theta)
+!--- --- ----- ----- ----- ---------- -----------
+ 3.0 10 oah az oah 21.5223
+ 3.0 10 oah az oas 5.5077 45.3577
+ 3.0 10 oah az ob 28.6676 39.7369
+ 3.0 10 oas az oas 72.8961
+ 3.0 10 oas az ob 56.3309 50.5314
+ 1.0 1 c c c 8.0160
+ 1.0 1 c c c* 17.6996 13.7504
+ 1.0 1 c c c- 23.0840 19.1590
+ 1.0 1 c c c= 15.9818 18.9779
+ 1.0 1 c c c=1 15.9818 18.9779
+ 1.0 1 c c c=2 15.9818 18.9779
+ 2.1 8 c c c_1 18.1678 15.8758
+ 1.3 1 c c cp 0.0000 0.0000
+ 1.0 1 c c h 20.7540 11.4210
+ 1.0 1 c c n -5.4790 4.6031
+ 1.0 1 c c n+ 14.0620 49.7730
+ 1.1 1 c c n= 19.2440 59.4220
+ 1.1 1 c c n=1 19.2440 59.4220
+ 1.1 1 c c n=2 19.2440 59.4220
+ 2.1 7 c c n_2 18.3324 46.2073
+ 1.0 1 c c na 6.0876 16.5702
+ 1.0 1 c c nr 19.2440 59.4220
+ 1.0 1 c c o 2.6868 20.4033
+ 2.1 6 c c o_2 23.3920 47.9487
+ 2.0 5 c c oz 23.3920 47.9487
+ 1.0 1 c c s -3.5621 22.3865
+ 1.0 1 c* c h 15.5988 14.6287
+ 1.0 1 c- c h 11.8650 14.9650
+ 1.3 1 c- c n 0.0000 0.0000
+ 1.0 1 c= c c= 8.2266
+ 1.0 1 c= c c=1 8.2266 8.2266
+ 1.0 1 c= c c=2 8.2266 8.2266
+ 1.0 1 c= c h 20.8767 14.2741
+ 1.0 1 c=1 c c=1 8.2266
+ 1.0 1 c=1 c c=2 8.2266 8.2266
+ 1.0 1 c=1 c h 20.8767 14.2741
+ 1.0 1 c=2 c c=2 8.2266
+ 1.0 1 c=2 c h 20.8767 14.2741
+ 1.0 1 c_0 c o -12.1485 6.5577
+ 2.1 8 c_1 c h 12.4632 9.1765
+ 1.0 1 c_1 c n -5.1640 17.3942
+ 1.3 1 c_1 c n+ 0.0000 0.0000
+ 1.0 1 cp c h 26.4608 11.7717
+ 1.0 1 h c h 18.1030
+ 1.0 1 h c n 10.6917 34.8907
+ 1.0 1 h c n+ 15.8820 50.0180
+ 1.1 1 h c n= 6.4066 46.3730
+ 1.1 1 h c n=1 6.4066 46.3730
+ 1.1 1 h c n=2 6.4066 46.3730
+ 2.1 7 h c n_2 12.6574 48.1889
+ 1.0 1 h c na 13.4582 42.4332
+ 1.0 1 h c nr 6.4066 46.3730
+ 1.0 1 h c o 4.6189 55.3270
+ 2.1 6 h c o_2 8.6864 57.4975
+ 2.0 5 h c oz 8.6864 57.4975
+ 1.0 1 h c s 9.3225 44.9874
+ 2.2 9 h c si 16.6908 18.2764
+ 1.0 4 h c sio 14.7189 12.8694
+ 1.0 1 s c s -20.1517
+ 1.0 1 nr c+ nr 60.9880
+ 1.0 1 c c- o- 51.5840 62.0560
+ 1.0 1 h c- o- 36.5860 60.2920
+ 1.0 1 o- c- o- 73.3500
+ 1.0 1 c c= c 4.9578
+ 1.0 1 c c= c= 31.5885 24.2252
+ 1.0 1 c c= c=1 31.5885 24.2252
+ 1.0 1 c c= c=2 31.5885 24.2252
+ 1.0 1 c c= h 17.6452 15.3492
+ 1.0 1 c= c= h 23.3588 19.0592
+ 1.0 1 c=1 c= h 23.3588 19.0592
+ 1.0 1 c=2 c= h 23.3588 19.0592
+ 1.0 1 h c= h 17.9795
+ 1.0 1 c c=1 c 4.9578
+ 1.0 1 c c=1 c= 31.5885 24.2252
+ 1.0 1 c c=1 c=1 31.5885 24.2252
+ 1.0 1 c c=1 c=2 31.5885 24.2252
+ 1.0 1 c c=1 h 17.6452 15.3492
+ 1.0 1 c= c=1 h 23.3588 19.0592
+ 1.0 1 c=1 c=1 h 23.3588 19.0592
+ 1.0 1 c=2 c=1 h 23.3588 19.0592
+ 1.0 1 h c=1 h 17.9795
+ 1.0 1 c c=2 c 4.9578
+ 1.0 1 c c=2 c= 31.5885 24.2252
+ 1.0 1 c c=2 c=1 31.5885 24.2252
+ 1.0 1 c c=2 c=2 31.5885 24.2252
+ 1.0 1 c c=2 h 17.6452 15.3492
+ 1.0 1 c= c=2 h 23.3588 19.0592
+ 1.0 1 c=1 c=2 h 23.3588 19.0592
+ 1.0 1 c=2 c=2 h 23.3588 19.0592
+ 1.0 1 h c=2 h 17.9795
+ 1.0 1 c c_0 c 13.7595
+ 1.0 1 c c_0 h 10.1404 4.8798
+ 1.0 1 c c_0 o_1 31.8455 46.6613
+ 1.0 1 h c_0 h 9.2776
+ 1.0 1 h c_0 o_1 12.4733 63.9355
+ 1.0 1 o c_0 o_1 57.0987 79.4497
+ 2.1 8 c c_1 n_2 25.3712 6.0803
+ 2.1 8 c c_1 o_1 34.9982 37.1298
+ 2.1 8 c c_1 o_2 1.3435 4.6978
+ 2.1 8 cp c_1 n_2 72.8758 76.1093
+ 2.1 6 cp c_1 o_1 72.8758 76.1093
+ 2.1 6 cp c_1 o_2 72.8758 76.1093
+ 2.1 8 h c_1 n_2 22.3253 31.3099
+ 2.1 8 h c_1 o_1 15.2461 49.0551
+ 2.1 8 h c_1 o_2 7.7210 19.8871
+ 1.0 1 n c_1 n 68.0739
+ 1.0 1 n c_1 o_1 62.7124 52.4045
+ 2.1 8 n_2 c_1 o_1 32.8758 46.1093
+ 2.1 6 o_1 c_1 o_2 76.2614 71.8761
+ 2.1 7 n_2 c_2 n_2 49.0875
+ 2.1 7 n_2 c_2 o_1 32.8758 46.1093
+ 2.1 7 n_2 c_2 o_2 32.7624 39.0875
+ 2.1 7 o_1 c_2 o_2 43.6008 31.8533
+ 2.1 7 o_2 c_2 o_2 52.6457
+ 1.0 1 c cp cp 47.0579 31.0771
+ 1.3 1 c cp np 0.0000 0.0000
+ 2.1 6 c_1 cp cp 23.6977 45.8865
+ 1.0 1 cp cp cp 28.8708
+ 1.0 1 cp cp h 20.0033 24.2183
+ 2.1 7 cp cp n_2 35.8865 53.6977
+ 1.0 1 cp cp nh 64.0522 87.1000
+ 1.0 1 cp cp nn 39.4040 73.6548
+ 1.0 1 cp cp np 42.9246 93.4857
+ 1.0 1 cp cp o 58.4790 107.6806
+ 2.1 6 cp cp o_2 49.6672 83.6766
+ 1.0 1 cp cp op 97.6770 187.8282
+ 2.0 5 cp cp oz 49.6672 83.6766
+ 2.2 9 cp cp si 14.5831 23.7679
+ 1.0 1 cp cp sp 98.2635 135.6617
+ 1.0 1 h cp nh 20.9885 28.2335
+ 1.0 1 h cp np 19.5506 39.7430
+ 1.0 1 h cp op 18.9548 46.0338
+ 1.0 1 h cp sp 19.9829 21.5045
+ 1.0 1 nh cp nh 143.5717
+ 1.0 1 nh cp np 105.2357 135.8199
+ 1.0 1 nn cp np 78.2291 53.0190
+ 1.0 1 np cp np 88.0095
+ 1.0 1 np cp op 157.6130 201.2784
+ 1.0 1 np cp sp 158.8190 146.3903
+ 1.1 1 n= cr nr 76.1093 72.8758
+ 1.1 1 n=1 cr nr 76.1093 72.8758
+ 1.1 1 n=2 cr nr 76.1093 72.8758
+ 1.1 1 nr cr nr 68.0739
+ 2.0 5 oo cz oz 73.6008 81.8533
+ 2.0 5 oz cz oz 102.6457
+ 1.0 1 c n c -2.0497
+ 1.0 1 c n c_1 3.7812 14.8633
+ 1.0 1 c n h* 11.8828 5.9339
+ 1.0 1 c_1 n c_1 20.0533
+ 1.0 1 c_1 n h* 29.5743 10.8422
+ 1.0 1 h* n h* 19.8125
+ 1.0 1 c n+ c 23.0930
+ 1.0 1 c n+ h+ 27.8810 6.2182
+ 1.0 1 h+ n+ h+ 10.1080
+ 1.1 1 c n= cr 5.7957 39.5260
+ 1.1 1 c n=1 cr 5.7957 39.5260
+ 1.1 1 c n=2 cr 5.7957 39.5260
+ 2.1 7 c n_2 c_2 24.7740 40.3584
+ 2.1 7 c n_2 hn2 13.8967 10.9972
+ 2.1 7 c_2 n_2 cp 34.7791 24.3705
+ 2.1 7 c_2 n_2 hn2 34.8312 15.0778
+ 2.1 7 cp n_2 hn2 10.4568 12.8217
+ 2.1 7 hn2 n_2 hn2 11.5780
+ 1.0 1 c na c -7.2229
+ 1.0 1 c na h* 31.8096 20.5799
+ 1.0 1 h* na h* 28.0322
+ 1.0 1 cp nh cp 113.4930
+ 1.0 1 cp nh h* 7.7413 4.8660
+ 1.1 1 cp nh hi 7.7413 4.8660
+ 1.0 1 cp nh np 128.9399 188.5399
+ 1.0 1 h* nh np -0.5376 13.6130
+ 1.1 1 hi nh np -0.5376 13.6130
+ 1.0 1 cp nn h* 38.5704 16.5524
+ 1.0 1 h* nn h* 17.1597
+ 1.0 1 cp np cp 111.2194
+ 1.0 1 cp np nh 139.9650 204.4943
+ 1.0 1 cp np np 125.6977 126.6400
+ 1.0 1 c nr c+ 5.7957 39.5260
+ 1.0 1 c nr h* 18.4860 7.8369
+ 1.0 1 c+ nr h* 27.0330 7.9962
+ 1.1 1 cr nr h* 24.8312 15.0778
+ 1.0 1 h* nr h* 8.4895
+ 1.0 1 c o c -2.8112
+ 1.0 1 c o c_0 -16.6748 21.5366
+ 1.0 1 c o h* 28.5800 18.9277
+ 1.0 1 c_0 o h* 29.8208 22.5219
+ 1.0 1 cp o h* 53.8614 23.9224
+ 1.2 1 h* o* h* 22.3500
+ 2.1 6 c o_2 c_1 41.9116 46.4608
+ 2.1 7 c o_2 c_2 32.4816 53.5920
+ 2.1 6 c_1 o_2 cp 64.3958 39.1599
+ 2.1 6 c_1 o_2 ho2 37.9163 21.4364
+ 2.1 7 c_2 o_2 cp 54.3958 39.1599
+ 2.1 7 c_2 o_2 ho2 41.3971 19.6376
+ 3.0 10 az oah hoa 32.5081 25.4496
+ 3.0 10 az oas sz 32.5736 13.0576
+ 3.0 10 az ob hb 8.0309 33.6313
+ 3.0 10 az ob sz -3.0633 51.7087
+ 3.0 10 hb ob sz 32.3573 0.0209
+ 1.0 1 cp op cp 222.4125
+ 3.0 10 hos osh sz 25.8526 52.9983
+ 1.0 4 h* osi sio 18.0902 31.0726
+ 1.0 4 sio osi sio 28.6686
+ 3.0 10 sz oss sz 13.4905
+ 2.0 5 c oz cz 32.4816 53.5920
+ 2.0 5 cp oz cz 39.1599 64.3958
+ 2.0 5 cz oz ho2 41.3971 19.6376
+ 1.0 1 c s c -13.0015
+ 1.0 1 c s h 10.7325 5.1221
+ 1.0 1 c s s -5.3481 13.1766
+ 1.0 1 h s h 7.8128
+ 1.0 1 h s s -4.4794 15.8741
+ 2.2 9 c si c 18.5805
+ 2.2 9 c si h 13.3961 7.4104
+ 2.2 9 c si si 16.9455 11.4377
+ 2.2 9 cp si h 22.5947 8.7811
+ 2.2 9 h si h 9.3467
+ 2.2 9 h si si 5.6630 2.0706
+ 2.2 9 si si si 8.9899
+ 1.0 4 c sio c 4.0414
+ 1.0 4 c sio h 3.3072 7.8353
+ 1.0 4 c sio osi 6.4278 20.5669
+ 1.0 4 h sio h 10.8897
+ 1.0 4 h sio osi 6.4278 20.5669
+ 1.0 4 osi sio osi 23.4380
+ 1.0 4 cp sp cp 187.8084
+ 3.0 10 oas sz osh 31.2369 70.2687
+ 3.0 10 oas sz oss -17.4173 37.4645
+ 3.0 10 ob sz osh 51.9467 96.7731
+ 3.0 10 ob sz oss 15.9469 63.9598
+ 3.0 10 osh sz osh 69.9792
+ 3.0 10 osh sz oss 109.4210 62.4913
+ 3.0 10 oss sz oss 87.3528
+
+
+#angle-angle cff91
+
+> E = K * (Theta - Theta0) * (Theta' - Theta0')
+
+!Ver Ref I J K L K(theta,theta')
+!--- --- ----- ----- ----- ----- ---------------
+ 3.0 10 oah az oah oah 11.3873
+ 3.0 10 oah az oah oas 18.4525
+ 3.0 10 oah az oah ob 9.6474
+ 3.0 10 oas az oah oas 28.5996
+ 3.0 10 oas az oah ob -2.8371
+ 3.0 10 oah az oas oah -1.0313
+ 3.0 10 oah az oas oas 49.3484
+ 3.0 10 oah az oas ob -5.0040
+ 3.0 10 oas az oas ob -7.2623
+ 3.0 10 oah az ob oah 72.3254
+ 3.0 10 oah az ob oas 20.5322
+ 3.0 10 oas az ob oas -3.9236
+ 1.0 1 c c c c -0.1729
+ 1.0 1 c c c c- -7.2391
+ 1.0 1 c c c c_0 -0.4167
+ 1.0 1 c c c h -1.3199
+ 1.0 1 c c c n 0.1524
+ 1.0 1 c c c n+ -6.4251
+ 1.0 1 c c c na 2.1001
+ 1.0 1 c c c o -0.8330
+ 1.0 1 c c c s -0.2564
+ 1.0 1 c- c c h -1.0033
+ 1.3 1 c- c c n -0.8489
+ 1.0 1 c= c c h -1.4639
+ 1.0 1 c_0 c c h -4.5020
+ 1.0 1 c_1 c c h -1.8202
+ 1.0 1 c_1 c c n -0.8489
+ 1.3 1 c_1 c c n+ -0.8489
+ 1.3 1 cp c c h -1.8202
+ 1.0 1 h c c h -0.4825
+ 1.0 1 h c c n -3.3697
+ 1.0 1 h c c n+ 6.0274
+ 1.1 1 h c c n= 1.0909
+ 1.0 1 h c c na 0.5381
+ 1.0 1 h c c nr 1.0909
+ 1.0 1 h c c o 2.5926
+ 1.0 1 h c c s -3.0031
+ 1.0 1 c c c- c -13.2630
+ 1.0 1 c c c- h -0.0414
+ 1.3 1 c c c- n 5.6826
+ 1.0 1 h c c- h -1.8086
+ 1.3 1 h c c- n 0.0575
+ 1.0 1 c c c= h 0.9747
+ 1.0 1 c= c c= h -6.5349
+ 1.0 1 h c c= h -8.2464
+ 1.0 1 c c c_0 c -2.2400
+ 1.0 1 c c c_0 h 0.8378
+ 1.0 1 h c c_0 h -0.3879
+ 1.0 1 h c c_0 o 4.7955
+ 1.0 1 c c c_1 h 2.0403
+ 1.0 1 c c c_1 n 5.6826
+ 1.3 1 c c c_1 n+ 5.6826
+ 1.0 1 h c c_1 h -3.4976
+ 1.0 1 h c c_1 n 0.0575
+ 1.3 1 h c c_1 n+ 0.0575
+ 1.3 1 c c cp h 2.0403
+ 1.0 1 h c cp h 3.0118
+ 1.0 1 c c h c 0.1184
+ 1.0 1 c c h c- 2.4594
+ 1.0 1 c c h c= 4.1941
+ 1.0 1 c c h c_0 1.0992
+ 1.0 1 c c h c_1 1.0827
+ 1.3 1 c c h cp 1.0827
+ 1.0 1 c c h h 0.2738
+ 1.0 1 c c h n -0.8896
+ 1.0 1 c c h n+ 4.2440
+ 1.1 1 c c h n= 2.7533
+ 1.0 1 c c h na 2.4286
+ 1.0 1 c c h nr 2.7533
+ 1.0 1 c c h o 3.9177
+ 1.0 1 c c h s 2.7985
+ 1.0 1 c- c h h 2.7254
+ 1.3 1 c- c h n -1.6511
+ 1.0 1 c= c h c= 0.4530
+ 1.0 1 c= c h h -0.1141
+ 1.0 1 c_0 c h h -1.7653
+ 1.0 1 c_0 c h o -0.4690
+ 1.0 1 c_1 c h h -3.3867
+ 1.0 1 c_1 c h n -1.6511
+ 1.3 1 c_1 c h n+ -1.6511
+ 1.0 1 cp c h h 2.3794
+ 1.0 1 h c h h -0.3157
+ 1.0 1 h c h n 4.2659
+ 1.0 1 h c h n+ 3.5475
+ 1.1 1 h c h n= 1.7680
+ 1.0 1 h c h na 2.4321
+ 1.0 1 h c h nr 1.7680
+ 1.0 1 h c h o 2.4259
+ 1.0 1 h c h s 0.5086
+ 2.2 9 h c h si 0.0000
+ 1.0 1 s c h s 0.4976
+ 1.0 1 c c n c -0.5000
+ 1.3 1 c c n c- 3.9738
+ 1.0 1 c c n c_1 3.9738
+ 1.0 1 c c n h -0.6931
+ 1.3 1 c- c n h 3.0270
+ 1.0 1 c_1 c n h 3.0270
+ 1.0 1 h c n h 2.5621
+ 1.0 1 c c n+ c -4.2781
+ 1.3 1 c c n+ c_1 3.9738
+ 1.0 1 c c n+ h 7.0292
+ 1.3 1 c_1 c n+ h 3.0270
+ 1.0 1 h c n+ h 7.3365
+ 1.1 1 c c n= h -1.3055
+ 1.1 1 h c n= h -2.9474
+ 1.0 1 c c na c 5.9412
+ 1.0 1 c c na h -2.5301
+ 1.0 1 h c na h -3.5496
+ 1.0 1 c c nr h -1.3055
+ 1.0 1 h c nr h -2.9474
+ 1.0 1 c c o c -3.5744
+ 1.0 1 c c o h 0.1689
+ 1.0 1 c_0 c o h -2.9540
+ 1.0 1 h c o h 2.1283
+ 1.0 1 c c s c -0.8766
+ 1.0 1 c c s h -0.0668
+ 1.0 1 h c s h -0.0640
+ 1.0 1 h c s s -1.3396
+ 2.2 9 h c si h 2.2050
+ 1.0 1 nr c+ nr nr 0.0000
+ 1.0 1 o- c- c o- 0.0000
+ 1.0 1 o- c- h o- 0.0000
+ 1.0 1 c c- o- o- 0.0000
+ 1.0 1 h c- o- o- 0.0000
+ 1.0 1 c c= c c= 0.0000
+ 1.0 1 c= c= c h 0.0000
+ 1.0 1 c c= c= c 0.0000
+ 1.0 1 c c= c= h 0.0000
+ 1.0 1 h c= c= h 0.0000
+ 1.0 1 c c= h c= 0.0000
+ 1.0 1 c= c= h h 0.0000
+ 1.0 1 c c_0 c o_1 0.0000
+ 1.0 1 h c_0 c o_1 0.0000
+ 1.0 1 o c_0 c o_1 0.0000
+ 1.0 1 c c_0 h o_1 0.0000
+ 1.0 1 h c_0 h o_1 0.0000
+ 1.0 1 o c_0 h o_1 0.0000
+ 1.0 1 c c_0 o o_1 0.0000
+ 1.0 1 h c_0 o o_1 0.0000
+ 1.0 1 c c_0 o_1 c 0.0000
+ 1.0 1 c c_0 o_1 h 0.0000
+ 1.0 1 c c_0 o_1 o 0.0000
+ 1.0 1 h c_0 o_1 h 0.0000
+ 1.0 1 h c_0 o_1 o 0.0000
+ 1.0 1 n c_1 c o_1 0.0000
+ 1.0 1 n c_1 h o_1 0.0000
+ 1.0 1 c c_1 n o_1 0.0000
+ 1.0 1 h c_1 n o_1 0.0000
+ 1.0 1 n c_1 n o_1 0.0000
+ 1.0 1 c c_1 o_1 n 0.0000
+ 1.0 1 h c_1 o_1 n 0.0000
+ 1.0 1 n c_1 o_1 n 0.0000
+ 1.0 1 cp cp c cp 0.0000
+ 1.3 1 cp cp c np 0.0000
+ 2.1 6 cp cp c_1 cp 5.9863
+ 1.0 1 c cp cp cp 0.0000
+ 1.3 1 c cp cp np 0.0000
+ 1.0 1 cp cp cp cp 0.0000
+ 1.0 1 cp cp cp h 0.0000
+ 1.0 1 cp cp cp nh 0.0000
+ 1.0 1 cp cp cp nn 0.0000
+ 1.0 1 cp cp cp o 0.0000
+ 2.2 9 cp cp cp si 0.0000
+ 1.0 1 h cp cp nh 0.0000
+ 1.0 1 h cp cp np 0.0000
+ 1.0 1 h cp cp op 0.0000
+ 1.0 1 h cp cp sp 0.0000
+ 1.0 1 cp cp h cp 0.0000
+ 1.0 1 cp cp h nh 0.0000
+ 1.0 1 cp cp h np 0.0000
+ 1.0 1 cp cp h op 0.0000
+ 1.0 1 cp cp h sp 0.0000
+ 1.0 1 nh cp h nh 0.0000
+ 1.0 1 nh cp h np 0.0000
+ 1.0 1 np cp h np 0.0000
+ 1.0 1 np cp h op 0.0000
+ 1.0 1 np cp h sp 0.0000
+ 1.0 1 cp cp nh cp 0.0000
+ 1.0 1 cp cp nh h 0.0000
+ 1.0 1 h cp nh nh 0.0000
+ 1.0 1 h cp nh np 0.0000
+ 1.0 1 cp cp nn cp 0.0000
+ 1.0 1 np cp nn np 0.0000
+ 1.3 1 c cp np cp 0.0000
+ 1.0 1 cp cp np h 0.0000
+ 1.0 1 h cp np nh 0.0000
+ 1.0 1 h cp np np 0.0000
+ 1.0 1 h cp np op 0.0000
+ 1.0 1 h cp np sp 0.0000
+ 1.0 1 nn cp np np 0.0000
+ 1.0 1 cp cp o cp 0.0000
+ 1.0 1 cp cp op h 0.0000
+ 1.0 1 h cp op np 0.0000
+ 2.2 9 cp cp si cp 0.0000
+ 1.0 1 cp cp sp h 0.0000
+ 1.0 1 h cp sp np 0.0000
+ 1.1 1 nr cr n= nr 0.0000
+ 1.1 1 n= cr nr nr 0.0000
+ 1.0 1 c n c c_1 -5.1828
+ 1.0 1 c_1 n c h* -3.4515
+ 1.0 1 c n c_1 c 3.7692
+ 1.0 1 c n c_1 h* -1.4745
+ 1.0 1 c_1 n c_1 h* 0.1551
+ 1.0 1 h* n c_1 h* -5.8763
+ 1.0 1 c n h* c_1 -4.1671
+ 1.0 1 c_1 n h* c_1 -1.1643
+ 1.0 1 c_1 n h* h* -2.9106
+ 1.0 1 c n+ c c -1.5155
+ 1.0 1 c n+ c h+ -1.9692
+ 1.0 1 h+ n+ c h+ -3.6257
+ 1.0 1 c n+ h+ c -3.8350
+ 1.0 1 c n+ h+ h+ -2.0310
+ 1.0 1 h+ n+ h+ h+ -1.9852
+ 1.0 1 c na c c 0.4261
+ 1.0 1 c na c h* -10.1289
+ 1.0 1 h* na c h* -9.9147
+ 1.0 1 c na h* c -1.6152
+ 1.0 1 c na h* h* -6.1569
+ 1.0 1 cp nh cp h* 0.0000
+ 1.0 1 h* nh cp np 0.0000
+ 1.0 1 cp nh h* cp 0.0000
+ 1.0 1 cp nh h* np 0.0000
+ 1.0 1 cp nh np h* 0.0000
+ 1.0 1 h* nn cp h* -10.3104
+ 1.0 1 cp nn h* h* -7.6640
+ 1.0 1 c+ nr c h* 0.0000
+ 1.0 1 c nr c+ h* 0.0000
+ 1.0 1 h* nr c+ h* 0.0000
+ 1.1 1 h* nr cr h* 0.0000
+ 1.0 1 c nr h* c+ 0.0000
+ 1.0 1 c+ nr h* h* 0.0000
+ 1.1 1 cr nr h* h* 0.0000
+ 3.0 10 hb ob az sz 58.8895
+ 3.0 10 az ob hb sz 44.4559
+ 3.0 10 az ob sz hb 36.0652
+ 2.2 9 c si c h 3.3827
+ 2.2 9 c si c si 1.3465
+ 2.2 9 h si c h 4.6809
+ 2.2 9 h si c si 0.0000
+ 2.2 9 si si c si -5.6849
+ 2.2 9 h si cp h 0.0000
+ 2.2 9 c si h c 2.7963
+ 2.2 9 c si h h 4.4559
+ 2.2 9 c si h si 3.4758
+ 2.2 9 cp si h h 0.0000
+ 2.2 9 h si h h 2.0665
+ 2.2 9 h si h si 0.0000
+ 2.2 9 si si h si 3.4924
+ 2.2 9 c si si c 2.0805
+ 2.2 9 c si si h -2.9623
+ 2.2 9 c si si si 4.5272
+ 2.2 9 h si si h 1.6082
+ 2.2 9 h si si si 4.1996
+ 3.0 10 osh sz oas osh 22.4453
+ 3.0 10 osh sz oas oss 27.1319
+ 3.0 10 osh sz ob osh 47.3546
+ 3.0 10 osh sz ob oss -10.2665
+ 3.0 10 oas sz osh osh -3.9259
+ 3.0 10 oas sz osh oss -23.2739
+ 3.0 10 ob sz osh osh 11.8717
+ 3.0 10 ob sz osh oss 10.9949
+ 3.0 10 osh sz osh osh 33.2746
+ 3.0 10 osh sz osh oss 58.9474
+ 3.0 10 oss sz osh oss 107.4240
+ 3.0 10 oas sz oss osh 108.6520
+ 3.0 10 ob sz oss osh 18.0153
+ 3.0 10 osh sz oss osh 72.4464
+ 3.0 10 osh sz oss oss 116.6570
+ 3.0 10 oss sz oss oss 9.0179
+
+
+#end_bond-torsion_3 cff91
+
+> E = (R - R0) * SUM { V(n) * cos[n*phi] }
+
+! LEFT RIGHT
+! ----------------------------- -----------------------------
+!Ver Ref I J K L F(1) F(2) F(3) F(1) F(2) F(3)
+!--- --- ----- ----- ----- ----- ------- ------- ------- ------- ------- -------
+ 1.0 1 c c c c -0.0732 0.0000 0.0000
+ 1.0 1 c c c c- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c c c= -0.6028 0.0000 0.7675 1.0356 0.0000 0.0506
+ 1.0 1 c c c c=1 -0.6028 0.0000 0.7675 1.0356 0.0000 0.0506
+ 1.0 1 c c c c=2 -0.6028 0.0000 0.7675 1.0356 0.0000 0.0506
+ 1.0 1 c c c c_0 -1.9497 -1.4949 0.1225 -1.5243 -1.0182 -0.2416
+ 1.0 1 c c c c_1 0.0062 -0.0002 0.0036 0.0055 0.0060 -0.0009
+ 1.0 1 c c c h 0.2486 0.2422 -0.0925 0.0814 0.0591 0.2219
+ 1.0 1 c c c n 0.0742 0.0105 0.0518 -0.0797 -0.0406 0.0255
+ 1.0 1 c c c n+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 c c c n= 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 c c c n=1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 c c c n=2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c c na 0.1032 0.5896 -0.4836 0.0579 -0.0043 -0.1906
+ 1.0 1 c c c o -0.3190 0.4411 -0.7174 1.1538 0.8409 -0.9138
+ 1.0 1 c c c s -0.1586 -0.7244 -0.2608 -0.7991 -0.9590 0.5855
+ 1.3 1 c- c c c_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c c cp 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c- c c h 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c c n 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c= c c c= 1.0166 0.0000 0.0446
+ 1.0 1 c= c c c=1 1.0166 0.0000 0.0446 1.0166 0.0000 0.0446
+ 1.0 1 c= c c c=2 1.0166 0.0000 0.0446 1.0166 0.0000 0.0446
+ 1.0 1 c= c c h 0.9856 0.0000 -0.0864 0.1954 0.0000 -0.0871
+ 1.0 1 c=1 c c c=1 1.0166 0.0000 0.0446
+ 1.0 1 c=1 c c c=2 1.0166 0.0000 0.0446 1.0166 0.0000 0.0446
+ 1.0 1 c=1 c c h 0.9856 0.0000 -0.0864 0.1954 0.0000 -0.0871
+ 1.0 1 c=2 c c c=2 1.0166 0.0000 0.0446
+ 1.0 1 c=2 c c h 0.9856 0.0000 -0.0864 0.1954 0.0000 -0.0871
+ 1.0 1 c_0 c c c_0 0.8618 0.7987 0.3127
+ 1.3 1 c_0 c c c_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c_0 c c h 0.2217 0.4780 -0.0817 0.0870 0.5143 -0.2448
+ 1.3 1 c_0 c c n 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c_0 c c o -2.5523 -5.9240 -2.4224 -4.8427 -2.4399 -3.2517
+ 1.0 1 c_1 c c c_1 0.0054 -0.0005 -0.0045
+ 1.3 1 c_1 c c cp 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c_1 c c h -0.0204 0.3628 -0.4426 -0.0097 -0.0315 -0.0755
+ 1.0 1 c_1 c c n -0.1317 -0.1114 -0.1157 -0.1685 -0.1479 -0.1479
+ 1.3 1 c_1 c c o 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c_1 c c s 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 cp c c h 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 cp c c n 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c c h 0.2130 0.3120 0.0777
+ 1.0 1 h c c n -0.0601 -0.3763 -0.1876 0.3022 0.2513 0.4641
+ 1.0 1 h c c n+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 h c c n= 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 h c c n=1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 h c c n=2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c c na 0.1960 0.7056 0.1120 0.1022 0.2090 0.6433
+ 1.0 1 h c c nr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c c o 0.9681 0.9551 0.0436 0.5903 0.6669 0.8584
+ 1.0 1 h c c s -0.1526 -0.3710 0.1048 1.0661 0.3298 0.4250
+ 1.3 1 n c c o 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n c c s 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 na c c na 0.0286 0.0566 -0.0493
+ 1.0 1 o c c o 1.0165 0.7553 -0.4609
+ 1.0 1 s c c s -0.3252 0.5008 0.5191
+ 1.0 1 c c c- o- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c c- o- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n c c- o- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c c= c 0.5103 0.0000 0.4852 0.6079 0.0000 0.1720
+ 1.0 1 c c c= c= 0.1159 0.0000 -0.8513 -0.6486 0.0000 -0.8394
+ 1.0 1 c c c= c=1 0.1159 0.0000 -0.8513 -0.6486 0.0000 -0.8394
+ 1.0 1 c c c= c=2 0.1159 0.0000 -0.8513 -0.6486 0.0000 -0.8394
+ 1.0 1 c c c= h 0.1852 0.0000 0.5906 1.1730 0.0000 -0.0582
+ 1.0 1 c= c c= c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c= c c= c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c= c c= c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c= c c= h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 1.0 1 c=1 c c= c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=1 c c= c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=1 c c= c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=1 c c= h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 1.0 1 c=2 c c= c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=2 c c= c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=2 c c= c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=2 c c= h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 1.0 1 h c c= c 0.2140 0.0000 0.2238 0.7648 0.0000 0.0440
+ 1.0 1 h c c= c= 1.9787 0.0000 -0.1805 0.8566 0.0000 0.0811
+ 1.0 1 h c c= c=1 1.9787 0.0000 -0.1805 0.8566 0.0000 0.0811
+ 1.0 1 h c c= c=2 1.9787 0.0000 -0.1805 0.8566 0.0000 0.0811
+ 1.0 1 h c c= h 0.2212 0.0000 0.0915 0.5934 0.0000 0.0424
+ 1.0 1 c c c=1 c 0.5103 0.0000 0.4852 0.6079 0.0000 0.1720
+ 1.0 1 c c c=1 c= 0.1159 0.0000 -0.8513 -0.6486 0.0000 -0.8394
+ 1.0 1 c c c=1 h 0.1852 0.0000 0.5906 1.1730 0.0000 -0.0582
+ 1.0 1 c= c c=1 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c= c c=1 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c= c c=1 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c= c c=1 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 1.0 1 c=1 c c=1 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=1 c c=1 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=1 c c=1 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=1 c c=1 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 1.0 1 c=2 c c=1 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=2 c c=1 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=2 c c=1 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=2 c c=1 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 1.0 1 h c c=1 c 0.2140 0.0000 0.2238 0.7648 0.0000 0.0440
+ 1.0 1 h c c=1 c= 1.9787 0.0000 -0.1805 0.8566 0.0000 0.0811
+ 1.0 1 h c c=1 h 0.2212 0.0000 0.0915 0.5934 0.0000 0.0424
+ 1.0 1 c c c=2 c 0.5103 0.0000 0.4852 0.6079 0.0000 0.1720
+ 1.0 1 c c c=2 c= 0.1159 0.0000 -0.8513 -0.6486 0.0000 -0.8394
+ 1.0 1 c c c=2 h 0.1852 0.0000 0.5906 1.1730 0.0000 -0.0582
+ 1.0 1 c= c c=2 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c= c c=2 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c= c c=2 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c= c c=2 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 1.0 1 c=1 c c=2 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=1 c c=2 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=1 c c=2 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=1 c c=2 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 1.0 1 c=2 c c=2 c= 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=2 c c=2 c=1 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=2 c c=2 c=2 0.0690 0.0000 -0.7138 -1.0108 0.0000 -0.0830
+ 1.0 1 c=2 c c=2 h 0.9447 0.0000 0.5852 0.3580 0.0000 0.3431
+ 1.0 1 h c c=2 c 0.2140 0.0000 0.2238 0.7648 0.0000 0.0440
+ 1.0 1 h c c=2 c= 1.9787 0.0000 -0.1805 0.8566 0.0000 0.0811
+ 1.0 1 h c c=2 h 0.2212 0.0000 0.0915 0.5934 0.0000 0.0424
+ 1.0 1 c c c_0 c -0.3054 0.5117 0.1196 0.0055 -0.2149 0.1461
+ 1.0 1 c c c_0 h 0.9339 1.2459 0.1801 -0.3141 -0.5118 0.3186
+ 1.0 1 c c c_0 o 0.8660 0.2340 0.2903 2.4127 -1.0894 0.1203
+ 1.0 1 c c c_0 o_1 1.5188 0.8667 0.2685 0.4883 -0.3582 0.3711
+ 1.0 1 h c c_0 c 1.2635 0.7301 0.4455 0.1069 -0.4290 -0.0369
+ 1.0 1 h c c_0 h 0.7414 0.6431 0.3941 0.2593 -0.0896 0.1890
+ 1.0 1 h c c_0 o 0.7800 1.3339 0.3268 0.4160 -0.1140 0.7099
+ 1.0 1 h c c_0 o_1 2.9036 0.5307 0.1439 0.0536 -0.2775 0.1463
+ 1.0 1 o c c_0 h 0.1839 0.3790 -0.4879 0.6210 -1.1876 -0.3059
+ 1.0 1 o c c_0 o_1 0.8761 0.3895 -0.5940 3.0121 -2.8208 1.7493
+ 1.0 1 c c c_1 n -0.2631 -0.0076 -0.1145 -0.2751 -0.3058 -0.1767
+ 1.0 1 c c c_1 o_1 0.2654 0.0503 0.1046 -0.2810 0.0816 -0.1522
+ 1.0 1 h c c_1 n -0.0268 0.7836 0.0035 0.3552 -0.2685 0.5834
+ 1.0 1 h c c_1 o_1 1.2143 0.2831 0.3916 -0.2298 0.0354 0.3853
+ 1.0 1 n c c_1 n -0.1738 0.0719 -0.5968 -0.0127 0.0194 -0.9570
+ 1.0 1 n c c_1 o_1 -0.0762 0.2614 0.1618 1.0046 -0.3307 0.6519
+ 1.3 1 n+ c c_1 n 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n+ c c_1 o_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c c cp cp 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c c cp np 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c cp cp 1.3997 0.7756 0.0000 -0.5835 1.1220 0.3978
+ 1.3 1 h c cp np 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c n c -0.1252 -0.1130 -0.0771 -0.0819 -0.0073 -0.0932
+ 1.0 1 c c n c_1 -0.2033 0.0035 0.0560 -0.1245 -0.9369 0.7781
+ 1.0 1 c c n h* 0.1320 0.0015 0.1324 -0.0992 -0.0727 -0.4139
+ 1.3 1 c- c n c_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c n h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c_1 c n c 0.0667 -0.0791 -0.0926 0.0182 -0.0906 -0.0804
+ 1.0 1 c_1 c n c_1 -0.1788 0.2144 -0.2799 -0.4449 0.4259 -0.4353
+ 1.0 1 c_1 c n h* 0.1092 0.3359 0.0922 0.9007 0.2966 0.0585
+ 1.0 1 h c n c -1.3479 0.7998 0.6752 0.1251 0.3245 -0.0745
+ 1.0 1 h c n c_1 -0.3667 0.8197 0.1335 0.2292 1.1732 -0.0580
+ 1.0 1 h c n h* -0.8983 0.2826 0.0881 -0.4894 0.1644 0.3105
+ 1.0 1 c c n+ c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c n+ h+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c_0 c n+ h+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c_1 c n+ h+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c n+ c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c n+ h+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 c c n= cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 h c n= cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 c c n=1 cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 h c n=1 cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 c c n=2 cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 h c n=2 cr 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c na c 0.0997 -0.0046 -0.2657 -0.0128 -0.0495 -0.1079
+ 1.0 1 c c na h* -0.9466 0.9356 -0.5542 0.0570 0.0625 0.4112
+ 1.0 1 h c na c -0.5892 0.7140 0.3505 0.0628 0.0873 -0.0882
+ 1.0 1 h c na h* -1.1685 0.9266 -0.0993 0.0850 0.3061 0.2104
+ 1.0 1 c c nr c+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c nr c+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c o c -0.2456 1.0517 -0.7795 0.4741 1.2635 0.5576
+ 1.0 1 c c o c_0 -1.2164 -0.1715 -0.0964 0.2560 0.8133 -0.0728
+ 1.0 1 c c o h* -0.5800 0.9004 0.0000 0.0000 0.5343 0.9025
+ 1.0 1 c_0 c o c_0 -0.2051 -0.3586 0.5647 0.0112 1.3736 0.6835
+ 1.0 1 h c o c -0.6054 1.3339 0.9648 -0.1620 0.1564 -1.1408
+ 1.0 1 h c o c_0 0.9589 0.9190 -0.6015 0.2282 2.2998 -0.4473
+ 1.0 1 h c o h* -1.7554 1.3145 0.2263 0.2493 0.6803 0.0000
+ 1.0 1 c c s c -0.2542 -0.7984 -0.6525 -0.3047 -0.0109 -0.3763
+ 1.0 1 c c s h 0.1026 0.0936 -0.0404 -0.3008 0.0606 0.4501
+ 1.0 1 c c s s -0.0989 -0.1548 -0.1585 0.1090 -0.4514 -0.2840
+ 1.0 1 h c s c -0.4100 0.0668 0.4187 0.2592 -0.0166 0.1306
+ 1.0 1 h c s h 0.4376 0.2001 -1.0696 0.2902 0.0695 0.1726
+ 1.0 1 h c s s 0.0538 -0.3336 0.3458 0.0339 0.7691 -0.2377
+ 1.0 1 s c s c 0.1282 -0.1663 0.1418 0.1282 -0.1663 0.1418
+ 1.0 1 s c s h -0.0051 -0.0077 0.0332 0.0477 -0.0121 0.0282
+ 1.0 1 nr c+ nr c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 nr c+ nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c= c= c -0.5916 0.0000 -0.5440
+ 1.0 1 c c= c= h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 1.0 1 h c= c= h 0.7129 0.5161 0.0000
+ 1.0 1 c c= c=1 c -0.5916 0.0000 -0.5440 -0.5916 0.0000 -0.5440
+ 1.0 1 c c= c=1 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 1.0 1 h c= c=1 c 0.5406 -0.1611 0.0000 -0.2201 0.6770 0.0000
+ 1.0 1 h c= c=1 h 0.7129 0.5161 0.0000 0.7129 0.5161 0.0000
+ 1.0 1 c c= c=2 c -0.5916 0.0000 -0.5440 -0.5916 0.0000 -0.5440
+ 1.0 1 c c= c=2 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 1.0 1 h c= c=2 c 0.5406 -0.1611 0.0000 -0.2201 0.6770 0.0000
+ 1.0 1 h c= c=2 h 0.7129 0.5161 0.0000 0.7129 0.5161 0.0000
+ 1.0 1 c c=1 c=1 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 1.0 1 c c=1 c=2 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 1.0 1 h c=1 c=2 c 0.5406 -0.1611 0.0000 -0.2201 0.6770 0.0000
+ 1.0 1 c c=2 c=2 h -0.2201 0.6770 0.0000 0.5406 -0.1611 0.0000
+ 1.0 1 c c_0 o c 0.1928 1.3187 0.8599 0.0004 -1.0975 0.4831
+ 1.0 1 c c_0 o h* -2.0773 0.1649 0.3832 -0.4052 -3.0652 1.3562
+ 1.0 1 h c_0 o c -1.6774 1.7552 0.8319 1.5173 -1.5292 1.4230
+ 1.0 1 h c_0 o h* -1.8839 1.7260 -0.3706 -0.4431 -0.0596 0.3788
+ 1.0 1 o_1 c_0 o c -4.2421 10.1102 1.6824 0.0882 -2.4309 -0.7426
+ 1.0 1 o_1 c_0 o h* -8.0054 3.3904 1.6447 1.7711 -2.7508 -2.6099
+ 1.0 1 c c_1 n c 0.0933 -0.4631 0.2883 0.2299 -0.1141 -0.1424
+ 1.0 1 c c_1 n h* -0.6979 0.5619 0.4212 0.6413 0.1676 0.1440
+ 1.0 1 h c_1 n c -0.5926 -0.0045 0.1486 -0.5331 0.5728 -0.0646
+ 1.0 1 h c_1 n c_1 0.1143 0.1475 0.1538 -0.2108 -0.4200 -0.2274
+ 1.0 1 h c_1 n h* -0.2569 0.4785 0.3565 0.0984 0.5577 0.1172
+ 1.0 1 n c_1 n h* 0.0769 -0.5294 -0.0042 -0.4880 -0.7127 0.1319
+ 1.0 1 o_1 c_1 n c 0.1226 -2.1326 0.5581 0.1598 0.7253 -0.1007
+ 1.0 1 o_1 c_1 n c_1 -0.7019 0.8305 -0.6874 0.1726 -0.4823 0.2666
+ 1.0 1 o_1 c_1 n h* -0.7604 -2.6431 1.2467 0.1214 0.1936 0.0816
+ 1.0 1 c cp cp cp 0.0000 0.2421 0.0000 0.0000 -0.6918 0.0000
+ 1.0 1 c cp cp h 0.0000 -1.7970 0.0000 0.0000 -0.4879 0.0000
+ 1.3 1 c cp cp nh 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 cp cp cp cp -0.1185 6.3204 0.0000
+ 1.0 1 cp cp cp h 0.0000 -6.8958 0.0000 0.0000 -0.4669 0.0000
+ 1.0 1 cp cp cp nh -10.5196 -4.0642 0.0000 24.2413 -1.8113 0.0000
+ 1.0 1 cp cp cp nn 0.0000 -6.5404 0.0000 0.0000 -7.3477 0.0000
+ 1.0 1 cp cp cp np 0.0000 6.2672 0.0000 0.0000 -6.2992 0.0000
+ 1.0 1 cp cp cp o 0.0000 0.2655 0.0000 0.0000 4.8905 0.0000
+ 1.0 1 cp cp cp op 0.0000 -30.5414 0.0000 0.0000 -19.3285 0.0000
+ 1.0 1 cp cp cp sp 0.0000 -30.7924 0.0000 0.0000 -24.8529 0.0000
+ 1.0 1 h cp cp h 0.0000 -0.6890 0.0000
+ 1.0 1 h cp cp nh 0.0000 -1.8838 0.0000 0.0000 -4.1027 0.0000
+ 1.0 1 h cp cp nn 0.0000 -2.6482 0.0000 0.0000 -1.6402 0.0000
+ 1.0 1 h cp cp np 0.0000 -1.2311 0.0000 0.0000 -1.9352 0.0000
+ 1.0 1 h cp cp o 0.0000 -1.5867 0.0000 0.0000 4.2641 0.0000
+ 1.0 1 h cp cp op 0.0000 -2.2536 0.0000 0.0000 -5.7259 0.0000
+ 1.0 1 h cp cp sp 0.0000 -2.0724 0.0000 0.0000 -0.6978 0.0000
+ 1.0 1 nh cp cp nh 0.0000 1.0731 0.0000
+ 1.0 1 nh cp cp np 0.0000 15.4529 0.0000 0.0000 -11.7968 0.0000
+ 1.0 1 np cp cp np 0.0000 3.3210 0.0000
+ 1.0 1 np cp cp op 0.0000 -29.5950 0.0000 0.0000 -16.2318 0.0000
+ 1.0 1 np cp cp sp 0.0000 -27.7459 0.0000 0.0000 -17.3693 0.0000
+ 1.0 1 cp cp nh cp 7.8553 -6.9841 0.0000 3.8492 -3.6376 0.0000
+ 1.0 1 cp cp nh h* 0.0000 0.5529 0.0000 0.0000 1.4827 0.0000
+ 1.1 1 cp cp nh hi 0.0000 0.5529 0.0000 0.0000 1.4827 0.0000
+ 1.0 1 cp cp nh np 0.0000 -13.9860 0.0000 0.0000 -2.4583 0.0000
+ 1.0 1 h cp nh cp 0.0000 -2.5423 0.0000 0.0000 -7.1818 0.0000
+ 1.0 1 h cp nh h* 0.0000 -1.3013 0.0000 0.0000 0.5984 0.0000
+ 1.1 1 h cp nh hi 0.0000 -1.3013 0.0000 0.0000 0.5984 0.0000
+ 1.0 1 h cp nh np 0.0000 -5.0676 0.0000 0.0000 -5.0077 0.0000
+ 1.0 1 nh cp nh cp 0.0000 -6.0684 0.0000 0.0000 -6.0684 0.0000
+ 1.0 1 nh cp nh h* 0.0000 -4.6086 0.0000 0.0000 -0.2994 0.0000
+ 1.1 1 nh cp nh hi 0.0000 -4.6086 0.0000 0.0000 -0.2994 0.0000
+ 1.0 1 np cp nh cp 0.0000 -7.2477 0.0000 0.0000 8.5617 0.0000
+ 1.0 1 np cp nh h* 0.0000 5.5530 0.0000 0.0000 -1.0387 0.0000
+ 1.1 1 np cp nh hi 0.0000 5.5530 0.0000 0.0000 -1.0387 0.0000
+ 1.0 1 cp cp nn h* 0.0000 -3.7281 0.0000 0.0000 0.2849 0.0000
+ 1.0 1 np cp nn h* 0.0000 -2.7288 0.0000 0.0000 -0.7643 0.0000
+ 1.3 1 c cp np cp 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 cp cp np cp 0.0000 1.9805 0.0000 0.0000 -6.3497 0.0000
+ 1.0 1 cp cp np nh 0.0000 -11.5905 0.0000 0.0000 0.0442 0.0000
+ 1.0 1 cp cp np np 0.0000 -6.3092 0.0000 0.0000 -7.0651 0.0000
+ 1.0 1 h cp np cp 0.0000 -1.0221 0.0000 0.0000 -4.8509 0.0000
+ 1.0 1 h cp np nh 0.0000 -2.4778 0.0000 0.0000 -2.6683 0.0000
+ 1.0 1 h cp np np 0.0000 -0.8462 0.0000 0.0000 -6.5512 0.0000
+ 1.0 1 nh cp np cp 0.0000 -8.2237 0.0000 0.0000 -13.8845 0.0000
+ 1.0 1 nn cp np cp 0.0000 -0.1327 0.0000 0.0000 -5.7542 0.0000
+ 1.0 1 np cp np cp 0.0000 -3.6669 0.0000 0.0000 -3.6669 0.0000
+ 1.0 1 op cp np cp 0.0000 0.5426 0.0000 0.0000 -32.3259 0.0000
+ 1.0 1 op cp np np 0.0000 -9.7987 0.0000 0.0000 -29.4681 0.0000
+ 1.0 1 sp cp np cp 0.0000 -4.0502 0.0000 0.0000 -43.8459 0.0000
+ 1.0 1 sp cp np np 0.0000 -2.8184 0.0000 0.0000 -37.3597 0.0000
+ 1.0 1 cp cp o h* 0.9000 -1.3456 1.1900 3.4132 0.5873 -0.1323
+ 1.0 1 cp cp op cp 0.0000 -10.4096 0.0000 0.0000 -22.4567 0.0000
+ 1.0 1 h cp op cp 0.0000 -4.3953 0.0000 0.0000 -6.7824 0.0000
+ 1.0 1 np cp op cp 0.0000 -6.6177 0.0000 0.0000 -19.1321 0.0000
+ 1.0 1 cp cp sp cp 0.0000 -9.1100 0.0000 0.0000 -18.7776 0.0000
+ 1.0 1 h cp sp cp 0.0000 -3.7649 0.0000 0.0000 -2.0958 0.0000
+ 1.0 1 np cp sp cp 0.0000 31.4198 0.0000 0.0000 -20.9832 0.0000
+ 1.1 1 nr cr n= c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 nr cr n=1 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 nr cr n=2 c 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 n= cr nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 n=1 cr nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.1 1 n=2 cr nr h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 cp nh np cp 0.0000 -6.2085 0.0000 0.0000 -3.9886 0.0000
+ 1.0 1 h* nh np cp 0.0000 5.5956 0.0000 0.0000 -5.2773 0.0000
+ 1.1 1 hi nh np cp 0.0000 5.5956 0.0000 0.0000 -5.2773 0.0000
+ 1.0 1 cp np np cp 0.0000 -7.7834 0.0000
+ 1.0 1 c s s c -0.0160 0.0642 -0.0775
+ 1.0 1 c s s h 0.2475 0.6411 0.2772 0.0526 0.2152 0.0004
+ 1.0 1 h s s h -0.0171 0.5036 0.0749
+
+
+#middle_bond-torsion_3 cff91
+
+> E = (R - R0) *
+> { F(1) * cos(phi) + F(2) * cos(2 * phi) + F(3) * cos(3 * phi) }
+
+!Ver Ref I J K L F(1) F(2) F(3)
+!--- --- ----- ----- ----- ----- ------- ------- -------
+ 1.0 1 c c c c -17.7870 -7.1877 0.0000
+ 1.0 1 c c c c- -15.9260 -5.9318 -2.5361
+ 1.0 1 c c c c= -2.2408 0.0000 -5.4870
+ 1.0 1 c c c c=1 -2.2408 0.0000 -5.4870
+ 1.0 1 c c c c=2 -2.2408 0.0000 -5.4870
+ 1.0 1 c c c c_0 -11.4432 -4.0489 -1.6027
+ 2.1 8 c c c c_1 -1.5945 0.2267 -0.6911
+ 1.0 1 c c c h -14.8790 -3.6581 -0.3138
+ 1.0 1 c c c n -4.2324 -3.3023 -1.3244
+ 1.0 1 c c c n+ -8.4467 -6.1110 -2.7141
+ 1.1 1 c c c n= 0.0000 0.0000 0.0000
+ 1.1 1 c c c n=1 0.0000 0.0000 0.0000
+ 1.1 1 c c c n=2 0.0000 0.0000 0.0000
+ 1.0 1 c c c na -15.4174 -7.3055 -1.0749
+ 1.0 1 c c c o -21.8842 -7.6764 -0.6868
+ 1.0 1 c c c s -4.2593 -5.6468 -3.3835
+ 1.3 1 c- c c c_1 0.0000 0.0000 0.0000
+ 1.3 1 c- c c cp 0.0000 0.0000 0.0000
+ 1.0 1 c- c c h -13.6420 -0.8843 0.2118
+ 1.3 1 c- c c n 0.0000 0.0000 0.0000
+ 1.0 1 c= c c c= -0.3546 0.0000 0.0483
+ 1.0 1 c= c c c=1 -0.3546 0.0000 0.0483
+ 1.0 1 c= c c c=2 -0.3546 0.0000 0.0483
+ 1.0 1 c= c c h -5.0113 0.0000 0.5895
+ 1.0 1 c=1 c c c=1 -0.3546 0.0000 0.0483
+ 1.0 1 c=1 c c c=2 -0.3546 0.0000 0.0483
+ 1.0 1 c=1 c c h -5.0113 0.0000 0.5895
+ 1.0 1 c=2 c c c=2 -0.3546 0.0000 0.0483
+ 1.0 1 c=2 c c h -5.0113 0.0000 0.5895
+ 1.0 1 c_0 c c c_0 -1.9504 -1.9061 1.9001
+ 1.3 1 c_0 c c c_1 0.0000 0.0000 0.0000
+ 1.0 1 c_0 c c h -10.0179 -2.8145 0.1665
+ 1.3 1 c_0 c c n 0.0000 0.0000 0.0000
+ 1.0 1 c_0 c c o -13.0271 -8.7622 -5.6084
+ 1.0 1 c_1 c c c_1 1.4759 0.5852 -0.1863
+ 1.3 1 c_1 c c cp 0.0000 0.0000 0.0000
+ 2.1 8 c_1 c c h -3.5039 1.2458 -0.7610
+ 1.0 1 c_1 c c n -1.2216 -4.0706 -3.3973
+ 1.3 1 c_1 c c o 0.0000 0.0000 0.0000
+ 1.3 1 c_1 c c s 0.0000 0.0000 0.0000
+ 1.3 1 cp c c h 0.0000 0.0000 0.0000
+ 1.3 1 cp c c n 0.0000 0.0000 0.0000
+ 1.0 1 h c c h -14.2610 -0.5322 -0.4864
+ 1.0 1 h c c n -4.1028 -0.5941 -0.0470
+ 1.0 1 h c c n+ -9.8826 -3.7138 -0.1022
+ 1.1 1 h c c n= -3.5152 -2.2975 -1.2765
+ 1.1 1 h c c n=1 -3.5152 -2.2975 -1.2765
+ 1.1 1 h c c n=2 -3.5152 -2.2975 -1.2765
+ 1.0 1 h c c na -10.4959 -0.7647 -0.0545
+ 1.0 1 h c c nr -3.5152 -2.2975 -1.2765
+ 1.0 1 h c c o -16.7975 -1.2296 -0.2750
+ 1.0 1 h c c s -5.7537 -2.0104 0.2813
+ 1.3 1 n c c o 0.0000 0.0000 0.0000
+ 1.3 1 n c c s 0.0000 0.0000 0.0000
+ 1.0 1 na c c na -3.3497 1.0143 -3.0062
+ 1.0 1 o c c o -17.2585 -3.6157 -0.8364
+ 1.0 1 s c c s 1.7001 -3.3479 -0.8067
+ 1.0 1 c c c- o- 0.6798 0.9388 -1.8478
+ 1.0 1 h c c- o- -5.7009 0.7758 -0.4090
+ 1.3 1 n c c- o- 0.0000 0.0000 0.0000
+ 1.0 1 c c c= c 0.5332 0.0000 -3.2287
+ 1.0 1 c c c= c= -2.1444 0.0000 -0.1038
+ 1.0 1 c c c= c=1 -2.1444 0.0000 -0.1038
+ 1.0 1 c c c= c=2 -2.1444 0.0000 -0.1038
+ 1.0 1 c c c= h 1.2814 0.0000 -1.1022
+ 1.0 1 c= c c= c= -1.6681 0.0000 -0.9939
+ 1.0 1 c= c c= c=1 -1.6681 0.0000 -0.9939
+ 1.0 1 c= c c= c=2 -1.6681 0.0000 -0.9939
+ 1.0 1 c= c c= h 2.9454 0.0000 -0.2084
+ 1.0 1 c=1 c c= c= -1.6681 0.0000 -0.9939
+ 1.0 1 c=1 c c= c=1 -1.6681 0.0000 -0.9939
+ 1.0 1 c=1 c c= c=2 -1.6681 0.0000 -0.9939
+ 1.0 1 c=1 c c= h 2.9454 0.0000 -0.2084
+ 1.0 1 c=2 c c= c= -1.6681 0.0000 -0.9939
+ 1.0 1 c=2 c c= c=1 -1.6681 0.0000 -0.9939
+ 1.0 1 c=2 c c= c=2 -1.6681 0.0000 -0.9939
+ 1.0 1 c=2 c c= h 2.9454 0.0000 -0.2084
+ 1.0 1 h c c= c 1.8427 0.0000 -0.2743
+ 1.0 1 h c c= c= -1.5727 0.0000 0.6565
+ 1.0 1 h c c= c=1 -1.5727 0.0000 0.6565
+ 1.0 1 h c c= c=2 -1.5727 0.0000 0.6565
+ 1.0 1 h c c= h 1.8730 0.0000 -0.3702
+ 1.0 1 c c c=1 c 0.5332 0.0000 -3.2287
+ 1.0 1 c c c=1 c= -2.1444 0.0000 -0.1038
+ 1.0 1 c c c=1 c=1 -2.1444 0.0000 -0.1038
+ 1.0 1 c c c=1 c=2 -2.1444 0.0000 -0.1038
+ 1.0 1 c c c=1 h 1.2814 0.0000 -1.1022
+ 1.0 1 c= c c=1 c= -1.6681 0.0000 -0.9939
+ 1.0 1 c= c c=1 c=1 -1.6681 0.0000 -0.9939
+ 1.0 1 c= c c=1 c=2 -1.6681 0.0000 -0.9939
+ 1.0 1 c= c c=1 h 2.9454 0.0000 -0.2084
+ 1.0 1 c=1 c c=1 c= -1.6681 0.0000 -0.9939
+ 1.0 1 c=1 c c=1 c=1 -1.6681 0.0000 -0.9939
+ 1.0 1 c=1 c c=1 c=2 -1.6681 0.0000 -0.9939
+ 1.0 1 c=1 c c=1 h 2.9454 0.0000 -0.2084
+ 1.0 1 c=2 c c=1 c= -1.6681 0.0000 -0.9939
+ 1.0 1 c=2 c c=1 c=1 -1.6681 0.0000 -0.9939
+ 1.0 1 c=2 c c=1 c=2 -1.6681 0.0000 -0.9939
+ 1.0 1 c=2 c c=1 h 2.9454 0.0000 -0.2084
+ 1.0 1 h c c=1 c 1.8427 0.0000 -0.2743
+ 1.0 1 h c c=1 c= -1.5727 0.0000 0.6565
+ 1.0 1 h c c=1 c=1 -1.5727 0.0000 0.6565
+ 1.0 1 h c c=1 c=2 -1.5727 0.0000 0.6565
+ 1.0 1 h c c=1 h 1.8730 0.0000 -0.3702
+ 1.0 1 c c c=2 c 0.5332 0.0000 -3.2287
+ 1.0 1 c c c=2 c= -2.1444 0.0000 -0.1038
+ 1.0 1 c c c=2 c=1 -2.1444 0.0000 -0.1038
+ 1.0 1 c c c=2 c=2 -2.1444 0.0000 -0.1038
+ 1.0 1 c c c=2 h 1.2814 0.0000 -1.1022
+ 1.0 1 c= c c=2 c= -1.6681 0.0000 -0.9939
+ 1.0 1 c= c c=2 c=1 -1.6681 0.0000 -0.9939
+ 1.0 1 c= c c=2 c=2 -1.6681 0.0000 -0.9939
+ 1.0 1 c= c c=2 h 2.9454 0.0000 -0.2084
+ 1.0 1 c=1 c c=2 c= -1.6681 0.0000 -0.9939
+ 1.0 1 c=1 c c=2 c=1 -1.6681 0.0000 -0.9939
+ 1.0 1 c=1 c c=2 c=2 -1.6681 0.0000 -0.9939
+ 1.0 1 c=1 c c=2 h 2.9454 0.0000 -0.2084
+ 1.0 1 c=2 c c=2 c= -1.6681 0.0000 -0.9939
+ 1.0 1 c=2 c c=2 c=1 -1.6681 0.0000 -0.9939
+ 1.0 1 c=2 c c=2 c=2 -1.6681 0.0000 -0.9939
+ 1.0 1 c=2 c c=2 h 2.9454 0.0000 -0.2084
+ 1.0 1 h c c=2 c 1.8427 0.0000 -0.2743
+ 1.0 1 h c c=2 c= -1.5727 0.0000 0.6565
+ 1.0 1 h c c=2 c=1 -1.5727 0.0000 0.6565
+ 1.0 1 h c c=2 c=2 -1.5727 0.0000 0.6565
+ 1.0 1 h c c=2 h 1.8730 0.0000 -0.3702
+ 1.0 1 c c c_0 c -23.1690 -7.7081 -2.7448
+ 1.0 1 c c c_0 h -21.9419 -7.2083 -2.8155
+ 1.0 1 c c c_0 o_1 -24.0688 11.6419 -2.4192
+ 1.0 1 h c c_0 c -16.9266 -6.1382 0.9282
+ 1.0 1 h c c_0 h -15.5201 -4.9674 0.8183
+ 1.0 1 h c c_0 o_1 -17.9965 9.9861 1.0989
+ 1.0 1 o c c_0 h -0.5846 2.8755 3.8323
+ 1.0 1 o c c_0 o_1 -5.3484 7.4360 -6.7454
+ 2.1 8 c c c_1 n_2 -2.0061 -1.5432 1.9095
+ 2.1 8 c c c_1 o_1 0.3388 -0.1096 0.1219
+ 2.1 8 c c c_1 o_2 -17.3280 -5.7900 -3.2114
+ 2.1 8 h c c_1 n_2 0.2296 -0.4149 0.8003
+ 2.1 8 h c c_1 o_1 0.2359 0.9139 0.9594
+ 2.1 8 h c c_1 o_2 -13.7686 -2.5959 1.1934
+ 1.0 1 n c c_1 n -4.3657 -2.2332 -5.4979
+ 1.0 1 n c c_1 o_1 -4.5035 4.8982 0.4274
+ 1.3 1 n+ c c_1 n 0.0000 0.0000 0.0000
+ 1.3 1 n+ c c_1 o_1 0.0000 0.0000 0.0000
+ 1.3 1 c c cp cp 0.0000 0.0000 0.0000
+ 1.3 1 c c cp np 0.0000 0.0000 0.0000
+ 1.0 1 h c cp cp -5.5679 1.4083 0.3010
+ 1.3 1 h c cp np 0.0000 0.0000 0.0000
+ 1.0 1 c c n c -4.7070 -1.0555 -2.9844
+ 1.0 1 c c n c_1 -3.9501 -0.4002 -0.6798
+ 1.0 1 c c n h* -3.5406 -3.3866 0.0352
+ 1.3 1 c- c n c_1 0.0000 0.0000 0.0000
+ 1.3 1 c- c n h* 0.0000 0.0000 0.0000
+ 1.0 1 c_1 c n c 1.2610 -3.5631 -3.0902
+ 1.0 1 c_1 c n c_1 -4.7439 -5.1049 -5.4294
+ 1.0 1 c_1 c n h* -1.4517 4.0426 -0.5276
+ 1.0 1 h c n c -2.2930 0.3254 0.9658
+ 1.0 1 h c n c_1 -0.6899 -2.2646 1.1579
+ 1.0 1 h c n h* -1.1752 2.8058 0.8083
+ 1.0 1 c c n+ c 6.2579 -5.0818 6.0511
+ 1.0 1 c c n+ h+ -0.5922 -1.2262 0.4264
+ 1.3 1 c_0 c n+ h+ 0.0000 0.0000 0.0000
+ 1.3 1 c_1 c n+ h+ 0.0000 0.0000 0.0000
+ 1.0 1 h c n+ c 0.7630 2.6303 -2.5974
+ 1.0 1 h c n+ h+ -0.6980 0.8910 -0.1895
+ 1.1 1 c c n= cr -1.4041 0.0273 3.4079
+ 1.1 1 h c n= c= 5.1711 0.3481 -1.7808
+ 1.1 1 c c n=1 cr -1.4041 0.0273 3.4079
+ 1.1 1 h c n=1 c= 5.1711 0.3481 -1.7808
+ 1.1 1 c c n=2 cr -1.4041 0.0273 3.4079
+ 1.1 1 h c n=2 c= 5.1711 0.3481 -1.7808
+ 1.0 1 c c na c -8.0036 -7.7321 -3.0640
+ 1.0 1 c c na h* -2.2208 0.5479 -0.3527
+ 1.0 1 h c na c -6.4529 -6.8122 -1.1632
+ 1.0 1 h c na h* -3.4611 1.6996 -0.6007
+ 1.0 1 c c nr c+ -1.4041 0.0273 3.4079
+ 1.0 1 c c nr h* -2.3795 2.5294 -0.7295
+ 1.0 1 h c nr c+ 5.1711 0.3481 -1.7808
+ 1.0 1 h c nr h* -0.4138 -2.8616 0.0071
+ 1.0 1 c c o c -5.9288 -2.7007 -0.3175
+ 1.0 1 c c o c_0 9.9416 2.6421 2.2333
+ 1.0 1 c c o h* 1.2472 0.0000 0.7485
+ 1.0 1 c_0 c o c_0 0.2579 3.9647 2.0421
+ 1.0 1 h c o c -6.8007 -4.6546 -1.4101
+ 1.0 1 h c o c_0 7.7147 4.2557 -1.0118
+ 1.0 1 h c o h* 0.0000 0.9241 -0.5889
+ 2.1 6 c c o_2 c_1 -5.4350 0.0000 0.0000
+ 1.0 1 c c s c -2.5172 -2.0107 -2.8547
+ 1.0 1 c c s h 0.5020 -1.0204 -0.9177
+ 1.0 1 c c s s -0.3126 -0.7601 -0.9170
+ 1.0 1 h c s c -0.6955 -2.9427 -1.2372
+ 1.0 1 h c s h -0.3729 0.5373 -0.7035
+ 1.0 1 h c s s -0.2656 -2.0225 -0.6959
+ 1.0 1 s c s c 1.0855 -2.3500 0.7030
+ 1.0 1 s c s h 0.4519 -0.5196 0.2959
+ 2.2 9 h c si c 0.0000 0.0000 0.0000
+ 2.2 9 h c si h 0.0000 0.0000 -0.5906
+ 2.2 9 h c si si 0.0000 0.0000 -0.1909
+ 1.0 1 nr c+ nr c -0.1366 8.6368 -3.9926
+ 1.0 1 nr c+ nr h* 1.5296 4.9027 1.1466
+ 1.0 1 c c= c= c -0.1899 5.5768 0.0000
+ 1.0 1 c c= c= h 1.1220 6.0669 0.0000
+ 1.0 1 h c= c= h 0.8558 6.3911 0.0000
+ 1.0 1 c c= c=1 c -0.1899 5.5768 0.0000
+ 1.0 1 c c= c=1 h 1.1220 6.0669 0.0000
+ 1.0 1 h c= c=1 c 1.1220 6.0669 0.0000
+ 1.0 1 h c= c=1 h 0.8558 6.3911 0.0000
+ 1.0 1 c c= c=2 c -0.1899 5.5768 0.0000
+ 1.0 1 c c= c=2 h 1.1220 6.0669 0.0000
+ 1.0 1 h c= c=2 c 1.1220 6.0669 0.0000
+ 1.0 1 h c= c=2 h 0.8558 6.3911 0.0000
+ 1.0 1 c c=1 c=1 h 1.1220 6.0669 0.0000
+ 1.0 1 c c=1 c=2 h 1.1220 6.0669 0.0000
+ 1.0 1 h c=1 c=2 c 1.1220 6.0669 0.0000
+ 1.0 1 c c=2 c=2 h 1.1220 6.0669 0.0000
+ 1.0 1 o_1 c_0 o c 0.4552 7.3091 0.2842
+ 1.0 1 o_1 c_0 o h* 5.2742 3.3850 -7.9263
+ 2.1 8 n_2 c_1 cp cp 0.0000 2.4002 0.0000
+ 2.1 6 o_1 c_1 cp cp 0.0000 2.4002 0.0000
+ 2.1 6 o_2 c_1 cp cp 0.0000 2.4002 0.0000
+ 1.0 1 h c_1 n c_1 -0.4825 -0.0591 -0.8262
+ 1.0 1 n c_1 n h* -1.2443 -4.4363 2.2089
+ 1.0 1 o_1 c_1 n c -8.8301 14.3079 -1.7716
+ 1.0 1 o_1 c_1 n c_1 -0.1118 -1.1990 0.6784
+ 1.0 1 o_1 c_1 n h* -0.9084 6.1447 -0.4852
+ 2.1 8 c c_1 n_2 c -9.2512 3.4093 -2.8365
+ 2.1 8 c c_1 n_2 hn2 -0.5298 4.7356 -1.0637
+ 2.1 8 h c_1 n_2 c -11.7253 3.2050 -3.0119
+ 2.1 8 h c_1 n_2 hn2 -0.9656 5.2038 -2.3087
+ 2.1 8 c c_1 o_2 c 1.3445 3.5515 -4.9202
+ 2.1 8 c c_1 o_2 ho2 2.1452 0.5482 -2.3693
+ 2.1 8 h c_1 o_2 c 0.1687 3.5065 -2.0722
+ 2.1 8 h c_1 o_2 ho2 -1.8538 2.5766 -0.6194
+ 2.1 6 o_1 c_1 o_2 c 4.2600 0.0000 0.0000
+ 1.0 6 o_1 c_1 o_2 c 0.0000 4.9491 0.0000
+ 2.1 6 o_1 c_1 o_2 cp 4.2600 0.0000 0.0000
+ 2.1 6 o_1 c_1 o_2 ho2 4.2600 0.0000 0.0000
+ 2.1 7 n_2 c_2 n_2 c 0.0000 6.3286 0.0000
+ 2.1 7 n_2 c_2 n_2 cp 0.0000 6.3286 0.0000
+ 2.1 7 n_2 c_2 n_2 ho2 0.0000 6.3286 0.0000
+ 2.1 7 o_1 c_2 n_2 c 0.0000 4.4700 0.0000
+ 2.1 7 o_1 c_2 n_2 cp 0.0000 4.4700 0.0000
+ 2.1 7 o_1 c_2 n_2 hn2 0.0000 4.4700 0.0000
+ 2.1 7 o_2 c_2 n_2 c 0.0000 6.3163 0.0000
+ 2.1 7 o_2 c_2 n_2 cp 0.0000 6.3163 0.0000
+ 2.1 7 o_2 c_2 n_2 hn2 0.0000 6.3163 0.0000
+ 2.1 7 n_2 c_2 o_2 c 0.0000 6.3562 0.0000
+ 2.1 7 n_2 c_2 o_2 cp 0.0000 6.3562 0.0000
+ 2.1 7 n_2 c_2 o_2 ho2 0.0000 6.3562 0.0000
+ 2.1 7 o_1 c_2 o_2 c 0.0000 4.7148 0.0000
+ 2.1 7 o_1 c_2 o_2 cp 0.0000 4.7148 0.0000
+ 2.1 7 o_1 c_2 o_2 ho2 0.0000 4.7148 0.0000
+ 2.1 7 o_2 c_2 o_2 c 0.0000 6.4376 0.0000
+ 2.1 7 o_2 c_2 o_2 cp 0.0000 6.4376 0.0000
+ 2.1 7 o_2 c_2 o_2 ho2 0.0000 6.4376 0.0000
+ 1.0 1 c cp cp cp 0.0000 9.1792 0.0000
+ 1.0 1 c cp cp h 0.0000 3.9421 0.0000
+ 1.3 1 c cp cp nh 0.0000 0.0000 0.0000
+ 2.1 6 c_1 cp cp cp 0.0000 3.8762 0.0000
+ 1.0 1 cp cp cp cp 27.5989 -2.3120 0.0000
+ 1.0 1 cp cp cp h 0.0000 -1.1521 0.0000
+ 2.1 7 cp cp cp n_2 0.0000 5.2012 0.0000
+ 1.0 1 cp cp cp nh 26.8015 0.9613 0.0000
+ 1.0 1 cp cp cp nn 0.0000 -0.5693 0.0000
+ 1.0 1 cp cp cp np 0.0000 11.1878 0.0000
+ 1.0 1 cp cp cp o 0.0000 4.8255 0.0000
+ 1.0 6 cp cp cp o_2 0.0000 3.8762 0.0000
+ 1.0 1 cp cp cp op 0.0000 26.4272 0.0000
+ 2.2 9 cp cp cp si 0.0000 11.1576 0.0000
+ 1.0 1 cp cp cp sp 0.0000 13.4627 0.0000
+ 1.0 1 h cp cp h 0.0000 4.8228 0.0000
+ 2.1 7 h cp cp n_2 0.0000 5.2012 0.0000
+ 1.0 1 h cp cp nh 0.0000 6.3385 0.0000
+ 1.0 1 h cp cp nn 0.0000 2.2883 0.0000
+ 1.0 1 h cp cp np 0.0000 8.6527 0.0000
+ 1.0 1 h cp cp o 0.0000 5.5432 0.0000
+ 1.0 6 h cp cp o_2 0.0000 3.8762 0.0000
+ 1.0 1 h cp cp op 0.0000 5.2006 0.0000
+ 2.0 5 h cp cp oz 0.0000 3.8762 0.0000
+ 2.2 9 h cp cp si 0.0000 6.2168 0.0000
+ 1.0 1 h cp cp sp 0.0000 8.4859 0.0000
+ 1.0 1 nh cp cp nh 0.0000 36.5009 0.0000
+ 1.0 1 nh cp cp np 0.0000 12.7701 0.0000
+ 1.0 1 np cp cp np 0.0000 1.2134 0.0000
+ 1.0 1 np cp cp op 0.0000 -0.4207 0.0000
+ 1.0 1 np cp cp sp 0.0000 -10.5789 0.0000
+ 2.1 7 cp cp n_2 c_2 0.0000 4.9027 0.0000
+ 2.1 7 cp cp n_2 hn2 0.0000 2.4730 0.0000
+ 1.0 1 cp cp nh cp -16.9541 6.1871 0.0000
+ 1.0 1 cp cp nh h* 0.0000 4.9809 0.0000
+ 1.1 1 cp cp nh hi 0.0000 4.9809 0.0000
+ 1.0 1 cp cp nh np 0.0000 4.1700 0.0000
+ 1.0 1 h cp nh cp 0.0000 1.1896 0.0000
+ 1.0 1 h cp nh h* 0.0000 4.1961 0.0000
+ 1.1 1 h cp nh hi 0.0000 4.1961 0.0000
+ 1.0 1 h cp nh np 0.0000 -1.5328 0.0000
+ 1.0 1 nh cp nh cp 0.0000 29.4327 0.0000
+ 1.0 1 nh cp nh h* 0.0000 2.6467 0.0000
+ 1.1 1 nh cp nh hi 0.0000 2.6467 0.0000
+ 1.0 1 np cp nh cp 0.0000 21.5895 0.0000
+ 1.0 1 np cp nh h* 0.0000 0.1319 0.0000
+ 1.1 1 np cp nh hi 0.0000 0.1319 0.0000
+ 1.0 1 cp cp nn h* 0.0000 3.2085 0.0000
+ 1.0 1 np cp nn h* 0.0000 3.3310 0.0000
+ 1.3 1 c cp np cp 0.0000 0.0000 0.0000
+ 1.0 1 cp cp np cp 0.0000 6.8193 0.0000
+ 1.0 1 cp cp np nh 0.0000 40.5311 0.0000
+ 1.0 1 cp cp np np 0.0000 6.2778 0.0000
+ 1.0 1 h cp np cp 0.0000 5.5902 0.0000
+ 1.0 1 h cp np nh 0.0000 16.9791 0.0000
+ 1.0 1 h cp np np 0.0000 6.1422 0.0000
+ 1.0 1 nh cp np cp 0.0000 27.4546 0.0000
+ 1.0 1 nn cp np cp 0.0000 1.2696 0.0000
+ 1.0 1 np cp np cp 0.0000 3.5336 0.0000
+ 1.0 1 op cp np cp 0.0000 32.9586 0.0000
+ 1.0 1 op cp np np 0.0000 16.6039 0.0000
+ 1.0 1 sp cp np cp 0.0000 -0.0974 0.0000
+ 1.0 1 sp cp np np 0.0000 -13.8045 0.0000
+ 1.0 1 cp cp o h* 1.1580 3.2697 3.5132
+ 2.1 6 cp cp o_2 c_1 0.0000 2.2650 0.0000
+ 2.1 7 cp cp o_2 c_2 0.0000 2.2650 0.0000
+ 1.0 1 cp cp op cp 0.0000 42.2966 0.0000
+ 1.0 1 h cp op cp 0.0000 3.1100 0.0000
+ 1.0 1 np cp op cp 0.0000 32.4564 0.0000
+ 2.0 5 cp cp oz cz 0.0000 2.2650 0.0000
+ 2.2 9 cp cp si h 0.0000 0.0000 -0.3146
+ 1.0 1 cp cp sp cp 0.0000 46.3218 0.0000
+ 1.0 1 h cp sp cp 0.0000 1.5349 0.0000
+ 1.0 1 np cp sp cp 0.0000 54.8848 0.0000
+ 1.1 1 nr cr n= c -0.1366 8.6368 -3.9926
+ 1.1 1 nr cr n=1 c -0.1366 8.6368 -3.9926
+ 1.1 1 nr cr n=2 c -0.1366 8.6368 -3.9926
+ 1.1 1 n= cr nr h* 1.5296 4.9027 1.1466
+ 1.1 1 n=1 cr nr h* 1.5296 4.9027 1.1466
+ 1.1 1 n=2 cr nr h* 1.5296 4.9027 1.1466
+ 2.0 5 oo cz oz c 0.0000 4.6748 0.0000
+ 2.0 5 oo cz oz cp 0.0000 4.9491 0.0000
+ 2.0 5 oo cz oz ho2 0.0000 4.6500 0.0000
+ 2.0 5 oz cz oz c 0.0000 6.4736 0.0000
+ 2.0 5 oz cz oz cp 0.0000 6.3562 0.0000
+ 2.0 5 oz cz oz ho2 0.0000 6.4376 0.0000
+ 1.0 1 cp nh np cp 0.0000 3.9201 0.0000
+ 1.0 1 h* nh np cp 0.0000 10.0181 0.0000
+ 1.1 1 hi nh np cp 0.0000 10.0181 0.0000
+ 1.0 1 cp np np cp 0.0000 13.3902 0.0000
+ 1.0 1 c s s c -0.2540 -4.3405 -0.5273
+ 1.0 1 c s s h -0.3517 -5.2531 -0.0775
+ 1.0 1 h s s h -0.7575 -5.2517 -0.6380
+ 2.2 9 c si si h 0.0000 0.0000 -0.6941
+ 2.2 9 h si si h 0.0000 0.0000 -0.6302
+ 2.2 9 h si si si 0.0000 0.0000 0.0000
+
+
+#angle-torsion_3 cff91
+
+> E = (Theta - Theta0) *
+> { F(1) * cos(phi) + F(2) * cos(2 * phi) + F(3) * cos(3 * phi) }
+
+! LEFT RIGHT
+! ----------------------------- -----------------------------
+!Ver Ref I J K L F(1) F(2) F(3) F(1) F(2) F(3)
+!--- --- ----- ----- ----- ----- ------- ------- ------- ------- ------- -------
+ 1.0 1 c c c c 0.3886 -0.3139 0.1389
+ 1.0 1 c c c c- 16.6010 0.1267 3.1777 -0.7732 2.4204 -1.5184
+ 1.0 1 c c c c= 2.4027 0.0000 0.0000 1.1559 0.0000 -1.2900
+ 1.0 1 c c c c=1 2.4027 0.0000 0.0000 1.1559 0.0000 -1.2900
+ 1.0 1 c c c c=2 2.4027 0.0000 0.0000 1.1559 0.0000 -1.2900
+ 1.0 1 c c c c_0 -0.7456 -0.9583 0.8454 -2.5845 -1.2743 1.7141
+ 1.0 1 c c c c_1 -0.2607 0.3203 -0.2283 0.0515 -0.0674 -0.0474
+ 1.0 1 c c c h -0.2454 0.0000 -0.1136 0.3113 0.4516 -0.1988
+ 1.0 1 c c c n -0.5501 -1.6982 0.2485 0.2039 0.1602 -0.7946
+ 1.0 1 c c c n+ -0.9595 0.7467 -1.9504 -0.1098 -0.2380 0.1934
+ 1.1 1 c c c n= -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 1.1 1 c c c n=1 -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 1.1 1 c c c n=2 -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 1.0 1 c c c na -1.9225 -1.3450 0.2210 2.0125 0.9440 -2.7612
+ 1.0 1 c c c o 0.5623 -0.3041 -0.4015 0.9672 -0.7566 -1.2331
+ 1.0 1 c c c s -2.0927 -0.1498 -1.7848 1.1179 0.3638 0.9423
+ 1.3 1 c- c c c_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c c cp 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c- c c h 1.6575 -0.4577 0.3610 3.9318 2.2235 0.3670
+ 1.3 1 c- c c n 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c= c c c= -0.4053 0.0000 0.4300
+ 1.0 1 c= c c c=1 -0.4053 0.0000 0.4300 -0.4053 0.0000 0.4300
+ 1.0 1 c= c c c=2 -0.4053 0.0000 0.4300 -0.4053 0.0000 0.4300
+ 1.0 1 c= c c h 0.6083 0.0000 0.0000 -0.8714 0.0000 0.0000
+ 1.0 1 c=1 c c c=1 -0.4053 0.0000 0.4300
+ 1.0 1 c=1 c c c=2 -0.4053 0.0000 0.4300 -0.4053 0.0000 0.4300
+ 1.0 1 c=1 c c h 0.6083 0.0000 0.0000 -0.8714 0.0000 0.0000
+ 1.0 1 c=2 c c c=2 -0.4053 0.0000 0.4300
+ 1.0 1 c=2 c c h 0.6083 0.0000 0.0000 -0.8714 0.0000 0.0000
+ 1.0 1 c_0 c c c_0 -1.2721 1.3999 2.1186
+ 1.3 1 c_0 c c c_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c_0 c c h -1.6930 -0.6252 -0.2148 0.0492 0.7162 -0.2277
+ 1.3 1 c_0 c c n 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c_0 c c o -1.5208 -0.2517 -1.4935 0.1954 2.8739 0.2244
+ 1.0 1 c_1 c c c_1 3.4514 1.2507 -0.0448
+ 1.3 1 c_1 c c cp 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c_1 c c h -0.7466 -0.9448 -0.6321 0.0162 1.4211 -1.4092
+ 1.0 1 c_1 c c n -1.3514 -2.3795 -0.2640 -1.5812 -0.8296 -1.6076
+ 1.3 1 c_1 c c o 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c_1 c c s 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 cp c c h 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 cp c c n 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c c h -0.8085 0.5569 -0.2466
+ 1.0 1 h c c n -1.2469 1.6933 -1.2081 -1.9820 0.2325 -0.3928
+ 1.0 1 h c c n+ -3.4109 0.6476 -0.9584 -2.8694 1.6172 -1.4627
+ 1.1 1 h c c n= -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 1.1 1 h c c n=1 -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 1.1 1 h c c n=2 -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 1.0 1 h c c na 0.5111 1.6328 -1.0155 -1.1075 0.2820 0.8318
+ 1.0 1 h c c nr -2.0979 1.8611 -1.6888 -0.1216 1.8930 -0.5667
+ 1.0 1 h c c o 2.3668 2.4920 -1.0122 -0.1892 0.4918 0.7273
+ 1.0 1 h c c s -2.0382 0.2102 -0.9023 0.3322 -0.0519 -0.3553
+ 1.3 1 n c c o 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n c c s 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 na c c na 1.3673 0.4528 -2.7700
+ 1.0 1 o c c o 0.5511 0.9737 -0.6673
+ 1.0 1 s c c s -5.0565 -0.6355 0.6015
+ 1.0 1 c c c- o- 13.2220 1.3271 -0.3941 2.9333 2.2593 -0.5573
+ 1.0 1 h c c- o- 12.0720 0.2388 -0.0426 -4.2825 1.1254 -0.1481
+ 1.3 1 n c c- o- 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c c= c 2.0729 0.0000 0.0000 -1.9373 0.0000 0.0000
+ 1.0 1 c c c= c= -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 1.0 1 c c c= c=1 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 1.0 1 c c c= c=2 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 1.0 1 c c c= h 0.5311 0.0000 0.0000 -0.9172 0.0000 0.0000
+ 1.0 1 c= c c= c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c= c c= c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c= c c= c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c= c c= h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 1.0 1 c=1 c c= c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=1 c c= c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=1 c c= c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=1 c c= h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 1.0 1 c=2 c c= c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=2 c c= c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=2 c c= c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=2 c c= h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 1.0 1 h c c= c 0.9753 0.0000 0.0000 0.7525 0.0000 0.0000
+ 1.0 1 h c c= c= 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 1.0 1 h c c= c=1 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 1.0 1 h c c= c=2 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 1.0 1 h c c= h 1.9061 0.0000 0.0000 -0.0677 0.0000 0.0000
+ 1.0 1 c c c=1 c 2.0729 0.0000 0.0000 -1.9373 0.0000 0.0000
+ 1.0 1 c c c=1 c= -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 1.0 1 c c c=1 c=1 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 1.0 1 c c c=1 c=2 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 1.0 1 c c c=1 h 0.5311 0.0000 0.0000 -0.9172 0.0000 0.0000
+ 1.0 1 c= c c=1 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c= c c=1 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c= c c=1 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c= c c=1 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 1.0 1 c=1 c c=1 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=1 c c=1 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=1 c c=1 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=1 c c=1 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 1.0 1 c=2 c c=1 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=2 c c=1 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=2 c c=1 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=2 c c=1 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 1.0 1 h c c=1 c 0.9753 0.0000 0.0000 0.7525 0.0000 0.0000
+ 1.0 1 h c c=1 c= 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 1.0 1 h c c=1 c=1 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 1.0 1 h c c=1 c=2 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 1.0 1 h c c=1 h 1.9061 0.0000 0.0000 -0.0677 0.0000 0.0000
+ 1.0 1 c c c=2 c 2.0729 0.0000 0.0000 -1.9373 0.0000 0.0000
+ 1.0 1 c c c=2 c= -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 1.0 1 c c c=2 c=1 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 1.0 1 c c c=2 c=2 -0.2409 0.0000 0.3870 -0.1646 0.0000 0.0000
+ 1.0 1 c c c=2 h 0.5311 0.0000 0.0000 -0.9172 0.0000 0.0000
+ 1.0 1 c= c c=2 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c= c c=2 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c= c c=2 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c= c c=2 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 1.0 1 c=1 c c=2 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=1 c c=2 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=1 c c=2 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=1 c c=2 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 1.0 1 c=2 c c=2 c= 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=2 c c=2 c=1 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=2 c c=2 c=2 1.3509 0.0000 -0.8600 -0.2444 0.0000 1.2900
+ 1.0 1 c=2 c c=2 h 4.0231 0.0000 0.0000 0.1654 0.0000 0.0000
+ 1.0 1 h c c=2 c 0.9753 0.0000 0.0000 0.7525 0.0000 0.0000
+ 1.0 1 h c c=2 c= 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 1.0 1 h c c=2 c=1 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 1.0 1 h c c=2 c=2 1.5982 0.0000 0.0000 -1.8873 0.0000 0.0000
+ 1.0 1 h c c=2 h 1.9061 0.0000 0.0000 -0.0677 0.0000 0.0000
+ 1.0 1 c c c_0 c 11.8711 0.4675 -0.9932 3.3047 1.6116 0.6520
+ 1.0 1 c c c_0 h 10.6088 -1.1324 -0.0338 1.1057 0.2554 -0.3863
+ 1.0 1 c c c_0 o 10.6972 2.7324 -1.1886 5.2514 1.9751 0.1040
+ 1.0 1 c c c_0 o_1 11.5375 -0.4216 -0.0784 0.6781 1.4473 -0.1388
+ 1.0 1 h c c_0 c 13.8143 0.1133 0.1601 1.8624 0.6555 0.1809
+ 1.0 1 h c c_0 h 12.6652 -1.0089 -0.0067 -0.5230 0.4954 -0.0989
+ 1.0 1 h c c_0 o 13.2959 0.8005 -0.0071 -0.0241 1.4427 0.1212
+ 1.0 1 h c c_0 o_1 14.4728 0.3339 0.0800 -2.0667 0.9622 -0.2932
+ 1.0 1 o c c_0 h -0.1859 0.8282 -0.3060 0.4929 -0.3498 -0.2581
+ 1.0 1 o c c_0 o_1 1.1337 -1.1729 1.3341 0.9678 -0.1998 -0.3288
+ 1.0 1 c c c_1 n 2.1802 -0.0335 -1.3816 2.1221 0.5032 -0.0767
+ 1.0 1 c c c_1 o_1 0.0885 -1.3703 -0.5452 0.6750 0.5965 0.6725
+ 1.0 1 h c c_1 n 7.0950 0.0075 0.6910 2.0013 0.5068 0.8406
+ 1.0 1 h c c_1 o_1 9.1299 -0.4847 0.3582 -1.4946 0.7308 -0.2083
+ 1.0 1 n c c_1 n -0.8197 -0.8239 2.4591 -0.0446 0.6377 -6.3639
+ 1.0 1 n c c_1 o_1 -1.8188 -2.8142 2.3527 0.9836 3.7792 5.5095
+ 1.3 1 n+ c c_1 n 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 n+ c c_1 o_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c c cp cp 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c c cp np 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c cp cp 4.6266 0.1632 0.0461 0.2251 0.6548 0.1237
+ 1.3 1 h c cp np 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c c n c -0.2874 1.7740 0.2737 1.2928 2.0632 -0.1540
+ 1.0 1 c c n c_1 -0.7555 0.0564 1.2177 -1.5230 1.1296 0.7167
+ 1.0 1 c c n h* -2.8967 2.7084 -0.0375 -0.5807 0.2041 -0.1384
+ 1.3 1 c- c n c_1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c- c n h* 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 c_1 c n c 3.4989 -3.5786 -2.2092 -0.4487 2.5120 2.5692
+ 1.0 1 c_1 c n c_1 4.7811 1.8407 1.2990 -2.4085 0.8761 -1.1066
+ 1.0 1 c_1 c n h* -3.6735 2.0320 0.3780 0.0619 -0.3167 -1.4636
+ 1.0 1 h c n c -1.7530 1.2998 0.5059 0.3543 -0.3981 -0.1951
+ 1.0 1 h c n c_1 -1.5157 2.0781 0.5364 0.0372 -0.3418 -0.0775
+ 1.0 1 h c n h* -3.7022 1.3876 0.2393 -0.3868 0.2041 0.0445
+ 1.0 1 c c n+ c -1.2877 4.8056 1.1481 -3.7682 2.7464 -1.6272
+ 1.0 1 c c n+ h+ -3.5237 -0.3880 -0.4954 -2.1025 -0.9363 0.4381
+ 1.3 1 c_0 c n+ h+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.3 1 c_1 c n+ h+ 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 h c n+ c -0.0839 1.5477 -0.2284 1.6840 0.4087 0.4293
+ 1.0 1 h c n+ h+ -2.4112 -0.4658 -0.0738 -1.7705 -0.8407 -0.2881
+ 1.1 1 c c n= cr -3.6726 1.1461 -1.0045 -1.3328 3.4229 0.0281
+ 1.1 1 h c n= cr -2.6999 -0.3540 -0.8903 -1.2402 -0.1664 -1.6410
+ 1.1 1 c c n=1 cr -3.6726 1.1461 -1.0045 -1.3328 3.4229 0.0281
+ 1.1 1 h c n=1 cr -2.6999 -0.3540 -0.8903 -1.2402 -0.1664 -1.6410
+ 1.1 1 c c n=2 cr -3.6726 1.1461 -1.0045 -1.3328 3.4229 0.0281
+ 1.1 1 h c n=2 cr -2.6999 -0.3540 -0.8903 -1.2402 -0.1664 -1.6410
+ 1.0 1 c c na c -2.7883 1.5193 1.4796 1.2031 1.3645 -0.7071
+ 1.0 1 c c na h* -3.3430 4.4558 -0.0346 0.2873 -0.8072 -0.0960
+ 1.0 1 h c na c -2.6321 0.9353 -0.8398 -1.3582 0.1465 -0.5729
+ 1.0 1 h c na h* -3.9582 2.0063 0.3213 -0.4294 -0.4442 -0.6141
+ 1.0 1 c c nr c+ -3.6726 1.1461 -1.0045 -1.3328 3.4229 0.0281
+ 1.0 1 c c nr h* -2.5229 2.8479 2.0585 -3.6916 4.0605 -1.5440
+ 1.0 1 h c nr c+ -2.6999 -0.3540 -0.8903 -1.2402 -0.1664 -1.6410
+ 1.0 1 h c nr h* -1.8945 1.2211 -0.7455 0.1095 0.0654 0.1086
+ 1.0 1 c c o c -2.7466 1.4877 -0.8955 0.5676 0.9450 0.0703
+ 1.0 1 c c o c_0 -0.4620 1.4492 -0.6765 -0.0890 -0.9159 0.7229
+ 1.0 1 c c o h* -3.5903 2.5225 0.4888 0.8726 -0.3577 0.3888
+ 1.0 1 c_0 c o c_0 -0.3879 0.1303 0.0515 0.6985 -0.4001 -0.4257
+ 1.0 1 h c o c -1.8234 1.6393 0.5144 -0.7777 0.4340 -0.6653
+ 1.0 1 h c o c_0 -0.4990 2.8061 -0.0401 -0.3142 -0.8699 0.0971
+ 1.0 1 h c o h* -3.4060 1.6396 0.0737 0.0000 -0.2810 -0.5944
+ 1.0 1 c c s c 5.1289 2.0927 -2.4004 -4.5489 0.0886 0.6237
+ 1.0 1 c c s h -0.6045 3.8941 0.8885 1.0193 -0.6016 0.2097
+ 1.0 1 c c s s -0.8964 3.3999 -0.2082 -5.9560 6.3297 -4.2261
+ 1.0 1 h c s c 0.5962 3.3479 0.2265 -1.0888 -0.2000 -0.0909
+ 1.0 1 h c s h -2.2533 2.6948 -0.1723 1.4340 -0.1915 -0.2611
+ 1.0 1 h c s s -3.5098 2.3035 -0.5033 -0.2723 0.8581 -0.4014
+ 1.0 1 s c s c -0.8600 0.8600 0.8600 -6.9151 -2.3017 1.1372
+ 1.0 1 s c s h -0.8600 1.2900 1.2900 2.3096 -1.2955 -0.1262
+ 2.2 9 h c si c 0.0000 0.0000 0.3382 0.0000 0.0000 0.4272
+ 2.2 9 h c si h 0.0000 0.0000 0.0000 0.0000 0.0000 -0.1423
+ 2.2 9 h c si si 0.0000 0.0000 0.1637 0.0000 0.0000 0.0462
+ 1.0 1 nr c+ nr c 4.4676 3.8223 -1.9571 1.8816 1.1008 0.5286
+ 1.0 1 nr c+ nr h* -1.9886 2.4637 -0.3427 1.9914 1.1009 0.0573
+ 1.0 1 c c= c= c -4.3970 2.5810 0.0000
+ 1.0 1 c c= c= h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 1.0 1 h c= c= h -1.8911 3.2540 0.0000
+ 1.0 1 c c= c=1 c -4.3970 2.5810 0.0000 -4.3970 2.5810 0.0000
+ 1.0 1 c c= c=1 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 1.0 1 h c= c=1 c -1.5176 3.7112 0.0000 -5.4082 1.4731 0.0000
+ 1.0 1 h c= c=1 h -1.8911 3.2540 0.0000 -1.8911 3.2540 0.0000
+ 1.0 1 c c= c=2 c -4.3970 2.5810 0.0000 -4.3970 2.5810 0.0000
+ 1.0 1 c c= c=2 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 1.0 1 h c= c=2 c -1.5176 3.7112 0.0000 -5.4082 1.4731 0.0000
+ 1.0 1 h c= c=2 h -1.8911 3.2540 0.0000 -1.8911 3.2540 0.0000
+ 1.0 1 c c=1 c=1 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 1.0 1 c c=1 c=2 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 1.0 1 h c=1 c=2 c -1.5176 3.7112 0.0000 -5.4082 1.4731 0.0000
+ 1.0 1 c c=2 c=2 h -5.4082 1.4731 0.0000 -1.5176 3.7112 0.0000
+ 1.0 1 c c_0 o c 0.9701 -2.5169 1.7195 0.8831 -0.8203 0.2405
+ 1.0 1 c c_0 o h* -1.5224 -1.2931 -0.1378 2.2044 0.2483 -1.9797
+ 1.0 1 h c_0 o c 3.4954 -3.1904 0.4900 -0.2532 0.4695 0.8187
+ 1.0 1 h c_0 o h* -0.8264 -1.1986 -1.0607 0.0916 0.8164 -1.3148
+ 1.0 1 o_1 c_0 o c 5.9732 2.7261 1.9052 2.3573 1.0059 -0.0327
+ 1.0 1 o_1 c_0 o h* -4.2614 -2.1352 -1.7658 -0.4555 0.2043 -1.0606
+ 1.0 1 c c_1 n c 4.2133 2.9302 3.2903 5.9160 1.7856 0.4052
+ 1.0 1 c c_1 n h* -2.2134 1.2909 0.9726 1.9306 0.2105 0.0557
+ 1.0 1 h c_1 n c 0.1359 3.1321 0.2142 6.1827 -0.3528 -0.2149
+ 1.0 1 h c_1 n c_1 -2.5789 2.4858 1.0054 1.6253 -1.2644 0.5926
+ 1.0 1 h c_1 n h* -2.1825 2.0443 -0.1457 2.2206 0.5706 -0.0180
+ 1.0 1 n c_1 n h* -2.6748 1.5760 0.0730 0.4592 -0.4613 0.3508
+ 1.0 1 o_1 c_1 n c 4.4466 4.0317 1.7129 7.4427 2.1505 -0.2206
+ 1.0 1 o_1 c_1 n c_1 -1.5747 2.3997 -0.2851 -0.3038 -0.0548 -0.3188
+ 1.0 1 o_1 c_1 n h* -2.6238 0.3606 0.5474 2.3848 0.7030 0.1399
+ 1.0 1 c cp cp cp 0.0000 -4.4683 0.0000 0.0000 3.8987 0.0000
+ 1.0 1 c cp cp h 0.0000 -0.1242 0.0000 0.0000 3.4601 0.0000
+ 1.3 1 c cp cp nh 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 cp cp cp cp 1.9767 1.0239 0.0000
+ 1.0 1 cp cp cp h 0.0000 2.5014 0.0000 0.0000 2.7147 0.0000
+ 1.0 1 cp cp cp nh -9.9278 -5.3449 0.0000 -7.0296 -6.3611 0.0000
+ 1.0 1 cp cp cp nn 0.0000 9.0901 0.0000 0.0000 -6.0882 0.0000
+ 1.0 1 cp cp cp np 0.0000 8.5235 0.0000 0.0000 6.9465 0.0000
+ 1.0 1 cp cp cp o 0.0000 10.0155 0.0000 0.0000 1.7404 0.0000
+ 1.0 1 cp cp cp op 0.0000 15.0720 0.0000 0.0000 22.8370 0.0000
+ 2.2 9 cp cp cp si 0.0000 -5.5448 0.0000 0.0000 4.3281 0.0000
+ 1.0 1 cp cp cp sp 0.0000 2.2824 0.0000 0.0000 4.7164 0.0000
+ 1.0 1 h cp cp h 0.0000 2.4501 0.0000
+ 1.0 1 h cp cp nh 0.0000 3.8936 0.0000 0.0000 2.6686 0.0000
+ 1.0 1 h cp cp nn 0.0000 2.9813 0.0000 0.0000 0.2787 0.0000
+ 1.0 1 h cp cp np 0.0000 2.6369 0.0000 0.0000 0.9126 0.0000
+ 1.0 1 h cp cp o 0.0000 1.8729 0.0000 0.0000 2.5706 0.0000
+ 1.0 1 h cp cp op 0.0000 3.1723 0.0000 0.0000 -1.6882 0.0000
+ 2.2 9 h cp cp si 0.0000 4.5914 0.0000 0.0000 1.1079 0.0000
+ 1.0 1 h cp cp sp 0.0000 3.2082 0.0000 0.0000 2.4807 0.0000
+ 1.0 1 nh cp cp nh 0.0000 23.0437 0.0000
+ 1.0 1 nh cp cp np 0.0000 12.8485 0.0000 0.0000 7.4493 0.0000
+ 1.0 1 np cp cp np 0.0000 16.0967 0.0000
+ 1.0 1 np cp cp op 0.0000 0.9449 0.0000 0.0000 12.6989 0.0000
+ 1.0 1 np cp cp sp 0.0000 2.3897 0.0000 0.0000 4.2033 0.0000
+ 1.0 1 cp cp nh cp 25.2371 4.8848 0.0000 1.0949 6.1583 0.0000
+ 1.0 1 cp cp nh h* 0.0000 2.3151 0.0000 0.0000 1.0530 0.0000
+ 1.0 1 cp cp nh np 0.0000 28.9149 0.0000 0.0000 7.0823 0.0000
+ 1.0 1 h cp nh cp 0.0000 1.2580 0.0000 0.0000 0.8392 0.0000
+ 1.0 1 h cp nh h* 0.0000 -0.4946 0.0000 0.0000 1.6589 0.0000
+ 1.0 1 h cp nh np 0.0000 2.2090 0.0000 0.0000 -1.1106 0.0000
+ 1.0 1 nh cp nh cp 0.0000 28.8815 0.0000 0.0000 28.8729 0.0000
+ 1.0 1 nh cp nh h* 0.0000 1.2639 0.0000 0.0000 3.5635 0.0000
+ 1.0 1 np cp nh cp 0.0000 23.4288 0.0000 0.0000 38.8606 0.0000
+ 1.0 1 np cp nh h* 0.0000 -0.2659 0.0000 0.0000 0.1553 0.0000
+ 1.0 1 cp cp nn h* 0.0000 1.2616 0.0000 0.0000 0.7744 0.0000
+ 1.0 1 np cp nn h* 0.0000 -1.7963 0.0000 0.0000 1.5019 0.0000
+ 1.3 1 c cp np cp 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 1.0 1 cp cp np cp 0.0000 2.9321 0.0000 0.0000 4.1497 0.0000
+ 1.0 1 cp cp np nh 0.0000 0.5148 0.0000 0.0000 12.1184 0.0000
+ 1.0 1 cp cp np np 0.0000 11.9786 0.0000 0.0000 11.7559 0.0000
+ 1.0 1 h cp np cp 0.0000 2.8755 0.0000 0.0000 -0.7484 0.0000
+ 1.0 1 h cp np nh 0.0000 6.9505 0.0000 0.0000 -1.8868 0.0000
+ 1.0 1 h cp np np 0.0000 3.8763 0.0000 0.0000 0.6485 0.0000
+ 1.0 1 nh cp np cp 0.0000 6.1188 0.0000 0.0000 2.0666 0.0000
+ 1.0 1 nn cp np cp 0.0000 5.6896 0.0000 0.0000 1.4949 0.0000
+ 1.0 1 np cp np cp 0.0000 4.3346 0.0000 0.0000 5.6896 0.0000
+ 1.0 1 op cp np cp 0.0000 11.8323 0.0000 0.0000 8.4649 0.0000
+ 1.0 1 op cp np np 0.0000 7.3738 0.0000 0.0000 5.0348 0.0000
+ 1.0 1 sp cp np cp 0.0000 22.0468 0.0000 0.0000 6.6427 0.0000
+ 1.0 1 sp cp np np 0.0000 23.0599 0.0000 0.0000 3.3755 0.0000
+ 1.0 1 cp cp o h* -5.1360 -1.0122 0.0000 4.6852 0.0230 -0.5980
+ 1.0 1 cp cp op cp 0.0000 35.3158 0.0000 0.0000 38.1416 0.0000
+ 1.0 1 h cp op cp 0.0000 -2.4175 0.0000 0.0000 4.2906 0.0000
+ 1.0 1 np cp op cp 0.0000 45.0848 0.0000 0.0000 43.8973 0.0000
+ 2.2 9 cp cp si h 0.0000 0.0000 -0.2779 0.0000 0.0000 -0.1932
+ 1.0 1 cp cp sp cp 0.0000 49.2187 0.0000 0.0000 45.7531 0.0000
+ 1.0 1 h cp sp cp 0.0000 1.9309 0.0000 0.0000 6.2778 0.0000
+ 1.0 1 np cp sp cp 0.0000 69.7354 0.0000 0.0000 59.0299 0.0000
+ 1.1 1 nr cr n= c 4.4676 3.8223 -1.9571 1.8816 1.1008 0.5286
+ 1.1 1 nr cr n=1 c 4.4676 3.8223 -1.9571 1.8816 1.1008 0.5286
+ 1.1 1 nr cr n=2 c 4.4676 3.8223 -1.9571 1.8816 1.1008 0.5286
+ 1.1 1 n= cr nr h* -1.9886 2.4637 -0.3427 1.9914 1.1009 0.0573
+ 1.1 1 n=1 cr nr h* -1.9886 2.4637 -0.3427 1.9914 1.1009 0.0573
+ 1.1 1 n=2 cr nr h* -1.9886 2.4637 -0.3427 1.9914 1.1009 0.0573
+ 1.0 1 cp nh np cp 0.0000 32.3549 0.0000 0.0000 27.2556 0.0000
+ 1.0 1 h* nh np cp 0.0000 4.3989 0.0000 0.0000 0.5462 0.0000
+ 1.0 1 cp np np cp 0.0000 8.9855 0.0000
+ 1.0 1 c s s c -5.9573 3.1622 -1.3506
+ 1.0 1 c s s h -2.6305 6.8180 -0.0319 -1.4706 3.8645 0.0227
+ 1.0 1 h s s h -2.7059 3.6628 -0.2319
+ 2.2 9 c si si h 0.0000 0.0000 0.0000 0.0000 0.0000 0.6090
+ 2.2 9 h si si h 0.0000 0.0000 -0.2288
+ 2.2 9 h si si si 0.0000 0.0000 0.6171 0.0000 0.0000 0.9809
+
+
+#angle-angle-torsion_1 cff91
+
+> E = K * (Theta - Theta0) * (Theta' - Theta0') * (Phi - Phi1(0))
+
+!Ver Ref I J K L K(Ang,Ang,Tor)
+!--- --- ----- ----- ----- ----- --------------
+ 3.0 10 oah az oah hoa 5.5622
+ 3.0 10 oas az oah hoa 1.2333
+ 3.0 10 ob az oah hoa 4.4779
+ 3.0 10 oah az oas sz 26.9482
+ 3.0 10 oas az oas sz 47.7261
+ 3.0 10 ob az oas sz 5.7883
+ 3.0 10 oah az ob hb 1.8526
+ 3.0 10 oah az ob sz -43.6531
+ 3.0 10 oas az ob hb -5.6200
+ 3.0 10 oas az ob sz -14.4662
+ 1.0 1 c c c c -22.0450
+ 1.0 1 c c c c- -34.6290
+ 1.0 1 c c c c= -27.9127
+ 1.0 1 c c c c=1 -27.9127
+ 1.0 1 c c c c=2 -27.9127
+ 1.0 1 c c c c_0 -20.3304
+ 1.0 1 c c c c_1 -0.3801
+ 1.0 1 c c c h -16.1640
+ 1.0 1 c c c n -1.0631
+ 1.0 1 c c c n+ -41.0718
+ 1.1 1 c c c n= 0.0000
+ 1.1 1 c c c n=1 0.0000
+ 1.1 1 c c c n=2 0.0000
+ 1.0 1 c c c na -27.3953
+ 1.0 1 c c c o -29.0420
+ 1.0 1 c c c s -26.7100
+ 1.3 1 c- c c c_1 0.0000
+ 1.3 1 c- c c cp 0.0000
+ 1.0 1 c- c c h -15.6070
+ 1.3 1 c- c c n 0.0000
+ 1.0 1 c= c c c= -9.6558
+ 1.0 1 c= c c c=1 -9.6558
+ 1.0 1 c= c c c=2 -9.6558
+ 1.0 1 c= c c h -18.3717
+ 1.0 1 c=1 c c c=1 -9.6558
+ 1.0 1 c=1 c c c=2 -9.6558
+ 1.0 1 c=1 c c h -18.3717
+ 1.0 1 c=2 c c c=2 -9.6558
+ 1.0 1 c=2 c c h -18.3717
+ 1.0 1 c_0 c c c_0 -4.2783
+ 1.3 1 c_0 c c c_1 0.0000
+ 1.0 1 c_0 c c h -14.3155
+ 1.3 1 c_0 c c n 0.0000
+ 1.0 1 c_0 c c o -32.4436
+ 1.0 1 c_1 c c c_1 0.1398
+ 1.3 1 c_1 c c cp 0.0000
+ 1.0 1 c_1 c c h -5.3624
+ 1.0 1 c_1 c c n 0.3510
+ 1.3 1 c_1 c c o 0.0000
+ 1.3 1 c_1 c c s 0.0000
+ 1.3 1 cp c c h 0.0000
+ 1.3 1 cp c c n 0.0000
+ 1.0 1 h c c h -12.5640
+ 1.0 1 h c c n -12.7974
+ 1.0 1 h c c n+ -18.9263
+ 1.1 1 h c c n= -27.5064
+ 1.1 1 h c c n=1 -27.5064
+ 1.1 1 h c c n=2 -27.5064
+ 1.0 1 h c c na -15.7572
+ 1.0 1 h c c nr -27.5064
+ 1.0 1 h c c o -20.2006
+ 1.0 1 h c c s -13.1026
+ 1.3 1 n c c o 0.0000
+ 1.3 1 n c c s 0.0000
+ 1.0 1 na c c na -11.2307
+ 1.0 1 o c c o -14.0484
+ 1.0 1 s c c s -13.9674
+ 1.0 1 c c c- o- -28.7420
+ 1.0 1 h c c- o- -19.4570
+ 1.3 1 n c c- o- 0.0000
+ 1.0 1 c c c= c -2.1072
+ 1.0 1 c c c= c= -20.3707
+ 1.0 1 c c c= c=1 -20.3707
+ 1.0 1 c c c= c=2 -20.3707
+ 1.0 1 c c c= h -16.8993
+ 1.0 1 c= c c= c= -20.1370
+ 1.0 1 c= c c= c=1 -20.1370
+ 1.0 1 c= c c= c=2 -20.1370
+ 1.0 1 c= c c= h -8.3551
+ 1.0 1 c=1 c c= c= -20.1370
+ 1.0 1 c=1 c c= c=1 -20.1370
+ 1.0 1 c=1 c c= c=2 -20.1370
+ 1.0 1 c=1 c c= h -8.3551
+ 1.0 1 c=2 c c= c= -20.1370
+ 1.0 1 c=2 c c= c=1 -20.1370
+ 1.0 1 c=2 c c= c=2 -20.1370
+ 1.0 1 c=2 c c= h -8.3551
+ 1.0 1 h c c= c -12.8653
+ 1.0 1 h c c= c= -13.6826
+ 1.0 1 h c c= c=1 -13.6826
+ 1.0 1 h c c= c=2 -13.6826
+ 1.0 1 h c c= h -10.9512
+ 1.0 1 c c c=1 c -2.1072
+ 1.0 1 c c c=1 c= -20.3707
+ 1.0 1 c c c=1 c=1 -20.3707
+ 1.0 1 c c c=1 c=2 -20.3707
+ 1.0 1 c c c=1 h -16.8993
+ 1.0 1 c= c c=1 c= -20.1370
+ 1.0 1 c= c c=1 c=1 -20.1370
+ 1.0 1 c= c c=1 c=2 -20.1370
+ 1.0 1 c= c c=1 h -8.3551
+ 1.0 1 c=1 c c=1 c= -20.1370
+ 1.0 1 c=1 c c=1 c=1 -20.1370
+ 1.0 1 c=1 c c=1 c=2 -20.1370
+ 1.0 1 c=1 c c=1 h -8.3551
+ 1.0 1 c=2 c c=1 c= -20.1370
+ 1.0 1 c=2 c c=1 c=1 -20.1370
+ 1.0 1 c=2 c c=1 c=2 -20.1370
+ 1.0 1 c=2 c c=1 h -8.3551
+ 1.0 1 h c c=1 c -12.8653
+ 1.0 1 h c c=1 c= -13.6826
+ 1.0 1 h c c=1 c=1 -13.6826
+ 1.0 1 h c c=1 c=2 -13.6826
+ 1.0 1 h c c=1 h -10.9512
+ 1.0 1 c c c=2 c -2.1072
+ 1.0 1 c c c=2 c= -20.3707
+ 1.0 1 c c c=2 c=1 -20.3707
+ 1.0 1 c c c=2 c=2 -20.3707
+ 1.0 1 c c c=2 h -16.8993
+ 1.0 1 c= c c=2 c= -20.1370
+ 1.0 1 c= c c=2 c=1 -20.1370
+ 1.0 1 c= c c=2 c=2 -20.1370
+ 1.0 1 c= c c=2 h -8.3551
+ 1.0 1 c=1 c c=2 c= -20.1370
+ 1.0 1 c=1 c c=2 c=1 -20.1370
+ 1.0 1 c=1 c c=2 c=2 -20.1370
+ 1.0 1 c=1 c c=2 h -8.3551
+ 1.0 1 c=2 c c=2 c= -20.1370
+ 1.0 1 c=2 c c=2 c=1 -20.1370
+ 1.0 1 c=2 c c=2 c=2 -20.1370
+ 1.0 1 c=2 c c=2 h -8.3551
+ 1.0 1 h c c=2 c -12.8653
+ 1.0 1 h c c=2 c= -13.6826
+ 1.0 1 h c c=2 c=1 -13.6826
+ 1.0 1 h c c=2 c=2 -13.6826
+ 1.0 1 h c c=2 h -10.9512
+ 1.0 1 c c c_0 c -10.3309
+ 1.0 1 c c c_0 h -9.8926
+ 1.0 1 c c c_0 o -0.8819
+ 1.0 1 c c c_0 o_1 -24.7000
+ 1.0 1 h c c_0 c -12.8684
+ 1.0 1 h c c_0 h -9.3256
+ 1.0 1 h c c_0 o -13.9734
+ 1.0 1 h c c_0 o_1 -23.1923
+ 1.0 1 o c c_0 h -2.0131
+ 1.0 1 o c c_0 o_1 -23.6140
+ 1.0 1 c c c_1 n -5.4514
+ 1.0 1 c c c_1 o_1 -8.0190
+ 1.0 1 h c c_1 n -12.2417
+ 1.0 1 h c c_1 o_1 -15.3496
+ 1.0 1 n c c_1 n -1.7888
+ 1.0 1 n c c_1 o_1 -6.5339
+ 1.3 1 n+ c c_1 n 0.0000
+ 1.3 1 n+ c c_1 o_1 0.0000
+ 1.3 1 c c cp cp 0.0000
+ 1.3 1 c c cp np 0.0000
+ 1.0 1 h c cp cp -5.8888
+ 1.3 1 h c cp np 0.0000
+ 1.0 1 c c n c -1.7549
+ 1.0 1 c c n c_1 -7.4314
+ 1.0 1 c c n h* -4.6337
+ 1.3 1 c- c n c_1 0.0000
+ 1.3 1 c- c n h* 0.0000
+ 1.0 1 c_1 c n c 0.1586
+ 1.0 1 c_1 c n c_1 -9.2222
+ 1.0 1 c_1 c n h* -0.9915
+ 1.0 1 h c n c -12.2367
+ 1.0 1 h c n c_1 -8.1335
+ 1.0 1 h c n h* -6.6590
+ 1.0 1 c c n+ c -18.1594
+ 1.0 1 c c n+ h+ -15.9511
+ 1.3 1 c_0 c n+ h+ 0.0000
+ 1.3 1 c_1 c n+ h+ 0.0000
+ 1.0 1 h c n+ c -14.0443
+ 1.0 1 h c n+ h+ -9.0674
+ 1.1 1 c c n= cr -28.6245
+ 1.1 1 h c n= cr -8.0135
+ 1.1 1 c c n=1 cr -28.6245
+ 1.1 1 h c n=1 cr -8.0135
+ 1.1 1 c c n=2 cr -28.6245
+ 1.1 1 h c n=2 cr -8.0135
+ 1.0 1 c c na c -24.3818
+ 1.0 1 c c na h* -7.5499
+ 1.0 1 h c na c -12.5567
+ 1.0 1 h c na h* -10.4258
+ 1.0 1 c c nr c+ -28.6245
+ 1.0 1 c c nr h* -8.8981
+ 1.0 1 h c nr c+ -8.0135
+ 1.0 1 h c nr h* -9.6278
+ 1.0 1 c c o c -19.0059
+ 1.0 1 c c o c_0 -15.7082
+ 1.0 1 c c o h* -12.1038
+ 1.0 1 c_0 c o c_0 -4.2319
+ 1.0 1 h c o c -16.4438
+ 1.0 1 h c o c_0 -13.1500
+ 1.0 1 h c o h* -10.5093
+ 1.0 1 c c s c -32.8949
+ 1.0 1 c c s h -28.1728
+ 1.0 1 c c s s -24.3566
+ 1.0 1 h c s c -26.4900
+ 1.0 1 h c s h -18.6334
+ 1.0 1 h c s s -19.9315
+ 1.0 1 s c s c -16.2487
+ 1.0 1 s c s h -7.5707
+ 2.2 9 h c si c -17.5802
+ 2.2 9 h c si h -12.9341
+ 2.2 9 h c si si -13.3679
+ 1.0 1 nr c+ nr c -14.5350
+ 1.0 1 nr c+ nr h* -4.4896
+ 1.0 1 c c= c= c -5.5205
+ 1.0 1 c c= c= h -7.6912
+ 1.0 1 h c= c= h -7.0058
+ 1.0 1 c c= c=1 c -5.5205
+ 1.0 1 c c= c=1 h -7.6912
+ 1.0 1 h c= c=1 c -7.6912
+ 1.0 1 h c= c=1 h -7.0058
+ 1.0 1 c c= c=2 c -5.5205
+ 1.0 1 c c= c=2 h -7.6912
+ 1.0 1 h c= c=2 c -7.6912
+ 1.0 1 h c= c=2 h -7.0058
+ 1.0 1 c c=1 c=1 h -7.6912
+ 1.0 1 c c=1 c=2 h -7.6912
+ 1.0 1 h c=1 c=2 c -7.6912
+ 1.0 1 c c=2 c=2 h -7.6912
+ 1.0 1 c c_0 o c -12.2070
+ 1.0 1 c c_0 o h* -10.5663
+ 1.0 1 h c_0 o c -9.5860
+ 1.0 1 h c_0 o h* -6.2388
+ 1.0 1 o_1 c_0 o c -32.9368
+ 1.0 1 o_1 c_0 o h* -16.1882
+ 1.0 1 c c_1 n c -6.5335
+ 1.0 1 c c_1 n h* -1.3234
+ 1.0 1 h c_1 n c -5.5930
+ 1.0 1 h c_1 n c_1 -0.7515
+ 1.0 1 h c_1 n h* -5.3514
+ 1.0 1 n c_1 n h* -1.5159
+ 1.0 1 o_1 c_1 n c -15.5547
+ 1.0 1 o_1 c_1 n c_1 -3.3556
+ 1.0 1 o_1 c_1 n h* -7.3186
+ 1.0 1 c cp cp cp -14.4097
+ 1.0 1 c cp cp h 4.4444
+ 1.3 1 c cp cp nh 0.0000
+ 1.0 1 cp cp cp cp 0.0000
+ 1.0 1 cp cp cp h -4.8141
+ 1.0 1 cp cp cp nh 0.0000
+ 1.0 1 cp cp cp nn 0.0000
+ 1.0 1 cp cp cp np 0.0000
+ 1.0 1 cp cp cp o -21.0247
+ 1.0 1 cp cp cp op 0.0000
+ 2.2 9 cp cp cp si 0.0000
+ 1.0 1 cp cp cp sp 0.0000
+ 1.0 1 h cp cp h 0.3598
+ 1.0 1 h cp cp nh -1.3637
+ 1.0 1 h cp cp nn 0.0000
+ 1.0 1 h cp cp np -7.3709
+ 1.0 1 h cp cp o 4.2296
+ 1.0 1 h cp cp op -6.0317
+ 2.2 9 h cp cp si 0.0000
+ 1.0 1 h cp cp sp -8.2210
+ 1.0 1 nh cp cp nh 0.0000
+ 1.0 1 nh cp cp np 0.0000
+ 1.0 1 np cp cp np 0.0000
+ 1.0 1 np cp cp op 0.0000
+ 1.0 1 np cp cp sp 0.0000
+ 1.0 1 cp cp nh cp 0.0000
+ 1.0 1 cp cp nh h* 0.1778
+ 1.0 1 cp cp nh np 0.0000
+ 1.0 1 h cp nh cp -2.3617
+ 1.0 1 h cp nh h* -1.9416
+ 1.0 1 h cp nh np 9.7176
+ 1.0 1 nh cp nh cp 0.0000
+ 1.0 1 nh cp nh h* -0.3671
+ 1.0 1 np cp nh cp 0.0000
+ 1.0 1 np cp nh h* -5.3541
+ 1.0 1 cp cp nn h* -7.1755
+ 1.0 1 np cp nn h* -8.0600
+ 1.3 1 c cp np cp 0.0000
+ 1.0 1 cp cp np cp 0.0000
+ 1.0 1 cp cp np nh 0.0000
+ 1.0 1 cp cp np np 0.0000
+ 1.0 1 h cp np cp -8.7021
+ 1.0 1 h cp np nh -8.1940
+ 1.0 1 h cp np np -8.7693
+ 1.0 1 nh cp np cp 0.0000
+ 1.0 1 nn cp np cp 0.0000
+ 1.0 1 np cp np cp 0.0000
+ 1.0 1 op cp np cp 0.0000
+ 1.0 1 op cp np np 0.0000
+ 1.0 1 sp cp np cp 0.0000
+ 1.0 1 sp cp np np 0.0000
+ 1.0 1 cp cp o h* -4.6072
+ 1.0 1 cp cp op cp 0.0000
+ 1.0 1 h cp op cp -13.3085
+ 1.0 1 np cp op cp 0.0000
+ 2.2 9 cp cp si h 0.0000
+ 1.0 1 cp cp sp cp 0.0000
+ 1.0 1 h cp sp cp -12.4136
+ 1.0 1 np cp sp cp 0.0000
+ 1.1 1 nr cr n= c -14.5350
+ 1.1 1 nr cr n=1 c -14.5350
+ 1.1 1 nr cr n=2 c -14.5350
+ 1.1 1 n= cr nr h* -4.4896
+ 1.1 1 n=1 cr nr h* -4.4896
+ 1.1 1 n=2 cr nr h* -4.4896
+ 1.0 1 cp nh np cp 0.0000
+ 1.0 1 h* nh np cp 5.3945
+ 1.0 1 cp np np cp 0.0000
+ 3.0 10 az oas sz oas 47.7261
+ 3.0 10 az oas sz osh 3.0141
+ 3.0 10 az oas sz oss 40.5387
+ 3.0 10 az ob sz osh 32.7202
+ 3.0 10 az ob sz oss -12.9867
+ 3.0 10 hb ob sz osh -29.1724
+ 3.0 10 hb ob sz oss 0.0000
+ 3.0 10 hos osh sz oas 0.0000
+ 3.0 10 hos osh sz ob -8.3930
+ 3.0 10 hos osh sz osh 5.0402
+ 3.0 10 hos osh sz oss 0.0000
+ 3.0 10 sz oss sz oas -13.1383
+ 3.0 10 sz oss sz ob 15.9000
+ 3.0 10 sz oss sz osh 4.3761
+ 3.0 10 sz oss sz oss 5.7889
+ 1.0 1 c s s c -16.7205
+ 1.0 1 c s s h -28.2282
+ 1.0 1 h s s h -20.9653
+ 2.2 9 c si si h -16.9141
+ 2.2 9 h si si h -10.8232
+ 2.2 9 h si si si -12.2861
+
+
+#torsion-torsion_1 cff91
+
+> E = F * cos(phi) * cos(phi') }
+
+!Ver Ref I J K L M K(Phi,Phi')
+!--- --- ----- ----- ----- ----- ----- -----------
+
+#reference 1
+@Author Biosym Technologies inc
+@Date 25-December-91
+cff91 forcefield created
+December 1991
+
+#reference 2
+@Author Shenghua Shi
+@Date 17-August-91
+automatic parameter assignment included
+September 1992
+
+#reference 3
+@Author Shenghua Shi
+@Date 17-August-91
+for conjugated systems
+September 1992
+
+#reference 4
+@Author Huai Sun
+@Date 20-August-91
+added atom types and parameters for polyurea, urethane, siloxane and carbonate
+
+#reference 5
+@Author Huai Sun
+@Date 20-August-92
+polycarbonate parameters
+
+#reference 6
+@Author Huai Sun
+@Date 26-July-93
+added atom types and parameters for aromatic esters - c_1, o_1, o_2, ho2.
+
+#reference 7
+@Author Huai Sun
+@Date 26-September-93
+refined parameters for urethanes
+
+#reference 8
+@Author Huai Sun
+@Date 26-October-93
+estimated parameters based on literature survey and ab initio calculations.
+
+#reference 9
+@Author Huai Sun
+@Date 1-November-94
+added parameters for silanes.
+
+#reference 10
+@Author Joerg-R. Hill
+@Date 2-December-92
+parameters for zeolites
+
+#reference 11
+@Author Behnam Vessal
+@Date 9-June-95
+parameters for metals were added
+
+#reference 12
+@Author Huai Sun
+@Date 12-October-95
+added 2-pyridinol; added polyphosphazene
+
+#end
diff --git a/tools/msi2lmp/biosym_frc_files/pcff.rlb b/tools/msi2lmp/biosym_frc_files/pcff.rlb
new file mode 100644
index 0000000000..1215910cc1
--- /dev/null
+++ b/tools/msi2lmp/biosym_frc_files/pcff.rlb
@@ -0,0 +1,2 @@
+VERSION
+elib
diff --git a/tools/msi2lmp/biosym_frc_files/pcff_templates.dat b/tools/msi2lmp/biosym_frc_files/pcff_templates.dat
new file mode 100644
index 0000000000..d69f110cc3
--- /dev/null
+++ b/tools/msi2lmp/biosym_frc_files/pcff_templates.dat
@@ -0,0 +1,1927 @@
+! mcff_templates
+! Template file of potential type assignment templates for the mcff
+! forcefield (March-1995)
+!
+
+type: ?
+ ! anything
+ template: (>*)
+end_type
+
+type: lp
+ !lone pair
+ template: (>L (-*))
+end_type
+
+type:c
+ ! generic SP3 carbon
+ template: (>C)
+ atom_test:1
+ hybridization:SP3
+ end_test
+end_type
+
+type: c3
+ ! sp3 carbon with 3 h's 1 heavy
+ template: (>C(-H)(-H)(-H)(-*))
+ atom_test:5
+ disallowed_elements:H
+ end_test
+end_type
+
+type:c2
+ ! sp3 carbon with 2 H's, 2 Heavy's
+ template:(>C(-H)(-H)(-*)(-*))
+ atom_test:4
+ disallowed_elements:H
+ end_test
+ atom_test:5
+ disallowed_elements:H
+ end_test
+end_type
+
+type:co
+ ! sp3 carbon in acetals
+ template:(>C(-O)(-O)(-*)(-*))
+end_type
+
+type:coh
+ ! sp3 carbon in acetals with hydrogen
+ template:(>C(-O)(-O)(-H)(-*))
+end_type
+
+type: c1
+ ! sp3 carbon with 1 H 3 heavies
+ template: (>C(-H)(-*)(-*)(-*))
+ atom_test:3
+ disallowed_elements:H
+ end_test
+ atom_test:4
+ disallowed_elements:H
+ end_test
+ atom_test:5
+ disallowed_elements:H
+ end_test
+end_type
+
+type: c3m
+ ! sp3 carbon in 3-membered ring
+ template: (>C)
+ atom_test:1
+ hybridization:SP3
+ ring:PLANAR(3)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c4m
+ ! sp3 carbon in 4-membered ring
+ template: (>C)
+ atom_test:1
+ hybridization:SP3
+ ring:NON_PLANAR(4)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c4m
+ ! sp3 carbon in 4-membered ring
+ template: (>C)
+ atom_test:1
+ hybridization:SP3
+ ring:PLANAR(4)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c3h
+ ! sp3 carbon in 3-membered ring with hydrogens
+ template: (>C(-H))
+ atom_test:1
+ hybridization:SP3
+ ring:PLANAR(3)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c4h
+ ! sp3 carbon in 4-membered ring with hydrogens
+ template: (>C(-H))
+ atom_test:1
+ hybridization:SP3
+ ring:NON_PLANAR(4)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c4h
+ ! sp3 carbon in 4-membered ring
+ template: (>C(-H))
+ atom_test:1
+ hybridization:SP3
+ ring:PLANAR(4)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type:c_a
+ !general amino acid alpha carbon (sp3)
+ template: (>C(-N(-*))(-C[~O])(~*)(~*))
+end_type
+
+type: cg
+ ! sp3 alpha carbon in glycine
+ template: (>C(-H)(-H)(-C[~O])(-N(-H)))
+end_type
+
+type: c=2
+ ! non aromatic doubly bonded carbon
+ template: (>C(=*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c=
+ ! non aromatic end doubly bonded carbon
+ template: (>C(=*)(-*)(-N(-*)(-*)))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: c=
+ ! non aromatic end doubly bonded carbon
+ template: (>C(=*)(-N(-*)(-*))(-N(-*)(-*)))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+end_type
+
+type: c=
+ ! non aromatic end doubly bonded carbon
+ template: (>C(=*)(-N(-*)(-*))(-C(-*)(-*)(-*)))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+end_type
+
+type: c=
+ ! non aromatic end doubly bonded carbon
+ template: (>C(=*)(-*)(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+ atom_test:4
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: c=
+ ! non aromatic end doubly bonded carbon
+ template: (>C(=*)(-*)(-C))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+ atom_test:4
+ hybridization:SP3
+ end_test
+end_type
+
+type: c=
+ ! non aromatic end doubly bonded carbon
+ template: (>C(=*)(-C)(-C))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+ atom_test:3
+ hybridization:SP3
+ end_test
+ atom_test:4
+ hybridization:SP3
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic, next to end doubly bonded carbon
+ template: (>C(=C(-*)(-N(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic, next to end doubly bonded carbon
+ template:(>C(=C(-N(-*)(-*))(-N(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic, next to end doubly bonded carbon
+ template:(>C(=C(-N(-*)(-*))(-C(-*)(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic, next to end doubly bonded carbon
+ template:(>C(=C(-*)(-*))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+ atom_test:4
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic, next to end doubly bonded carbon
+ template:(>C(=C(-C)(-*))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ hybridization:SP3
+ end_test
+ atom_test:4
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic, next to end doubly bonded carbon
+ template:(>C(=C(-C)(-C))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ hybridization:SP3
+ end_test
+ atom_test:4
+ hybridization:SP3
+ end_test
+end_type
+
+
+type: c=1
+ ! non aromatic carbon doubly bonded to an end nitrogen
+ template: (>C[=N(-N(-*)(-*))](-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic carbon doubly bonded to an end nitrogen
+ template: (>C[=N(-C(-*)(-*)(-*))](-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic carbon doubly bonded to an end nitrogen
+ template: (>C[=N(-*)](-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic carbon doubly bonded to an end nitrogen
+ template: (>C(=N(-N(-*)(-*))(-N(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic carbon doubly bonded to an end nitrogen
+ template: (>C(=N(-C(-*)(-*)(-*))(-C(-*)(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic carbon doubly bonded to an end nitrogen
+ template: (>C(=N(-C(-*)(-*)(-*))(-N(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic carbon doubly bonded to an end nitrogen
+ template: (>C(=N(-*)(-*))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+ atom_test:4
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic carbon doubly bonded to an end nitrogen
+ template: (>C(=N(-*)(-N(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: c=1
+ ! non aromatic carbon doubly bonded to an end nitrogen
+ template: (>C(=N(-*)(-C(-*)(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type:cp
+ ! SP2 aromatic carbon with partial double bond
+ template:(>C)
+ atom_test:1
+ hybridization: SP2
+ aromaticity:AROMATIC
+ end_test
+end_type
+
+type:cp
+ ! This is used for aromatic carbons that fail the aromaticity test because
+ ! the current ring checker is to lame to figure on a ring with more than
+ ! seven or eight sides. The NON_AROMATIC test is to eliminate the conflict
+ ! with the above 'cp' definition. This can be removed when the ring checker
+ ! is made more robust.
+ template: [>C(-*)(:*)(:*)]
+ atom_test:1
+ hybridization:SP2
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: c5
+ ! Sp2 aromatic carbon in 5-membered ring
+ template:(>C)
+ atom_test:1
+ hybridization:SP2
+ aromaticity:AROMATIC
+ ring:PLANAR(5)
+ end_test
+end_type
+
+
+type:ci
+ ! sp2 aromatic carbon in charged imidazole ring (His+)
+ template: (>C(:N(-H)(:C))(:N(-H)(:C)))
+ atom_test:1
+ hybridization:SP2
+ aromaticity:AROMATIC
+ ring:PLANAR(5)
+ end_test
+ atom_test:2
+ hybridization:SP2
+ aromaticity:AROMATIC
+ ring:PLANAR(5)
+ end_test
+ atom_test:4
+ hybridization: SP2
+ aromaticity:AROMATIC
+ ring:PLANAR(5)
+ end_test
+ atom_test:5
+ hybridization:SP2
+ aromaticity:AROMATIC
+ ring:PLANAR(5)
+ end_test
+ atom_test:6
+ hybridization: SP2
+ aromaticity:AROMATIC
+ ring:PLANAR(5)
+ end_test
+
+ atom_test:7
+ hybridization: SP2
+ aromaticity:AROMATIC
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type: ci
+ ! Carbon in charged imidazole ring
+ template:(>C(=N(-C(=C(-N)))(-H)))
+ atom_test:1
+ ring:PLANAR(5)
+ end_test
+ atom_test:2
+ ring:PLANAR(5)
+ end_test
+ atom_test:3
+ ring:PLANAR(5)
+ end_test
+ atom_test:4
+ ring:PLANAR(5)
+ end_test
+ atom_test:5
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type: ci
+ ! Carbon in charged imidazole ring
+ template:(>C(-N(-C(=N(-H)(-C)))))
+ atom_test:1
+ ring:PLANAR(5)
+ end_test
+ atom_test:2
+ ring:PLANAR(5)
+ end_test
+ atom_test:3
+ ring:PLANAR(5)
+ end_test
+ atom_test:4
+ ring:PLANAR(5)
+ end_test
+ atom_test:6
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type: ci
+ ! Carbon in charged imidazole ring
+ template:(>C(=C(-N(-C(=N(-C)(-H))))))
+ atom_test:1
+ ring:PLANAR(5)
+ end_test
+ atom_test:2
+ ring:PLANAR(5)
+ end_test
+ atom_test:3
+ ring:PLANAR(5)
+ end_test
+ atom_test:4
+ ring:PLANAR(5)
+ end_test
+ atom_test:5
+ ring:PLANAR(5)
+ end_test
+ atom_test:6
+ ring:PLANAR(5)
+ end_test
+end_type
+
+
+
+
+type: cs
+ ! SP2 aromatic carbon in 5 membered ring next to S
+ template:(>C(~S))
+ atom_test:1
+ hybridization:SP2
+ aromaticity:AROMATIC
+ ring:PLANAR(5)
+ end_test
+ atom_test:2
+ hybridization:SP2
+ aromaticity:AROMATIC
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type: cr
+ ! c in neutral arginine
+ template: (>C (=N(-*)) (-N(-H)(-H)) (-N(-H)(-H)) )
+end_type
+
+type: c+
+ ! c in guanidinium group
+ template: (>C (=N(-*)(-*)) (-N(-H)(-H)) (-N(-H)(-H)) )
+end_type
+
+type: c+
+ ! c in guanidinium group
+ template: (>C (:N(-*)(-*)) (:N(-H)(-H)) (:N(-H)(-H)) )
+end_type
+
+type: c-
+ ! c in charged carboxylate
+ template: [>C[:O][:O](-*)]
+end_type
+
+type: c-
+ ! c in charged carboxylate
+ ! How do we indicate that the second O has nothing bonded to it ?
+ ! what makes it not match COOH ?
+ template: [>C[=O][-O](-*)]
+end_type
+
+type: ct
+ ! sp carbon involved in a triple bond
+ template: (>C(#*))
+end_type
+
+type: na
+ ! sp3 nitrogen in amines
+ template: (>N (-*)(-*)(-*))
+ atom_test:1
+ hybridization:SP3
+ end_test
+end_type
+
+
+type: n+
+ ! sp3 nitrogen in protonated amines
+ template: (>N(-H)(-*)(-*)(-*))
+ atom_test:1
+ hybridization:SP3
+ end_test
+end_type
+
+type: n4
+ ! sp3 nitrogen with 4 substituents
+ template: (>N(-*)(-*)(-*)(-*))
+ atom_test:1
+ hybridization:SP3
+ end_test
+ atom_test:2
+ disallowed_elements:H
+ end_test
+ atom_test:3
+ disallowed_elements:H
+ end_test
+ atom_test:4
+ disallowed_elements:H
+ end_test
+ atom_test:5
+ disallowed_elements:H
+ end_test
+end_type
+
+type: nb
+ ! sp2 nitrogen in aromatic amines
+ template: (>N(~C)(-*)(-*))
+ atom_test: 1
+ hybridization: SP2
+ Aromaticity:NON_AROMATIC
+ end_test
+ atom_test: 2
+ hybridization: SP2
+ Aromaticity: AROMATIC
+ end_test
+end_type
+
+type: nb
+ ! sp2 nitrogen in aromatic amines
+ template: (>N(~C(:*)(:*))(-*)(-*))
+ atom_test: 1
+ hybridization: SP2
+ Aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ hybridization: SP2
+ Aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: n
+ ! generic sp2 nitrogen (in amids))
+ template: (>N(-*))
+ atom_test: 1
+ hybridization: SP2
+ aromaticity: NON_AROMATIC
+ end_test
+end_type
+
+type: n3m
+ ! sp3 nitrogen in 3- membered ring
+ template: (>N(-*)(-*)(-*))
+ atom_test: 1
+ hybridization: SP3
+ aromaticity: NON_AROMATIC
+ ring:PLANAR(3)
+ end_test
+end_type
+
+type: n4m
+ ! sp3 nitrogen in 4- membered ring
+ template: (>N(-*)(-*)(-*))
+ atom_test: 1
+ hybridization: SP3
+ aromaticity: NON_AROMATIC
+ ring:PLANAR(4)
+ end_test
+end_type
+
+type: n4m
+ ! sp3 nitrogen in 4- membered ring
+ template: (>N(-*)(-*)(-*))
+ atom_test: 1
+ hybridization: SP3
+ aromaticity: NON_AROMATIC
+ ring:NON_PLANAR(4)
+ end_test
+end_type
+
+type: n3n
+ ! sp2 nitrogen in 3- membered ring
+ template: (>N(~*)(-*)(-*))
+ atom_test: 1
+ hybridization: SP2
+ aromaticity: NON_AROMATIC
+ ring:PLANAR(3)
+ end_test
+end_type
+
+type: n4n
+ ! sp2 nitrogen in 3- membered ring
+ template: (>N(~*)(-*)(-*))
+ atom_test: 1
+ hybridization: SP2
+ aromaticity: NON_AROMATIC
+ ring:PLANAR(4)
+ end_test
+end_type
+
+type: n4n
+ ! sp2 itrogen in 4- membered ring
+ template: (>N(~*)(-*)(-*))
+ atom_test: 1
+ hybridization: SP2
+ aromaticity: NON_AROMATIC
+ ring:NON_PLANAR(4)
+ end_test
+end_type
+
+type: np
+ ! sp2 nitrogen in 5- or 6- membered ring
+ ! not bonded to hydrogen
+ template: [>N(~*)(~*)]
+ atom_test:1
+ hybridization:SP2
+ aromaticity:AROMATIC
+ end_test
+atom_test:2
+ disallowed_elements:P H
+ end_test
+atom_test:3
+ disallowed_elements:P H
+ end_test
+end_type
+
+type: np
+ ! sp2 nitrogen in 5- or 6- membered ring
+ ! not bonded to hydrogen
+ template: [>N(:*)(:*)]
+ atom_test:1
+ hybridization: SP2
+ aromaticity:NON_AROMATIC
+ end_test
+atom_test:2
+ hybridization: SP2
+ aromaticity:NON_AROMATIC
+ disallowed_elements:P H
+ end_test
+atom_test:3
+ hybridization: SP2
+ aromaticity:NON_AROMATIC
+ disallowed_elements:P H
+ end_test
+end_type
+
+type: npc
+ ! sp2 nitrogen in 5- or 6- membered ring
+ ! bonded to a heavy atom
+ template: [>N(~*)(~*)(~*)]
+ atom_test:1
+ hybridization:SP2
+ aromaticity:AROMATIC
+ end_test
+atom_test:2
+ disallowed_elements:H
+ end_test
+atom_test:3
+ disallowed_elements:H
+ end_test
+atom_test:4
+ disallowed_elements:H
+ end_test
+end_type
+
+type: npc
+ ! sp2 nitrogen in 5- or 6- membered ring
+ ! bonded to a heavy atom
+ template: [>N(:*)(:*)(~*)]
+ atom_test:1
+ hybridization: SP2
+ aromaticity:NON_AROMATIC
+ end_test
+atom_test:2
+ hybridization: SP2
+ aromaticity:NON_AROMATIC
+ disallowed_elements:H
+ end_test
+atom_test:3
+ hybridization: SP2
+ aromaticity:NON_AROMATIC
+ disallowed_elements:H
+ end_test
+atom_test:4
+ disallowed_elements:H
+ end_test
+end_type
+
+type: nh
+ ! sp2 nitrogen in 5-or 6- membered ring
+ ! with hydrogen attached
+ template: (>N(-H))
+ atom_test: 1
+ hybridization: SP2
+ aromaticity: AROMATIC
+ end_test
+end_type
+
+type: nh+
+ ! protonated nitrogen in 6- membered ring
+ ! with hydrogen attached
+ template: (>N(-H))
+ atom_test: 1
+ hybridization: SP2
+ aromaticity: AROMATIC
+ ring:PLANAR(6)
+ end_test
+end_type
+
+type: nho
+ ! sp2 nitrogen in 6- membered ring
+ ! next to a carbonyl group and with a hydrogen
+ ! attached
+ template: (>N(~C[=O])(-H))
+ atom_test: 1
+ hybridization: SP2
+ aromaticity: AROMATIC
+ ring:PLANAR(6)
+ end_test
+end_type
+
+type: nho
+ ! sp2 nitrogen in 6- membered ring
+ ! next to a carbonyl group and with a hydrogen
+ ! attached
+ template: (>N(~C[:O])(-H))
+ atom_test: 1
+ hybridization: SP2
+ aromaticity: AROMATIC
+ ring:PLANAR(6)
+ end_test
+end_type
+
+
+type: n2
+ !sp2 nitrogen (NH2) in guanidinium group (HN=C(NH2)2)
+ template: (>N(-H)(-H)(-C(=N(-*))(-N(-H)(-H))))
+ atom_test: 1
+ aromaticity: NON_AROMATIC
+ hybridization:SP2
+ end_test
+end_type
+
+type: n=2
+ ! sp2 nitrogen in neutral arginine (double bond)
+ template: (>N(=*))
+ atom_test: 1
+ hybridization:SP2
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: n=
+ ! non aromatic end double bonded nitrogen
+ template: [>N(=*)(-N(-*)(-*))]
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+end_type
+
+type: n=
+ ! non aromatic end double bonded nitrogen
+ template: [>N(=*)(-C(-*)(-*)(-*))]
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+end_type
+
+type: n=
+ ! non aromatic end double bonded nitrogen
+ template: [>N(=*)(-*)]
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: n=
+ ! non aromatic end double bonded nitrogen
+ template: (>N(=*)(-N(-*)(-*))(-N(-*)(-*)))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+end_type
+
+type: n=
+ ! non aromatic end double bonded nitrogen
+ template: (>N(=*)(-C(-*)(-*)(-*))(-C(-*)(-*)(-*)))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+end_type
+
+type: n=
+ ! non aromatic end double bonded nitrogen
+ template: (>N(=*)(-C(-*)(-*)(-*))(-N(-*)(-*)))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+end_type
+
+type: n=
+ ! non aromatic end double bonded nitrogen
+ template: (>N(=*)(-*)(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+ atom_test:4
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: n=
+ ! non aromatic end double bonded nitrogen
+ template: (>N(=*)(-*)(-N(-*)(-*)))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: n=
+ ! non aromatic end double bonded nitrogen
+ template: (>N(=*)(-*)(-C(-*)(-*)(-*)))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:2
+ disallowed_elements:O,S
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: n=
+ ! phosphazene nitrogen
+ template: [>N(:P)(:P)]
+end_type
+
+type: n=1
+ ! non aromatic, next to end doubly bonded carbon
+ template: (>N(=C(-*)(-N(-*)(-*))))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: n=1
+ ! non aromatic, next to end doubly bonded carbon
+ template:(>N(=C(-N(-*)(-*))(-N(-*)(-*))))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: n=1
+ ! non aromatic, next to end doubly bonded carbon
+ template:(>N(=C(-N(-*)(-*))(-C(-*)(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: n=1
+ ! non aromatic, next to end doubly bonded carbon
+ template:(>N(=C(-*)(-*))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+ atom_test:4
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: n=1
+ ! non aromatic, next to end doubly bonded carbon
+ template:(>N(=C(-C)(-*))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ hybridization:SP3
+ end_test
+ atom_test:4
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: n=1
+ ! non aromatic, next to end doubly bonded carbon
+ template:(>N(=C(-C)(-C))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ hybridization:SP3
+ end_test
+ atom_test:4
+ hybridization:SP3
+ end_test
+end_type
+
+
+type: n=1
+ ! non aromatic nitrogen doubly bonded to an end nitrogen
+ template: (>N(=N(-N(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: n=1
+ ! non aromatic nitrogen doubly bonded to an end nitrogen
+ template: (>N(=N(-C(-*)(-*)(-*)))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: n=1
+ ! non aromatic nitrogen doubly bonded to an end nitrogen
+ template: (>N(=N(-*))(-*))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:3
+ disallowed_elements:N,C
+ end_test
+end_type
+
+type: n1
+ !sp2 nitrogen in charged arginine
+ template: (>N(-*)(-*)(=C(-N(-H)(-H))(-N(-H)(-H))))
+ atom_test:1
+ hybridization:SP2
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+
+type: ni
+ ! Nitrogen in charged imidazole ring
+ template:(>N(-H)(:C)(:C(:N(-H))))
+ atom_test:1
+ ring:PLANAR(5)
+ end_test
+ atom_test:3
+ ring:PLANAR(5)
+ end_test
+ atom_test:4
+ ring:PLANAR(5)
+ end_test
+ atom_test:5
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type: ni
+ ! Nitrogen in charged imidazole ring
+ template:[>N(=C(-N(-C(=C))))(-H)(-C)]
+ atom_test:1
+ ring:PLANAR(5)
+ end_test
+ atom_test:2
+ ring:PLANAR(5)
+ end_test
+ atom_test:3
+ ring:PLANAR(5)
+ end_test
+ atom_test:4
+ ring:PLANAR(5)
+ end_test
+ atom_test:5
+ ring:PLANAR(5)
+ end_test
+ atom_test:7
+ ring:PLANAR(5)
+ end_test
+end_type
+
+
+type: ni
+ ! Nitrogen in charged imidazole ring
+ template:(>N(-C(=C(-N(=C)(-H))))(-C)(-*))
+ atom_test:1
+ ring:PLANAR(5)
+ end_test
+ atom_test:2
+ ring:PLANAR(5)
+ end_test
+ atom_test:3
+ ring:PLANAR(5)
+ end_test
+ atom_test:4
+ ring:PLANAR(5)
+ end_test
+ atom_test:5
+ ring:PLANAR(5)
+ end_test
+ atom_test:7
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type:nt
+ ! sp nitrogen involved in a triple bond
+ template:(>N(#*))
+end_type
+
+type:nz
+ ! sp nitrogen in N2
+ template:[>N[#N]]
+end_type
+
+type:o
+ ! generic SP3 oxygen in alcohol, ether,or acid group
+ template (>O)
+ atom_test:1
+ end_test
+end_type
+
+type oh
+ ! oxygen bonded to hydrogen
+ template: (>O(-H)(-*))
+end_type
+
+type:oc
+ ! SP3 oxygen in ether or acetals
+ template (>O(-C)(-C))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type:oe
+ ! SP3 oxygen in ester
+ template (>O(-C(=O))(-C))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type:oe
+ ! SP3 oxygen in ester
+ template (>O(:C[:O])(-C))
+ atom_test:1
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type:o3e
+ ! SP3 oxygen in three membered ring
+ template (>O(-C)(-C))
+ atom_test:1
+ ring:PLANAR(3)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type:o4e
+ ! SP3 oxygen in non-planar four membered ring
+ template (>O(-C)(-C))
+ atom_test:1
+ ring:NON_PLANAR(4)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type:o4e
+ ! SP3 oxygen in planar four memberedd ring
+ template (>O(-C)(-C))
+ atom_test:1
+ ring:PLANAR(4)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type: o=
+ ! oxygen double bonded to O, N,C,S,P
+ template: (>O(=*))
+ atom_test:2
+ allowed_elements: O,N,C,S,P
+ end_test
+end_type
+
+type: o-
+ ! partial double oxygen bonded to something then bonded to
+ ! another partial double oxygen
+ template: [>O(:*[:O])]
+ atom_test:2
+ allowed_elements: C,P
+ end_test
+end_type
+
+type: o-
+ ! double bonded oxygen in charged carboxylate COO-
+ ! or charged phosphate POO-
+ template: [>O(=*[-O])]
+ atom_test:2
+ allowed_elements: C,P
+ end_test
+end_type
+
+type: o-
+ ! single bonded oxygen in charged carboxylate COO-
+ ! or charged phosphate POO-
+ template: [>O[-*[=O]]]
+ atom_test:2
+ allowed_elements: C,P
+ end_test
+end_type
+
+type: op
+ ! SP2 aromatic in 5 membered ring
+ template:(>O)
+ atom_test:1
+ hybridization: SP2
+ aromaticity:AROMATIC
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type: op
+ ! SP2 aromatic in 5 membered ring
+ template:(>O(:*)(:*))
+ atom_test:1
+ hybridization:SP2
+ aromaticity:NON_AROMATIC
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type: o*
+ !oxygen in water
+ template (>O(-H)(-H))
+end_type
+
+type:h
+ ! generic hydrogen
+ template: (>H (-*) )
+ atom_test:2
+ allowed_elements:C,Si,H
+ end_test
+end_type
+
+type:hc
+ ! hydrogen bonded to carbon
+ template: (>H (-C) )
+end_type
+
+type:hs
+ ! hydrogen bonded to sulfur
+ template: (>H (-S) )
+end_type
+
+type:hsi
+ ! hydrogen bonded to silicon
+ template: (>H (-Si) )
+end_type
+
+type:hp
+ ! hydrogen bonded to phosphorus
+ template: (>H (-P) )
+end_type
+
+type:h*
+ ! hydrogen bonded to fluorine, nitrogen, Oxygen
+ template: (>H(-*))
+ atom_test:2
+ allowed_elements:O,N,F
+ end_test
+end_type
+
+type:ho
+ ! hydrogen bonded to oxygen
+ template: (>H(-O))
+end_type
+
+type: hi
+ ! Hydrogen in charged imidazole ring
+ template:(>H(-N(:C)(:C(:N(-*)))))
+ atom_test:2
+ ring:PLANAR(5)
+ end_test
+ atom_test:3
+ ring:PLANAR(5)
+ end_test
+ atom_test:4
+ ring:PLANAR(5)
+ end_test
+ atom_test:5
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type: hi
+ ! Hydrogen in charged imidazole ring
+ template:(>H(-N(=C(-N(-H)(-C(=C))))(-C)))
+ atom_test:2
+ ring:PLANAR(5)
+ end_test
+ atom_test:3
+ ring:PLANAR(5)
+ end_test
+ atom_test:4
+ ring:PLANAR(5)
+ end_test
+ atom_test:6
+ ring:PLANAR(5)
+ end_test
+ atom_test:7
+ ring:PLANAR(5)
+ end_test
+ atom_test:8
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type: hi
+ ! Hydrogen in charged imidazole ring
+ template:(>H(-N(-C(=C(-N(=C)(-H))))(-C)))
+ atom_test:2
+ ring:PLANAR(5)
+ end_test
+ atom_test:3
+ ring:PLANAR(5)
+ end_test
+ atom_test:4
+ ring:PLANAR(5)
+ end_test
+ atom_test:5
+ ring:PLANAR(5)
+ end_test
+ atom_test:6
+ ring:PLANAR(5)
+ end_test
+ atom_test:8
+ ring:PLANAR(5)
+ end_test
+end_type
+
+type:hw
+ ! hydrogen in water
+ template: (>H(-O(-H)))
+end_type
+
+
+type:hn
+ ! hydrogen bonded to nitrogen
+ template: (>H (-N) )
+end_type
+
+type:h+
+ ! charged hydrogen in cations
+ template: (>H (-N(-*)(-*)(-*)) )
+end_type
+
+type:dw
+ ! deuterium in heivy water
+ template: (>D(-O(-D)))
+end_type
+
+
+type:s
+ ! sp3 sulfur
+ template: (>S)
+end_type
+
+type:sc
+ ! sp3 sulfur in methionines (C-S-C) group
+ template: (>S(-C)(-C))
+end_type
+
+type:s3e
+ ! sulfur in three membered ring
+ template (>S(-C)(-C))
+ atom_test:1
+ ring:PLANAR(3)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type:s4e
+ ! sulfur in four membered ring
+ template (>S(-C)(-C))
+ atom_test:1
+ ring:PLANAR(4)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type:s4e
+ ! sulfur in three membered ring
+ template (>S(-C)(-C))
+ atom_test:1
+ ring:NON_PLANAR(4)
+ aromaticity:NON_AROMATIC
+ end_test
+end_type
+
+type:s1
+ ! sp3 sulfur involved in (S-S) group of disulfides
+ template: (>S(-S))
+end_type
+
+type:sh
+ ! sp3 sulfur in sulfhydryl (-SH) group (e.g. cysteine)
+ template: (>S(-H)(-*))
+ atom_test:3
+ disallowed_elements:S
+ end_test
+end_type
+
+type: sp
+ ! sulfur in an aromatic ring (e.g. thiophene)
+ template: (>S)
+ atom_test:1
+ aromaticity: AROMATIC
+ hybridization:SP2
+ ring: PLANAR(5)
+ end_test
+end_type
+
+type: sp
+ ! sulfur in an aromatic ring (e.g. thiophene)
+ template: (>S(:*)(:*))
+ atom_test:1
+ hybridization:SP2
+ aromaticity:NON_AROMATIC
+ ring: PLANAR(5)
+ end_test
+end_type
+
+type: s'
+ ! S in thioketone group
+ template: (>S(=*))
+ atom_test:2
+ allowed_elements: C,P,N,O
+ end_test
+end_type
+
+type: sf
+ ! S in sulfonate group
+ template: (>S(=O)(=O)(-*)(-*))
+ atom_test:1
+ hybridization:SP3
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test:4
+ disallowed_elements:S
+ end_test
+ atom_test:5
+ disallowed_elements:S
+ end_test
+end_type
+
+type: s-
+ ! partial double sulfur bonded to something then bonded to
+ ! another partial double oxygen or sulfur
+ template: [>S(:*[:*])]
+ atom_test:2
+ allowed_elements: C,P
+ end_test
+ atom_test:3
+ allowed_elements: O,S
+ end_test
+end_type
+
+type: s-
+ ! double bonded sulfur in charged phosphate PSS- or PSO-
+ template: [>S(=*[-*])]
+ atom_test:2
+ allowed_elements: C,P
+ end_test
+ atom_test:3
+ allowed_elements: O,S
+ end_test
+end_type
+
+type: s-
+ ! single bonded sulfur in charged phosfur PSS- or PSO-
+ template: [>S[-*[=*]]]
+ atom_test:2
+ allowed_elements: C,P
+ end_test
+ atom_test:3
+ allowed_elements: O,S
+ end_test
+end_type
+
+
+type: ca+
+ ! calcium ion
+ template: [>Ca]
+end_type
+
+type: f
+ !fluorine atom
+ template: (>F (-*))
+end_type
+
+type: cl
+ !chlorine atom
+ template: (>Cl (-*))
+end_type
+
+type: Cl
+ !chlorine ion
+ template: [>Cl]
+end_type
+
+type: br
+ !bromine atom
+ template: (>Br (-*))
+end_type
+
+type: Br
+ !bromine ion
+ template: [>Br]
+end_type
+
+type: i
+ !iodine atom
+ template: (>I (-*))
+end_type
+
+type: p
+ ! General phosphorous atom
+ template: (>P)
+end_type
+
+type: p=
+ ! phopsphorous with double bond
+ template: [>P (=*) (-*) (-*) (-*)]
+ atom_test: 2
+ allowed_elements: O,S,N
+ end_test
+end_type
+
+type: p=
+ ! phopsphorous with double bond
+ template: [>P (:N) (:N) (-*) (-*)]
+end_type
+
+type: si
+ !silicon atom
+ template: (>Si)
+end_type
+
+!
+! THE FOLLOWING DEFINITIONS ARE TAKEN FROM PFF
+!
+
+type: o_1
+ ! carbonyl oxygen
+ template: (>O (=C(~*)(~*)) )
+end_type
+
+type: oo
+ ! carbonyl oxygen of carbonates
+ template: (>O (=C(-O)(-O)) )
+end_type
+
+type: o_2
+ ! ester oxygen
+ template: (>O (-C (=O)) (-*))
+ atom_test: 4
+ allowed_elements: C, H
+ end_test
+end_type
+
+type: oz
+ ! ester oxygen in carbonate
+ template: (>O (-C (=O)(-O)) (-*))
+ atom_test: 5
+ allowed_elements: C, H
+ end_test
+end_type
+
+type:c_0
+ ! aldehydes and ketones carbonyl carbon
+ template: (>C (=O) (-*) (-*))
+ atom_test:1
+ hybridization:sp2
+ end_test
+ atom_test:2
+ allowed_elements: O,S
+ end_test
+ atom_test:3
+ allowed_elements: C, H
+ end_test
+ atom_test:4
+ allowed_elements: C, H
+ end_test
+end_type
+
+type:c_1
+ ! amide, acid and ester carbonyl carbon
+ template: (>C (=O) (~*) (~*))
+ atom_test:1
+ hybridization:sp2
+ end_test
+ atom_test:2
+ allowed_elements: O,S
+ end_test
+ atom_test:3
+ allowed_elements: C, H
+ end_test
+ atom_test:4
+ allowed_elements: O, N
+ end_test
+end_type
+
+type:c_2
+ ! carbamate, urea carbonyl carbon
+ template: (>C (=O) (~*) (~*))
+ atom_test:1
+ hybridization:sp2
+ end_test
+ atom_test:3
+ allowed_elements: N
+ end_test
+ atom_test:4
+ allowed_elements: O, N
+ end_test
+end_type
+
+type:cz
+ ! carbonate carbonyl carbon
+ template: (>C (=O) (-O) (-O))
+ atom_test:1
+ hybridization:sp2
+ end_test
+end_type
+
+type: n_2
+ ! nitrogen in carbamate
+ template: (>N (~C(=O)) (-H) (~*))
+ atom_test: 1
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test: 5
+ allowed_elements: C, H
+ end_test
+end_type
+
+type:hn2
+ ! hydrogen bonded to nitrogen
+ template: (>H (-N (~C(=O)(-*)) (~*)))
+ atom_test: 2
+ aromaticity:NON_AROMATIC
+ end_test
+ atom_test: 5
+ allowed_elements: O, N, C, H
+ end_test
+ atom_test: 6
+ allowed_elements: C, H
+ end_test
+end_type
+
+type:ho2
+ ! hydroxyl hydrogen
+ template: (>H (-O (-C(=O)) ) )
+end_type
+
+type: osi
+ ! oxygen in siloxane
+ template: (>O (-Si) (-*) )
+ atom_test: 3
+ allowed_elements: Si, H
+ end_test
+end_type
+
+type: sio
+ ! siloxane silicon
+ template: (>SI (-O) (-*) (-*) (-*) )
+ atom_test: 3
+ allowed_elements: O, C, H
+ end_test
+ atom_test: 4
+ allowed_elements: O, C, H
+ end_test
+ atom_test: 5
+ allowed_elements: O, C, H
+ end_test
+end_type
+
+type: he
+ ! Helium
+ template: (>He)
+end_type
+
+type: ne
+ ! Neon atom
+ template: (>Ne)
+end_type
+
+type: ar
+ ! Argon atom
+ template: (>Ar)
+end_type
+
+type: kr
+ ! Krypton atom
+ template: (>Kr)
+end_type
+
+type: xe
+ ! Xenon atom
+ template: (>Xe)
+end_type
+
+type: sz
+ ! silicon atom in zeolites (SiO4 tetrahedron)
+ template: (>Si(-O)(-O)(-O)(-O))
+end_type
+
+type: az
+ ! aluminium atom in zeolites (AlO4 tetrahedron)
+ template: (>Al(-O)(-O)(-O)(-O))
+end_type
+
+type:ob
+ ! oxygen in a Al-(OH)-Si bridge
+ template: [>O(-Al)(-Si)(-H)]
+end_type
+
+type:oas
+ ! oxygen in an Al-O-Si bridge
+ template: [>O(-Al)(-Si)]
+end_type
+
+type:oss
+ ! oxygen in a Si-O-Si bridge
+ template: [>O(-Si(-O)(-O)(-O))(-Si(-O)(-O)(-O))]
+end_type
+
+type:osh
+ ! oxygen in silanol groups
+ template: [>O(-Si(-O)(-O)(-O))(-H)]
+end_type
+
+type:oah
+ ! oxygen in AlOH groups
+ template: [>O(-Al)(-H)]
+end_type
+
+type:hos
+ ! hydrogen in silanol groups
+ template: (>H [-O(-Si(-O)(-O)(-O))] )
+end_type
+
+type:hoa
+ ! hydrogen in AlOH groups
+ template: (>H [-O(-Al)] )
+end_type
+
+type:hb
+ ! hydrogen in bridging OH groups
+ template: (>H [-O(-Al)(-Si)] )
+end_type
+
+type: Al
+ ! Aluminium Metal
+ template: (>Al)
+end_type
+
+type: Na
+ ! Sodium Metal
+ template: (>Na)
+end_type
+
+type: Pt
+ ! Platinum Metal
+ template: (>Pt)
+end_type
+
+type: Pd
+ ! Palladium Metal
+ template: (>Pd)
+end_type
+
+type: Au
+ ! Gold Metal
+ template: (>Au)
+end_type
+
+type: Ag
+ ! Silver Metal
+ template: (>Ag)
+end_type
+
+type: Sn
+ ! Tin Metal
+ template: (>Sn)
+end_type
+
+type: K
+ ! Potassium Metal
+ template: (>K)
+end_type
+
+type: Li
+ ! Lithium Metal
+ template: (>Li)
+end_type
+
+type: Mo
+ ! Molybdenum Metal
+ template: (>Mo)
+end_type
+
+type: Fe
+ ! Iron Metal
+ template: (>Fe)
+end_type
+
+type: W
+ ! Tungsten Metal
+ template: (>W)
+end_type
+
+type: Ni
+ ! Nickel Metal
+ template: (>Ni)
+end_type
+
+type: Cr
+ ! Chromium Metal
+ template: (>Cr)
+end_type
+
+type: Cu
+ ! Copper Metal
+ template: (>Cu)
+end_type
+
+type: Pb
+ ! Lead Metal
+ template: (>Pb)
+end_type
+
+
+precedence:
+(?
+ (h(hsi)(hc))
+ (hs)
+ (hp)
+ (h*(ho(hw)(ho2)(hos)(hoa)(hb))(hn(hn2)(h+(hi))(hi)))
+ (cp(c5(ci(c_0)(c_1)(c_2)(cz))(c_0)(c_1)(c_2)(cz)(cs(c_0)(c_1)(c_2)(cz)))(c_0)(c_1)(c_2)(cz)(c-))
+ (c=2(ci(c_0)(c_1)(c_2)(cz))(c_0)(c_1)(c_2)(cz)(c-) (cr(c+))) (cr(c+)) (c+)
+ (c=2(c=1(c=(cr(c+))))(c=(cr(c+)))(cr(c+)))
+ (c_0)(c_1)(c_2)(cz)(c-)(ct)(ci)
+ (c(c1(c_a(c3m(c3h))(c4m(c3m)(c4h(c3h))))(co(coh))(c3m(c3h))(c4m(c3m)(c4h(c3h)))))
+ (c(c2(c_a(cg(c3m(c3h))(c4m(c3m)(c4h(c3h)))))(co(coh))(c3m(c3h))(c4m(c3m)(c4h(c3h)))))
+ (c(c3)(c_a(c3m(c3h))(c4m(c3m)(c4h(c3h))))(co(coh))(c3m(c3h))(c4m(c3m)(c4h(c3h))))
+ (o(osi(oss)(osi(osh)))(oas)(oh(o_2(oz))(o*)(osi(ob))(osi(oss)(osh(osi)))(oas)(oah))(oc(oe(o_2(oz)))(o3e)(o4e))(oe(o_2(oz)))(o3e)(o4e)(op)(o=(o-)(o_1(oo)))(o-))(o3e)(o4e)(op)(o=(o-))(o-)(oh(o_2(oz)))
+ (na(n+)(n4)(n3m)(n4m)) (n(n3n)(n4n)(nb(n_2)(n3n)(n4n))) (nb(n_2)(n3n)(n4n))
+ (np) (nh(ni)(nh+(nho))) (n2) (ni) (nt(nz)) (na(npc)) (npc) (n(npc))
+ (n(np(ni))(nh(ni)(nh+(nho)))(ni)(n2)(nb(n_2)(np(ni))(nh(ni)(nh+(nho)))(ni)))
+ (n=2(n=1(n=(n1)))(n=(n1))(n1))(n1)
+ (n(n_2)(n=2(n=1(n=(n1)))(n=(n1)))(n1))(n1)
+ (n=)
+ (s(sc(s'(sf))(sp)(s3e)(s4e)(sh(s'(sf))(s3e)(s4e))(s1(s3e)(s4e)))(sh(s'(sf))(s3e)(s4e))(s1(s3e)(s4e))(s'(sf))(sp))
+ (p(p=))
+ (si(sio(sz)))
+ (ca+)
+ (f)
+ (cl)(Cl)
+ (br)(Br)
+ (i)
+ (he)
+ (ne)
+ (ar)
+ (kr)
+ (xe)
+ (lp)
+ (dw)
+ (Al(az))
+ (Na)
+ (Pt)
+ (Pd)
+ (Au)
+ (Ag)
+ (Sn)
+ (K)
+ (Li)
+ (Mo)
+ (Fe)
+ (W)
+ (Ni)
+ (Cr)
+ (Cu)
+ (Pb)
+)
+end_precedence
+
diff --git a/tools/msi2lmp/src/CheckLists.c b/tools/msi2lmp/src/CheckLists.c
new file mode 100644
index 0000000000..870f1dcf70
--- /dev/null
+++ b/tools/msi2lmp/src/CheckLists.c
@@ -0,0 +1,41 @@
+#include "Msi2LMP2.h"
+
+void CheckLists() {
+ int i,j,k,ic_type;
+
+ for (i=0; i < total_no_bonds; i++) {
+ if ((atoms[bonds[i].members[0]].type != bondtypes[bonds[i].type].types[0])
+ || (atoms[bonds[i].members[1]].type != bondtypes[bonds[i].type].types[1])) {
+ fprintf(stderr,"Warning atom types in bond %d are inconsistent with bond type %d\n",i,bonds[i].type);
+ }
+ }
+
+ for (i=0; i < total_no_angles;i++) {
+ if ( (atoms[angles[i].members[0]].type != angletypes[angles[i].type].types[0])
+ || (atoms[angles[i].members[1]].type != angletypes[angles[i].type].types[1])
+ || (atoms[angles[i].members[2]].type != angletypes[angles[i].type].types[2]))
+ {
+ fprintf(stderr,"Warning atom types in angle %d are inconsistent with angle type %d\n", i,angles[i].type);
+ }
+ }
+
+ for (i=0; i < total_no_dihedrals; i++) {
+ if ( (atoms[dihedrals[i].members[0]].type != dihedraltypes[dihedrals[i].type].types[0])
+ || (atoms[dihedrals[i].members[1]].type != dihedraltypes[dihedrals[i].type].types[1])
+ || (atoms[dihedrals[i].members[2]].type != dihedraltypes[dihedrals[i].type].types[2])
+ || (atoms[dihedrals[i].members[3]].type != dihedraltypes[dihedrals[i].type].types[3])) {
+ fprintf(stderr,"Warning atom types in dihedral %d are inconsistent with dihedral type %d\n",i,dihedrals[i].type);
+ }
+ }
+
+ for (i=0; i < total_no_oops; i++) {
+
+ if ( (atoms[oops[i].members[0]].type != ooptypes[oops[i].type].types[0])
+ || (atoms[oops[i].members[1]].type != ooptypes[oops[i].type].types[1])
+ || (atoms[oops[i].members[2]].type != ooptypes[oops[i].type].types[2])
+ || (atoms[oops[i].members[3]].type != ooptypes[oops[i].type].types[3]))
+ {
+ fprintf(stderr,"Warning atom types in oop %d are inconsistent with oop type %d\n",i,oops[i].type);
+ }
+ }
+}
diff --git a/tools/msi2lmp/src/Forcefield.h b/tools/msi2lmp/src/Forcefield.h
new file mode 100644
index 0000000000..c67d75d4e4
--- /dev/null
+++ b/tools/msi2lmp/src/Forcefield.h
@@ -0,0 +1,47 @@
+/******************************
+*
+* This is the header file for the routine that reads the forcefield file
+* into memory in order to speed up searching.
+*
+* It defines the data structures used to store the force field in memory
+*/
+
+#include <stdio.h>
+#include <string.h>
+#include <stddef.h>
+#include <stdlib.h>
+
+
+#ifdef FF_MAIN
+#define _EX
+#else
+#define _EX extern
+#endif
+
+#define MAX_NO_MEMS 5
+#define MAX_NO_PARAMS 8
+#define MAX_LINE 200
+
+struct FrcFieldData
+{
+ float ver; /* Version number of forcefield entry */
+ int ref; /* Reference within forcefield */
+ char ff_types[MAX_NO_MEMS][5];
+ double ff_param[MAX_NO_PARAMS];
+};
+
+struct FrcFieldItem
+{
+ char keyword[25];
+ int number_of_members; /* number of members of item */
+ int number_of_parameters; /* number of parameters of item */
+ int entries; /* number of entries in item list */
+ struct FrcFieldData *data; /* contains all eqiuv and param data */
+};
+
+_EX struct FrcFieldItem ff_atomtypes, equivalence, \
+ ff_vdw,ff_bond, ff_ang, ff_tor, ff_oop, \
+ ff_bonbon, ff_bonang, ff_angtor, ff_angangtor, \
+ ff_endbontor, ff_midbontor, ff_angang, ff_bonbon13;
+
+#undef _EX
diff --git a/tools/msi2lmp/src/GetParameters.c b/tools/msi2lmp/src/GetParameters.c
new file mode 100644
index 0000000000..c06efc270d
--- /dev/null
+++ b/tools/msi2lmp/src/GetParameters.c
@@ -0,0 +1,1323 @@
+#include "Msi2LMP2.h"
+#include "Forcefield.h"
+
+int find_improper_body_data(char [][5],struct FrcFieldItem,int *);
+void rearrange_improper(int,int);
+int find_trigonal_body_data(char [][5],struct FrcFieldItem);
+int find_angleangle_data(char [][5],struct FrcFieldItem,int[]);
+int find_match(int, char [][5],struct FrcFieldItem,int *);
+int match_types(int,int,char [][5],char [][5],int *);
+double get_r0(int,int);
+double get_t0(int,int,int);
+int quo_cp();
+void get_equivs(int,char [][5],char[][5]);
+int find_equiv_type(char[]);
+
+/**********************************************************************/
+/* */
+/* GetParameters is a long routine for searching the forcefield */
+/* parameters (read in by ReadFrcFile) for parameters corresponding */
+/* to the different internal coordinate types derived by MakeLists */
+/* */
+/**********************************************************************/
+
+/* #define PRINT_DATA */
+/* #define PRINT_USE_EQUIV */
+
+void GetParameters(int Forcefield)
+{
+ int i,j,k,backwards,cp_type,rearrange;
+ int kloc[3],multiplicity;
+ char potential_types[4][5];
+ char equiv_types[4][5];
+ double rab,rbc,rcd,tabc,tbcd,tabd,tcbd;
+
+ if (pflag > 1) fprintf(stderr," Try Atom Equivalences if needed\n");
+
+/**********************************************************************/
+/* */
+/* Find masses of atom types */
+/* */
+/**********************************************************************/
+
+
+ for (i=0; i < no_atom_types; i++) {
+ backwards = -1;
+ strncpy(potential_types[0],atomtypes[i].potential,5);
+ k = find_match(1,potential_types,ff_atomtypes,&backwards);
+ if (k < 0) {
+ fprintf(stderr,"Unable to find mass for %s\n",atomtypes[i].potential);
+ }
+ else {
+ atomtypes[i].mass = ff_atomtypes.data[k].ff_param[0];
+ }
+ }
+
+
+/**********************************************************************/
+/* */
+/* Find VDW parameters for atom types */
+/* */
+/**********************************************************************/
+
+ for (i=0; i < no_atom_types; i++) {
+ backwards = 0;
+ for (j=0; j < 2; j++) atomtypes[i].params[j] = 0.0;
+ strncpy(potential_types[0],atomtypes[i].potential,5);
+ k = find_match(1,potential_types,ff_vdw,&backwards);
+ if (k < 0) {
+ get_equivs(1,potential_types,equiv_types);
+#ifdef PRINT_USE_EQUIV
+ fprintf(stderr,"Using equivalences for VDW %s -> %s\n",
+ potential_types[0],equiv_types[0]);
+#endif
+ k = find_match(1,equiv_types,ff_vdw,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find vdw data for %s\n",atomtypes[i].potential);
+ }
+ else {
+ if (Forcefield == 1) {
+ if((ff_vdw.data[k].ff_param[0] != 0.0 ) &&
+ (ff_vdw.data[k].ff_param[1] != 0.0)) {
+ atomtypes[i].params[0] =
+ (ff_vdw.data[k].ff_param[1]*
+ ff_vdw.data[k].ff_param[1])/(4.0*ff_vdw.data[k].ff_param[0]);
+ atomtypes[i].params[1] = pow((ff_vdw.data[k].ff_param[0]/
+ ff_vdw.data[k].ff_param[1]),
+ (1.0/6.0));
+ }
+ }
+ else {
+ atomtypes[i].params[0] = ff_vdw.data[k].ff_param[1];
+ atomtypes[i].params[1] = ff_vdw.data[k].ff_param[0];
+ }
+ }
+ }
+
+#ifdef PRINT_DATA
+ fprintf(stderr,"\n Atom Types, Masses and VDW Parameters\n");
+ for (i=0; i < no_atom_types; i++) {
+ fprintf(stderr," %3s %8.4f %8.4f %8.4f\n",atomtypes[i].potential,
+ atomtypes[i].mass, atomtypes[i].params[0],
+ atomtypes[i].params[1]);
+ }
+#endif
+
+/**********************************************************************/
+/* */
+/* Find parameters for bond types */
+/* */
+/**********************************************************************/
+
+
+ for (i=0; i < no_bond_types; i++) {
+ backwards = 0;
+ for (j=0; j < 4; j++) bondtypes[i].params[j] = 0.0;
+ for (j=0; j < 2; j++)
+ strncpy(potential_types[j],
+ atomtypes[bondtypes[i].types[j]].potential,5);
+ k = find_match(2,potential_types,ff_bond,&backwards);
+ if (k < 0) {
+ get_equivs(2,potential_types,equiv_types);
+#ifdef PRINT_USE_EQUIV
+ fprintf(stderr,"Using equivalences for bond %s %s -> %s %s\n",
+ potential_types[0],potential_types[1],
+ equiv_types[0],equiv_types[1]);
+#endif
+ k = find_match(2,equiv_types,ff_bond,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find bond data for %s %s\n",
+ potential_types[0],potential_types[1]);
+ }
+ else {
+ if (Forcefield == 1) {
+ bondtypes[i].params[0] = ff_bond.data[k].ff_param[1];
+ bondtypes[i].params[1] = ff_bond.data[k].ff_param[0];
+ }
+ else {
+ for (j=0; j < 4; j++)
+ bondtypes[i].params[j] = ff_bond.data[k].ff_param[j];
+ }
+ }
+ }
+
+#ifdef PRINT_DATA
+ printf ("\n Bond Types and Parameters\n");
+ for (i=0; i < no_bond_types; i++) {
+ for (j=0; j < 2; j++) fprintf(stderr,"%-3s",
+ atomtypes[bondtypes[i].types[j]].potential);
+ for (j=0; j < 4; j++) fprintf(stderr," %8.4f",bondtypes[i].params[j]);
+ fprintf(stderr,"\n");
+ }
+#endif
+
+
+/**********************************************************************/
+/* */
+/* Find parameters for angle types including bondbond, */
+/* and bondangle parameters if Class II */
+/* */
+/* Each of the cross terms are searched separately even though */
+/* they share a given angle type. This allows parameters to be */
+/* in different order in the forcefield for each cross term or */
+/* maybe not even there. */
+/* */
+/**********************************************************************/
+ for (i=0; i < no_angle_types; i++) {
+ backwards = 0;
+ for (j=0; j < 4; j++) angletypes[i].params[j] = 0.0;
+ for (j=0; j < 3; j++)
+ strncpy(potential_types[j],atomtypes[angletypes[i].types[j]].potential,5);
+ k = find_match(3,potential_types,ff_ang,&backwards);
+ if (k < 0) {
+ get_equivs(3,potential_types,equiv_types);
+#ifdef PRINT_USE_EQUIV
+ fprintf(stderr,"Using equivalences for angle %s %s %s -> %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],
+ equiv_types[0],equiv_types[1],
+ equiv_types[2]);
+#endif
+ k = find_match(3,equiv_types,ff_ang,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find angle data for %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2]);
+ }
+ else {
+ if (Forcefield == 1) {
+ angletypes[i].params[0] = ff_ang.data[k].ff_param[1];
+ angletypes[i].params[1] = ff_ang.data[k].ff_param[0];
+ }
+ else {
+ for (j=0; j < 4; j++)
+ angletypes[i].params[j] = ff_ang.data[k].ff_param[j];
+ }
+ }
+ if (Forcefield > 1) {
+ get_equivs(3,potential_types,equiv_types);
+#ifdef PRINT_USE_EQUIV
+ fprintf(stderr,"Using equivalences for 3 body cross terms %s %s %s -> %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],
+ equiv_types[0],equiv_types[1],
+ equiv_types[2]);
+#endif
+ for (j=0; j < 3; j++)
+ angletypes[i].bondbond_cross_term[j] = 0.0;
+ for (j=0; j < 4; j++) angletypes[i].bondangle_cross_term[j] = 0.0;
+ rab = get_r0(angletypes[i].types[0],angletypes[i].types[1]);
+ rbc = get_r0(angletypes[i].types[1],angletypes[i].types[2]);
+
+ angletypes[i].bondbond_cross_term[1] = rab;
+ angletypes[i].bondbond_cross_term[2] = rbc;
+ angletypes[i].bondangle_cross_term[2] = rab;
+ angletypes[i].bondangle_cross_term[3] = rbc;
+
+ k = find_match(3,potential_types,ff_bonbon,&backwards);
+ if (k < 0) {
+ k = find_match(3,equiv_types,ff_bonbon,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find bondbond data for %s %s %s\n",
+ potential_types[0],
+ potential_types[1],potential_types[2]);
+ }
+ else {
+ angletypes[i].bondbond_cross_term[0] = ff_bonbon.data[k].ff_param[0];
+ }
+ k = find_match(3,potential_types,ff_bonang,&backwards);
+ if (k < 0) {
+ k = find_match(3,equiv_types,ff_bonang,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find bondangle data for %s %s %s\n",
+ potential_types[0],
+ potential_types[1],potential_types[2]);
+ }
+ else {
+ if (backwards) {
+ angletypes[i].bondangle_cross_term[0] =
+ ff_bonang.data[k].ff_param[1];
+ angletypes[i].bondangle_cross_term[1] =
+ ff_bonang.data[k].ff_param[0];
+ }
+ else {
+ angletypes[i].bondangle_cross_term[0] =
+ ff_bonang.data[k].ff_param[0];
+ angletypes[i].bondangle_cross_term[1] =
+ ff_bonang.data[k].ff_param[1];
+ }
+ }
+ }
+ }
+
+#ifdef PRINT_DATA
+ printf ("\n Angle Types and Parameters\n");
+ for (i=0; i < no_angle_types; i++) {
+ for (j=0; j < 3; j++)
+ fprintf(stderr," %-3s", atomtypes[angletypes[i].types[j]].potential);
+ for (j=0; j < 4; j++) fprintf(stderr," %8.4f",angletypes[i].params[j]);
+ fprintf(stderr,"\n");
+ }
+
+ if (forcefield > 1) {
+ printf ("\n BondBond Types and Parameters\n");
+ for (i=0; i < no_angle_types; i++) {
+ for (j=0; j < 3; j++)
+ fprintf(stderr,"%-3s",atomtypes[angletypes[i].types[j]].potential);
+ for (j=0; j < 3; j++)
+ fprintf(stderr," %8.4f",angletypes[i].bondbond_cross_term[j]);
+ fprintf(stderr,"\n");
+ }
+ printf ("\n BondAngle Types and Parameters\n");
+ for (i=0; i < no_angle_types; i++) {
+ for (j=0; j < 3; j++)
+ fprintf(stderr,"%-3s",atomtypes[angletypes[i].types[j]].potential);
+ for (j=0; j < 4; j++)
+ fprintf(stderr," %8.4f",angletypes[i].bondangle_cross_term[j]);
+ fprintf(stderr,"\n");
+ }
+ }
+#endif
+
+/**********************************************************************/
+/* */
+/* Find parameters for dihedral types including endbonddihedral, */
+/* midbonddihedral, angledihedral, angleangledihedral and */
+/* bondbond13 parameters if Class II */
+/* */
+/* Each of the cross terms are searched separately even though */
+/* they share a given dihedral type. This allows parameters to be */
+/* in different order in the forcefield for each cross term or */
+/* maybe not even there. */
+/* */
+/**********************************************************************/
+
+ for (i=0; i < no_dihedral_types; i++) {
+ for (j=0; j < 6; j++)
+ dihedraltypes[i].params[j] = 0.0;
+ for (j=0; j < 4; j++)
+ strncpy(potential_types[j],
+ atomtypes[dihedraltypes[i].types[j]].potential,5);
+ backwards = 0;
+ k = find_match(4,potential_types,ff_tor,&backwards);
+
+ if (k < 0) {
+ get_equivs(4,potential_types,equiv_types);
+
+#ifdef PRINT_USE_EQUIV
+ fprintf(stderr,"Using equivalences for dihedral %s %s %s %s -> %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3],
+ equiv_types[0],equiv_types[1],
+ equiv_types[2],equiv_types[3]);
+#endif
+ k = find_match(4,equiv_types,ff_tor,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find torsion data for %s %s %s %s\n",
+ potential_types[0],
+ potential_types[1],
+ potential_types[2],
+ potential_types[3]);
+ }
+ else {
+ if (Forcefield == 1) {
+ multiplicity = 1;
+ if (ff_tor.data[k].ff_types[0][0] == '*')
+ multiplicity =
+ atomtypes[dihedraltypes[i].types[1]].no_connect-1;
+ if (ff_tor.data[k].ff_types[3][0] == '*')
+ multiplicity *=
+ atomtypes[dihedraltypes[i].types[2]].no_connect-1;
+
+ dihedraltypes[i].params[0] = ff_tor.data[k].ff_param[0]/(double) multiplicity;
+ if (ff_tor.data[k].ff_param[2] == 0.0)
+ dihedraltypes[i].params[1] = 1.0;
+ else if (ff_tor.data[k].ff_param[2] == 180.0)
+ dihedraltypes[i].params[1] = -1.0;
+ else {
+ fprintf(stderr,"Non planar phi0 for %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3]);
+ dihedraltypes[i].params[1] = 0.0;
+ }
+ dihedraltypes[i].params[2] = ff_tor.data[k].ff_param[1];
+ }
+ else {
+ for (j=0; j < 6; j++)
+ dihedraltypes[i].params[j] = ff_tor.data[k].ff_param[j];
+ }
+ }
+
+ if (Forcefield > 1) {
+ get_equivs(4,potential_types,equiv_types);
+#ifdef PRINT_USE_EQUIV
+ fprintf(stderr,"Using equivalences for linear 4 body cross terms %s %s %s %s -> %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3],
+ equiv_types[0],equiv_types[1],
+ equiv_types[2],equiv_types[3]);
+#endif
+
+ for (j=0; j < 8; j++)
+ dihedraltypes[i].endbonddihedral_cross_term[j] = 0.0;
+ for (j=0; j < 4; j++)
+ dihedraltypes[i].midbonddihedral_cross_term[j] = 0.0;
+ for (j=0; j < 8; j++)
+ dihedraltypes[i].angledihedral_cross_term[j] = 0.0;
+ for (j=0; j < 3; j++)
+ dihedraltypes[i].angleangledihedral_cross_term[j] = 0.0;
+ for (j=0; j < 3; j++)
+ dihedraltypes[i].bond13_cross_term[j] = 0.0;
+
+ rab = get_r0(dihedraltypes[i].types[0],dihedraltypes[i].types[1]);
+ rbc = get_r0(dihedraltypes[i].types[1],dihedraltypes[i].types[2]);
+ rcd = get_r0(dihedraltypes[i].types[2],dihedraltypes[i].types[3]);
+ tabc = get_t0(dihedraltypes[i].types[0],
+ dihedraltypes[i].types[1],
+ dihedraltypes[i].types[2]);
+
+ tbcd = get_t0(dihedraltypes[i].types[1],
+ dihedraltypes[i].types[2],
+ dihedraltypes[i].types[3]);
+
+ dihedraltypes[i].endbonddihedral_cross_term[6] = rab;
+ dihedraltypes[i].endbonddihedral_cross_term[7] = rcd;
+ dihedraltypes[i].midbonddihedral_cross_term[3] = rbc;
+ dihedraltypes[i].angledihedral_cross_term[6] = tabc;
+ dihedraltypes[i].angledihedral_cross_term[7] = tbcd;
+ dihedraltypes[i].angleangledihedral_cross_term[1] = tabc;
+ dihedraltypes[i].angleangledihedral_cross_term[2] = tbcd;
+ dihedraltypes[i].bond13_cross_term[1] = rab;
+ dihedraltypes[i].bond13_cross_term[2] = rcd;
+
+ backwards = 0;
+ k = find_match(4,potential_types,ff_endbontor,&backwards);
+ if (k < 0) {
+ k = find_match(4,equiv_types,ff_endbontor,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find endbonddihedral data for %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3]);
+ }
+ else {
+ if (backwards) {
+ dihedraltypes[i].endbonddihedral_cross_term[0] =
+ ff_endbontor.data[k].ff_param[3];
+ dihedraltypes[i].endbonddihedral_cross_term[1] =
+ ff_endbontor.data[k].ff_param[4];
+ dihedraltypes[i].endbonddihedral_cross_term[2] =
+ ff_endbontor.data[k].ff_param[5];
+ dihedraltypes[i].endbonddihedral_cross_term[3] =
+ ff_endbontor.data[k].ff_param[0];
+ dihedraltypes[i].endbonddihedral_cross_term[4] =
+ ff_endbontor.data[k].ff_param[1];
+ dihedraltypes[i].endbonddihedral_cross_term[5] =
+ ff_endbontor.data[k].ff_param[2];
+ }
+ else {
+ dihedraltypes[i].endbonddihedral_cross_term[0] =
+ ff_endbontor.data[k].ff_param[0];
+ dihedraltypes[i].endbonddihedral_cross_term[1] =
+ ff_endbontor.data[k].ff_param[1];
+ dihedraltypes[i].endbonddihedral_cross_term[2] =
+ ff_endbontor.data[k].ff_param[2];
+ dihedraltypes[i].endbonddihedral_cross_term[3] =
+ ff_endbontor.data[k].ff_param[3];
+ dihedraltypes[i].endbonddihedral_cross_term[4] =
+ ff_endbontor.data[k].ff_param[4];
+ dihedraltypes[i].endbonddihedral_cross_term[5] =
+ ff_endbontor.data[k].ff_param[5];
+ }
+ }
+ backwards = 0;
+ k = find_match(4,potential_types,ff_midbontor,&backwards);
+ if (k < 0) {
+ k = find_match(4,equiv_types,ff_midbontor,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find midbonddihedral data for %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3]);
+ }
+ else {
+ dihedraltypes[i].midbonddihedral_cross_term[0] =
+ ff_midbontor.data[k].ff_param[0];
+ dihedraltypes[i].midbonddihedral_cross_term[1] =
+ ff_midbontor.data[k].ff_param[1];
+ dihedraltypes[i].midbonddihedral_cross_term[2] =
+ ff_midbontor.data[k].ff_param[2];
+ }
+
+ backwards = 0;
+ k = find_match(4,potential_types,ff_angtor,&backwards);
+ if (k < 0) {
+ k = find_match(4,equiv_types,ff_angtor,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find angledihedral data for %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3]);
+ }
+ else {
+ if (backwards) {
+ dihedraltypes[i].angledihedral_cross_term[0] =
+ ff_angtor.data[k].ff_param[3];
+ dihedraltypes[i].angledihedral_cross_term[1] =
+ ff_angtor.data[k].ff_param[4];
+ dihedraltypes[i].angledihedral_cross_term[2] =
+ ff_angtor.data[k].ff_param[5];
+ dihedraltypes[i].angledihedral_cross_term[3] =
+ ff_angtor.data[k].ff_param[0];
+ dihedraltypes[i].angledihedral_cross_term[4] =
+ ff_angtor.data[k].ff_param[1];
+ dihedraltypes[i].angledihedral_cross_term[5] =
+ ff_angtor.data[k].ff_param[2];
+ }
+ else {
+ dihedraltypes[i].angledihedral_cross_term[0] =
+ ff_angtor.data[k].ff_param[0];
+ dihedraltypes[i].angledihedral_cross_term[1] =
+ ff_angtor.data[k].ff_param[1];
+ dihedraltypes[i].angledihedral_cross_term[2] =
+ ff_angtor.data[k].ff_param[2];
+ dihedraltypes[i].angledihedral_cross_term[3] =
+ ff_angtor.data[k].ff_param[3];
+ dihedraltypes[i].angledihedral_cross_term[4] =
+ ff_angtor.data[k].ff_param[4];
+ dihedraltypes[i].angledihedral_cross_term[5] =
+ ff_angtor.data[k].ff_param[5];
+ }
+ }
+ backwards = 0;
+ k = find_match(4,potential_types,ff_angangtor,&backwards);
+ if (k < 0) {
+ k = find_match(4,equiv_types,ff_angangtor,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find angleangledihedral data for %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3]);
+ }
+ else {
+ dihedraltypes[i].angleangledihedral_cross_term[0] =
+ ff_angangtor.data[k].ff_param[0];
+ }
+ cp_type = quo_cp();
+ if ((cp_type >= 0) &&
+ ((dihedraltypes[i].types[0] == cp_type) ||
+ (dihedraltypes[i].types[1] == cp_type) ||
+ (dihedraltypes[i].types[2] == cp_type) ||
+ (dihedraltypes[i].types[3] == cp_type) )) {
+ backwards = 0;
+ k = find_match(4,potential_types,ff_bonbon13,&backwards);
+ if (k < 0) {
+ k = find_match(4,equiv_types,ff_bonbon13,&backwards);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find bond13 data for %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3]);
+ }
+ else {
+ dihedraltypes[i].bond13_cross_term[0] =
+ ff_bonbon13.data[k].ff_param[0];
+ }
+ }
+ }
+ }
+
+#ifdef PRINT_DATA
+ printf ("\n Dihedral Types and Parameters\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ for (j=0; j < 4; j++)
+ fprintf(stderr,"%-3s",atomtypes[dihedraltypes[i].types[j]].potential);
+ for (j=0; j < 6; j++)
+ fprintf(stderr," %8.4f",dihedraltypes[i].params[j]);
+ fprintf(stderr,"\n");
+ }
+
+ if (forcefield > 1) {
+
+ printf ("\n EndBondDihedral Types and Parameters\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ for (j=0; j < 4; j++)
+ fprintf(stderr,"%-3s",atomtypes[dihedraltypes[i].types[j]].potential);
+ for (j=0; j < 8; j++)
+ fprintf(stderr," %8.4f",dihedraltypes[i].endbonddihedral_cross_term[j]);
+ fprintf(stderr,"\n");
+ }
+
+ printf ("\n MidBondDihedral Types and Parameters\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ for (j=0; j < 4; j++)
+ fprintf(stderr," %-3s",atomtypes[dihedraltypes[i].types[j]].potential);
+ for (j=0; j < 4; j++)
+ fprintf(stderr," %8.4f",dihedraltypes[i].midbonddihedral_cross_term[j]);
+ fprintf(stderr,"\n");
+ }
+
+ printf ("\n AngleDihedral Types and Parameters\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ for (j=0; j < 4; j++)
+ fprintf(stderr,"%-3s",atomtypes[dihedraltypes[i].types[j]].potential);
+ for (j=0; j < 8; j++)
+ fprintf(stderr," %8.4f",dihedraltypes[i].angledihedral_cross_term[j]);
+ fprintf(stderr,"\n");
+ }
+
+ printf ("\n AngleAngleDihedral Types and Parameters\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ for (j=0; j < 4; j++)
+ fprintf(stderr," %-3s",atomtypes[dihedraltypes[i].types[j]].potential);
+ for (j=0; j < 3; j++)
+ fprintf(stderr,"%8.4f",dihedraltypes[i].angleangledihedral_cross_term[j]);
+ fprintf(stderr,"\n");
+ }
+
+ printf ("\n Bond13 Types and Parameters\n");
+
+ for (i=0; i < no_dihedral_types; i++) {
+ for (j=0; j < 4; j++)
+ fprintf(stderr," %-3s",atomtypes[dihedraltypes[i].types[j]].potential);
+ for (j=0; j < 3; j++)
+ fprintf(stderr," %8.4f",dihedraltypes[i].bond13_cross_term[j]);
+ fprintf(stderr,"\n");
+ }
+ }
+#endif
+
+
+/**********************************************************************/
+/* */
+/* Find parameters for oop types */
+/* */
+/* This is the most complicated of all the types because the */
+/* the class I oop is actually an improper torsion and does */
+/* not have the permutation symmetry of a well defined oop */
+/* The net result is that if one does not find the current */
+/* atom type ordering in the Forcefield file then one must try each */
+/* of the next permutations (6 in total) and when a match is found */
+/* the program must go back and rearrange the oop type AND the atom */
+/* ordering in the oop lists for those with the current type */
+/* */
+/* The Class II oop types are easier but also tedious since the */
+/* program has to try all permutations of the a c and d atom */
+/* types to find a match. A special routine is used to do this. */
+/* */
+/* Fortunately, there are typically few oop types */
+/* */
+/**********************************************************************/
+
+ if (forcefield == 1) {
+ for (i=0; i < no_oop_types; i++) {
+ for (j=0; j < 3; j++) ooptypes[i].params[j] = 0.0;
+ for (j=0; j < 4; j++)
+ strncpy(potential_types[j],
+ atomtypes[ooptypes[i].types[j]].potential,5);
+
+ k = find_improper_body_data(potential_types,ff_oop,&rearrange);
+ if (k < 0) {
+ get_equivs(5,potential_types,equiv_types);
+
+#ifdef PRINT_USE_EQUIV
+ fprintf(stderr,"Using equivalences for oop %s %s %s %s -> %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3],
+ equiv_types[0],equiv_types[1],
+ equiv_types[2],equiv_types[3]);
+#endif
+ k = find_improper_body_data(equiv_types,ff_oop,&rearrange);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find oop data for %s %s %s %s\n",
+ potential_types[0],
+ potential_types[1],potential_types[2],potential_types[3]);
+ }
+ else {
+ ooptypes[i].params[0] = ff_oop.data[k].ff_param[0];
+ if (ff_oop.data[k].ff_param[2] == 0.0)
+ ooptypes[i].params[1] = 1.0;
+ else if (ff_oop.data[k].ff_param[2] == 180.0)
+ ooptypes[i].params[1] = -1.0;
+ else {
+ fprintf(stderr,"Non planar phi0 for %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3]);
+ ooptypes[i].params[1] = 0.0;
+ }
+ ooptypes[i].params[2] = ff_oop.data[k].ff_param[1];
+ if (rearrange > 0) rearrange_improper(i,rearrange);
+ }
+ }
+ }
+ else {
+ for (i=0; i < no_oop_types; i++) {
+ for (j=0; j < 3; j++)
+ ooptypes[i].params[j] = 0.0;
+ for (j=0; j < 4; j++)
+ strncpy(potential_types[j],
+ atomtypes[ooptypes[i].types[j]].potential,5);
+ k = find_trigonal_body_data(potential_types,ff_oop);
+ if (k < 0) {
+ get_equivs(5,potential_types,equiv_types);
+#ifdef PRINT_USE_EQUIV
+ fprintf(stderr,"Using equivalences for oop %s %s %s %s -> %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3],
+ equiv_types[0],equiv_types[1],
+ equiv_types[2],equiv_types[3]);
+#endif
+ k = find_trigonal_body_data(equiv_types,ff_oop);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find oop data for %s %s %s %s\n",
+ potential_types[0],
+ potential_types[1],potential_types[2],potential_types[3]);
+ }
+ else {
+ for (j=0; j < 2; j++)
+ ooptypes[i].params[j] = ff_oop.data[k].ff_param[j];
+ }
+ }
+ }
+
+#ifdef PRINT_DATA
+ fprintf(stderr,"\n OOP Types and Parameters\n");
+ for (i=0; i < no_oop_types; i++) {
+ for (j=0; j < 4; j++)
+ fprintf(stderr,"%-3s",atomtypes[ooptypes[i].types[j]].potential);
+ for (j=0; j < 3; j++)
+ fprintf(stderr," %8.4f",ooptypes[i].params[j]);
+ fprintf(stderr,"\n");
+ }
+#endif
+
+
+/**********************************************************************/
+/* */
+/* Find parameters for angleangle types (Class II only) */
+/* */
+/* This is somewhat complicated in that one set of four types */
+/* a b c d has three angleangle combinations so for each type */
+/* the program needs to find three sets of parameters by */
+/* progressively looking for data for different permutations of */
+/* a c and d */
+/* */
+/**********************************************************************/
+
+ if (forcefield > 1) {
+
+ for (i=0; i < no_oop_types; i++) {
+
+ for (j=0; j < 6; j++) ooptypes[i].angleangle_params[j] = 0.0;
+
+ for (j=0; j < 4; j++)
+ strncpy(potential_types[j],
+ atomtypes[ooptypes[i].types[j]].potential,5);
+
+
+ tabc = get_t0(ooptypes[i].types[0],
+ ooptypes[i].types[1],
+ ooptypes[i].types[2]);
+
+ tabd = get_t0(ooptypes[i].types[0],
+ ooptypes[i].types[1],
+ ooptypes[i].types[3]);
+ tcbd = get_t0(ooptypes[i].types[2],
+ ooptypes[i].types[1],
+
+ ooptypes[i].types[3]);
+
+ ooptypes[i].angleangle_params[3] = tabc;
+ ooptypes[i].angleangle_params[4] = tcbd;
+ ooptypes[i].angleangle_params[5] = tabd;
+
+ k = find_angleangle_data(potential_types,ff_angang,kloc);
+ if (k < 0) {
+ get_equivs(5,potential_types,equiv_types);
+#ifdef PRINT_USE_EQUIV
+ fprintf(stderr,"Using equivalences for angleangle %s %s %s %s -> %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3],
+ equiv_types[0],equiv_types[1],
+ equiv_types[2],equiv_types[3]);
+ k = find_angleangle_data(equiv_types,ff_angang,kloc);
+#endif
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find angleangle data for %s %s %s %s\n",
+ potential_types[0],
+ potential_types[1],potential_types[2],potential_types[3]);
+ }
+ else {
+ for (j=0; j < 3; j++) {
+ if (kloc[j] > -1)
+ ooptypes[i].angleangle_params[j] = ff_angang.data[kloc[j]].ff_param[0];
+ }
+ }
+ }
+
+ for (i=0; i < no_angleangle_types; i++) {
+ for (j=0; j < 6; j++) angleangletypes[i].params[j] = 0.0;
+ for (j=0; j < 4; j++)
+ strncpy(potential_types[j],
+ atomtypes[angleangletypes[i].types[j]].potential,5);
+
+ tabc = get_t0(angleangletypes[i].types[0],
+ angleangletypes[i].types[1],
+ angleangletypes[i].types[2]);
+ tabd = get_t0(angleangletypes[i].types[0],
+ angleangletypes[i].types[1],
+ angleangletypes[i].types[3]);
+ tcbd = get_t0(angleangletypes[i].types[2],
+ angleangletypes[i].types[1],
+ angleangletypes[i].types[3]);
+
+ angleangletypes[i].params[3] = tabc;
+ angleangletypes[i].params[4] = tcbd;
+ angleangletypes[i].params[5] = tabd;
+
+ k = find_angleangle_data(potential_types,ff_angang,kloc);
+ if (k < 0) {
+ get_equivs(5,potential_types,equiv_types);
+#ifdef PRINT_USE_EQUIV
+ fprintf(stderr,"Using equivalences for angleangle %s %s %s %s -> %s %s %s %s\n",
+ potential_types[0],potential_types[1],
+ potential_types[2],potential_types[3],
+ equiv_types[0],equiv_types[1],
+ equiv_types[2],equiv_types[3]);
+#endif
+ k = find_angleangle_data(equiv_types,ff_angang,kloc);
+ }
+ if (k < 0) {
+ fprintf(stderr," Unable to find angleangle data for %s %s %s %s\n",
+ potential_types[0],
+ potential_types[1],potential_types[2],potential_types[3]);
+ }
+ else {
+ for (j=0; j < 3; j++) {
+ if (kloc[j] > -1)
+ angleangletypes[i].params[j] =
+ ff_angang.data[kloc[j]].ff_param[0];
+ }
+ }
+ }
+#ifdef PRINT_DATA
+ printf ("\n AngleAngle Types and Parameters\n");
+ for (i=0; i < no_oop_types; i++) {
+ for (j=0; j < 4; j++)
+ fprintf(stderr,"%-3s",atomtypes[ooptypes[i].types[j]].potential);
+ for (j=0; j < 6; j++)
+ fprintf(stderr," %8.4f",ooptypes[i].angleangle_params[j]);
+ fprintf(stderr,"\n");
+ }
+ for (i=0; i < no_angleangle_types; i++) {
+ for (j=0; j < 4; j++)
+ fprintf(stderr," %-3s",atomtypes[angleangletypes[i].types[j]].potential);
+ for (j=0; j < 6; j++) fprintf(stderr," %8.4f",angleangletypes[i].params[j]);
+ fprintf(stderr,"\n");
+ }
+#endif
+ }
+}
+
+int find_improper_body_data(char types1[][5],struct FrcFieldItem item,
+ int *rearrange_ptr)
+{
+ int k,backwards;
+ char mirror_types[4][5];
+
+ backwards = 0;
+
+ /* a b c d */
+
+ *rearrange_ptr = 0;
+ k = find_match(4,types1,item,&backwards);
+ if (k >= 0) return k;
+
+ /* a b d c */
+
+ *rearrange_ptr = 1;
+ strncpy(mirror_types[0],types1[0],5);
+ strncpy(mirror_types[1],types1[1],5);
+ strncpy(mirror_types[2],types1[3],5);
+ strncpy(mirror_types[3],types1[2],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ if (k >= 0) return k;
+
+ /* d b a c */
+
+ *rearrange_ptr = 2;
+ strncpy(mirror_types[0],types1[3],5);
+ strncpy(mirror_types[2],types1[0],5);
+ strncpy(mirror_types[3],types1[2],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ if (k >= 0) return k;
+
+ /* d b c a */
+
+ *rearrange_ptr = 3;
+ strncpy(mirror_types[2],types1[2],5);
+ strncpy(mirror_types[3],types1[0],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ if (k >= 0) return k;
+
+ /* c b a d */
+
+ *rearrange_ptr = 4;
+ strncpy(mirror_types[0],types1[2],5);
+ strncpy(mirror_types[2],types1[0],5);
+ strncpy(mirror_types[3],types1[3],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ if (k >= 0) return k;
+
+ /* c b d a */
+
+ *rearrange_ptr = 5;
+ strncpy(mirror_types[2],types1[3],5);
+ strncpy(mirror_types[3],types1[0],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ return k;
+}
+
+void rearrange_improper(int ooptype,int rearrange)
+{
+ int i,j,temp[4];
+
+ for (i=0; i < 4; i++) temp[i] = ooptypes[ooptype].types[i];
+
+ switch (rearrange) {
+ case 1:
+ ooptypes[ooptype].types[0] = temp[0];
+ ooptypes[ooptype].types[2] = temp[3];
+ ooptypes[ooptype].types[3] = temp[2];
+ for (i=0; i < total_no_oops; i++) {
+ if (oops[i].type == ooptype) {
+ for (j=0; j < 4; j++) temp[j] = oops[i].members[j];
+ oops[i].members[2] = temp[3];
+ oops[i].members[3] = temp[2];
+ }
+ }
+ break;
+ case 2:
+ ooptypes[ooptype].types[0] = temp[3];
+ ooptypes[ooptype].types[2] = temp[0];
+ ooptypes[ooptype].types[3] = temp[2];
+ for (i=0; i < total_no_oops; i++) {
+ if (oops[i].type == ooptype) {
+ for (j=0; j < 4; j++) temp[j] = oops[i].members[j];
+ oops[i].members[0] = temp[3];
+ oops[i].members[2] = temp[0];
+ oops[i].members[3] = temp[2];
+ }
+ }
+ break;
+ case 3:
+ ooptypes[ooptype].types[0] = temp[3];
+ ooptypes[ooptype].types[2] = temp[2];
+ ooptypes[ooptype].types[3] = temp[0];
+ for (i=0; i < total_no_oops; i++) {
+ if (oops[i].type == ooptype) {
+ for (j=0; j < 4; j++) temp[j] = oops[i].members[j];
+ oops[i].members[0] = temp[3];
+ oops[i].members[2] = temp[2];
+ oops[i].members[3] = temp[0];
+ }
+ }
+ break;
+ case 4:
+ ooptypes[ooptype].types[0] = temp[2];
+ ooptypes[ooptype].types[2] = temp[0];
+ ooptypes[ooptype].types[3] = temp[3];
+ for (i=0; i < total_no_oops; i++) {
+ if (oops[i].type == ooptype) {
+ for (j=0; j < 4; j++) temp[j] = oops[i].members[j];
+ oops[i].members[0] = temp[2];
+ oops[i].members[2] = temp[0];
+ oops[i].members[3] = temp[3];
+ }
+ }
+ break;
+ case 5:
+ ooptypes[ooptype].types[0] = temp[2];
+ ooptypes[ooptype].types[2] = temp[3];
+ ooptypes[ooptype].types[3] = temp[0];
+ for (i=0; i < total_no_oops; i++) {
+ if (oops[i].type == ooptype) {
+ for (j=0; j < 4; j++) temp[j] = oops[i].members[j];
+ oops[i].members[0] = temp[2];
+ oops[i].members[2] = temp[3];
+ oops[i].members[3] = temp[0];
+ }
+ }
+ break;
+ default:
+ break;
+ }
+}
+
+int find_trigonal_body_data(char types1[][5],struct FrcFieldItem item)
+{
+ int k,backwards;
+ char mirror_types[4][5];
+
+ backwards = -1;
+
+ /* a b c d */
+
+ k = find_match(4,types1,item,&backwards);
+ if (k >= 0) return k;
+
+ /* a b d c */
+
+ strncpy(mirror_types[0],types1[0],5);
+ strncpy(mirror_types[1],types1[1],5);
+ strncpy(mirror_types[2],types1[3],5);
+ strncpy(mirror_types[3],types1[2],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ if (k >= 0) return k;
+
+ /* d b a c */
+
+ strncpy(mirror_types[0],types1[3],5);
+ strncpy(mirror_types[2],types1[0],5);
+ strncpy(mirror_types[3],types1[2],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ if (k >= 0) return k;
+
+ /* d b c a */
+
+ strncpy(mirror_types[2],types1[2],5);
+ strncpy(mirror_types[3],types1[0],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ if (k >= 0) return k;
+ /* c b a d */
+
+ strncpy(mirror_types[0],types1[2],5);
+ strncpy(mirror_types[2],types1[0],5);
+ strncpy(mirror_types[3],types1[3],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ if (k >= 0) return k;
+
+ /* c b d a */
+
+ strncpy(mirror_types[2],types1[3],5);
+ strncpy(mirror_types[3],types1[0],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ return k;
+}
+
+int find_angleangle_data(char types1[][5],struct FrcFieldItem item,int kloc[3])
+{
+ int k,backwards = -1;
+ char mirror_types[4][5];
+
+ strncpy(mirror_types[1],types1[1],5);
+
+ /* go for first parameter a b c d or d b c a */
+
+ k = find_match(4,types1,item,&backwards);
+ if (k < 0) {
+ strncpy(mirror_types[0],types1[3],5);
+ strncpy(mirror_types[2],types1[2],5);
+ strncpy(mirror_types[3],types1[0],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ }
+ kloc[0] = k;
+
+ /* go for second parameter d b a c or c b a d */
+
+ strncpy(mirror_types[0],types1[3],5);
+ strncpy(mirror_types[2],types1[0],5);
+ strncpy(mirror_types[3],types1[2],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ if (k < 0) {
+ strncpy(mirror_types[0],types1[2],5);
+ strncpy(mirror_types[3],types1[3],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ }
+ kloc[1] = k;
+
+ /* go for third parameter a b d c or c b d a */
+
+ strncpy(mirror_types[0],types1[0],5);
+ strncpy(mirror_types[2],types1[3],5);
+ strncpy(mirror_types[3],types1[2],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ if (k < 0) {
+ strncpy(mirror_types[0],types1[2],5);
+ strncpy(mirror_types[3],types1[0],5);
+ k = find_match(4,mirror_types,item,&backwards);
+ }
+ kloc[2] = k;
+ k = 0;
+ if ((kloc[0] < 0) && (kloc[1] < 0) && (kloc[2] < 0)) k = -1;
+ return k;
+}
+
+int find_match(int n, char types1[][5],struct FrcFieldItem item,int
+ *backwards_ptr)
+{
+ int k,match;
+
+ match = 0;
+ k=0;
+
+ /* Try for an exact match (no wildcards) first */
+
+ while (!match && (k < item.entries)) {
+ if (match_types(n, 0,types1,item.data[k].ff_types,backwards_ptr) == 1)
+ match = 1;
+ else
+ k++;
+ }
+
+ /* Try again - allow wildcard matching */
+
+ if (!match) {
+ k=0;
+ while (!match && (k < item.entries)) {
+ if (match_types(n,1,types1,item.data[k].ff_types,backwards_ptr) == 1)
+ match = 1;
+ else
+ k++;
+ }
+ }
+ if (match) return k;
+ else return -1;
+}
+
+int match_types(int n,int wildcard,char types1[][5],char types2[][5],
+ int *backwards_ptr)
+{
+ int k,match;
+
+ /* Routine to match short arrays of characters strings which contain
+ atom potential types. The arrays range from 1 to 4 (VDW or equivalences,
+ bond, angle, dihedrals or oops). There are potentially four ways the
+ arrays can match: exact match (forwards), exact match when one array is
+ run backwards (backwards), forwards with wildcard character match allowed
+ (forwards *) and finally backwards with wildcard character match
+ (backwards *). If the variable, backwards (pointed by backwards_ptr)
+ is -1, then the backwards options are not to be used (such when
+ matching oop types)
+ */
+
+
+ if (wildcard == 0) {
+
+ /* forwards */
+
+ k=0;
+ match = 1;
+ while (match && (k < n)) {
+ if (strncmp(types1[k],types2[k],5) == 0)
+ k++;
+ else
+ match = 0;
+ }
+ }
+ else {
+
+ /* forwards * */
+
+ k=0;
+
+ match = 1;
+ while (match && (k < n)) {
+ if ((strncmp(types1[k],types2[k],5) == 0) ||
+ (types2[k][0] == '*'))
+ k++;
+ else
+ match = 0;
+ }
+ }
+
+ if (match) {
+ *backwards_ptr = 0;
+ return 1;
+ }
+ if ((n < 2) || (*backwards_ptr == -1)) return 0;
+
+ if (wildcard == 0) {
+
+ /* backwards */
+
+ k=0;
+ match = 1;
+ while (match && (k < n)) {
+ if (strncmp(types1[n-k-1],types2[k],5) == 0)
+ k++;
+ else
+ match = 0;
+ }
+ }
+ else {
+
+ /* backwards * */
+
+ k=0;
+ match = 1;
+ while (match && (k < n)) {
+ if ((strncmp(types1[n-k-1],types2[k],5) == 0) ||
+ (types2[k][0] == '*') )
+ k++;
+ else
+ match = 0;
+ }
+ }
+
+ if (match) {
+ *backwards_ptr = 1;
+ return 1;
+ }
+ else return 0;
+}
+
+double get_r0(int typei,int typej)
+{
+ int k,match;
+ double r;
+
+ k=0;
+ match=0;
+ r = 0.0;
+
+ while (!match && (k < no_bond_types)) {
+ if (((typei == bondtypes[k].types[0]) &&
+ (typej == bondtypes[k].types[1])) ||
+ ((typej == bondtypes[k].types[0]) &&
+ (typei == bondtypes[k].types[1])) ) {
+ r = bondtypes[k].params[0];
+ match = 1;
+ }
+ else
+ k++;
+ }
+
+ if (match == 0)
+ fprintf(stderr,"Unable to find r0 for types %d %d\n",
+ typei,typej);
+ return r;
+}
+
+double get_t0(int typei,int typej,int typek)
+{
+ int k,match;
+ double theta;
+
+ k=0;
+ match=0;
+ theta = 0.0;
+
+ while (!match && (k < no_angle_types)) {
+ if (((typei == angletypes[k].types[0]) &&
+ (typej == angletypes[k].types[1]) &&
+ (typek == angletypes[k].types[2])) ||
+ ((typek == angletypes[k].types[0]) &&
+ (typej == angletypes[k].types[1]) &&
+ (typei == angletypes[k].types[2])) ) {
+ theta = angletypes[k].params[0];
+ match = 1;
+ }
+ else
+ k++;
+ }
+
+ if (match == 0)
+ fprintf(stderr," Unable to find t0 for types %d %d %d\n",
+ typei,typej,typek);
+ return theta;
+}
+
+int quo_cp()
+{
+ char cp[] = "cp ";
+ int i,type,found;
+
+ i = 0;
+ type = -1;
+ found = 0;
+
+ while (!found && (i < no_atom_types)) {
+ if (strncmp(atomtypes[i].potential,cp,2) == 0) {
+ found = 1;
+ type = i;
+ }
+ else
+ i++;
+ }
+
+ return type;
+}
+
+void get_equivs(int ic,char potential_types[][5],char equiv_types[][5])
+{
+ int i,k;
+ switch (ic) {
+ case 1:
+ k = find_equiv_type(potential_types[0]);
+ if (k > -1) strncpy(equiv_types[0],equivalence.data[k].ff_types[1],5);
+ break;
+
+ case 2:
+ for (i=0; i < 2; i++) {
+ k = find_equiv_type(potential_types[i]);
+ if (k > -1) strncpy(equiv_types[i],equivalence.data[k].ff_types[2],5);
+ }
+ break;
+ case 3:
+ for (i=0; i < 3; i++) {
+ k = find_equiv_type(potential_types[i]);
+ if (k > -1) strncpy(equiv_types[i],equivalence.data[k].ff_types[3],5);
+ }
+ break;
+ case 4:
+ for (i=0; i < 4; i++) {
+ k = find_equiv_type(potential_types[i]);
+ if (k > -1) strncpy(equiv_types[i],equivalence.data[k].ff_types[4],5);
+ }
+ break;
+
+ case 5:
+ for (i=0; i < 4; i++) {
+ k = find_equiv_type(potential_types[i]);
+ if (k > -1)
+ strncpy(equiv_types[i],equivalence.data[k].ff_types[5],5);
+ }
+ break;
+ default:
+ break;
+ }
+ return;
+}
+
+int find_equiv_type(char potential_type[5])
+{
+ int j,k,match;
+
+ j = -1;
+ k = 0;
+ match = 0;
+
+ while (!match && (k < equivalence.entries)) {
+ if (strncmp(potential_type,
+ equivalence.data[k].ff_types[0],5) == 0) {
+ match = 1;
+ j = k;
+ }
+ else {
+ k++;
+ }
+ }
+ if (j < 0)
+ fprintf(stderr," Unable to find equivalent type for %s\n",potential_type);
+ return j;
+}
diff --git a/tools/msi2lmp/src/InitializeItems.c b/tools/msi2lmp/src/InitializeItems.c
new file mode 100644
index 0000000000..4c03e3cf53
--- /dev/null
+++ b/tools/msi2lmp/src/InitializeItems.c
@@ -0,0 +1,125 @@
+/*
+* This function fills in the keyword field, the number of members for each
+* item and the number of parameters for each item
+*
+*/
+
+#include "Forcefield.h"
+#include "Msi2LMP2.h"
+
+void InitializeItems(void)
+{
+ /* ATOM TYPES */
+ strcpy(ff_atomtypes.keyword,"#atom_types");
+ ff_atomtypes.number_of_members = 1;
+ ff_atomtypes.number_of_parameters = 1;
+
+ /* EQUIVALENCE */
+
+ strcpy(equivalence.keyword, "#equivalence");
+ equivalence.number_of_members = 6;
+ equivalence.number_of_parameters = 0;
+
+ /* NON-BOND */
+ strcpy(ff_vdw.keyword, "#nonbond");
+ ff_vdw.number_of_members = 1;
+ ff_vdw.number_of_parameters = 2;
+
+ /* BOND */
+ ff_bond.number_of_members = 2;
+ if(forcefield == 1) {
+ strcpy(ff_bond.keyword, "#quadratic_bond");
+ ff_bond.number_of_parameters = 2;
+ }
+ else {
+ strcpy(ff_bond.keyword, "#quartic_bond");
+ ff_bond.number_of_parameters = 4;
+ }
+
+ /* ANGLE */
+
+ ff_ang.number_of_members = 3;
+ if(forcefield ==1)
+ {
+ strcpy(ff_ang.keyword, "#quadratic_angle");
+ ff_ang.number_of_parameters = 2;
+ }
+ else {
+ strcpy(ff_ang.keyword, "#quartic_angle");
+ ff_ang.number_of_parameters = 4;
+ }
+
+ /* TORSION */
+
+ ff_tor.number_of_members = 4;
+ if (forcefield == 1) {
+ strcpy(ff_tor.keyword, "#torsion_1");
+ ff_tor.number_of_parameters = 3;
+ }
+ else {
+ strcpy(ff_tor.keyword, "#torsion_3");
+ ff_tor.number_of_parameters = 6;
+ }
+
+ /* OOP */
+
+ ff_oop.number_of_members = 4;
+ if(forcefield == 1) {
+ strcpy(ff_oop.keyword, "#out_of_plane");
+ ff_oop.number_of_parameters = 3;
+ }
+ else {
+ strcpy(ff_oop.keyword,"#wilson_out_of_plane");
+ ff_oop.number_of_parameters = 2;
+ }
+
+ if (forcefield == 1) return; /* Do not try to read cross terms for Class I forcefield */
+
+ /* BOND-BOND */
+
+ strcpy(ff_bonbon.keyword, "#bond-bond");
+ ff_bonbon.number_of_members = 3;
+ ff_bonbon.number_of_parameters = 1;
+
+ /* BOND-ANGLE */
+
+ strcpy(ff_bonang.keyword, "#bond-angle");
+ ff_bonang.number_of_members = 3;
+ ff_bonang.number_of_parameters = 2;
+
+ /* ANGLE-TORSION */
+
+ strcpy(ff_angtor.keyword, "#angle-torsion_3");
+ ff_angtor.number_of_members = 4;
+ ff_angtor.number_of_parameters = 6;
+
+ /* ANGLE-ANGLE-TORSION */
+
+ strcpy(ff_angangtor.keyword,"#angle-angle-torsion_1");
+ ff_angangtor.number_of_members = 4;
+ ff_angangtor.number_of_parameters = 1;
+
+ /* END-BOND-TORSION */
+
+ strcpy(ff_endbontor.keyword, "#end_bond-torsion_3");
+ ff_endbontor.number_of_members = 4;
+ ff_endbontor.number_of_parameters = 6;
+
+ /* MID-BOND-TORSION */
+
+ strcpy(ff_midbontor.keyword,"#middle_bond-torsion_3");
+ ff_midbontor.number_of_members = 4;
+ ff_midbontor.number_of_parameters = 3;
+
+ /* ANGLE-ANGLE */
+
+ strcpy(ff_angang.keyword, "#angle-angle");
+ ff_angang.number_of_members = 4;
+ ff_angang.number_of_parameters = 1;
+
+ /* BOND-BOND-1-3 */
+
+ strcpy(ff_bonbon13.keyword, "#bond-bond_1_3");
+ ff_bonbon13.number_of_members = 4;
+ ff_bonbon13.number_of_parameters = 1;
+}
diff --git a/tools/msi2lmp/src/MakeLists.c b/tools/msi2lmp/src/MakeLists.c
new file mode 100644
index 0000000000..5337a5b61b
--- /dev/null
+++ b/tools/msi2lmp/src/MakeLists.c
@@ -0,0 +1,783 @@
+#include "Msi2LMP2.h"
+
+int count_bonds();
+int count_angles();
+int count_dihedrals();
+int count_oops();
+int count_angle_angles();
+
+void build_bonds_list();
+void build_angles_list();
+void build_dihedrals_list();
+void build_oops_list();
+void build_angleangles_list();
+
+void build_atomtypes_list();
+void build_bondtypes_list();
+void build_angletypes_list();
+void build_dihedraltypes_list();
+void build_ooptypes_list();
+void build_angleangletypes_list();
+
+void swap_ints(int *,int *);
+void bubble_sort(int, int *, int *);
+
+/*#define PRINT_LISTS */
+
+void MakeLists()
+{
+
+ total_no_bonds = count_bonds();
+ total_no_angles = count_angles();
+ total_no_dihedrals = count_dihedrals();
+ total_no_oops = count_oops();
+ total_no_angle_angles = count_angle_angles();
+
+
+ atomtypes = (struct AtomTypeList *)calloc(MAX_ATOM_TYPES,
+ sizeof(struct AtomTypeList));
+ if (atomtypes == NULL) {
+ fprintf(stderr,"Trouble allocating memory for atomtypes list - Exiting\n");
+ exit(1);
+ }
+
+ build_atomtypes_list();
+
+
+ if (total_no_bonds > 0) {
+ bonds = (struct BondList *)calloc(total_no_bonds,sizeof(struct BondList));
+ if (bonds == NULL) {
+ fprintf(stderr,"Trouble allocating memory for bonds list - Exiting\n");
+ exit(1);
+ }
+
+ build_bonds_list();
+
+ bondtypes = (struct BondTypeList *)calloc(MAX_BOND_TYPES,
+ sizeof(struct BondTypeList));
+ if (bondtypes == NULL) {
+ fprintf(stderr,"Trouble allocating memory for bondtypes list - Exiting\n");
+ exit(1);
+ }
+
+ build_bondtypes_list();
+ }
+
+ if (total_no_angles > 0) {
+ angles = (struct AngleList *)calloc(total_no_angles,
+ sizeof(struct AngleList));
+ if (angles == NULL) {
+ fprintf(stderr,"Trouble allocating memory for angles list - Exiting\n");
+ exit(1);
+ }
+
+ build_angles_list();
+
+ angletypes = (struct AngleTypeList *)calloc(MAX_ANGLE_TYPES,
+ sizeof(struct AngleTypeList));
+ if (angletypes == NULL) {
+ fprintf(stderr,"Trouble allocating memory for angletypes list - Exiting\n");
+ exit(1);
+ }
+
+ build_angletypes_list();
+ }
+
+ if (total_no_dihedrals > 0) {
+
+ dihedrals = (struct DihedralList *)calloc(total_no_dihedrals,
+ sizeof(struct DihedralList));
+ if (dihedrals == NULL) {
+ fprintf(stderr,"Trouble allocating memory for dihedrals list - Exiting\n");
+ exit(1);
+ }
+
+ build_dihedrals_list();
+
+ dihedraltypes = (struct DihedralTypeList *)calloc(MAX_DIHEDRAL_TYPES,
+ sizeof(struct DihedralTypeList));
+ if (dihedraltypes == NULL) {
+ fprintf(stderr,"Trouble allocating memory for dihedraltypes list - Exiting\n");
+ exit(1);
+ }
+
+ build_dihedraltypes_list();
+ }
+
+ if (total_no_oops > 0) {
+ oops = (struct OOPList *)calloc(total_no_oops,sizeof(struct OOPList));
+ if (oops == NULL) {
+ fprintf(stderr,"Trouble allocating memory for oops list - Exiting\n");
+ exit(1);
+ }
+ build_oops_list();
+
+ ooptypes = (struct OOPTypeList *)calloc(MAX_OOP_TYPES,
+ sizeof(struct OOPTypeList));
+ if (ooptypes == NULL) {
+ fprintf(stderr,"Trouble allocating memory for ooptypes list - Exiting\n");
+ exit(1);
+ }
+
+ build_ooptypes_list();
+ }
+
+ if ((forcefield > 1) & (total_no_angle_angles > 0)) {
+
+ angleangles = (struct AngleAngleList *)calloc(total_no_angle_angles,
+ sizeof(struct AngleAngleList));
+ if (angleangles == NULL) {
+ fprintf(stderr,"Trouble allocating memory for angleangles list - Exiting\n");
+ exit(1);
+ }
+ build_angleangles_list();
+
+ angleangletypes = (struct AngleAngleTypeList *)calloc(MAX_ANGLEANGLE_TYPES,
+ sizeof(struct AngleAngleTypeList));
+ if (angleangletypes == NULL) {
+ fprintf(stderr,"Trouble allocating memory for angleangletypes list - Exiting\n");
+ exit(1);
+ }
+ build_angleangletypes_list();
+ }
+
+
+#ifdef PRINT_LISTS
+ fprintf(stderr,"Atom Types\n N Potential\n");
+ for (i=0; i < no_atom_types; i++) {
+ fprintf(stderr," %d %s\n",i,atomtypes[i].potential);
+ }
+
+ fprintf(stderr,"Atoms\n");
+ for (i=0; i < total_no_atoms; i++) {
+ fprintf(stderr,"Atom %3d %2d %-5s %7.4f %9.6f %9.6f %9.6f\n",
+ i,atoms[i].type,atoms[i].potential,atoms[i].q,
+ atoms[i].x[0],atoms[i].x[1],atoms[i].x[2]);
+ }
+
+ if (total_no_bonds > 0) {
+ fprintf(stderr,"Bond Types\n");
+ for (i=0; i < no_bond_types; i++) {
+ fprintf(stderr," %d %d %d %-s %-s\n",i,bondtypes[i].types[0],
+ bondtypes[i].types[1],
+ atomtypes[bondtypes[i].types[0]].potential,
+ atomtypes[bondtypes[i].types[1]].potential);
+ }
+
+ fprintf(stderr,"Bonds\n N Type I J\n");
+ for (i=0; i < total_no_bonds; i++) {
+ fprintf(stderr," %d %d %d %d\n",i,bonds[i].type,
+ bonds[i].members[0],
+ bonds[i].members[1]);
+ }
+ }
+
+ if (total_no_angles > 0) {
+ fprintf(stderr,"Angle Types\n");
+ for (i=0; i < no_angle_types; i++) {
+ fprintf(stderr," %d %d %d %d %-s %-s %-s\n",i,angletypes[i].types[0],
+ angletypes[i].types[1],angletypes[i].types[2],
+ atomtypes[angletypes[i].types[0]].potential,
+ atomtypes[angletypes[i].types[1]].potential,
+ atomtypes[angletypes[i].types[2]].potential);
+ }
+
+ fprintf(stderr,"Angles\n N Type I J K\n");
+ for (i=0; i < total_no_angles; i++) {
+ fprintf(stderr," %d %d %d %d %d\n",i,angles[i].type,
+ angles[i].members[0],
+ angles[i].members[1],
+ angles[i].members[2]);
+ }
+ }
+
+ if (total_no_dihedrals > 0) {
+ fprintf(stderr,"Dihedral Types\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(stderr," %d %d %d %d %d %-s %-s %-s %-s\n",i,
+ dihedraltypes[i].types[0],
+ dihedraltypes[i].types[1],
+ dihedraltypes[i].types[2],
+ dihedraltypes[i].types[3],
+ atomtypes[dihedraltypes[i].types[0]].potential,
+ atomtypes[dihedraltypes[i].types[1]].potential,
+ atomtypes[dihedraltypes[i].types[2]].potential,
+ atomtypes[dihedraltypes[i].types[3]].potential);
+ }
+
+ fprintf(stderr,"Dihedrals\n N Type I J K L\n");
+ for (i=0; i < total_no_dihedrals; i++) {
+ fprintf(stderr," %d %d %d %d %d %d\n",i,dihedrals[i].type,
+ dihedrals[i].members[0],
+ dihedrals[i].members[1],
+ dihedrals[i].members[2],
+ dihedrals[i].members[3]);
+ }
+ }
+
+ if (total_no_oops > 0) {
+ fprintf(stderr,"Oop Types\n");
+ for (i=0; i < no_oop_types; i++) {
+ fprintf(stderr," %d %d %d %d %d %-s %-s %-s %-s\n",i,
+ ooptypes[i].types[0],
+ ooptypes[i].types[1],
+ ooptypes[i].types[2],
+ ooptypes[i].types[3],
+ atomtypes[ooptypes[i].types[0]].potential,
+ atomtypes[ooptypes[i].types[1]].potential,
+ atomtypes[ooptypes[i].types[2]].potential,
+ atomtypes[ooptypes[i].types[3]].potential);
+ }
+
+ fprintf(stderr,"Oops\n N Type I J K L\n");
+ for (i=0; i < total_no_oops; i++) {
+ fprintf(stderr," %d %d %d %d %d %d\n",i,oops[i].type,
+ oops[i].members[0],
+ oops[i].members[1],
+ oops[i].members[2],
+ oops[i].members[3]);
+ }
+ }
+
+ if ((forcefield > 1) & (total_no_angle_angles > 0)) {
+
+ fprintf(stderr,"Angleangle Types\n");
+ for (i=0; i < no_angleangle_types; i++) {
+ fprintf(stderr," %d %d %d %d %d %-s %-s %-s %-s\n",i,
+ angleangletypes[i].types[0],
+ angleangletypes[i].types[1],
+ angleangletypes[i].types[2],
+ angleangletypes[i].types[3],
+ atomtypes[angleangletypes[i].types[0]].potential,
+ atomtypes[angleangletypes[i].types[1]].potential,
+ atomtypes[angleangletypes[i].types[2]].potential,
+ atomtypes[angleangletypes[i].types[3]].potential);
+ }
+ fprintf(stderr,"AngleAngles\n N Type I J K L\n");
+ for (i=0; i < total_no_angle_angles; i++) {
+ fprintf(stderr," %d %d %d %d %d %d\n",i,angleangles[i].type,
+ angleangles[i].members[0],
+ angleangles[i].members[1],
+ angleangles[i].members[2],
+ angleangles[i].members[3]);
+ }
+ }
+#endif
+
+ if (pflag > 1) {
+ fprintf(stderr,"\n");
+ fprintf(stderr," Number of bonds, types = %7d %3d\n",
+ total_no_bonds,no_bond_types);
+ fprintf(stderr," Number of angles, types = %7d %3d\n",
+ total_no_angles, no_angle_types);
+ fprintf(stderr," Number of dihedrals, types = %7d %3d\n",
+ total_no_dihedrals, no_dihedral_types);
+ fprintf(stderr," Number of out-of-planes, types = %7d %3d\n",
+ total_no_oops, no_oop_types);
+ if (forcefield ==2)
+ fprintf(stderr," Number of Angle Angle Terms, types = %7d %3d\n",
+ total_no_angle_angles, no_angleangle_types);
+ }
+}
+
+int count_bonds()
+{
+ int i,j,n;
+
+ for (n=0,i=0; i < total_no_atoms; i++) {
+ for (j=0; j < atoms[i].no_connect; j++) {
+ if (i < atoms[i].conn_no[j]) n++;
+ }
+ }
+ return n;
+}
+
+void build_bonds_list()
+{
+ int i,j,n;
+
+ for (n=0,i=0; i < total_no_atoms; i++) {
+ for (j=0; j < atoms[i].no_connect; j++) {
+ if (i < atoms[i].conn_no[j]) {
+ bonds[n ].type = 0;
+ bonds[n ].members[0] = i;
+ bonds[n++].members[1] = atoms[i].conn_no[j];
+ }
+ }
+ }
+return;
+}
+
+int count_angles()
+{
+ int i,j,k,n;
+
+ for (n=0,j=0; j < total_no_atoms; j++) {
+ if (atoms[j].no_connect > 1) {
+ for (i=0; i < atoms[j].no_connect-1; i++) {
+ for (k=i+1; k < atoms[j].no_connect; k++) {
+ n++;
+ }
+ }
+ }
+ }
+ return n;
+}
+
+void build_angles_list()
+{
+ int i,j,k,n;
+
+ for (n=0,j=0; j < total_no_atoms; j++) {
+ if (atoms[j].no_connect > 1) {
+ for (i=0; i < atoms[j].no_connect-1; i++) {
+ for (k=i+1; k < atoms[j].no_connect; k++) {
+ angles[n ].type = 0;
+ angles[n ].members[0] = atoms[j].conn_no[i];
+ angles[n ].members[1] = j;
+ angles[n++].members[2] = atoms[j].conn_no[k];
+ }
+ }
+ }
+ }
+return;
+}
+
+int count_dihedrals()
+{
+ int i,j,k,l,n;
+ int ii,kk,ll;
+
+ for (n=0,j=0; j < total_no_atoms; j++) {
+ if (atoms[j].no_connect > 1) {
+ for (kk=0; kk < atoms[j].no_connect; kk++) {
+ k = atoms[j].conn_no[kk];
+ if (atoms[k].no_connect > 1) {
+ if (j < k) {
+ for (ii=0; ii < atoms[j].no_connect; ii++) {
+ i = atoms[j].conn_no[ii];
+ if (i != k) {
+ for (ll=0; ll < atoms[k].no_connect; ll++) {
+ l = atoms[k].conn_no[ll];
+ if (l != j) n++;
+ }
+ }
+ }
+ }
+ }
+ }
+ }
+ }
+ return n;
+}
+
+void build_dihedrals_list()
+{
+ int i,j,k,l,n;
+ int ii,kk,ll;
+
+ for (n=0,j=0; j < total_no_atoms; j++) {
+ if (atoms[j].no_connect > 1) {
+ for (kk=0; kk < atoms[j].no_connect; kk++) {
+ k = atoms[j].conn_no[kk];
+ if (atoms[k].no_connect > 1) {
+ if (j < k) {
+ for (ii=0; ii < atoms[j].no_connect; ii++) {
+ i = atoms[j].conn_no[ii];
+ if (i != k) {
+ for (ll=0; ll < atoms[k].no_connect; ll++) {
+ l = atoms[k].conn_no[ll];
+ if (l != j) {
+ dihedrals[n ].type = 0;
+ dihedrals[n ].members[0] = i;
+ dihedrals[n ].members[1] = j;
+ dihedrals[n ].members[2] = k;
+ dihedrals[n++].members[3] = l;
+ }
+ }
+ }
+ }
+ }
+ }
+ }
+ }
+ }
+ return;
+}
+
+int
+count_oops()
+{
+ int j,n;
+
+ for (n=0,j=0; j < total_no_atoms; j++) {
+ if (atoms[j].no_connect == 3) n++;
+ }
+ return n;
+}
+
+void build_oops_list()
+{
+ int j,n;
+
+ for (n=0,j=0; j < total_no_atoms; j++) {
+
+ if (atoms[j].no_connect == 3) {
+ oops[n ].type = 0;
+ oops[n ].members[0] = atoms[j].conn_no[0];
+ oops[n ].members[1] = j;
+ oops[n ].members[2] = atoms[j].conn_no[1];
+ oops[n++].members[3] = atoms[j].conn_no[2];
+ }
+ }
+ return;
+}
+
+int count_angle_angles()
+{
+ int num_triples[10] = {0,0,0,4,10,20,35,56,84,120};
+ int j,n;
+
+ for (n=0,j=0; j < total_no_atoms; j++) {
+ n += num_triples[atoms[j].no_connect-1];
+ }
+ return n;
+}
+
+void build_angleangles_list()
+{
+ int i,j,k,l,nc,n;
+
+ for (n=0,j=0; j < total_no_atoms; j++) {
+ nc = atoms[j].no_connect;
+ if (nc > 3) {
+ for (i=0; i < nc-2; i++) {
+ for (k=i+1; k < nc-1; k++) {
+ for (l=k+1; l < nc; l++) {
+ angleangles[n].type = 0;
+ angleangles[n ].members[0] = atoms[j].conn_no[i];
+ angleangles[n ].members[1] = j;
+ angleangles[n ].members[2] = atoms[j].conn_no[k];
+ angleangles[n++].members[3] = atoms[j].conn_no[l];
+ }
+ }
+ }
+ }
+ }
+ return;
+}
+
+
+void build_atomtypes_list()
+{
+ int j,k,n,match,atom_type;
+
+ strncpy(atomtypes[0].potential,atoms[0].potential,5);
+ atoms[0].type = 0;
+
+ atomtypes[0].no_connect = atoms[0].no_connect;
+
+ for (n=1,j=1; j < total_no_atoms; j++) {
+ match = 0;
+ k = 0;
+ while (!match && (k < n)) {
+ if (strncmp(atomtypes[k].potential,atoms[j].potential,5) == 0) {
+ match = 1;
+ atom_type = k;
+ if (atomtypes[k].no_connect != atoms[j].no_connect) {
+ if (pflag > 0) fprintf(stderr," WARNING inconsistent # of connects on atom %d type %s\n",j,
+ atomtypes[k].potential);
+ }
+ }
+ else
+ k++;
+ }
+ if (match == 0) {
+ atom_type = n;
+ atomtypes[n].no_connect = atoms[j].no_connect;
+ strncpy(atomtypes[n++].potential,atoms[j].potential,5);
+ }
+ if (n >= MAX_ATOM_TYPES) {
+ fprintf(stderr,"Too many atom types (> 100) - error\n");
+ exit(1);
+ }
+ atoms[j].type = atom_type;
+ }
+ no_atom_types = n;
+ return;
+}
+
+void build_bondtypes_list() {
+ int j,k,n,match,bond_type;
+ int typei,typej;
+
+ for (n=0,j=0; j < total_no_bonds; j++) {
+ typei = atoms[bonds[j].members[0]].type;
+ typej = atoms[bonds[j].members[1]].type;
+ if (typej < typei) {
+ swap_ints(&typei,&typej);
+ swap_ints(&bonds[j].members[0],&bonds[j].members[1]);
+ }
+
+ match = 0;
+ k = 0;
+ while (!match && (k < n)) {
+ if ((typei == bondtypes[k].types[0]) &&
+ (typej == bondtypes[k].types[1])) {
+ match = 1;
+ bond_type = k;
+ }
+ else
+ k++;
+ }
+ if (match == 0) {
+ bond_type = n;
+ bondtypes[n ].types[0] = typei;
+ bondtypes[n++].types[1] = typej;
+ }
+ if (n >= MAX_BOND_TYPES) {
+ fprintf(stderr,"Too many bond types (> 200) - error\n");
+ exit(1);
+ }
+
+ bonds[j].type = bond_type;
+ }
+ no_bond_types = n;
+ return;
+}
+
+void build_angletypes_list()
+{
+ int j,k,n,match,angle_type;
+ int typei,typej,typek;
+
+ for (n=0,j=0; j < total_no_angles; j++) {
+ typei = atoms[angles[j].members[0]].type;
+ typej = atoms[angles[j].members[1]].type;
+ typek = atoms[angles[j].members[2]].type;
+ if (typek < typei) {
+ swap_ints(&typei,&typek);
+ swap_ints(&angles[j].members[0],&angles[j].members[2]);
+ }
+
+ match = 0;
+ k = 0;
+ while (!match && (k < n)) {
+ if ((typei == angletypes[k].types[0]) &&
+ (typej == angletypes[k].types[1]) &&
+ (typek == angletypes[k].types[2])) {
+ match = 1;
+ angle_type = k;
+ }
+ else
+ k++;
+ }
+ if (match == 0) {
+ angle_type = n;
+ angletypes[n ].types[0] = typei;
+ angletypes[n ].types[1] = typej;
+ angletypes[n++].types[2] = typek;
+ }
+ if (n >= MAX_ANGLE_TYPES) {
+ fprintf(stderr,"Too many angle types (> 300) - error\n");
+ exit(1);
+ }
+ angles[j].type = angle_type;
+ }
+ no_angle_types = n;
+ return;
+}
+
+void build_dihedraltypes_list()
+{
+ int j,k,n,match,dihedral_type;
+ int typei,typej,typek,typel;
+
+ for (n=0,j=0; j < total_no_dihedrals; j++) {
+ typei = atoms[dihedrals[j].members[0]].type;
+ typej = atoms[dihedrals[j].members[1]].type;
+ typek = atoms[dihedrals[j].members[2]].type;
+ typel = atoms[dihedrals[j].members[3]].type;
+ if ((typek < typej) || ((typej == typek) && (typel < typei))) {
+ swap_ints(&typej,&typek);
+ swap_ints(&dihedrals[j].members[1],&dihedrals[j].members[2]);
+ swap_ints(&typei,&typel);
+ swap_ints(&dihedrals[j].members[0],&dihedrals[j].members[3]);
+ }
+
+ match = 0;
+ k = 0;
+ while (!match && (k < n)) {
+ if ((typei == dihedraltypes[k].types[0]) &&
+ (typej == dihedraltypes[k].types[1]) &&
+ (typek == dihedraltypes[k].types[2]) &&
+ (typel == dihedraltypes[k].types[3])) {
+ match = 1;
+ dihedral_type = k;
+ }
+ else
+ k++;
+ }
+ if (match == 0) {
+ dihedral_type = n;
+ dihedraltypes[n ].types[0] = typei;
+ dihedraltypes[n ].types[1] = typej;
+ dihedraltypes[n ].types[2] = typek;
+ dihedraltypes[n++].types[3] = typel;
+ }
+ if (n >= MAX_DIHEDRAL_TYPES) {
+ fprintf(stderr,"Too many dihedral types (> 400) - error\n");
+ exit(1);
+ }
+ dihedrals[j].type = dihedral_type;
+ }
+ no_dihedral_types = n;
+ return;
+}
+
+void build_ooptypes_list()
+{
+ int j,k,n,match,oop_type;
+ int temp_types[3],temp_pos[3];
+ int typei,typej,typek,typel;
+
+ for (n=0,j=0; j < total_no_oops; j++) {
+ typei = atoms[oops[j].members[0]].type;
+ typej = atoms[oops[j].members[1]].type;
+ typek = atoms[oops[j].members[2]].type;
+ typel = atoms[oops[j].members[3]].type;
+ temp_types[0] = typei;
+ temp_types[1] = typek;
+ temp_types[2] = typel;
+
+ bubble_sort(3,temp_types,temp_pos);
+
+ typei = temp_types[0];
+ typek = temp_types[1];
+ typel = temp_types[2];
+ temp_types[0] = oops[j].members[0];
+ temp_types[1] = oops[j].members[2];
+ temp_types[2] = oops[j].members[3];
+ oops[j].members[0] = temp_types[temp_pos[0]];
+ oops[j].members[2] = temp_types[temp_pos[1]];
+ oops[j].members[3] = temp_types[temp_pos[2]];
+
+ match = 0;
+ k = 0;
+ while (!match && (k < n)) {
+ if ((typei == ooptypes[k].types[0]) &&
+ (typej == ooptypes[k].types[1]) &&
+ (typek == ooptypes[k].types[2]) &&
+ (typel == ooptypes[k].types[3])) {
+ match = 1;
+ oop_type = k;
+ }
+ else
+ k++;
+ }
+ if (match == 0) {
+
+ oop_type = n;
+ ooptypes[n ].types[0] = typei;
+ ooptypes[n ].types[1] = typej;
+ ooptypes[n ].types[2] = typek;
+ ooptypes[n++].types[3] = typel;
+ }
+ if (n >= MAX_OOP_TYPES) {
+ fprintf(stderr,"Too many oop types (> 400) - error\n");
+ exit(1);
+ }
+ oops[j].type = oop_type;
+ }
+ no_oop_types = n;
+ return;
+}
+
+void build_angleangletypes_list()
+{
+ int j,k,n,match,angleangle_type;
+ int temp_types[3],temp_pos[3];
+ int typei,typej,typek,typel;
+
+ for (n=0,j=0; j < total_no_angle_angles; j++) {
+
+ typei = atoms[angleangles[j].members[0]].type;
+ typej = atoms[angleangles[j].members[1]].type;
+ typek = atoms[angleangles[j].members[2]].type;
+ typel = atoms[angleangles[j].members[3]].type;
+
+ temp_types[0] = typei;
+ temp_types[1] = typek;
+ temp_types[2] = typel;
+
+ bubble_sort(3,temp_types,temp_pos);
+
+ typei = temp_types[0];
+ typek = temp_types[1];
+ typel = temp_types[2];
+
+ temp_types[0] = angleangles[j].members[0];
+ temp_types[1] = angleangles[j].members[2];
+ temp_types[2] = angleangles[j].members[3];
+
+ angleangles[j].members[0] = temp_types[temp_pos[0]];
+ angleangles[j].members[2] = temp_types[temp_pos[1]];
+ angleangles[j].members[3] = temp_types[temp_pos[2]];
+
+ match = 0;
+ k = 0;
+ while (!match && (k < n)) {
+ if ((typei == angleangletypes[k].types[0]) &&
+ (typej == angleangletypes[k].types[1]) &&
+ (typek == angleangletypes[k].types[2]) &&
+ (typel == angleangletypes[k].types[3])) {
+ match = 1;
+ angleangle_type = k;
+ }
+ else
+ k++;
+ }
+ if (match == 0) {
+ angleangle_type = n;
+ angleangletypes[n ].types[0] = typei;
+ angleangletypes[n ].types[1] = typej;
+ angleangletypes[n ].types[2] = typek;
+ angleangletypes[n++].types[3] = typel;
+ }
+
+ if (n >= MAX_ANGLEANGLE_TYPES) {
+ fprintf(stderr,"Too many angleangle types (> 400) - error\n");
+ exit(1);
+ }
+ angleangles[j].type = angleangle_type;
+ }
+ no_angleangle_types = n;
+ return;
+}
+
+void swap_ints(int *i, int *j)
+{
+ int temp;
+
+ temp = *i;
+ *i = *j;
+ *j = temp;
+
+ return;
+}
+
+void bubble_sort(int n, int *val, int *pos)
+{
+ int i,j;
+
+ for (i=0; i < n; i++) pos[i] = i;
+ for (i=0; i < n-1; i++) {
+ for (j=1; j < n; j++) {
+ if (val[j] < val[i]) {
+ swap_ints(&val[i],&val[j]);
+ swap_ints(&pos[i],&pos[j]);
+ }
+ }
+ }
+}
+
diff --git a/tools/msi2lmp/src/Makefile b/tools/msi2lmp/src/Makefile
new file mode 100644
index 0000000000..21ac46268e
--- /dev/null
+++ b/tools/msi2lmp/src/Makefile
@@ -0,0 +1,37 @@
+
+TARGET = msi2lmp.exe
+
+SRCS = msi2lmp.c \
+ ReadCarFile.c \
+ ReadMdfFile.c \
+ MakeLists.c \
+ ReadFrcFile.c \
+ InitializeItems.c \
+ SearchAndFill.c \
+ GetParameters.c \
+ CheckLists.c \
+ WriteDataFile05.c \
+ WriteDataFile01.c
+
+OBJS = $(SRCS:.c=.o)
+
+HEADERS = Msi2LMP2.h Forcefield.h
+
+CC = gcc
+CFLAGS = -O2
+FRCFILE = cvff.frc
+FRCFILE2 = cff91.frc
+README = README
+MKFILE = Makefile
+
+$(TARGET) : $(OBJS)
+ $(CC) $(CFLAGS) -o $(TARGET) $(OBJS) -lm
+
+$(OBJS) : $(HEADERS)
+
+.c.o:
+ $(CC) $(CFLAGS) -c $<
+clean:
+ rm -f $(OBJS) $(TARGET)
+
+
diff --git a/tools/msi2lmp/src/Msi2LMP2.h b/tools/msi2lmp/src/Msi2LMP2.h
new file mode 100644
index 0000000000..ed79c26117
--- /dev/null
+++ b/tools/msi2lmp/src/Msi2LMP2.h
@@ -0,0 +1,209 @@
+/********************************
+*
+* Header file for Msi2LMP2 conversion program.
+*
+* Msi2lmp3
+*
+* This is the header file for the third version of a program
+* that generates a LAMMPS data file based on the information
+* in an MSI car file (atom coordinates) and mdf file (molecular
+* topology). A key part of the program looks up forcefield parameters
+* from an MSI frc file.
+*
+* The first version was written by Steve Lustig at Dupont, but
+* required using Discover to derive internal coordinates and
+* forcefield parameters
+*
+* The second version was written by Michael Peachey while an
+* intern in the Cray Chemistry Applications Group managed
+* by John Carpenter. This version derived internal coordinates
+* from the mdf file and looked up parameters in the frc file
+* thus eliminating the need for Discover.
+*
+* The third version was written by John Carpenter to optimize
+* the performance of the program for large molecular systems
+* (the original code for derving atom numbers was quadratic in time)
+* and to make the program fully dynamic. The second version used
+* fixed dimension arrays for the internal coordinates.
+*
+* John Carpenter can be contacted by sending email to
+* jec374@earthlink.net
+*
+* November 2000
+*
+*/
+
+# include <string.h>
+# include <stddef.h>
+# include <stdio.h>
+# include <stdlib.h>
+# include <math.h>
+
+#ifdef MAIN
+#define _EX
+#define _ARG(arg) = (arg)
+#else
+#define _EX extern
+#define _ARG(arg)
+#endif
+
+#define MAX_ATOM_TYPES 100
+#define MAX_BOND_TYPES 200
+#define MAX_ANGLE_TYPES 300
+#define MAX_DIHEDRAL_TYPES 400
+#define MAX_OOP_TYPES 400
+#define MAX_ANGLEANGLE_TYPES 400
+#define MAX_TYPES 12000
+#define MAX_MEMBERS 5
+#define MAX_LINE_LENGTH 200
+#define MAX_PARAMS 8
+#define PI_180 0.01745329252
+#define MAX_CONNECTIONS 6
+#define MAX_STRING 50
+
+struct ResidueList {
+ int start;
+ int end;
+ char name[16];
+};
+
+struct MoleculeList {
+ int start;
+ int end;
+ int no_residues;
+ struct ResidueList *residue;
+};
+
+/* Internal coodinate Lists */
+
+struct BondList {
+ int type;
+ int members[2];
+};
+
+struct AngleList {
+ int type;
+ int members[3];
+};
+
+struct DihedralList {
+ int type;
+ int members[4];
+};
+
+struct OOPList {
+ int type;
+ int members[4];
+};
+
+struct AngleAngleList {
+ int type;
+ int members[4];
+};
+
+/* Internal coodinate Types Lists */
+
+
+struct AtomTypeList
+{
+ char potential[5];
+ float mass;
+ double params[2];
+ int no_connect;
+};
+
+struct BondTypeList {
+ int types[2];
+ double params[4];
+};
+
+struct AngleTypeList {
+ int types[3];
+ double params[4];
+ double bondangle_cross_term[4];
+ double bondbond_cross_term[3];
+};
+
+struct DihedralTypeList {
+ int types[4];
+ double params[6];
+ double endbonddihedral_cross_term[8];
+ double midbonddihedral_cross_term[4];
+ double angledihedral_cross_term[8];
+ double angleangledihedral_cross_term[3];
+ double bond13_cross_term[3];
+};
+
+struct OOPTypeList {
+ int types[4];
+ double params[3];
+ double angleangle_params[6];
+};
+
+struct AngleAngleTypeList {
+ int types[4];
+ double params[6];
+};
+
+/* ---------------------------------------------- */
+
+struct Atom {
+ int molecule; /* molecule id */
+ int no; /* atom id */
+ char name[10]; /* atom name */
+ double x[3]; /* position vector */
+ char potential[5]; /* atom potential type */
+ char element[2]; /* atom element */
+ float q; /* charge */
+ char residue_string[16]; /* residue string */
+ int no_connect; /* number of connections to atom */
+ char connections[MAX_CONNECTIONS][MAX_STRING]; /* long form, connection name*/
+ double bond_order[6];
+ int conn_no[6]; /* Atom number to which atom is connected */
+ int type;
+};
+
+
+_EX char rootname[20];
+_EX char path[20];
+_EX double pbc[9];
+_EX int periodic _ARG( 1 ); /* 0= nonperiodic 1= 3-D periodic */
+_EX int forcefield _ARG( 0 ); /* 0= ClassI 1= ClassII */
+_EX int pflag;
+_EX int *no_atoms;
+_EX int no_molecules;
+_EX int replicate[3];
+_EX int total_no_atoms;
+_EX int total_no_bonds;
+_EX int total_no_angles;
+_EX int total_no_dihedrals;
+_EX int total_no_angle_angles;
+_EX int total_no_oops;
+_EX int no_atom_types;
+_EX int no_bond_types;
+_EX int no_angle_types;
+_EX int no_dihedral_types;
+_EX int no_oop_types;
+_EX int no_angleangle_types;
+_EX char FrcFileName[MAX_LINE_LENGTH];
+_EX FILE *CarF;
+_EX FILE *FrcF;
+_EX FILE *PrmF;
+_EX FILE *MdfF;
+_EX FILE *RptF;
+_EX struct Atom *atoms;
+_EX struct MoleculeList *molecule;
+_EX struct BondList *bonds;
+_EX struct AngleList *angles;
+_EX struct DihedralList *dihedrals;
+_EX struct OOPList *oops;
+_EX struct AngleAngleList *angleangles;
+_EX struct AtomTypeList *atomtypes;
+_EX struct BondTypeList *bondtypes;
+_EX struct AngleTypeList *angletypes;
+_EX struct DihedralTypeList *dihedraltypes;
+_EX struct OOPTypeList *ooptypes;
+_EX struct AngleAngleTypeList *angleangletypes;
+#undef _EX
+#undef _ARG
+
diff --git a/tools/msi2lmp/src/ReadCarFile.c b/tools/msi2lmp/src/ReadCarFile.c
new file mode 100644
index 0000000000..51bc707f71
--- /dev/null
+++ b/tools/msi2lmp/src/ReadCarFile.c
@@ -0,0 +1,171 @@
+/*
+* This function opens the .car file and extracts coordinate information
+* into the atoms Atom structure
+*/
+
+#include "Msi2LMP2.h"
+
+void ReadCarFile(void)
+{
+ char line[MAX_LINE_LENGTH]; /* Stores lines as they are read in */
+ int k,m,n; /* counters */
+ int skip; /* lines to skip at beginning of file */
+ double lowest, highest; /* temp coordinate finding variables */
+ double total_q;
+
+/* Open .car file for reading */
+
+ sprintf(line,"%s.car",rootname);
+ if (pflag > 0) fprintf(stderr," Reading car file: %s\n",line);
+ if( (CarF = fopen(line,"r")) == NULL ) {
+ fprintf(stderr,"Cannot open %s\n",line);
+ exit(2);
+ }
+
+/* Determine Number of molecules & atoms */
+
+ rewind(CarF);
+ no_molecules = -1; /* Set to -1 because counter will be incremented an
+ extra time at the end of the file */
+
+ fgets(line,MAX_LINE_LENGTH,CarF); /* Read header line */
+
+/* Check for periodicity, if present, read cell constants */
+
+ if( strncmp(fgets(line,MAX_LINE_LENGTH,CarF),"PBC=ON",6) == 0) {
+ periodic = 1;
+ skip = 5; /* Data starts 5 lines from beginning of file */
+ fgets(line,MAX_LINE_LENGTH,CarF); /* Comment line */
+ fgets(line,MAX_LINE_LENGTH,CarF); /* Date stamp */
+ fscanf(CarF,"%*s %lf %lf %lf %lf %lf %lf %*s",
+ &pbc[0],&pbc[1],&pbc[2],&pbc[3],&pbc[4],&pbc[5]);
+ if(pbc[3] != 90.0 || pbc[4] != 90.0 || pbc[5] != 90.0) {
+ fprintf(stderr,"The system is not rectangular- LAMMPS can't handle it!!");
+ exit(2);
+ }
+ }
+ else {
+ periodic = 0;
+ skip = 4;
+ if (pflag > 1) {
+ fprintf(stderr," %s is not a periodic system\n", rootname);
+ fprintf(stderr," Assigning cell parameters based on coordinates\n");
+ }
+ fgets(line,MAX_LINE_LENGTH, CarF); /* Comment line */
+ fgets(line,MAX_LINE_LENGTH, CarF); /* Date Stamp */
+ }
+
+/* First pass through file -- Count molecules */
+
+ while(fgets(line,MAX_LINE_LENGTH,CarF) != NULL )
+ if( strncmp(line,"end",3) == 0 )
+ no_molecules++;
+
+/* Allocate space to keep track of the number of atoms within a molecule */
+
+ no_atoms = (int *) calloc(no_molecules,sizeof(int));
+ if ( no_atoms == NULL ) {
+ fprintf(stderr,"Could not allocate memory for no_atoms\n");
+ exit(2);
+ }
+
+/* Second pass through file -- Count atoms */
+
+ rewind(CarF);
+ for(n=0; n < skip; n++) /* Skip beginning lines */
+ fgets(line,MAX_LINE_LENGTH,CarF);
+
+ for(n=0; n < no_molecules; n++)
+ while( strncmp(fgets(line,MAX_LINE_LENGTH,CarF),"end",3) )
+ no_atoms[n]++;
+
+ for( total_no_atoms=0, n=0; n < no_molecules; n++ )
+ total_no_atoms += no_atoms[n];
+
+ molecule = (struct MoleculeList *) calloc(no_molecules,
+ sizeof(struct MoleculeList));
+ if (molecule == NULL) {
+ fprintf(stderr,"Unable to allocate memory for molecule structure\n");
+ exit(2);
+ }
+ molecule[0].start = 0;
+ molecule[0].end = no_atoms[0];
+ for (n=1; n < no_molecules; n++) {
+ molecule[n].start = molecule[n-1].end;
+ molecule[n].end = molecule[n].start + no_atoms[n];
+ }
+
+/* Allocate space for atoms Atom structures */
+
+ atoms = (struct Atom *) calloc(total_no_atoms,sizeof(struct Atom));
+ if( atoms == NULL ) {
+ fprintf(stderr,"Could not allocate memory for AtomList\n");
+ exit(2);
+ }
+
+/* Third pass through file -- Read+Parse Car File */
+
+ rewind(CarF);
+ for(n=0; n < skip; n++)
+ fgets(line,MAX_LINE_LENGTH,CarF);
+
+ for(m=0; m < no_molecules; m++) {
+ for(k=molecule[m].start; k <
+ molecule[m].end; k++) {
+
+ atoms[k].molecule = m;
+ atoms[k].no = k;
+
+ fscanf(CarF,"%s %lf %lf %lf %*s %*s %s %s %f",
+ atoms[k].name,
+ &(atoms[k].x[0]),
+ &(atoms[k].x[1]),
+ &(atoms[k].x[2]),
+ atoms[k].potential,
+ atoms[k].element,
+ &(atoms[k].q));
+ }
+ fgets(line,MAX_LINE_LENGTH,CarF);
+ fgets(line,MAX_LINE_LENGTH,CarF);
+
+ } /* End m (molecule) loop */
+
+ for (total_q=0.0,k=0; k < total_no_atoms; k++)
+ total_q += atoms[k].q;
+
+ if (pflag > 1) {
+ fprintf(stderr," There are %d atoms in %d molecules in this file\n",
+ total_no_atoms,no_molecules);
+ fprintf(stderr," The total charge in the system is %7.3f.\n\n",total_q);
+ }
+
+/* Search coordinates to find lowest and highest for x, y, and z */
+
+ if (periodic == 0) {
+ for ( k = 0; k < 3; k++) {
+ lowest = atoms[0].x[k];
+ highest = atoms[0].x[k];
+
+ for ( m = 1; m < total_no_atoms; m++) {
+ if (atoms[m].x[k] < lowest) lowest = atoms[m].x[k];
+ if (atoms[m].x[k] > highest) highest = atoms[m].x[k];
+ }
+ pbc[k] = lowest;
+ pbc[k+3] = highest;
+ }
+ }
+ else {
+ for (k=0; k < 3; k++) {
+ pbc[k+3] = pbc[k];
+ pbc[k] = 0.0;
+ }
+ }
+
+/* Close .car file */
+
+ if (fclose(CarF) !=0) {
+ fprintf(stderr,"Error closing %s.car\n", rootname);
+ exit(1);
+ }
+}
+/* End ReadCarFile() */
diff --git a/tools/msi2lmp/src/ReadFrcFile.c b/tools/msi2lmp/src/ReadFrcFile.c
new file mode 100644
index 0000000000..229f34b7fd
--- /dev/null
+++ b/tools/msi2lmp/src/ReadFrcFile.c
@@ -0,0 +1,88 @@
+/*
+* This routine reads the data from a .frc forcefield file and stores it in
+* dynamically allocated memory. This allows for fast searches of the
+* file.
+*
+*/
+
+#define FF_MAIN
+
+#include "Forcefield.h"
+#include "Msi2LMP2.h"
+
+void ReadFrcFile(void)
+{
+ extern void InitializeItems(void);
+ extern void SearchAndFill(struct FrcFieldItem *item);
+
+ /* Open Forcefield File */
+ if ( (FrcF = fopen(FrcFileName,"r")) == NULL ) {
+ fprintf(stderr,"Cannot open %s\n", FrcFileName);
+ exit(2);
+ }
+ InitializeItems(); /* sets keywords, number of members and number of
+ parameters for each structure */
+ /* allocate memory to and search and fill each structure */
+
+
+ SearchAndFill(&ff_atomtypes);
+ SearchAndFill(&equivalence);
+ SearchAndFill(&ff_vdw);
+ SearchAndFill(&ff_bond);
+ SearchAndFill(&ff_ang);
+ SearchAndFill(&ff_tor);
+ SearchAndFill(&ff_oop);
+
+ if (forcefield != 1) { /* Skip cross terms for class I */
+ SearchAndFill(&ff_bonbon);
+ SearchAndFill(&ff_bonang);
+ SearchAndFill(&ff_angtor);
+ SearchAndFill(&ff_angangtor);
+ SearchAndFill(&ff_endbontor);
+ SearchAndFill(&ff_midbontor);
+ SearchAndFill(&ff_bonbon13);
+ SearchAndFill(&ff_angang);
+ }
+ if (pflag > 1) {
+
+ fprintf(stderr,"\n Item %s has %d entries\n",
+ ff_atomtypes.keyword,ff_atomtypes.entries);
+ fprintf(stderr," Item %s has %d entries\n",
+ equivalence.keyword,equivalence.entries);
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_vdw.keyword,ff_vdw.entries);
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_bond.keyword,ff_bond.entries);
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_ang.keyword,ff_ang.entries);
+ if (forcefield > 1) {
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_bonbon.keyword,ff_bonbon.entries);
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_bonang.keyword,ff_bonang.entries);
+ }
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_tor.keyword,ff_tor.entries);
+ if (forcefield > 1) {
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_angtor.keyword,ff_angtor.entries);
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_angangtor.keyword,ff_angangtor.entries);
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_endbontor.keyword,ff_endbontor.entries);
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_midbontor.keyword,ff_midbontor.entries);
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_bonbon13.keyword,ff_bonbon13.entries);
+ }
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_oop.keyword,ff_oop.entries);
+ if (forcefield > 1) {
+ fprintf(stderr," Item %s has %d entries\n",
+ ff_angang.keyword,ff_angang.entries);
+ }
+ fprintf(stderr,"\n");
+ }
+ fclose(FrcF);
+}
+
diff --git a/tools/msi2lmp/src/ReadMdfFile.c b/tools/msi2lmp/src/ReadMdfFile.c
new file mode 100644
index 0000000000..9302dd512d
--- /dev/null
+++ b/tools/msi2lmp/src/ReadMdfFile.c
@@ -0,0 +1,425 @@
+/******************************
+*
+* This function opens the .mdf file and extracts connectivity information
+* into the atoms Atom structure. It also updates the charge from the .car
+* file because the charge in the .mdf file has more significant figures.
+*
+*/
+
+#include "Msi2LMP2.h"
+
+/* Prototype for function to process a single atom
+ Returns int that flags end of data file */
+
+int get_molecule(char line[], int connect_col_no,
+ int q_col_no, int *counter);
+
+/* Prototype for function that takes connectivty record as stated in
+ .mdf file and fills in any default values */
+void MakeConnectFullForm(int *counter);
+
+/* prototype for function to clean strange characters out of strings */
+
+void clean_string(char *);
+
+void ReadMdfFile(void)
+{
+ char line[MAX_LINE_LENGTH]; /* Temporary storage for reading lines */
+ char *col_no; /* Pointer to column number stored as char */
+ char *col_name; /* Pointer to column name */
+ int connect_col_no = 0; /* Column number where connection info begins */
+ int q_col_no = 0; /* Column number containg charge information */
+ int column_flag=0; /* Flag for finding connect and q col no */
+ int atom_counter=0; /* Keeps track of current atom number */
+ int p_flag = 1; /* return value from ProcessConnections() */
+
+ int i,j,k,kk,l,n,match,match2,status;
+ char *temp_string;
+ char *temp_residue;
+ char *temp_atom_name;
+ char *sptr;
+ char *molecule_name;
+ unsigned char at_end = 0;
+
+/* Open .mdf file for reading */
+
+
+ sprintf(line,"%s.mdf",rootname);
+ if (pflag > 0) fprintf(stderr," Reading mdf file: %s\n",line);
+ if ((MdfF = fopen(line,"r")) == NULL ) {
+ fprintf(stderr,"Cannot open %s\n",line);
+ exit(2);
+ }
+
+ while (!at_end) {
+
+ sptr = fgets(line,MAX_LINE_LENGTH,MdfF);
+
+ if (sptr != NULL) {
+
+ clean_string(line);
+
+ if (strncmp(line,"#end",4) == 0) {
+ at_end = 1;
+ }
+ else if (strncmp(line,"@column",7) == 0) {
+
+ temp_string = strtok(line," ");
+ col_no = strtok(NULL," ");
+ col_name = strtok(NULL," ");
+ if (strncmp(col_name,"charge",6) == 0) {
+ if (strlen(col_name) < 8) {
+ q_col_no = atoi(col_no);
+ }
+ }
+ else if (strncmp(col_name,"connect",7) == 0) {
+ connect_col_no = atoi(col_no);
+ }
+ }
+ else if (strncmp(line,"@molecule",9) == 0) {
+ temp_string = strtok(line," ");
+ molecule_name = strtok(NULL," ");
+
+ if ((q_col_no == 0) | (connect_col_no == 0)) {
+ fprintf(stderr,"Unable to process molecule without knowing charge\n");
+ fprintf(stderr,"and connections columns\n");
+ }
+ sptr = fgets(line,MAX_LINE_LENGTH,MdfF);
+ status = get_molecule(line,connect_col_no,q_col_no,&atom_counter);
+ if (status == 0) {
+ fprintf(stderr,"Trouble reading molecule - exiting\n");
+ }
+ }
+ else {
+ }
+ }
+ else {
+ fprintf(stderr,"End of File found or error reading line\n");
+ at_end = 1;
+ }
+ }
+
+ /* Next build list of residues for each molecule This will
+ facilitate assigning connections numbers as well as figuring
+ out bonds, angles, etc. This first loop just figures out the
+ number of residues in each molecule and allocates memory to
+ store information for each residue. The second loop fills
+ in starting and ending atom positions for each residue
+ */
+
+ temp_string = calloc(16,sizeof(char));
+ temp_string[15] = '\0';
+
+ for (n=0; n < no_molecules; n++) {
+ molecule[n].no_residues = 1;
+
+ strncpy(temp_string,atoms[molecule[n].start].residue_string,16);
+ for (i=molecule[n].start+1; i < molecule[n].end; i++) {
+ if (strncmp(temp_string,atoms[i].residue_string,16) != 0) {
+ molecule[n].no_residues++;
+ strncpy(temp_string,atoms[i].residue_string,16);
+ }
+ }
+
+ molecule[n].residue = (struct ResidueList *)
+ calloc(molecule[n].no_residues, sizeof(struct ResidueList));
+
+ if (molecule[n].residue == NULL) {
+ fprintf(stderr,"Unable to allocate memory for residue list - molecule %d\n",
+ n);
+ exit(1);
+ }
+ }
+ for (n=0; n < no_molecules; n++) {
+ j = 0;
+ strncpy(molecule[n].residue[j].name,
+ atoms[molecule[n].start].residue_string,16);
+
+ molecule[n].residue[j].start = molecule[n].start;
+ for (i=molecule[n].start+1; i < molecule[n].end; i++) {
+ if (strncmp(molecule[n].residue[j].name,
+ atoms[i].residue_string,16) != 0) {
+
+ molecule[n].residue[j].end = i;
+ molecule[n].residue[++j].start = i;
+ strncpy(molecule[n].residue[j].name,atoms[i].residue_string,16);
+ }
+ }
+ molecule[n].residue[j].end = molecule[n].end;
+ /*
+ fprintf(stderr,"Molecule %d has %d residues",n,molecule[n].no_residues);
+ for (i=0; i < molecule[n].no_residues; i++) {
+ fprintf(stderr," %s",molecule[n].residue[i].name);
+ }
+ fprintf(stderr,"\n");
+ for (i=molecule[n].start; i < molecule[n].end; i++) {
+ fprintf(stderr," atom %d residue %s\n",i,atoms[i].residue_string);
+ }
+ fprintf(stderr," residue %s start %d end %d\n",molecule[n].residue[i].name,
+ molecule[n].residue[i].start,molecule[n].residue[i].end);
+ }
+ */
+ }
+
+ /* Assign atom names in connections[] to corresponding atom numbers */
+
+ for (n=0; n < no_molecules; n++) {
+ for (j=0; j < molecule[n].no_residues; j++) {
+ for (i=molecule[n].residue[j].start; i < molecule[n].residue[j].end;
+ i++) {
+ for (l=0; l < atoms[i].no_connect; l++) {
+ strncpy(temp_string,atoms[i].connections[l],16);
+ temp_residue = strtok(temp_string,":");
+ temp_atom_name = strtok(NULL,"%");
+
+ if (strcmp(temp_residue,molecule[n].residue[j].name) == 0) {
+
+ /* atom and connection are part of same residue
+ Search names on just that residue */
+
+ k = molecule[n].residue[j].start;
+ match = 0;
+ while (!match && (k < molecule[n].residue[j].end)) {
+ if (strcmp(atoms[k].name,temp_atom_name) == 0) {
+ atoms[i].conn_no[l] = k;
+ match = 1;
+ }
+ else
+ k++;
+ }
+ if (match == 0) {
+ fprintf(stderr,"Unable to resolve atom number of atom %d conn %d string %s:%s\n Something is wrong in the MDF file\n",
+ i,l,temp_residue,temp_atom_name);
+ exit(1);
+ }
+ }
+ else {
+
+ /* atom and connection are on different residues
+ First find the residue that the connection is
+ on then loop over its atoms
+ */
+
+ k=0;
+ match = 0;
+ while (!match && (k < molecule[n].no_residues)) {
+ if (strcmp(temp_residue,molecule[n].residue[k].name) == 0) {
+ kk = molecule[n].residue[k].start;
+ match2 = 0;
+ while (!match2 && (kk < molecule[n].residue[k].end)) {
+ if (strcmp(atoms[kk].name,temp_atom_name) == 0) {
+ atoms[i].conn_no[l] = kk;
+ match2 = 1;
+ }
+ else
+ kk++;
+ }
+ if (match2 == 0) {
+ fprintf(stderr,"Unable to resolve atom number of atom %d conn %d string %s\n Something is wrong in the MDF file\n",
+ i,l,atoms[i].connections[l]);
+ exit(1);
+ }
+ match = 1;
+ }
+ else
+ k++;
+ }
+ if (match == 0) {
+ fprintf(stderr,"Unable to find residue associated with conn %d %s on atom %d\n Something is wrong in the MDF file\n", l,atoms[i].connections[l],i);
+ exit(1);
+ }
+ } /* end if */
+ } /* l - loop over connections on atom i */
+
+ } /* i - loop on atoms in residue j molecule n */
+
+ } /* j - loop on residues in molecule n */
+
+ } /* n - loop over molecules */
+
+ free(temp_string);
+ /*
+ for (n=0; n < no_molecules; n++) {
+
+ fprintf(stderr,"Molecule %d has %d residues\n",n,molecule[n].no_residues);
+ for (j=0; j < molecule[n].no_residues; j++) {
+ fprintf(stderr," Residue %d named %s\n",j,molecule[n].residue[j].name);
+ for (i=molecule[n].residue[j].start; i < molecule[n].residue[j].end;
+ i++) {
+ fprintf(stderr," Atom %d type %s connected to ",i,atoms[i].potential);
+ for (l=0; l < atoms[i].no_connect; l++) fprintf(stderr," %d ",
+ atoms[i].conn_no[l]);
+ fprintf(stderr,"\n");
+ }
+ }
+ }
+
+*/
+
+/* Close .mdf file */
+
+ if (fclose(MdfF) !=0) {
+ printf("Error closing %s.car\n", rootname);
+ exit(1);
+ }
+
+} /* End ReadMdfFile function */
+
+/*--------------------- get_molecule Function-----------------------*/
+
+int get_molecule(char *line, int connect_col_no, int q_col_no,
+ int *counter)
+{
+ char *cur_field; /* For storing current string token */
+ int i; /* Used in loop counters */
+ int connect_no; /* Connection number within atom */
+ int r_val = 1; /* Return value. 1 = successful
+ 0 = EOF encountered */
+ /* Loop over atoms */
+
+ /* blank line signals end of molecule*/
+ while(!blank_line(fgets(line,MAX_LINE_LENGTH,MdfF))) {
+ /* while(strlen(fgets(line,MAX_LINE_LENGTH,MdfF)) > 2) { */
+
+ clean_string(line);
+
+ /* Get atom name */
+ cur_field = strtok(line,":");
+ sscanf(cur_field, "%s", atoms[*counter].residue_string);
+ cur_field = strtok(NULL," ");
+ /* Compare atom name with that in .car file */
+ if (strcmp(atoms[*counter].name, cur_field)) {
+ fprintf(stderr,"Names %s from .car file and %s from .mdf file do not match\n",
+ atoms[*counter].name, cur_field);
+ fprintf(stderr,"counter = %d\n",*counter);
+ fprintf(stderr,"Program Terminating\n");
+ exit(4);
+ }
+
+ /* Skip unwanted fields until charge column, then update charge */
+
+ for (i=1; i < q_col_no; i++) strtok(NULL," ");
+ cur_field = strtok(NULL, " ");
+ atoms[*counter].q = atof(cur_field);
+
+ /* Continue skipping unwanted fields until connectivity records begin */
+
+ for ( i = (q_col_no + 1); i < connect_col_no; i++) strtok(NULL," ");
+
+ /* Process connections */
+
+ connect_no = 0; /* reset connections counter */
+ while ((cur_field = strtok(NULL," ")) && (connect_no < MAX_CONNECTIONS)) {
+ sscanf(cur_field, "%s", atoms[*counter].connections[connect_no++]);
+ }
+ atoms[*counter].no_connect = connect_no;
+ MakeConnectFullForm(counter);
+ (*counter)++;
+
+ } /* End atom processing loop */
+
+ return r_val;
+
+} /* End get_molecule function */
+
+
+
+ /*------------------------MakeConnectFullForm Function--------------------*/
+
+void MakeConnectFullForm(int *counter) {
+
+ /* This function processes the connection names after all connections
+ for an atom have been read in.
+ It replaces any short forms that use implied default values
+ with the full form connectivity record */
+
+ int i; /* Counter for character array */
+ int j; /* loop counter */
+ char tempname[MAX_STRING]; /* name of connection */
+ char tempcell[10]; /* Values from connectivity record */
+ char tempsym[5]; /* " " */
+ char tempbo[6]; /* " " */
+ char *charptr;
+
+ for ( j = 0; j < atoms[*counter].no_connect; j++) {
+ /* If not full name, make name full */
+ if (strchr(atoms[*counter].connections[j],':') == NULL) {
+ strcpy(tempname,atoms[*counter].residue_string);
+ strcat(tempname,":");
+ strcat(tempname,
+ atoms[*counter].connections[j]);
+ sscanf(tempname, "%s",
+ atoms[*counter].connections[j]);
+ }
+ else
+ sscanf(atoms[*counter].connections[j], "%s", tempname);
+ /* Set cell variables */
+
+ i=0;
+ charptr = (strchr(tempname,'%'));
+ if (charptr != NULL) {
+ while ( *charptr!='#' && *charptr!='/' && *charptr!='\000')
+ tempcell[i++] = *(charptr++);
+ tempcell[i] = '\000';
+ }
+ else
+ strcpy(tempcell, "%000");
+
+ /* Set symmetry variables
+ -- If not 1, cannot handle at this time */
+
+ i = 0;
+ charptr = (strchr(tempname,'#'));
+ if (charptr != NULL) {
+ while (*charptr != '/' && *charptr !='\000') {
+ tempsym[i++] = *(charptr++);
+ if ((i==2) && (tempsym[1] != '1')) {
+ fprintf(stderr,"Msi2LMP is not equipped to handle symmetry operations\n");
+ exit(5);
+ }
+ }
+ tempsym[i] = '\000';
+ }
+ else
+ strcpy(tempsym, "#1");
+
+ /* Set bond order and record in data structure */
+
+ i = 0;
+ charptr = strchr(tempname,'/');
+ if (charptr != NULL) {
+ charptr++;
+ while (*charptr != '\000')
+ tempbo[i++] = *(charptr++);
+ tempbo[i] = '\000';
+ }
+ else
+ strcpy(tempbo, "1.0");
+
+ atoms[*counter].bond_order[j] = atof(tempbo);
+
+/* Build connection name and store in atoms data structure */
+
+ strtok( tempname, "%#/");
+ strcat( tempname, tempcell);
+ strcat( tempname, tempsym);
+ strcat( tempname, "/");
+ strcat( tempname, tempbo);
+ if (strlen(tempname) > 25) fprintf(stderr,"tempname overrun %s\n",tempname);
+ sscanf( tempname, "%s", atoms[*counter].connections[j]);
+ }/*End for loop*/
+}/* End function MakeNameLong
+*/
+
+void clean_string(char *string) {
+ int i,n;
+ short k;
+
+ n = strlen(string);
+ for (i=0; i < n; i++) {
+ k = (short)string[i];
+ if ((k<32) | (k>127)) string[i] = '\0';
+ }
+}
+
+
diff --git a/tools/msi2lmp/src/SearchAndFill.c b/tools/msi2lmp/src/SearchAndFill.c
new file mode 100644
index 0000000000..086d50b54d
--- /dev/null
+++ b/tools/msi2lmp/src/SearchAndFill.c
@@ -0,0 +1,218 @@
+/****************************
+*
+* This function first allocates memory to the forcefield item
+* structures and then reads parameters from the forcefield file into the
+* allocated memory
+*
+*/
+
+#include "Forcefield.h"
+#include "Msi2LMP2.h"
+
+unsigned char string_match(char *,char *);
+
+void SearchAndFill(struct FrcFieldItem *item)
+{
+ int i,j; /* counters */
+ int got_it = 0;
+ int ctr = 0;
+ long file_pos;
+ char line[MAX_LINE] = "empty";
+ char *charptr,*status;
+ extern FILE *FrcF;
+
+
+ /***********************ALLOCATE MEMORY FOR STRUCTURE ********************/
+
+ /* Read and discard lines until keyword is found */
+
+ rewind(FrcF);
+ while ((got_it == 0)) {
+ status = fgets( line, MAX_LINE, FrcF );
+ if (status == NULL) {
+ fprintf(stderr," Unable to find forcefield keyword %s\n",item->keyword);
+ fprintf(stderr," Check consistency of forcefield name and class \n");
+ fprintf(stderr," Exiting....\n");
+ exit(1);
+ }
+ if (line[0] == '#') {
+ if (string_match(strtok(line," '\t'("),item->keyword)) got_it = 1;
+ }
+ /* if (strncmp(line, item->keyword,strlen(item->keyword))==0) got_it = 1; */
+ }
+
+ file_pos = ftell(FrcF);
+
+ /* Count the number of lines until next item is found */
+
+ while( strncmp(fgets(line,MAX_LINE,FrcF), "#", 1) != 0 )
+ ctr++;
+
+ /* Allocate the memory using calloc */
+
+ item->data = calloc(ctr, sizeof(struct FrcFieldData));
+
+ if (item->data == NULL) {
+ fprintf(stderr,"Could not allocate memory to %s\n", item->keyword);
+ exit(2);
+ }
+
+ /********************FILL PARAMETERS AND EQUIVALENCES ********************/
+
+ /* Read lines until keyword is found */
+
+ fseek(FrcF,file_pos,SEEK_SET);
+ strcpy(line,"empty");
+
+ /* Read lines until data starts (when !--- is found) */
+
+ ctr = 0;
+ while ( strncmp(line,"!---", 4) != 0 ) {
+ fgets(line, MAX_LINE, FrcF);
+ }
+
+ /* Get first line of data that isn't commented out */
+
+ fgets(line, MAX_LINE, FrcF);
+ while (strncmp(line,"!",1) == 0) {
+ fgets( line, MAX_LINE, FrcF);
+ }
+
+ /* Read data into structure */
+
+ while( strncmp( line, "#", 1 ) != 0 ) {
+
+ float version;
+ int reference,replace;
+ char atom_types[5][5];
+ double parameters[8];
+
+ /* version number and reference number */
+
+ version = atof(strtok(line, " "));
+ reference = atoi(strtok(NULL, " "));
+
+ /* equivalences */
+
+ for(i = 0; i < item->number_of_members; i++ ) {
+ sscanf(strtok(NULL, " "), "%s", atom_types[i]);
+ }
+
+ /* parameters -- Because of symmetrical terms, bonang, angtor, and
+ endbontor have to be treated carefully */
+
+ for( i = 0; i < item->number_of_parameters; i++ ) {
+ charptr = strtok(NULL, " ");
+ if(charptr == NULL) {
+ for ( j = i; j < item->number_of_parameters; j++ )
+ parameters[j] = parameters[j-i];
+ break;
+ }
+ else {
+ parameters[i] = atof(charptr);
+ }
+ }
+ /* Search for matching sets of atom types.
+ If found and the version number is greater, substitute
+ the current set of parameters in place of the found set.
+ Otherwise, add the current set of parameters to the
+ list.
+ */
+ replace = ctr;
+ for (j=0; j < ctr; j++) {
+
+ int k=0;
+ int match = 1;
+ while (match && (k < item->number_of_members)) {
+ if (strncmp(item->data[j].ff_types[k],atom_types[k],5) == 0)
+ k++;
+ else
+ match = 0;
+ }
+ if (match == 1) {
+ replace = j;
+ break;
+ }
+ }
+ if (replace != ctr) {
+ if (version > item->data[replace].ver) {
+
+ if (pflag > 1) {
+ fprintf(stderr," Using higher version of parameters for");
+ fprintf(stderr," %s ",item->keyword);
+ for (i=0; i < item->number_of_members; i++)
+ fprintf(stderr,"%s ",atom_types[i]);
+ fprintf(stderr," version %3.2f\n",version);
+ }
+
+ item->data[replace].ver = version;
+ item->data[replace].ref = reference;
+ for (i=0; i < item->number_of_members; i++) {
+ strncpy(item->data[replace].ff_types[i],atom_types[i],5);
+ }
+ for (i=0; i < item->number_of_parameters; i++) {
+ item->data[replace].ff_param[i] = parameters[i];
+ }
+ }
+ else {
+ if (pflag > 1) {
+ fprintf(stderr," Using higher version of parameters for");
+ fprintf(stderr," %s ",item->keyword);
+ for (i=0; i < item->number_of_members; i++)
+ fprintf(stderr,"%s ",item->data[replace].ff_types[i]);
+ fprintf(stderr," version %3.2f\n",item->data[replace].ver);
+ }
+ }
+ }
+ else {
+ item->data[ctr].ver = version;
+ item->data[ctr].ref = reference;
+ for (i=0; i < item->number_of_members; i++) {
+ strncpy(item->data[ctr].ff_types[i],atom_types[i],5);
+ }
+ for (i=0; i < item->number_of_parameters; i++) {
+ item->data[ctr].ff_param[i] = parameters[i];
+ }
+ ctr++;
+ }
+ fgets( line, MAX_LINE, FrcF);
+ /*if blank line encountered, get next */
+ while((blank_line(line)) ||
+ (strncmp(line,"!",1) == 0)) {
+ fgets( line, MAX_LINE, FrcF);
+ }
+ }
+ item->entries = ctr;
+
+ /*Debugging
+ fprintf(stderr,"\n%s\n", item->keyword);
+ for(i=0;i<ctr;i++) {
+ for(j=0;j<item->number_of_members;j++)
+ fprintf(stderr,"%3s ", item->data[i].ff_equiv[j]);
+ fprintf(stderr," ");
+ for(j=0;j<item->number_of_parameters;j++)
+ fprintf(stderr,"%10.5f ",item->data[i].ff_param[j]);
+ fprintf(stderr,"\n");
+ }
+ */
+}
+
+unsigned char string_match(char *string1,char *string2)
+{
+ int len1,len2;
+
+ len1 = strlen(string1);
+ len2 = strlen(string2);
+
+ if (len1 != len2) {
+ return 0;
+ }
+ else {
+ if (strncmp(string1,string2,len1) == 0) {
+ return 1;
+ }
+ else {
+ return 0;
+ }
+ }
+}
diff --git a/tools/msi2lmp/src/WriteDataFile.c b/tools/msi2lmp/src/WriteDataFile.c
new file mode 100644
index 0000000000..d117ca317d
--- /dev/null
+++ b/tools/msi2lmp/src/WriteDataFile.c
@@ -0,0 +1,313 @@
+/*
+* This function creates and writes the data file to be used with LAMMPS
+*/
+
+#include "Msi2LMP2.h"
+#include "Forcefield.h"
+
+void WriteDataFile(FILE *DatF,char *nameroot,int forcefield)
+{
+ int i,j,k,m;
+ char line[MAX_LINE_LENGTH];
+
+ if (forcefield == 1) total_no_angle_angles = 0;
+
+ fprintf(DatF, "LAMMPS data file for %s\n\n", nameroot);
+ fprintf(DatF, " %6d atoms\n", total_no_atoms);
+ fprintf(DatF, " %6d bonds\n", total_no_bonds);
+ fprintf(DatF, " %6d angles\n",total_no_angles);
+ fprintf(DatF, " %6d dihedrals\n", total_no_dihedrals);
+ fprintf(DatF, " %6d impropers\n", total_no_oops+total_no_angle_angles);
+ fprintf(DatF, "\n");
+
+
+ fprintf(DatF, " %3d atom types\n", no_atom_types);
+ if (no_bond_types > 0)
+ fprintf(DatF, " %3d bond types\n", no_bond_types);
+ if (no_angle_types> 0)
+ fprintf(DatF, " %3d angle types\n", no_angle_types);
+ if (no_dihedral_types > 0) fprintf (DatF," %3d dihedral types\n",
+ no_dihedral_types);
+ if (forcefield > 1) {
+ if ((no_oop_types + no_angleangle_types) > 0)
+ fprintf (DatF, " %3d improper types\n",
+ no_oop_types + no_angleangle_types);
+ }
+ else {
+ if (no_oop_types > 0)
+ fprintf (DatF, " %3d improper types\n", no_oop_types);
+ }
+
+ fprintf(DatF, "\n");
+ fprintf(DatF, " %15.9f %15.9f xlo xhi\n", pbc[0], pbc[3]);
+ fprintf(DatF, " %15.9f %15.9f ylo yhi\n", pbc[1], pbc[4]);
+ fprintf(DatF, " %15.9f %15.9f zlo zhi\n", pbc[2], pbc[5]);
+
+ /* MASSES */
+
+
+ fprintf(DatF, "\nMasses\n\n");
+ for(k=0; k < no_atom_types; k++)
+ fprintf(DatF, " %3d %10.6f\n",k+1,atomtypes[k].mass);
+ fprintf(DatF, "\n");
+
+
+ /* COEFFICIENTS */
+
+ fprintf(DatF,"Nonbond Coeffs\n\n");
+ for (i=0; i < no_atom_types; i++) {
+ fprintf(DatF, " %3i ", i+1);
+ for ( j = 0; j < 2; j++)
+ fprintf(DatF, "%14.10f ", atomtypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ if (no_bond_types > 0) {
+ if (forcefield == 1) m = 2;
+ if (forcefield == 2) m = 4;
+
+ fprintf(DatF,"Bond Coeffs\n\n");
+ for (i=0; i < no_bond_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < m; j++)
+ fprintf(DatF, "%10.4f ", bondtypes[i].params[j]);
+ fprintf(DatF,"\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if (no_angle_types > 0) {
+
+ if (forcefield == 1) m = 2;
+ if (forcefield == 2) m = 4;
+
+ fprintf(DatF,"Angle Coeffs\n\n");
+ for (i=0; i < no_angle_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < m; j++)
+
+ fprintf(DatF, "%10.4f ", angletypes[i].params[j]);
+ fprintf(DatF,"\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if (no_dihedral_types > 0) {
+ if (forcefield == 1) m = 3;
+ if (forcefield == 2) m = 6;
+
+ fprintf(DatF,"Dihedral Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < m; j++)
+ fprintf(DatF, "%10.4f ", dihedraltypes[i].params[j]);
+ fprintf(DatF,"\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ if (forcefield == 1) {
+ if (no_oop_types > 0) {
+ fprintf(DatF,"Improper Coeffs\n\n");
+ for (i=0; i < no_oop_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF, "%10.4f ", ooptypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ }
+ else if (forcefield == 2) {
+ if ((no_oop_types + no_angleangle_types) > 0) {
+ fprintf(DatF,"Improper Coeffs\n\n");
+ for (i=0; i < no_oop_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 2; j++)
+ fprintf(DatF, "%10.4f ", ooptypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ for (i=0; i < no_angleangle_types; i++) {
+ fprintf(DatF, "%3i ", i+no_oop_types+1);
+ for ( j = 0; j < 2; j++)
+ fprintf(DatF, "%10.4f ", 0.0);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ }
+ if (forcefield == 2) {
+
+ if (no_angle_types > 0) {
+ fprintf(DatF,"BondBond Coeffs\n\n");
+ for (i=0; i < no_angle_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF, "%10.4f ", angletypes[i].bondbond_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"BondAngle Coeffs\n\n");
+
+ for (i=0; i < no_angle_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 4; j++)
+ fprintf(DatF, "%10.4f ",angletypes[i].bondangle_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if ((no_oop_types+no_angleangle_types) > 0) {
+ fprintf(DatF,"AngleAngle Coeffs\n\n");
+ for (i=0; i < no_oop_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 6; j++)
+ fprintf(DatF, "%10.4f ", ooptypes[i].angleangle_params[j]);
+ fprintf(DatF, "\n");
+ }
+ for (i=0; i < no_angleangle_types; i++) {
+ fprintf(DatF, "%3i ", i+no_oop_types+1);
+ for ( j = 0; j < 6; j++)
+ fprintf(DatF, "%10.4f ", angleangletypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if (no_dihedral_types > 0) {
+ fprintf(DatF,"AngleAngleTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF,"%10.4f ",
+ dihedraltypes[i].angleangledihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"EndBondTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%i ", i+1);
+ for ( j = 0; j < 8; j++)
+ fprintf(DatF, "%10.4f ",
+ dihedraltypes[i].endbonddihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"MiddleBondTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 4; j++)
+ fprintf(DatF,"%10.4f ",
+ dihedraltypes[i].midbonddihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+
+ fprintf(DatF,"BondBond13 Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF, "%10.4f ",
+ dihedraltypes[i].bond13_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"AngleTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 8; j++)
+ fprintf(DatF, "%10.4f ",
+ dihedraltypes[i].angledihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ }
+
+ /*--------------------------------------------------------------------*/
+
+ /* ATOMS */
+
+ fprintf(DatF, "Atoms\n\n");
+ for(k=0; k < total_no_atoms; k++) {
+ fprintf(DatF, " %6i %6i %3i %9.6f %15.9f %15.9f %15.9f\n",
+ k+1,
+ atoms[k].molecule,
+ atoms[k].type+1,
+ atoms[k].q,
+ atoms[k].x[0],
+ atoms[k].x[1],
+ atoms[k].x[2]);
+ }
+ fprintf(DatF, "\n");
+
+ /***** BONDS *****/
+
+ if (total_no_bonds > 0) {
+ fprintf(DatF, "Bonds\n\n");
+ for(k=0; k < total_no_bonds; k++)
+ fprintf(DatF, "%6i %3i %6i %6i\n",k+1,
+ bonds[k].type+1,
+ bonds[k].members[0]+1,
+ bonds[k].members[1]+1);
+ fprintf(DatF,"\n");
+ }
+
+ /***** ANGLES *****/
+
+ if (total_no_angles > 0) {
+ fprintf(DatF, "Angles\n\n");
+ for(k=0; k < total_no_angles; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i\n",k+1,
+ angles[k].type+1,
+ angles[k].members[0]+1,
+ angles[k].members[1]+1,
+ angles[k].members[2]+1);
+ fprintf(DatF, "\n");
+ }
+
+
+ /***** TORSIONS *****/
+
+ if (total_no_dihedrals > 0) {
+ fprintf(DatF,"Dihedrals\n\n");
+ for(k=0; k < total_no_dihedrals; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i %6i\n",k+1,
+ dihedrals[k].type+1,
+ dihedrals[k].members[0]+1,
+ dihedrals[k].members[1]+1,
+ dihedrals[k].members[2]+1,
+ dihedrals[k].members[3]+1);
+ fprintf(DatF, "\n");
+ }
+
+ /***** OUT-OF-PLANES *****/
+
+ if (total_no_oops+total_no_angle_angles > 0) {
+ fprintf(DatF,"Impropers\n\n");
+ for (k=0; k < total_no_oops; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i %6i \n", k+1,
+ oops[k].type+1,
+ oops[k].members[0]+1,
+ oops[k].members[1]+1,
+ oops[k].members[2]+1,
+ oops[k].members[3]+1);
+ if (forcefield == 2) {
+ for (k=0; k < total_no_angle_angles; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i %6i \n",k+total_no_oops+1,
+ angleangles[k].type+no_oop_types+1,
+ angleangles[k].members[0]+1,
+ angleangles[k].members[1]+1,
+ angleangles[k].members[2]+1,
+ angleangles[k].members[3]+1);
+ }
+ fprintf(DatF, "\n");
+ }
+
+}
diff --git a/tools/msi2lmp/src/WriteDataFile01.c b/tools/msi2lmp/src/WriteDataFile01.c
new file mode 100644
index 0000000000..ee2d5b2d6e
--- /dev/null
+++ b/tools/msi2lmp/src/WriteDataFile01.c
@@ -0,0 +1,332 @@
+/*
+* This function creates and writes the data file to be used with LAMMPS
+*/
+
+#include "Msi2LMP2.h"
+#include "Forcefield.h"
+
+void WriteDataFile01(char *nameroot,int forcefield)
+{
+ int i,j,k,m;
+ char line[MAX_LINE_LENGTH];
+ FILE *DatF;
+
+/* Open data file */
+
+ sprintf(line,"%s.lammps01",rootname);
+ if (pflag > 0) fprintf(stderr," Writing LAMMPS 2001 data file: %s\n",line);
+ if( (DatF = fopen(line,"w")) == NULL ) {
+ fprintf(stderr,"Cannot open %s\n",line);
+ exit(2);
+ }
+
+
+
+ if (forcefield == 1) total_no_angle_angles = 0;
+
+ fprintf(DatF, "LAMMPS data file for %s\n\n", nameroot);
+ fprintf(DatF, " %6d atoms\n", total_no_atoms);
+ fprintf(DatF, " %6d bonds\n", total_no_bonds);
+ fprintf(DatF, " %6d angles\n",total_no_angles);
+ fprintf(DatF, " %6d dihedrals\n", total_no_dihedrals);
+ fprintf(DatF, " %6d impropers\n", total_no_oops+total_no_angle_angles);
+ fprintf(DatF, "\n");
+
+
+ fprintf(DatF, " %3d atom types\n", no_atom_types);
+ if (no_bond_types > 0)
+ fprintf(DatF, " %3d bond types\n", no_bond_types);
+ if (no_angle_types> 0)
+ fprintf(DatF, " %3d angle types\n", no_angle_types);
+ if (no_dihedral_types > 0) fprintf (DatF," %3d dihedral types\n",
+ no_dihedral_types);
+ if (forcefield > 1) {
+ if ((no_oop_types + no_angleangle_types) > 0)
+ fprintf (DatF, " %3d improper types\n",
+ no_oop_types + no_angleangle_types);
+ }
+ else {
+ if (no_oop_types > 0)
+ fprintf (DatF, " %3d improper types\n", no_oop_types);
+ }
+
+ fprintf(DatF, "\n");
+ fprintf(DatF, " %15.9f %15.9f xlo xhi\n", pbc[0], pbc[3]);
+ fprintf(DatF, " %15.9f %15.9f ylo yhi\n", pbc[1], pbc[4]);
+ fprintf(DatF, " %15.9f %15.9f zlo zhi\n", pbc[2], pbc[5]);
+
+ /* MASSES */
+
+
+ fprintf(DatF, "\nMasses\n\n");
+ for(k=0; k < no_atom_types; k++)
+ fprintf(DatF, " %3d %10.6f\n",k+1,atomtypes[k].mass);
+ fprintf(DatF, "\n");
+
+
+ /* COEFFICIENTS */
+
+ fprintf(DatF,"Nonbond Coeffs\n\n");
+ for (i=0; i < no_atom_types; i++) {
+ fprintf(DatF, " %3i ", i+1);
+ for ( j = 0; j < 2; j++)
+ fprintf(DatF, "%14.10f ", atomtypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ if (no_bond_types > 0) {
+ if (forcefield == 1) m = 2;
+ if (forcefield == 2) m = 4;
+
+ fprintf(DatF,"Bond Coeffs\n\n");
+ for (i=0; i < no_bond_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < m; j++)
+ fprintf(DatF, "%10.4f ", bondtypes[i].params[j]);
+ fprintf(DatF,"\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if (no_angle_types > 0) {
+
+ if (forcefield == 1) m = 2;
+ if (forcefield == 2) m = 4;
+
+ fprintf(DatF,"Angle Coeffs\n\n");
+ for (i=0; i < no_angle_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < m; j++)
+
+ fprintf(DatF, "%10.4f ", angletypes[i].params[j]);
+ fprintf(DatF,"\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if (no_dihedral_types > 0) {
+ if (forcefield == 1) m = 3;
+ if (forcefield == 2) m = 6;
+
+ fprintf(DatF,"Dihedral Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < m; j++)
+ fprintf(DatF, "%10.4f ", dihedraltypes[i].params[j]);
+ fprintf(DatF,"\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ if (forcefield == 1) {
+ if (no_oop_types > 0) {
+ fprintf(DatF,"Improper Coeffs\n\n");
+ for (i=0; i < no_oop_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF, "%10.4f ", ooptypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ }
+ else if (forcefield == 2) {
+ if ((no_oop_types + no_angleangle_types) > 0) {
+ fprintf(DatF,"Improper Coeffs\n\n");
+ for (i=0; i < no_oop_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 2; j++)
+ fprintf(DatF, "%10.4f ", ooptypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ for (i=0; i < no_angleangle_types; i++) {
+ fprintf(DatF, "%3i ", i+no_oop_types+1);
+ for ( j = 0; j < 2; j++)
+ fprintf(DatF, "%10.4f ", 0.0);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ }
+ if (forcefield == 2) {
+
+ if (no_angle_types > 0) {
+ fprintf(DatF,"BondBond Coeffs\n\n");
+ for (i=0; i < no_angle_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF, "%10.4f ", angletypes[i].bondbond_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"BondAngle Coeffs\n\n");
+
+ for (i=0; i < no_angle_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 4; j++)
+ fprintf(DatF, "%10.4f ",angletypes[i].bondangle_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if ((no_oop_types+no_angleangle_types) > 0) {
+ fprintf(DatF,"AngleAngle Coeffs\n\n");
+ for (i=0; i < no_oop_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 6; j++)
+ fprintf(DatF, "%10.4f ", ooptypes[i].angleangle_params[j]);
+ fprintf(DatF, "\n");
+ }
+ for (i=0; i < no_angleangle_types; i++) {
+ fprintf(DatF, "%3i ", i+no_oop_types+1);
+ for ( j = 0; j < 6; j++)
+ fprintf(DatF, "%10.4f ", angleangletypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if (no_dihedral_types > 0) {
+ fprintf(DatF,"AngleAngleTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF,"%10.4f ",
+ dihedraltypes[i].angleangledihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"EndBondTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%i ", i+1);
+ for ( j = 0; j < 8; j++)
+ fprintf(DatF, "%10.4f ",
+ dihedraltypes[i].endbonddihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"MiddleBondTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 4; j++)
+ fprintf(DatF,"%10.4f ",
+ dihedraltypes[i].midbonddihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+
+ fprintf(DatF,"BondBond13 Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF, "%10.4f ",
+ dihedraltypes[i].bond13_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"AngleTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 8; j++)
+ fprintf(DatF, "%10.4f ",
+ dihedraltypes[i].angledihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ }
+
+ /*--------------------------------------------------------------------*/
+
+ /* ATOMS */
+
+ fprintf(DatF, "Atoms\n\n");
+ for(k=0; k < total_no_atoms; k++) {
+ fprintf(DatF, " %6i %6i %3i %9.6f %15.9f %15.9f %15.9f\n",
+ k+1,
+ atoms[k].molecule,
+ atoms[k].type+1,
+ atoms[k].q,
+ atoms[k].x[0],
+ atoms[k].x[1],
+ atoms[k].x[2]);
+ }
+ fprintf(DatF, "\n");
+
+ /***** BONDS *****/
+
+ if (total_no_bonds > 0) {
+ fprintf(DatF, "Bonds\n\n");
+ for(k=0; k < total_no_bonds; k++)
+ fprintf(DatF, "%6i %3i %6i %6i\n",k+1,
+ bonds[k].type+1,
+ bonds[k].members[0]+1,
+ bonds[k].members[1]+1);
+ fprintf(DatF,"\n");
+ }
+
+ /***** ANGLES *****/
+
+ if (total_no_angles > 0) {
+ fprintf(DatF, "Angles\n\n");
+ for(k=0; k < total_no_angles; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i\n",k+1,
+ angles[k].type+1,
+ angles[k].members[0]+1,
+ angles[k].members[1]+1,
+ angles[k].members[2]+1);
+ fprintf(DatF, "\n");
+ }
+
+
+ /***** TORSIONS *****/
+
+ if (total_no_dihedrals > 0) {
+ fprintf(DatF,"Dihedrals\n\n");
+ for(k=0; k < total_no_dihedrals; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i %6i\n",k+1,
+ dihedrals[k].type+1,
+ dihedrals[k].members[0]+1,
+ dihedrals[k].members[1]+1,
+ dihedrals[k].members[2]+1,
+ dihedrals[k].members[3]+1);
+ fprintf(DatF, "\n");
+ }
+
+ /***** OUT-OF-PLANES *****/
+
+ if (total_no_oops+total_no_angle_angles > 0) {
+ fprintf(DatF,"Impropers\n\n");
+ for (k=0; k < total_no_oops; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i %6i \n", k+1,
+ oops[k].type+1,
+ oops[k].members[0]+1,
+ oops[k].members[1]+1,
+ oops[k].members[2]+1,
+ oops[k].members[3]+1);
+ if (forcefield == 2) {
+ for (k=0; k < total_no_angle_angles; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i %6i \n",k+total_no_oops+1,
+ angleangles[k].type+no_oop_types+1,
+ angleangles[k].members[0]+1,
+ angleangles[k].members[1]+1,
+ angleangles[k].members[2]+1,
+ angleangles[k].members[3]+1);
+ }
+ fprintf(DatF, "\n");
+ }
+
+/* Close data file */
+
+ if (fclose(DatF) !=0) {
+ fprintf(stderr,"Error closing %s.lammps01\n", rootname);
+ exit(1);
+ }
+
+}
diff --git a/tools/msi2lmp/src/WriteDataFile05.c b/tools/msi2lmp/src/WriteDataFile05.c
new file mode 100644
index 0000000000..c668a32cc8
--- /dev/null
+++ b/tools/msi2lmp/src/WriteDataFile05.c
@@ -0,0 +1,333 @@
+/*
+* This function creates and writes the data file to be used with LAMMPS
+*/
+
+#include "Msi2LMP2.h"
+#include "Forcefield.h"
+
+void WriteDataFile05(char *nameroot,int forcefield)
+{
+ int i,j,k,m;
+ char line[MAX_LINE_LENGTH];
+ FILE *DatF;
+
+/* Open data file */
+
+ sprintf(line,"%s.lammps05",rootname);
+ if (pflag > 0) fprintf(stderr," Writing LAMMPS 2005 data file: %s\n",line);
+ if( (DatF = fopen(line,"w")) == NULL ) {
+ fprintf(stderr,"Cannot open %s\n",line);
+ exit(2);
+ }
+
+
+
+ if (forcefield == 1) total_no_angle_angles = 0;
+
+ fprintf(DatF, "LAMMPS 2005 data file for %s\n\n", nameroot);
+ fprintf(DatF, " %6d atoms\n", total_no_atoms);
+ fprintf(DatF, " %6d bonds\n", total_no_bonds);
+ fprintf(DatF, " %6d angles\n",total_no_angles);
+ fprintf(DatF, " %6d dihedrals\n", total_no_dihedrals);
+ fprintf(DatF, " %6d impropers\n", total_no_oops+total_no_angle_angles);
+ fprintf(DatF, "\n");
+
+
+ fprintf(DatF, " %3d atom types\n", no_atom_types);
+ if (no_bond_types > 0)
+ fprintf(DatF, " %3d bond types\n", no_bond_types);
+ if (no_angle_types> 0)
+ fprintf(DatF, " %3d angle types\n", no_angle_types);
+ if (no_dihedral_types > 0) fprintf (DatF," %3d dihedral types\n",
+ no_dihedral_types);
+ if (forcefield > 1) {
+ if ((no_oop_types + no_angleangle_types) > 0)
+ fprintf (DatF, " %3d improper types\n",
+ no_oop_types + no_angleangle_types);
+ }
+ else {
+ if (no_oop_types > 0)
+ fprintf (DatF, " %3d improper types\n", no_oop_types);
+ }
+
+ fprintf(DatF, "\n");
+ fprintf(DatF, " %15.9f %15.9f xlo xhi\n", pbc[0], pbc[3]);
+ fprintf(DatF, " %15.9f %15.9f ylo yhi\n", pbc[1], pbc[4]);
+ fprintf(DatF, " %15.9f %15.9f zlo zhi\n", pbc[2], pbc[5]);
+
+ /* MASSES */
+
+
+ fprintf(DatF, "\nMasses\n\n");
+ for(k=0; k < no_atom_types; k++)
+ fprintf(DatF, " %3d %10.6f\n",k+1,atomtypes[k].mass);
+ fprintf(DatF, "\n");
+
+
+ /* COEFFICIENTS */
+
+ fprintf(DatF,"Pair Coeffs\n\n");
+ for (i=0; i < no_atom_types; i++) {
+ fprintf(DatF, " %3i ", i+1);
+ for ( j = 0; j < 2; j++)
+ fprintf(DatF, "%14.10f ", atomtypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ if (no_bond_types > 0) {
+ if (forcefield == 1) m = 2;
+ if (forcefield == 2) m = 4;
+
+ fprintf(DatF,"Bond Coeffs\n\n");
+ for (i=0; i < no_bond_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < m; j++)
+ fprintf(DatF, "%10.4f ", bondtypes[i].params[j]);
+ fprintf(DatF,"\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if (no_angle_types > 0) {
+
+ if (forcefield == 1) m = 2;
+ if (forcefield == 2) m = 4;
+
+ fprintf(DatF,"Angle Coeffs\n\n");
+ for (i=0; i < no_angle_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < m; j++)
+
+ fprintf(DatF, "%10.4f ", angletypes[i].params[j]);
+ fprintf(DatF,"\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if (no_dihedral_types > 0) {
+ if (forcefield == 1) m = 3;
+ if (forcefield == 2) m = 6;
+
+ fprintf(DatF,"Dihedral Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < m; j++)
+ fprintf(DatF, "%10.4f ", dihedraltypes[i].params[j]);
+ fprintf(DatF,"\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ if (forcefield == 1) {
+ if (no_oop_types > 0) {
+ fprintf(DatF,"Improper Coeffs\n\n");
+ for (i=0; i < no_oop_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF, "%10.4f ", ooptypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ }
+ else if (forcefield == 2) {
+ if ((no_oop_types + no_angleangle_types) > 0) {
+ fprintf(DatF,"Improper Coeffs\n\n");
+ for (i=0; i < no_oop_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 2; j++)
+ fprintf(DatF, "%10.4f ", ooptypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ for (i=0; i < no_angleangle_types; i++) {
+ fprintf(DatF, "%3i ", i+no_oop_types+1);
+ for ( j = 0; j < 2; j++)
+ fprintf(DatF, "%10.4f ", 0.0);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ }
+ if (forcefield == 2) {
+
+ if (no_angle_types > 0) {
+ fprintf(DatF,"BondBond Coeffs\n\n");
+ for (i=0; i < no_angle_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF, "%10.4f ", angletypes[i].bondbond_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"BondAngle Coeffs\n\n");
+
+ for (i=0; i < no_angle_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 4; j++)
+ fprintf(DatF, "%10.4f ",angletypes[i].bondangle_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if ((no_oop_types+no_angleangle_types) > 0) {
+ fprintf(DatF,"AngleAngle Coeffs\n\n");
+ for (i=0; i < no_oop_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 6; j++)
+ fprintf(DatF, "%10.4f ", ooptypes[i].angleangle_params[j]);
+ fprintf(DatF, "\n");
+ }
+ for (i=0; i < no_angleangle_types; i++) {
+ fprintf(DatF, "%3i ", i+no_oop_types+1);
+ for ( j = 0; j < 6; j++)
+ fprintf(DatF, "%10.4f ", angleangletypes[i].params[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+
+ if (no_dihedral_types > 0) {
+ fprintf(DatF,"AngleAngleTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF,"%10.4f ",
+ dihedraltypes[i].angleangledihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"EndBondTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%i ", i+1);
+ for ( j = 0; j < 8; j++)
+ fprintf(DatF, "%10.4f ",
+ dihedraltypes[i].endbonddihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"MiddleBondTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 4; j++)
+ fprintf(DatF,"%10.4f ",
+ dihedraltypes[i].midbonddihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+
+ fprintf(DatF,"BondBond13 Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 3; j++)
+ fprintf(DatF, "%10.4f ",
+ dihedraltypes[i].bond13_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+
+ fprintf(DatF,"AngleTorsion Coeffs\n\n");
+ for (i=0; i < no_dihedral_types; i++) {
+ fprintf(DatF, "%3i ", i+1);
+ for ( j = 0; j < 8; j++)
+ fprintf(DatF, "%10.4f ",
+ dihedraltypes[i].angledihedral_cross_term[j]);
+ fprintf(DatF, "\n");
+ }
+ fprintf(DatF, "\n");
+ }
+ }
+
+ /*--------------------------------------------------------------------*/
+
+ /* ATOMS */
+
+ fprintf(DatF, "Atoms\n\n");
+ for(k=0; k < total_no_atoms; k++) {
+ fprintf(DatF, " %6i %6i %3i %9.6f %15.9f %15.9f %15.9f\n",
+ k+1,
+ atoms[k].molecule,
+ atoms[k].type+1,
+ atoms[k].q,
+ atoms[k].x[0],
+ atoms[k].x[1],
+ atoms[k].x[2]);
+ }
+ fprintf(DatF, "\n");
+
+ /***** BONDS *****/
+
+ if (total_no_bonds > 0) {
+ fprintf(DatF, "Bonds\n\n");
+ for(k=0; k < total_no_bonds; k++)
+ fprintf(DatF, "%6i %3i %6i %6i\n",k+1,
+ bonds[k].type+1,
+ bonds[k].members[0]+1,
+ bonds[k].members[1]+1);
+ fprintf(DatF,"\n");
+ }
+
+ /***** ANGLES *****/
+
+ if (total_no_angles > 0) {
+ fprintf(DatF, "Angles\n\n");
+ for(k=0; k < total_no_angles; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i\n",k+1,
+ angles[k].type+1,
+ angles[k].members[0]+1,
+ angles[k].members[1]+1,
+ angles[k].members[2]+1);
+ fprintf(DatF, "\n");
+ }
+
+
+ /***** TORSIONS *****/
+
+ if (total_no_dihedrals > 0) {
+ fprintf(DatF,"Dihedrals\n\n");
+ for(k=0; k < total_no_dihedrals; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i %6i\n",k+1,
+ dihedrals[k].type+1,
+ dihedrals[k].members[0]+1,
+ dihedrals[k].members[1]+1,
+ dihedrals[k].members[2]+1,
+ dihedrals[k].members[3]+1);
+ fprintf(DatF, "\n");
+ }
+
+ /***** OUT-OF-PLANES *****/
+
+ if (total_no_oops+total_no_angle_angles > 0) {
+ fprintf(DatF,"Impropers\n\n");
+ for (k=0; k < total_no_oops; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i %6i \n", k+1,
+ oops[k].type+1,
+ oops[k].members[0]+1,
+ oops[k].members[1]+1,
+ oops[k].members[2]+1,
+ oops[k].members[3]+1);
+ if (forcefield == 2) {
+ for (k=0; k < total_no_angle_angles; k++)
+ fprintf(DatF, "%6i %3i %6i %6i %6i %6i \n",k+total_no_oops+1,
+ angleangles[k].type+no_oop_types+1,
+ angleangles[k].members[0]+1,
+ angleangles[k].members[1]+1,
+ angleangles[k].members[2]+1,
+ angleangles[k].members[3]+1);
+ }
+ fprintf(DatF, "\n");
+ }
+
+/* Close data file */
+
+ if (fclose(DatF) !=0) {
+ fprintf(stderr,"Error closing %s.lammps05\n", rootname);
+ exit(1);
+ }
+
+}
+
diff --git a/tools/msi2lmp/src/msi2lmp.c b/tools/msi2lmp/src/msi2lmp.c
new file mode 100644
index 0000000000..776ea008d1
--- /dev/null
+++ b/tools/msi2lmp/src/msi2lmp.c
@@ -0,0 +1,275 @@
+/*
+*
+* msi2lmp.exe V3.6
+*
+* v3.6 KLA - Changes to output to either lammps 2001 (F90 version) or to
+* lammps 2005 (C++ version)
+*
+* v3.4 JEC - a number of minor changes due to way newline and EOF are generated
+* on Materials Studio generated .car and .mdf files as well as odd
+* behavior out of newer Linux IO libraries. ReadMdfFile was restructured
+* in the process.
+*
+* v3.1 JEC - changed IO interface to standard in/out, forcefield file
+* location can be indicated by environmental variable; added
+* printing options, consistency checks and forcefield
+* parameter versions sensitivity (highest one used)
+*
+* v3.0 JEC - program substantially rewritten to reduce execution time
+* and be 98 % dynamic in memory use (still fixed limits on
+* number of parameter types for different internal coordinate
+* sets)
+*
+* v2.0 MDP - got internal coordinate information from mdf file and
+* forcefield parameters from frc file thus eliminating
+* need for Discover
+*
+* V1.0 SL - original version. Used .car file and internal coordinate
+* information from Discover to produce LAMMPS data file.
+*
+* This program uses the .car and .mdf files from MSI/Biosyms's INSIGHT
+* program to produce a LAMMPS data file.
+*
+* The program is started by supplying information at the command prompt
+* according to the usage described below.
+*
+* USAGE: msi2lmp3 ROOTNAME {-print #} {-class #} {-frc FRC_FILE} -2001
+*
+* -- msi2lmp3 is the name of the executable
+* -- ROOTNAME is the base name of the .car and .mdf files
+*
+* -- -print
+* # is the print level: 0 - silent except for errors
+* 1 - minimal (default)
+* 2 - more verbose
+* -- -class
+* # is the class of forcefield to use (I = Class I e.g., CVFF)
+* (II = Class II e.g., CFFx )
+* default is -class I
+*
+* -- -frc - specifies name of the forcefield file (e.g., cff91)
+*
+* If the name includes a hard wired directory (i.e., if the name
+* starts with . or /), then the name is used alone. Otherwise,
+* the program looks for the forcefield file in $BIOSYM_LIBRARY.
+* If $BIOSYM_LIBRARY is not set, then the current directory is
+* used.
+*
+* If the file name does not include a dot after the first
+* character, then .frc is appended to the name.
+*
+* For example, -frc cvff (assumes cvff.frc is in $BIOSYM_LIBRARY
+* or .)
+*
+* -frc cff/cff91 (assumes cff91.frc is in
+* $BIOSYM_LIBRARY/cff or ./cff)
+*
+* -frc /usr/local/biosym/forcefields/cff95 (absolute
+* location)
+*
+* By default, the program uses $BIOSYM_LIBRARY/cvff.frc
+*
+* -- -2001 will output a data file for the FORTRAN 90 version of LAMMPS (2001)
+* By default, the program will output for the C++ version of LAMMPS.
+*
+* -- output is written to a file called ROOTNAME.lammps{01/05}
+*
+*
+****************************************************************
+*
+* Msi2lmp3
+*
+* This is the third version of a program that generates a LAMMPS
+* data file based on the information in a MSI car file (atom
+* coordinates) and mdf file (molecular topology). A key part of
+* the program looks up forcefield parameters from an MSI frc file.
+*
+* The first version was written by Steve Lustig at Dupont, but
+* required using Discover to derive internal coordinates and
+* forcefield parameters
+*
+* The second version was written by Michael Peachey while an
+* in intern in the Cray Chemistry Applications Group managed
+* by John Carpenter. This version derived internal coordinates
+* from the mdf file and looked up parameters in the frc file
+* thus eliminating the need for Discover.
+*
+* The third version was written by John Carpenter to optimize
+* the performance of the program for large molecular systems
+* (the original code for deriving atom numbers was quadratic in time)
+* and to make the program fully dynamic. The second version used
+* fixed dimension arrays for the internal coordinates.
+*
+* John Carpenter can be contacted by sending email to
+* jec374@earthlink.net
+*
+* November 2000
+*/
+
+#define MAIN
+
+#include "Msi2LMP2.h"
+
+int main (int argc, char *argv[])
+{
+ int n,i,found_dot; /* Counter */
+ int outv;
+ char *string;
+ char *frc_dir_name;
+ char *frc_file_name;
+ FILE *DatF;
+
+ /* Functions called from within main */
+
+/* All code is located in .c file with function name */
+ extern void FrcMenu();
+ extern void ReadCarFile();
+ extern void ReadMdfFile();
+ extern void ReadFrcFile();
+ extern void MakeLists();
+ extern void GetParameters(int);
+ extern void CheckLists();
+ extern void WriteDataFile(FILE *,char *,int);
+
+
+ outv = 2005;
+ pflag = 1;
+ forcefield = 1; /* Variable that identifies forcefield to use */
+
+ frc_file_name = (char *) calloc(160,sizeof(char));
+ frc_dir_name = (char *) calloc(160,sizeof(char));
+
+ frc_dir_name = getenv("BIOSYM_LIBRARY");
+
+ if (frc_dir_name == NULL) {
+ frc_file_name = strcpy(frc_file_name,"./cvff.frc");
+ }
+ else {
+ for (i=0; i < strlen(frc_dir_name); i++)
+ frc_file_name[i] = frc_dir_name[i];
+ frc_file_name = strcat(frc_file_name,"/cvff.frc");
+ }
+
+ if (argc < 2) { /* If no rootname was supplied, prompt for it */
+ fprintf(stderr,"The rootname of the .car and .mdf files must be entered\n");
+ }
+ else /* rootname was supplied as first argument, copy to rootname */
+ sprintf(rootname,"%s",argv[1]);
+
+ n = 2;
+ while (n < argc) {
+ if (strcmp(argv[n],"-class") == 0) {
+ if (strcmp(argv[n+1],"I") == 0) {
+ forcefield = 1;
+ n++;
+ }
+ else if (strcmp(argv[n+1],"II") == 0) {
+ forcefield = 2;
+ n++;
+ }
+ else {
+ fprintf(stderr,"Unrecognized Forcefield class: %s\n",
+ argv[n+1]);
+ n++;
+ }
+ }
+ else if (strcmp(argv[n],"-2001") == 0) {
+ outv = 2001;
+ n++;
+ }
+ else if (strcmp(argv[n],"-frc") == 0) {
+ if ((frc_dir_name != NULL) && (argv[n+1][0] != '.')) {
+ for (i=0; i < strlen(frc_dir_name); i++) {
+ frc_file_name[i] = frc_dir_name[i];
+ }
+ frc_file_name[strlen(frc_dir_name)] = '\0';
+ frc_file_name = strcat(frc_file_name,"/");
+ frc_file_name = strcat(frc_file_name,argv[n+1]);
+ }
+ else {
+ frc_file_name = strcpy(frc_file_name,argv[n+1]);
+ }
+ found_dot = 0;
+ for (i=1; i < strlen(frc_file_name); i++) {
+ if (frc_file_name[i] == '.') found_dot = 1;
+ }
+ if (found_dot == 0)
+ frc_file_name = strcat(frc_file_name,".frc");
+ n++;
+ }
+ else if (strstr(argv[n],"-p") != NULL) {
+ pflag = atoi(argv[n+1]);
+ n++;
+ }
+ else {
+ fprintf(stderr,"Unrecognized option: %s\n",argv[n]);
+ }
+ n++;
+ }
+ for (i=0; i < strlen(frc_file_name); i++)
+ FrcFileName[i] = frc_file_name[i];
+ free(frc_file_name);
+
+ if (pflag > 0) {
+ fprintf(stderr,"\nRunning Msi2lmp.....\n\n");
+ fprintf(stderr," Forcefield file name: %s\n",FrcFileName);
+ fprintf(stderr," Forcefield class: %d\n\n",forcefield);
+ }
+
+ if (((forcefield == 1) && (strstr(FrcFileName,"cff") != NULL) ||
+ (forcefield == 2) && (strstr(FrcFileName,"cvff") != NULL))) {
+ fprintf(stderr," WARNING - forcefield name and class appear to\n");
+ fprintf(stderr," be inconsistent - Errors may result\n\n");
+ }
+
+ /* Read in .car file */
+
+ ReadCarFile();
+
+ /*Read in .mdf file */
+
+ ReadMdfFile();
+
+ /* Define bonds, angles, etc...*/
+
+ if (pflag > 0) fprintf(stderr,"\n Building internal coordinate lists \n");
+ MakeLists();
+
+ /* Read .frc file into memory */
+
+ if (pflag > 0) fprintf(stderr,"\n Reading forcefield file \n");
+ ReadFrcFile();
+
+ /* Get forcefield parameters */
+
+ if (pflag > 0) fprintf(stderr,"\n Get parameters for this molecular system\n");
+ GetParameters(forcefield);
+
+ /* Do internal check of internal coordinate lists */
+
+ if (pflag > 0) fprintf(stderr,"\n Check parameters for internal consistency\n");
+ CheckLists();
+
+ if (outv == 2001) { fprintf(stderr,"\n Writing LAMMPS 2001 data file\n");
+ WriteDataFile01(rootname,forcefield);
+ }
+ else if (outv == 2005) {fprintf(stderr,"\n Writing LAMMPS 2005 data file\n");
+ WriteDataFile05(rootname,forcefield);
+ }
+
+ if (pflag > 0) fprintf(stderr,"\nNormal program termination\n");
+}
+#include <ctype.h>
+int blank_line(char *line)
+{
+ int i,n;
+ for (i=0,n=0; i < strlen(line); i++) {
+ if (isalnum((unsigned char)line[i])) n++;
+ }
+ if (n > 0) {
+ return(0);
+ }
+ else {
+ return(1);
+ }
+}
diff --git a/tools/msi2lmp/test/correct/data.crambin b/tools/msi2lmp/test/correct/data.crambin
new file mode 100644
index 0000000000..7742ba5a58
--- /dev/null
+++ b/tools/msi2lmp/test/correct/data.crambin
@@ -0,0 +1,4727 @@
+LAMMPS data file for crambin
+
+ 642 atoms
+ 652 bonds
+ 1181 angles
+ 1741 dihedrals
+ 123 impropers
+
+ 19 atom types
+ 39 bond types
+ 92 angle types
+ 154 dihedral types
+ 14 improper types
+
+ -4.016462326 24.421899796 xlo xhi
+ -1.433422685 21.766929626 ylo yhi
+ -7.421999931 20.579420090 zlo zhi
+
+Masses
+
+ 1 14.006700
+ 2 1.007970
+ 3 12.011150
+ 4 1.007970
+ 5 12.011150
+ 6 15.999400
+ 7 12.011150
+ 8 15.999400
+ 9 1.007970
+ 10 12.011150
+ 11 14.006700
+ 12 12.011150
+ 13 32.063999
+ 14 12.011150
+ 15 14.006700
+ 16 12.011150
+ 17 12.011150
+ 18 12.011150
+ 19 15.999400
+
+Nonbond Coeffs
+
+ 1 0.1669999743 3.5012320066
+ 2 0.0000000000 0.0000000000
+ 3 0.0389999952 3.8754094636
+ 4 0.0380000011 2.4499714540
+ 5 0.1479999981 3.6170487995
+ 6 0.2280000124 2.8597848722
+ 7 0.0389999952 3.8754094636
+ 8 0.2280000124 2.8597848722
+ 9 0.0000000000 0.0000000000
+ 10 0.0389999952 3.8754094636
+ 11 0.1669999743 3.5012320066
+ 12 0.0389999952 3.8754094636
+ 13 0.0429759086 3.3677544003
+ 14 0.1479999981 3.6170487995
+ 15 0.1669999743 3.5012320066
+ 16 0.1479999981 3.6170487995
+ 17 0.0389999952 3.8754094636
+ 18 0.1479999981 3.6170487995
+ 19 0.2280000124 2.8597848722
+
+Bond Coeffs
+
+ 1 356.5988 1.4700
+ 2 457.4592 1.0260
+ 3 283.0924 1.5200
+ 4 322.7158 1.5260
+ 5 340.6175 1.1050
+ 6 615.3220 1.2300
+ 7 388.0000 1.3200
+ 8 322.7158 1.5260
+ 9 384.0000 1.4200
+ 10 340.6175 1.1050
+ 11 540.6336 0.9600
+ 12 340.6175 1.1050
+ 13 377.5752 1.4600
+ 14 483.4512 1.0260
+ 15 322.7158 1.5260
+ 16 228.0000 1.8000
+ 17 340.6175 1.1050
+ 18 180.0000 2.0000
+ 19 377.5752 1.4600
+ 20 322.7158 1.5260
+ 21 384.0000 1.4200
+ 22 322.7158 1.5260
+ 23 322.7158 1.5260
+ 24 322.7158 1.5260
+ 25 388.0000 1.3200
+ 26 388.0000 1.3200
+ 27 457.4592 1.0260
+ 28 283.0924 1.5200
+ 29 388.0000 1.3200
+ 30 283.0924 1.5100
+ 31 480.0000 1.3400
+ 32 363.4164 1.0800
+ 33 377.5752 1.4600
+ 34 283.0924 1.5200
+ 35 340.6175 1.1050
+ 36 400.0000 1.3700
+ 37 384.0000 1.3700
+ 38 283.0924 1.5200
+ 39 540.0000 1.2500
+
+Angle Coeffs
+
+ 1 41.6000 110.0000
+ 2 36.0000 105.5000
+ 3 46.6000 110.5000
+ 4 50.0000 109.5000
+ 5 45.0000 109.5000
+ 6 50.0000 109.5000
+ 7 44.4000 110.0000
+ 8 57.3000 109.5000
+ 9 68.0000 120.0000
+ 10 68.0000 120.0000
+ 11 53.5000 114.1000
+ 12 70.0000 109.5000
+ 13 46.6000 110.5000
+ 14 44.4000 110.0000
+ 15 70.0000 109.5000
+ 16 57.0000 109.5000
+ 17 44.4000 110.0000
+ 18 58.5000 106.0000
+ 19 44.4000 110.0000
+ 20 39.5000 106.4000
+ 21 111.0000 118.0000
+ 22 35.0000 122.0000
+ 23 37.5000 115.0000
+ 24 50.0000 109.5000
+ 25 50.0000 109.5000
+ 26 51.5000 109.5000
+ 27 46.6000 110.5000
+ 28 50.0000 109.5000
+ 29 44.4000 110.0000
+ 30 62.0000 109.0000
+ 31 45.0000 109.0000
+ 32 44.4000 110.0000
+ 33 39.5000 106.4000
+ 34 75.0000 109.5000
+ 35 37.0000 120.0000
+ 36 111.0000 118.0000
+ 37 50.0000 109.5000
+ 38 51.5000 109.5000
+ 39 44.4000 110.0000
+ 40 46.6000 110.5000
+ 41 46.6000 110.5000
+ 42 70.0000 109.5000
+ 43 57.0000 109.5000
+ 44 58.5000 106.0000
+ 45 46.6000 110.5000
+ 46 46.6000 110.5000
+ 47 44.4000 110.0000
+ 48 46.6000 110.5000
+ 49 44.4000 110.0000
+ 50 44.4000 110.0000
+ 51 44.4000 110.0000
+ 52 46.6000 110.5000
+ 53 46.6000 110.5000
+ 54 50.0000 109.5000
+ 55 44.4000 110.0000
+ 56 44.4000 110.0000
+ 57 111.0000 118.0000
+ 58 102.0000 120.0000
+ 59 102.0000 120.0000
+ 60 37.5000 115.0000
+ 61 33.0000 125.0000
+ 62 46.6000 110.5000
+ 63 45.0000 109.5000
+ 64 68.0000 120.0000
+ 65 68.0000 120.0000
+ 66 53.5000 114.1000
+ 67 37.5000 115.0000
+ 68 46.6000 110.5000
+ 69 44.4000 110.0000
+ 70 90.0000 120.0000
+ 71 44.2000 120.0000
+ 72 37.0000 120.0000
+ 73 46.6000 110.5000
+ 74 111.0000 118.0000
+ 75 35.0000 122.0000
+ 76 50.0000 109.5000
+ 77 45.0000 109.5000
+ 78 51.5000 109.5000
+ 79 39.5000 106.4000
+ 80 68.0000 120.0000
+ 81 53.5000 114.1000
+ 82 46.6000 110.5000
+ 83 145.0000 123.0000
+ 84 122.8000 110.0000
+ 85 50.0000 112.0000
+ 86 60.0000 120.0000
+ 87 50.0000 109.0000
+ 88 46.6000 110.5000
+ 89 50.0000 109.5000
+ 90 45.0000 109.5000
+ 91 145.0000 123.0000
+ 92 68.0000 120.0000
+
+Dihedral Coeffs
+
+ 1 0.0889 1.0000 3.0000
+ 2 0.0889 1.0000 3.0000
+ 3 0.0889 1.0000 3.0000
+ 4 0.0000 1.0000 0.0000
+ 5 0.0000 1.0000 0.0000
+ 6 0.0000 1.0000 0.0000
+ 7 0.0000 1.0000 0.0000
+ 8 0.0000 1.0000 0.0000
+ 9 0.0000 1.0000 0.0000
+ 10 0.1581 1.0000 3.0000
+ 11 0.1581 1.0000 3.0000
+ 12 0.1581 1.0000 3.0000
+ 13 0.1581 1.0000 3.0000
+ 14 0.1581 1.0000 3.0000
+ 15 0.1581 1.0000 3.0000
+ 16 0.1581 1.0000 3.0000
+ 17 0.1581 1.0000 3.0000
+ 18 0.1581 1.0000 3.0000
+ 19 3.8000 -1.0000 2.0000
+ 20 1.8000 -1.0000 2.0000
+ 21 3.2000 -1.0000 2.0000
+ 22 1.2000 -1.0000 2.0000
+ 23 0.1581 1.0000 3.0000
+ 24 0.1581 1.0000 3.0000
+ 25 0.1581 1.0000 3.0000
+ 26 0.1300 1.0000 3.0000
+ 27 0.1300 1.0000 3.0000
+ 28 0.1300 1.0000 3.0000
+ 29 0.0000 1.0000 0.0000
+ 30 0.0000 1.0000 0.0000
+ 31 0.0000 1.0000 0.0000
+ 32 0.0000 1.0000 0.0000
+ 33 0.0000 1.0000 0.0000
+ 34 0.0000 1.0000 0.0000
+ 35 0.0000 1.0000 0.0000
+ 36 0.0000 1.0000 0.0000
+ 37 0.1581 1.0000 3.0000
+ 38 0.1581 1.0000 3.0000
+ 39 0.1581 1.0000 3.0000
+ 40 0.0000 1.0000 0.0000
+ 41 0.0000 1.0000 0.0000
+ 42 0.0000 1.0000 0.0000
+ 43 0.0000 1.0000 0.0000
+ 44 0.1581 1.0000 3.0000
+ 45 0.1581 1.0000 3.0000
+ 46 0.1581 1.0000 3.0000
+ 47 0.1581 1.0000 3.0000
+ 48 0.1581 1.0000 3.0000
+ 49 0.1581 1.0000 3.0000
+ 50 0.1400 1.0000 3.0000
+ 51 0.1400 1.0000 3.0000
+ 52 5.5000 1.0000 2.0000
+ 53 3.8000 -1.0000 2.0000
+ 54 3.2000 -1.0000 2.0000
+ 55 0.0000 1.0000 0.0000
+ 56 0.0000 1.0000 0.0000
+ 57 0.0000 1.0000 0.0000
+ 58 0.0000 1.0000 0.0000
+ 59 0.0000 1.0000 0.0000
+ 60 0.0000 1.0000 0.0000
+ 61 0.0000 1.0000 0.0000
+ 62 0.1581 1.0000 3.0000
+ 63 0.1581 1.0000 3.0000
+ 64 0.1581 1.0000 3.0000
+ 65 0.1581 1.0000 3.0000
+ 66 0.1581 1.0000 3.0000
+ 67 0.1581 1.0000 3.0000
+ 68 0.1581 1.0000 3.0000
+ 69 0.1581 1.0000 3.0000
+ 70 0.1581 1.0000 3.0000
+ 71 0.1581 1.0000 3.0000
+ 72 0.1581 1.0000 3.0000
+ 73 0.1581 1.0000 3.0000
+ 74 0.1300 1.0000 3.0000
+ 75 0.1300 1.0000 3.0000
+ 76 0.1581 1.0000 3.0000
+ 77 0.1581 1.0000 3.0000
+ 78 0.1581 1.0000 3.0000
+ 79 0.1581 1.0000 3.0000
+ 80 0.1581 1.0000 3.0000
+ 81 0.1581 1.0000 3.0000
+ 82 0.1581 1.0000 3.0000
+ 83 0.1581 1.0000 3.0000
+ 84 0.1581 1.0000 3.0000
+ 85 0.1581 1.0000 3.0000
+ 86 0.1581 1.0000 3.0000
+ 87 0.1581 1.0000 3.0000
+ 88 0.1581 1.0000 3.0000
+ 89 0.0000 1.0000 0.0000
+ 90 0.0000 1.0000 0.0000
+ 91 0.0000 1.0000 0.0000
+ 92 0.0000 1.0000 0.0000
+ 93 0.1581 1.0000 3.0000
+ 94 0.1581 1.0000 3.0000
+ 95 0.1581 1.0000 3.0000
+ 96 0.0000 1.0000 0.0000
+ 97 0.0000 1.0000 0.0000
+ 98 3.4000 -1.0000 2.0000
+ 99 3.4000 -1.0000 2.0000
+100 3.4000 -1.0000 2.0000
+101 0.1581 1.0000 3.0000
+102 0.1581 1.0000 3.0000
+103 0.1581 1.0000 3.0000
+104 0.0000 1.0000 0.0000
+105 0.0000 1.0000 0.0000
+106 0.0000 1.0000 0.0000
+107 0.0000 1.0000 0.0000
+108 1.5000 -1.0000 2.0000
+109 1.5000 -1.0000 2.0000
+110 0.1581 1.0000 3.0000
+111 0.1581 1.0000 3.0000
+112 0.1581 1.0000 3.0000
+113 0.0000 1.0000 2.0000
+114 0.0000 1.0000 2.0000
+115 3.0000 -1.0000 2.0000
+116 3.0000 -1.0000 2.0000
+117 3.0000 -1.0000 2.0000
+118 3.0000 -1.0000 2.0000
+119 3.0000 -1.0000 2.0000
+120 0.1581 1.0000 3.0000
+121 0.1581 1.0000 3.0000
+122 0.1581 1.0000 3.0000
+123 0.1581 1.0000 3.0000
+124 0.1581 1.0000 3.0000
+125 3.8000 -1.0000 2.0000
+126 3.2000 -1.0000 2.0000
+127 0.0000 1.0000 0.0000
+128 0.0000 1.0000 0.0000
+129 0.0000 1.0000 0.0000
+130 0.0000 1.0000 0.0000
+131 0.0000 1.0000 0.0000
+132 0.0000 1.0000 0.0000
+133 0.0000 1.0000 0.0000
+134 0.0000 1.0000 0.0000
+135 3.2000 -1.0000 2.0000
+136 1.2000 -1.0000 2.0000
+137 0.1581 1.0000 3.0000
+138 0.1581 1.0000 3.0000
+139 0.0000 1.0000 0.0000
+140 0.0000 1.0000 0.0000
+141 0.0000 1.0000 0.0000
+142 2.2500 -1.0000 2.0000
+143 2.2500 -1.0000 2.0000
+144 3.0000 -1.0000 2.0000
+145 3.0000 -1.0000 2.0000
+146 0.7500 -1.0000 2.0000
+147 0.0000 1.0000 0.0000
+148 0.0000 1.0000 0.0000
+149 0.0000 1.0000 0.0000
+150 0.0000 1.0000 0.0000
+151 0.0000 1.0000 0.0000
+152 0.0000 1.0000 0.0000
+153 0.1581 1.0000 3.0000
+154 0.1581 1.0000 3.0000
+
+Improper Coeffs
+
+ 1 10.0000 -1.0000 2.0000
+ 2 10.0000 -1.0000 2.0000
+ 3 0.0500 -1.0000 2.0000
+ 4 10.0000 -1.0000 2.0000
+ 5 10.0000 -1.0000 2.0000
+ 6 10.0000 -1.0000 2.0000
+ 7 10.0000 -1.0000 2.0000
+ 8 0.3700 -1.0000 2.0000
+ 9 0.3700 -1.0000 2.0000
+ 10 10.0000 -1.0000 2.0000
+ 11 10.0000 -1.0000 2.0000
+ 12 11.6000 -1.0000 2.0000
+ 13 0.0000 -1.0000 2.0000
+ 14 11.6000 -1.0000 2.0000
+
+Atoms
+
+ 1 0 1 -0.500000 17.047000885 14.098999977 3.625000000
+ 2 0 2 0.360000 16.238992691 14.681707382 3.886676073
+ 3 0 2 0.360000 17.917675018 14.581335068 3.889913321
+ 4 0 2 0.360000 17.039421082 13.939416885 2.607465982
+ 5 0 3 0.320000 16.966999054 12.784000397 4.337999821
+ 6 0 4 0.100000 16.972635269 11.928232193 3.662923098
+ 7 0 5 0.380000 15.685000420 12.755000114 5.132999897
+ 8 0 6 -0.380000 15.267999649 13.824999809 5.593999863
+ 9 0 7 -0.070000 18.170000076 12.703000069 5.336999893
+ 10 0 4 0.100000 18.120826721 13.621001244 5.922624588
+ 11 0 8 -0.380000 19.333999634 12.829000473 4.462999821
+ 12 0 9 0.350000 19.691650391 13.794054985 4.503693104
+ 13 0 10 -0.300000 18.149999619 11.545999527 6.303999901
+ 14 0 4 0.100000 19.007284164 11.616475105 6.973474979
+ 15 0 4 0.100000 17.230155945 11.575787544 6.888035774
+ 16 0 4 0.100000 18.198083878 10.608263016 5.750428200
+ 17 0 11 -0.500000 15.114999771 11.555000305 5.264999866
+ 18 0 2 0.280000 15.528337479 10.717791557 4.830105782
+ 19 0 3 0.120000 13.855999947 11.468999863 6.065999985
+ 20 0 4 0.100000 13.508913994 12.491562843 6.214313030
+ 21 0 5 0.380000 14.163999557 10.784999847 7.379000187
+ 22 0 6 -0.380000 14.993000031 9.862000465 7.442999840
+ 23 0 7 -0.070000 12.732000351 10.711000443 5.261000156
+ 24 0 4 0.100000 11.753349304 10.621357918 5.732493877
+ 25 0 8 -0.380000 13.307999611 9.439000130 4.926000118
+ 26 0 9 0.350000 12.585855484 8.833214760 4.510751247
+ 27 0 10 -0.300000 12.484000206 11.442000389 3.894999981
+ 28 0 4 0.100000 11.803796768 10.849267006 3.283370495
+ 29 0 4 0.100000 12.044157028 12.421771049 4.081242085
+ 30 0 4 0.100000 13.431519508 11.563512802 3.370076180
+ 31 0 11 -0.500000 13.487999916 11.241000175 8.416999817
+ 32 0 2 0.280000 12.810626030 12.002311707 8.267102242
+ 33 0 3 0.120000 13.659999847 10.706999779 9.786999702
+ 34 0 4 0.100000 14.238283157 9.783084869 9.778588295
+ 35 0 5 0.380000 12.269000053 10.430999756 10.322999954
+ 36 0 6 -0.380000 11.392999649 11.307999611 10.185000420
+ 37 0 12 -0.300000 14.368000031 11.748000145 10.690999985
+ 38 0 4 0.100000 13.670405388 12.570071220 10.851186752
+ 39 0 4 0.100000 14.606354713 11.254445076 11.633172989
+ 40 0 13 0.100000 15.885000229 12.425999641 10.015999794
+ 41 0 11 -0.500000 12.019000053 9.272000313 10.928000450
+ 42 0 2 0.280000 12.770128250 8.579818726 11.060630798
+ 43 0 3 0.120000 10.645999908 8.991000175 11.407999992
+ 44 0 4 0.100000 10.045209885 9.855814934 11.126492500
+ 45 0 5 0.380000 10.654000282 8.793000221 12.918999672
+ 46 0 6 -0.380000 11.659000397 8.295999527 13.491000175
+ 47 0 12 -0.300000 10.057000160 7.751999855 10.682000160
+ 48 0 4 0.100000 10.731808662 6.925758839 10.905740738
+ 49 0 4 0.100000 9.122684479 7.521792412 11.194015503
+ 50 0 13 0.100000 9.836999893 8.017999649 8.904000282
+ 51 0 11 -0.420000 9.560999870 9.107999802 13.562999725
+ 52 0 3 0.060000 9.447999954 9.034000397 15.012000084
+ 53 0 4 0.100000 10.341467857 9.534400940 15.385380745
+ 54 0 12 0.060000 8.366000175 9.803999901 12.958000183
+ 55 0 4 0.100000 8.002507210 9.270477295 12.079748154
+ 56 0 4 0.100000 8.616027832 10.819077492 12.649448395
+ 57 0 5 0.380000 9.288000107 7.670000076 15.605999947
+ 58 0 6 -0.380000 9.489999771 7.519000053 16.819000244
+ 59 0 12 -0.200000 8.229999542 9.956999779 15.345000267
+ 60 0 4 0.100000 7.714309216 9.644173622 16.252912521
+ 61 0 4 0.100000 8.527364731 10.997467041 15.475772858
+ 62 0 12 -0.200000 7.337999821 9.786000252 14.114000320
+ 63 0 4 0.100000 6.782078266 8.848659515 14.135046959
+ 64 0 4 0.100000 6.614880562 10.595389366 14.013560295
+ 65 0 11 -0.500000 8.875000000 6.685999870 14.795999527
+ 66 0 2 0.280000 8.693690300 6.898229599 13.804543495
+ 67 0 3 0.120000 8.673000336 5.314000130 15.279000282
+ 68 0 4 0.100000 9.487320900 5.098019123 15.970617294
+ 69 0 5 0.380000 8.753000259 4.375999928 14.083000183
+ 70 0 6 -0.380000 8.725999832 4.857999802 12.923000336
+ 71 0 12 -0.170000 7.340000153 5.120999813 15.996000290
+ 72 0 4 0.100000 7.303732872 4.135610104 16.460533142
+ 73 0 4 0.100000 7.204785347 5.896010399 16.750438690
+ 74 0 8 -0.380000 6.274000168 5.219999790 15.031000137
+ 75 0 9 0.350000 6.086399078 6.211903572 14.826469421
+ 76 0 11 -0.500000 8.880999565 3.075000048 14.357999802
+ 77 0 2 0.280000 8.958233833 2.761164188 15.335978508
+ 78 0 3 0.120000 8.911999702 2.082999945 13.258000374
+ 79 0 4 0.100000 9.752125740 2.304961205 12.599957466
+ 80 0 5 0.380000 7.580999851 2.089999914 12.505999565
+ 81 0 6 -0.380000 7.670000076 2.030999899 11.244999886
+ 82 0 7 -0.100000 9.206999779 0.676999986 13.923999786
+ 83 0 4 0.100000 8.631069183 0.572530746 14.843504906
+ 84 0 12 -0.200000 10.713999748 0.702000022 14.312000275
+ 85 0 4 0.100000 11.291265488 0.728613675 13.387794495
+ 86 0 4 0.100000 10.887344360 1.603095889 14.900283813
+ 87 0 10 -0.300000 8.810999870 -0.476999998 12.968999863
+ 88 0 4 0.100000 9.032923698 -1.433422685 13.442394257
+ 89 0 4 0.100000 7.744652271 -0.418968171 12.750744820
+ 90 0 4 0.100000 9.376438141 -0.391609550 12.041049957
+ 91 0 10 -0.300000 11.185000420 -0.515999973 15.142000198
+ 92 0 4 0.100000 11.020709038 -1.430322766 14.571805000
+ 93 0 4 0.100000 12.246717453 -0.414458960 15.366830826
+ 94 0 4 0.100000 10.619837761 -0.562440276 16.072879791
+ 95 0 11 -0.500000 6.458000183 2.161999941 13.159000397
+ 96 0 2 0.280000 6.476118088 2.187154531 14.188533783
+ 97 0 3 0.120000 5.144999981 2.209000111 12.453000069
+ 98 0 4 0.100000 5.026936531 1.265246391 11.920561790
+ 99 0 5 0.380000 5.114999771 3.378999949 11.461000443
+ 100 0 6 -0.380000 4.664000034 3.267999887 10.343000412
+ 101 0 7 -0.100000 3.994999886 2.354000092 13.477999687
+ 102 0 4 0.100000 4.418568611 3.051678419 14.200449944
+ 103 0 10 -0.300000 2.716000080 2.891000032 12.869000435
+ 104 0 4 0.100000 1.981043458 3.059607983 13.656088829
+ 105 0 4 0.100000 2.923026085 3.831490993 12.358395576
+ 106 0 4 0.100000 2.322393417 2.168816090 12.153719902
+ 107 0 10 -0.300000 3.757999897 1.031999946 14.208000183
+ 108 0 4 0.100000 3.374393702 0.292122275 13.505486488
+ 109 0 4 0.100000 4.697329521 0.676970363 14.631930351
+ 110 0 4 0.100000 3.033046246 1.182916164 15.007855415
+ 111 0 11 -0.500000 5.605999947 4.546000004 11.940999985
+ 112 0 2 0.280000 5.984637260 4.591287613 12.897809029
+ 113 0 3 0.120000 5.598000050 5.767000198 11.081999779
+ 114 0 4 0.100000 4.565777779 5.921326160 10.767674446
+ 115 0 5 0.380000 6.440999985 5.526999950 9.850000381
+ 116 0 6 -0.380000 6.052000046 5.933000088 8.744000435
+ 117 0 10 -0.300000 6.021999836 6.977000237 11.890999794
+ 118 0 4 0.100000 5.950239658 7.871601582 11.272420883
+ 119 0 4 0.100000 5.369528770 7.081964016 12.757813454
+ 120 0 4 0.100000 7.051515102 6.848640919 12.225253105
+ 121 0 11 -0.500000 7.646999836 4.908999920 10.005000114
+ 122 0 2 0.280000 7.968383789 4.648912430 10.948380470
+ 123 0 3 0.120000 8.496000290 4.609000206 8.836999893
+ 124 0 4 0.100000 8.672454834 5.551135063 8.318015099
+ 125 0 5 0.380000 7.797999859 3.608999968 7.875999928
+ 126 0 6 -0.380000 7.877999783 3.778000116 6.651000023
+ 127 0 12 -0.200000 9.847000122 4.019999981 9.305000305
+ 128 0 4 0.110000 10.292553902 4.780714035 9.946011543
+ 129 0 4 0.110000 9.592742920 3.191395044 9.965959549
+ 130 0 12 -0.200000 10.751999855 3.607000113 8.149000168
+ 131 0 4 0.130000 11.631093979 3.136696339 8.589575768
+ 132 0 4 0.130000 10.187005997 2.897431850 7.544521332
+ 133 0 12 -0.160000 11.225999832 4.698999882 7.243999958
+ 134 0 4 0.130000 11.795847893 4.300052166 6.404825211
+ 135 0 4 0.130000 10.397437096 5.319350719 6.902313709
+ 136 0 11 -0.560000 12.142999649 5.571000099 8.034999847
+ 137 0 14 0.380000 12.758000374 6.609000206 7.442999840
+ 138 0 15 -0.560000 12.538999557 6.932000160 6.157999992
+ 139 0 2 0.280000 11.887275696 6.371951103 5.590105534
+ 140 0 2 0.280000 13.022671700 7.739827156 5.740416050
+ 141 0 15 -0.560000 13.600999832 7.322000027 8.201999664
+ 142 0 2 0.280000 13.756224632 7.059009075 9.185687065
+ 143 0 2 0.280000 14.093895912 8.133021355 7.801752567
+ 144 0 11 -0.500000 7.185999870 2.582000017 8.444999695
+ 145 0 2 0.280000 7.181996822 2.472300768 9.469133377
+ 146 0 3 0.120000 6.500000000 1.583999991 7.565000057
+ 147 0 4 0.100000 7.232992172 1.158654571 6.879504681
+ 148 0 5 0.380000 5.381999969 2.312999964 6.772999763
+ 149 0 6 -0.380000 5.212999821 2.016000032 5.557000160
+ 150 0 12 -0.170000 5.907999992 0.462000012 8.399999619
+ 151 0 4 0.100000 5.275885105 0.867496729 9.190001488
+ 152 0 4 0.100000 5.339412212 -0.222457558 7.770455360
+ 153 0 8 -0.380000 6.989999771 -0.272000015 9.012000084
+ 154 0 9 0.350000 6.754035950 -0.477917194 9.993233681
+ 155 0 11 -0.500000 4.647999763 3.181999922 7.446000099
+ 156 0 2 0.280000 4.830713749 3.344167471 8.446608543
+ 157 0 3 0.120000 3.545000076 3.934999943 6.750999928
+ 158 0 4 0.100000 2.931945086 3.139469147 6.327450275
+ 159 0 5 0.380000 4.106999874 4.850999832 5.690999985
+ 160 0 6 -0.380000 3.536000013 5.000999928 4.617000103
+ 161 0 12 -0.200000 2.663000107 4.677000046 7.748000145
+ 162 0 4 0.100000 3.340831280 5.294844151 8.336993217
+ 163 0 4 0.100000 2.070847750 5.373784065 7.154748440
+ 164 0 5 0.380000 1.802000046 3.734999895 8.609999657
+ 165 0 6 -0.380000 1.567000031 2.612999916 8.164999962
+ 166 0 15 -0.560000 1.394000053 4.251999855 9.767000198
+ 167 0 2 0.280000 1.661958218 5.212530613 10.024837494
+ 168 0 2 0.280000 0.810311615 3.691485643 10.404206276
+ 169 0 11 -0.500000 5.258999825 5.498000145 6.005000114
+ 170 0 2 0.280000 5.665558815 5.373039246 6.943080425
+ 171 0 3 0.120000 5.928999901 6.357999802 5.054999828
+ 172 0 4 0.100000 5.242126465 7.176824093 4.840915680
+ 173 0 5 0.380000 6.303999901 5.578000069 3.799000025
+ 174 0 6 -0.380000 6.136000156 6.072000027 2.653000116
+ 175 0 12 -0.200000 7.183000088 6.993999958 5.754000187
+ 176 0 4 0.100000 6.822110653 7.422051907 6.689217091
+ 177 0 4 0.100000 7.827757359 6.160566807 6.032885551
+ 178 0 16 0.000000 7.883999825 8.005999565 4.882999897
+ 179 0 16 -0.100000 8.906000137 7.585999966 4.026999950
+ 180 0 4 0.100000 9.200509071 6.536970615 3.996972561
+ 181 0 16 -0.100000 7.532000065 9.373000145 4.982999802
+ 182 0 4 0.100000 6.777885437 9.706417084 5.695912361
+ 183 0 16 -0.100000 9.560000420 8.538999557 3.194000006
+ 184 0 4 0.100000 10.356478691 8.246096611 2.509945869
+ 185 0 16 -0.100000 8.175999641 10.281000137 4.144999981
+ 186 0 4 0.100000 7.907211304 11.336964607 4.173122406
+ 187 0 16 -0.100000 9.140999794 9.845000267 3.292000055
+ 188 0 4 0.100000 9.614526749 10.580624580 2.641823530
+ 189 0 11 -0.500000 6.900000095 4.389999866 3.989000082
+ 190 0 2 0.280000 7.056817055 4.026083469 4.939722538
+ 191 0 3 0.120000 7.330999851 3.607000113 2.790999889
+ 192 0 4 0.100000 8.025202751 4.266238213 2.269859314
+ 193 0 5 0.380000 6.116000175 3.210000038 1.914999962
+ 194 0 6 -0.380000 6.239999771 3.144000053 0.684000015
+ 195 0 12 -0.200000 8.145000458 2.404000044 3.240000010
+ 196 0 4 0.100000 7.607684612 1.901341796 4.044192791
+ 197 0 4 0.100000 8.238607407 1.714848042 2.400710344
+ 198 0 5 0.380000 9.555000305 2.855999947 3.730000019
+ 199 0 6 -0.380000 10.012999535 3.894999981 3.322999954
+ 200 0 15 -0.560000 10.119999886 1.955999970 4.539000034
+ 201 0 2 0.280000 9.602790833 1.105753064 4.804471970
+ 202 0 2 0.280000 11.072957993 2.112127066 4.897321224
+ 203 0 11 -0.500000 4.993000031 2.927000046 2.571000099
+ 204 0 2 0.280000 4.955123901 2.932416916 3.600289106
+ 205 0 3 0.120000 3.782000065 2.598999977 1.741999984
+ 206 0 4 0.100000 4.121348858 1.813766837 1.066462040
+ 207 0 5 0.380000 3.296000004 3.871000051 1.003999949
+ 208 0 6 -0.380000 2.947000027 3.816999912 -0.188999996
+ 209 0 7 -0.100000 2.697999954 1.952999949 2.608000040
+ 210 0 4 0.100000 2.505213737 2.550559521 3.498986244
+ 211 0 10 -0.300000 1.383999944 1.825999975 1.805999994
+ 212 0 4 0.100000 0.627347350 1.339950681 2.421900034
+ 213 0 4 0.100000 1.035640240 2.818121433 1.518877268
+ 214 0 4 0.100000 1.560454965 1.230180860 0.910475850
+ 215 0 10 -0.300000 3.174000025 0.532999992 3.005000114
+ 216 0 4 0.100000 3.344338417 -0.058414809 2.105381727
+ 217 0 4 0.100000 4.101772785 0.605659664 3.572501659
+ 218 0 4 0.100000 2.411232710 0.051358268 3.616807222
+ 219 0 11 -0.500000 3.321000099 4.986999989 1.720000029
+ 220 0 2 0.280000 3.642014980 4.956790447 2.698231459
+ 221 0 3 0.120000 2.890000105 6.284999847 1.126000047
+ 222 0 4 0.100000 1.819724441 6.204565048 0.935894310
+ 223 0 5 0.380000 3.687000036 6.597000122 -0.111000001
+ 224 0 6 -0.380000 3.200000048 7.146999836 -1.103000045
+ 225 0 12 -0.300000 3.039000034 7.368999958 2.240000010
+ 226 0 4 0.100000 2.427302361 7.046223164 3.082461596
+ 227 0 4 0.100000 4.076938152 7.344151497 2.571914196
+ 228 0 13 0.100000 2.559000015 9.013999939 1.649000049
+ 229 0 11 -0.500000 4.997000217 6.227000237 -0.100000001
+ 230 0 2 0.280000 5.366806507 5.742030144 0.730028629
+ 231 0 3 0.120000 5.894999981 6.488999844 -1.213000059
+ 232 0 4 0.100000 5.606140137 7.505477905 -1.480268955
+ 233 0 5 0.380000 5.737999916 5.559999943 -2.408999920
+ 234 0 6 -0.380000 6.228000164 5.901000023 -3.506999969
+ 235 0 12 -0.200000 7.369999886 6.506999969 -0.731000006
+ 236 0 4 0.110000 7.554117680 5.576966763 -0.193190947
+ 237 0 4 0.110000 8.006169319 6.572014809 -1.613701701
+ 238 0 12 -0.200000 7.717000008 7.686999798 0.206000000
+ 239 0 4 0.130000 6.892404079 7.845237732 0.901055515
+ 240 0 4 0.130000 8.617112160 7.442208767 0.769892812
+ 241 0 12 -0.160000 7.948999882 8.946999550 -0.615000010
+ 242 0 4 0.130000 7.120620728 9.063755989 -1.313753128
+ 243 0 4 0.130000 7.958537579 9.803778648 0.058749799
+ 244 0 11 -0.560000 9.211999893 8.855999947 -1.337000012
+ 245 0 14 0.380000 9.536999702 9.532999992 -2.430999994
+ 246 0 15 -0.560000 8.659000397 10.350000381 -3.032000065
+ 247 0 2 0.280000 7.687877178 10.401560783 -2.692646742
+ 248 0 2 0.280000 8.956042290 10.925786018 -3.832710981
+ 249 0 15 -0.560000 10.793000221 9.491000175 -2.898999929
+ 250 0 2 0.280000 11.487204552 8.872345924 -2.456000090
+ 251 0 2 0.280000 11.063426018 10.077307701 -3.701504469
+ 252 0 11 -0.500000 5.051000118 4.410999775 -2.203999996
+ 253 0 2 0.280000 4.617259026 4.215945244 -1.290368676
+ 254 0 3 0.120000 4.933000088 3.430999994 -3.325999975
+ 255 0 4 0.100000 5.980045319 3.132587433 -3.378404140
+ 256 0 5 0.380000 4.396999836 4.013999939 -4.619999886
+ 257 0 6 -0.380000 4.987999916 3.755000114 -5.686999798
+ 258 0 12 -0.200000 4.196000099 2.184000015 -2.862999916
+ 259 0 4 0.100000 3.339328766 2.530950308 -2.285211325
+ 260 0 4 0.100000 3.882649422 1.660040379 -3.765982628
+ 261 0 7 -0.100000 4.960000038 1.177999973 -1.991000056
+ 262 0 4 0.100000 5.379372120 1.654240489 -1.104759574
+ 263 0 10 -0.300000 3.907000065 0.097000003 -1.633999944
+ 264 0 4 0.100000 4.372385025 -0.676563323 -1.023166656
+ 265 0 4 0.100000 3.089181185 0.555318415 -1.077927470
+ 266 0 4 0.100000 3.518241882 -0.348654836 -2.549619913
+ 267 0 10 -0.300000 6.129000187 0.606000006 -2.767999887
+ 268 0 4 0.100000 5.767732143 0.166402578 -3.697698832
+ 269 0 4 0.100000 6.839241505 1.401178122 -2.994605541
+ 270 0 4 0.100000 6.621874809 -0.161501810 -2.171245098
+ 271 0 11 -0.420000 3.328999996 4.795000076 -4.543000221
+ 272 0 3 0.060000 2.792000055 5.375999928 -5.796999931
+ 273 0 4 0.100000 2.750592709 4.562232971 -6.520994663
+ 274 0 12 0.060000 2.421000004 4.940999985 -3.407999992
+ 275 0 4 0.100000 2.893075705 5.502179623 -2.601574659
+ 276 0 4 0.100000 2.129873276 3.967023134 -3.014662504
+ 277 0 5 0.380000 3.572999954 6.539999962 -6.322000027
+ 278 0 6 -0.380000 3.259999990 7.045000076 -7.421999931
+ 279 0 12 -0.200000 1.358000040 5.765999794 -5.472000122
+ 280 0 4 0.100000 1.137144327 6.795158386 -5.755116940
+ 281 0 4 0.100000 0.636163235 5.061525822 -5.885241508
+ 282 0 12 -0.200000 1.223000050 5.693999767 -3.993000031
+ 283 0 4 0.100000 1.192069173 6.702612400 -3.580879211
+ 284 0 4 0.100000 0.303467065 5.167813301 -3.736705542
+ 285 0 11 -0.500000 4.565000057 7.046999931 -5.559000015
+ 286 0 2 0.280000 4.763685703 6.625352859 -4.640502453
+ 287 0 17 0.020000 5.366000175 8.190999985 -6.018000126
+ 288 0 4 0.100000 6.411324024 7.914688587 -5.879978657
+ 289 0 4 0.100000 5.204787731 8.272821426 -7.092902660
+ 290 0 5 0.380000 5.006999969 9.480999947 -5.280000210
+ 291 0 6 -0.380000 5.534999847 10.510000229 -5.730000019
+ 292 0 11 -0.500000 4.181000233 9.437999725 -4.262000084
+ 293 0 2 0.280000 3.805485964 8.521671295 -3.978747845
+ 294 0 3 0.120000 3.766999960 10.609000206 -3.513000011
+ 295 0 4 0.100000 3.186850548 11.287978172 -4.137912750
+ 296 0 5 0.380000 5.017000198 11.397000313 -3.042000055
+ 297 0 6 -0.380000 5.947000027 10.756999969 -2.523000002
+ 298 0 7 -0.070000 2.992000103 10.187999725 -2.224999905
+ 299 0 4 0.100000 3.722551346 9.746408463 -1.547215223
+ 300 0 8 -0.380000 2.051000118 9.144000053 -2.622999907
+ 301 0 9 0.350000 1.135602355 9.567562103 -2.831667185
+ 302 0 10 -0.300000 2.259999990 11.348999977 -1.550999999
+ 303 0 4 0.100000 1.741620898 10.986124992 -0.663473487
+ 304 0 4 0.100000 2.980043650 12.114913940 -1.262877345
+ 305 0 4 0.100000 1.535783529 11.774766922 -2.245502472
+ 306 0 11 -0.420000 4.971000195 12.703000069 -3.176000118
+ 307 0 3 0.060000 6.143000126 13.512999535 -2.696000099
+ 308 0 4 0.100000 7.038496494 13.344851494 -3.294257641
+ 309 0 12 0.060000 3.963999987 13.567000389 -3.811000109
+ 310 0 4 0.100000 3.145355940 13.595741272 -3.091906309
+ 311 0 4 0.100000 3.722736835 13.055393219 -4.742746353
+ 312 0 5 0.380000 6.400000095 13.232999802 -1.225000024
+ 313 0 6 -0.380000 5.485000134 13.060999870 -0.381999999
+ 314 0 12 -0.200000 5.703000069 14.968999863 -2.920000076
+ 315 0 4 0.100000 5.180837631 15.406009674 -2.068842649
+ 316 0 4 0.100000 6.486554623 15.606681824 -3.329272270
+ 317 0 12 -0.200000 4.676000118 14.892999649 -3.996000051
+ 318 0 4 0.100000 3.913127184 15.665482521 -3.899067879
+ 319 0 4 0.100000 5.117558002 14.866248131 -4.992198467
+ 320 0 11 -0.500000 7.728000164 13.296999931 -0.921000004
+ 321 0 2 0.280000 8.435604095 13.473001480 -1.648475647
+ 322 0 3 0.120000 8.114000320 13.102999687 0.500000000
+ 323 0 4 0.100000 7.816065788 12.094260216 0.785972416
+ 324 0 5 0.380000 7.427000046 14.072999954 1.409999967
+ 325 0 6 -0.380000 7.035999775 13.682000160 2.539999962
+ 326 0 12 -0.200000 9.647999763 13.284999847 0.660000026
+ 327 0 4 0.100000 9.905550957 14.228507996 0.178793058
+ 328 0 4 0.100000 9.841214180 13.411215782 1.725287557
+ 329 0 12 -0.200000 10.439999580 12.093000412 0.063000001
+ 330 0 4 0.100000 9.979146957 11.185737610 0.453625947
+ 331 0 4 0.100000 10.252198219 12.100539207 -1.010673165
+ 332 0 5 0.380000 11.940999985 12.170000076 0.391000003
+ 333 0 6 -0.350000 12.416000366 13.225000381 0.680999994
+ 334 0 8 -0.380000 12.538999557 11.069999695 0.291999996
+ 335 0 9 0.350000 11.852339745 10.318097115 0.136945918
+ 336 0 11 -0.500000 7.211999893 15.333999634 0.966000021
+ 337 0 2 0.280000 7.454528332 15.605654716 0.002525384
+ 338 0 3 0.120000 6.613999844 16.316999435 1.912999988
+ 339 0 4 0.100000 7.281579018 16.350204468 2.774008274
+ 340 0 5 0.380000 5.211999893 15.935999870 2.349999905
+ 341 0 6 -0.380000 4.782000065 16.166000366 3.494999886
+ 342 0 10 -0.300000 6.605000019 17.694999695 1.246000051
+ 343 0 4 0.100000 6.237848759 18.439016342 1.952922821
+ 344 0 4 0.100000 7.617130280 17.956361771 0.937162876
+ 345 0 4 0.100000 5.953601360 17.672107697 0.372354269
+ 346 0 11 -0.500000 4.445000172 15.317999840 1.404999971
+ 347 0 2 0.280000 4.817237854 15.149471283 0.459517360
+ 348 0 3 0.120000 3.073999882 14.894000053 1.756000042
+ 349 0 4 0.100000 2.651019573 15.738821983 2.299565554
+ 350 0 5 0.380000 3.085000038 13.642999649 2.644999981
+ 351 0 6 -0.380000 2.315000057 13.522999763 3.578000069
+ 352 0 7 -0.100000 2.203999996 14.637000084 0.462000012
+ 353 0 4 0.100000 2.766484499 14.064008713 -0.275151134
+ 354 0 12 -0.200000 1.815000057 16.048000336 -0.128999993
+ 355 0 4 0.100000 2.730222702 16.635150909 -0.204643890
+ 356 0 4 0.100000 1.443681121 15.888158798 -1.141261339
+ 357 0 10 -0.300000 0.902999997 13.864000320 0.810999990
+ 358 0 4 0.100000 0.304098606 13.734000206 -0.090398379
+ 359 0 4 0.100000 1.159095764 12.886850357 1.220502138
+ 360 0 4 0.100000 0.331401974 14.427850723 1.548189402
+ 361 0 10 -0.300000 0.755999982 16.760999680 0.757000029
+ 362 0 4 0.100000 1.158126354 16.905153275 1.759802103
+ 363 0 4 0.100000 0.510290921 17.729721069 0.321907312
+ 364 0 4 0.100000 -0.144283146 16.148948669 0.811632454
+ 365 0 11 -0.500000 4.032000065 12.763999939 2.312999964
+ 366 0 2 0.280000 4.636651039 12.911288261 1.492266655
+ 367 0 3 0.120000 4.179999828 11.548999786 3.187000036
+ 368 0 4 0.100000 3.168948889 11.146821976 3.251257181
+ 369 0 5 0.380000 4.631999969 11.944000244 4.596000195
+ 370 0 6 -0.380000 4.227000237 11.251999855 5.546999931
+ 371 0 12 -0.300000 5.038000107 10.517999649 2.539000034
+ 372 0 4 0.100000 5.986673355 10.992624283 2.288298368
+ 373 0 4 0.100000 5.186637402 9.715300560 3.261275530
+ 374 0 13 0.100000 4.348999977 9.793999672 1.021999955
+ 375 0 11 -0.500000 5.407999992 13.012000084 4.693999767
+ 376 0 2 0.280000 5.691634178 13.513016701 3.839930773
+ 377 0 3 0.120000 5.879000187 13.501999855 6.026000023
+ 378 0 4 0.100000 6.445541859 12.670074463 6.444367886
+ 379 0 5 0.380000 4.696000099 13.907999992 6.881999969
+ 380 0 6 -0.380000 4.527999878 13.421999931 8.024999619
+ 381 0 10 -0.300000 6.880000114 14.614999771 5.829999924
+ 382 0 4 0.100000 7.267490864 14.930619240 6.798676968
+ 383 0 4 0.100000 7.702079296 14.259757042 5.208639622
+ 384 0 4 0.100000 6.394177914 15.459349632 5.340969563
+ 385 0 11 -0.500000 3.826999903 14.802000046 6.357999802
+ 386 0 2 0.280000 3.955853701 15.176399231 5.407146454
+ 387 0 3 0.120000 2.690999985 15.220999718 7.193999767
+ 388 0 4 0.100000 3.191283464 15.484881401 8.125762939
+ 389 0 5 0.380000 1.672000051 14.131999969 7.434000015
+ 390 0 6 -0.380000 0.947000027 14.112000465 8.468000412
+ 391 0 7 -0.070000 1.985999942 16.520000458 6.613999844
+ 392 0 4 0.100000 1.055821180 16.708566666 7.150013447
+ 393 0 8 -0.380000 1.664000034 16.221000671 5.230000019
+ 394 0 9 0.350000 1.387834191 17.087430954 4.746335030
+ 395 0 10 -0.300000 2.914000034 17.739000320 6.699999809
+ 396 0 4 0.100000 2.420290470 18.604087830 6.257310867
+ 397 0 4 0.100000 3.144372940 17.947925568 7.744690895
+ 398 0 4 0.100000 3.837480545 17.532133102 6.159175873
+ 399 0 11 -0.500000 1.621000051 13.189999580 6.511000156
+ 400 0 2 0.280000 2.223951578 13.259345055 5.678810120
+ 401 0 3 0.120000 0.714999974 12.045000076 6.657000065
+ 402 0 4 0.100000 -0.294524491 12.413607597 6.838903904
+ 403 0 5 0.380000 1.125000000 11.125000000 7.815000057
+ 404 0 6 -0.380000 0.286000013 10.631999969 8.545000076
+ 405 0 12 -0.200000 0.754999995 11.229000092 5.322000027
+ 406 0 4 0.100000 0.514248192 11.922528267 4.516296864
+ 407 0 4 0.100000 1.786919236 10.911371231 5.172484398
+ 408 0 16 0.000000 -0.202999994 10.043999672 5.354000092
+ 409 0 16 -0.100000 -1.547000051 10.336999893 5.644999981
+ 410 0 4 0.100000 -1.844175816 11.365451813 5.850120068
+ 411 0 16 -0.100000 0.193000004 8.750000000 5.099999905
+ 412 0 4 0.100000 1.231727839 8.520407677 4.862445831
+ 413 0 16 -0.100000 -2.496000051 9.329000473 5.672999859
+ 414 0 4 0.100000 -3.542724609 9.551148415 5.880649567
+ 415 0 16 -0.100000 -0.800999999 7.704999924 5.156000137
+ 416 0 4 0.100000 -0.521442473 6.666428089 4.979036331
+ 417 0 16 0.030000 -2.078999996 8.031000137 5.429999828
+ 418 0 8 -0.380000 -3.096999884 7.057000160 5.458000183
+ 419 0 9 0.350000 -4.016462326 7.520978928 5.472573757
+ 420 0 11 -0.500000 2.470000029 10.984000206 7.994999886
+ 421 0 2 0.280000 3.124760151 11.572608948 7.460463524
+ 422 0 3 0.120000 2.986000061 9.994000435 8.949999809
+ 423 0 4 0.100000 2.109365702 9.410336494 9.230978012
+ 424 0 5 0.380000 3.608999968 10.505000114 10.229999542
+ 425 0 6 -0.380000 3.766000032 9.715000153 11.185999870
+ 426 0 7 -0.070000 4.076000214 9.102999687 8.225000381
+ 427 0 4 0.100000 4.516047001 8.447491646 8.976511002
+ 428 0 8 -0.380000 5.125000000 10.027000427 7.823999882
+ 429 0 9 0.350000 5.989885330 9.809993744 8.339540482
+ 430 0 10 -0.300000 3.493000031 8.324000359 7.034999847
+ 431 0 4 0.100000 4.283595562 7.746788025 6.555538177
+ 432 0 4 0.100000 2.714145184 7.648486614 7.388787270
+ 433 0 4 0.100000 3.067262888 9.023551941 6.315641403
+ 434 0 11 -0.500000 3.983999968 11.763999939 10.241000175
+ 435 0 2 0.280000 3.725119591 12.370410919 9.449706078
+ 436 0 17 0.020000 4.769000053 12.336000443 11.359999657
+ 437 0 4 0.100000 4.444449425 13.369131088 11.484130859
+ 438 0 4 0.100000 4.479221344 11.798232079 12.262736320
+ 439 0 5 0.380000 6.255000114 12.243000031 11.105999947
+ 440 0 6 -0.380000 7.037000179 12.750000000 11.954000473
+ 441 0 11 -0.500000 6.710000038 11.630999565 9.991999626
+ 442 0 2 0.280000 6.054100990 11.116460800 9.387064934
+ 443 0 3 0.120000 8.140000343 11.694000244 9.635000229
+ 444 0 4 0.100000 8.678412437 11.410507202 10.539347649
+ 445 0 5 0.380000 8.500000000 13.140999794 9.206000328
+ 446 0 6 -0.380000 7.580999851 13.949000359 8.944000244
+ 447 0 12 -0.300000 8.503999710 10.685999870 8.529999733
+ 448 0 4 0.100000 7.987734795 10.995699883 7.621343136
+ 449 0 4 0.100000 9.584586143 10.726516724 8.392916679
+ 450 0 13 0.100000 8.048000336 8.987000465 8.880999565
+ 451 0 11 -0.500000 9.793000221 13.409999847 9.173000336
+ 452 0 2 0.280000 10.471553802 12.667460442 9.394585609
+ 453 0 3 0.120000 10.279999733 14.760000229 8.822999954
+ 454 0 4 0.100000 9.389740944 15.283022881 8.473735809
+ 455 0 5 0.380000 11.345999718 14.657999992 7.743000031
+ 456 0 6 -0.380000 11.970999718 13.583000183 7.552000046
+ 457 0 7 -0.100000 10.789999962 15.534999847 10.085000038
+ 458 0 4 0.100000 11.123229027 16.501873016 9.707884789
+ 459 0 12 -0.200000 12.059000015 14.803000450 10.670999527
+ 460 0 4 0.100000 11.743847847 13.842393875 11.078448296
+ 461 0 4 0.100000 12.756343842 14.617484093 9.854057312
+ 462 0 10 -0.300000 9.684000015 15.685999870 11.137999535
+ 463 0 4 0.100000 10.058896065 16.270494461 11.978191376
+ 464 0 4 0.100000 8.827452660 16.194667816 10.695638657
+ 465 0 4 0.100000 9.378940582 14.700247765 11.489184380
+ 466 0 10 -0.300000 12.732999802 15.675999641 11.781000137
+ 467 0 4 0.100000 12.021772385 15.850844383 12.588270187
+ 468 0 4 0.100000 13.606328964 15.155009270 12.173381805
+ 469 0 4 0.100000 13.041068077 16.631135941 11.355658531
+ 470 0 11 -0.500000 11.489999771 15.772999763 7.038000107
+ 471 0 2 0.280000 10.853153229 16.566915512 7.196191311
+ 472 0 3 0.120000 12.552000046 15.876999855 6.035999775
+ 473 0 4 0.100000 13.043725967 14.912866592 5.906565666
+ 474 0 5 0.380000 13.590000153 16.916999817 6.559999943
+ 475 0 6 -0.380000 13.168000221 18.006000519 6.945000172
+ 476 0 7 -0.100000 11.987000465 16.360000610 4.681000233
+ 477 0 4 0.100000 11.502662659 17.321004868 4.854168892
+ 478 0 12 -0.200000 10.913999557 15.338000298 4.163000107
+ 479 0 4 0.100000 11.380437851 14.426782608 3.788544178
+ 480 0 4 0.100000 10.170696259 15.118617058 4.929467201
+ 481 0 10 -0.300000 13.130999565 16.517000198 3.628999949
+ 482 0 4 0.100000 12.714348793 16.881505966 2.690041304
+ 483 0 4 0.100000 13.869889259 17.228136063 3.998366594
+ 484 0 4 0.100000 13.608166695 15.551076889 3.463472128
+ 485 0 10 -0.300000 10.151000023 16.024000168 2.937999964
+ 486 0 4 0.100000 10.865941048 16.258329391 2.149300337
+ 487 0 4 0.100000 9.395269394 15.340338707 2.551244020
+ 488 0 4 0.100000 9.670580864 16.941936493 3.276658058
+ 489 0 11 -0.500000 14.855999947 16.493000031 6.535999775
+ 490 0 2 0.280000 15.087069511 15.531770706 6.246958256
+ 491 0 3 0.120000 15.930000305 17.454000473 6.940999985
+ 492 0 4 0.100000 15.448633194 18.412040710 7.137327194
+ 493 0 5 0.380000 16.913000107 17.549999237 5.818999767
+ 494 0 6 -0.380000 17.097000122 16.659999847 4.969999790
+ 495 0 7 -0.100000 16.621999741 16.995000839 8.284999847
+ 496 0 4 0.100000 17.372821808 17.751832962 8.512095451
+ 497 0 12 -0.200000 17.360000610 15.651000023 8.067000389
+ 498 0 4 0.100000 16.597890854 14.882443428 7.938127518
+ 499 0 4 0.100000 17.962522507 15.757192612 7.164896488
+ 500 0 10 -0.300000 15.592000008 16.974000931 9.434000015
+ 501 0 4 0.100000 16.095645905 16.731447220 10.369737625
+ 502 0 4 0.100000 15.121275902 17.953468323 9.518616676
+ 503 0 4 0.100000 14.830537796 16.222230911 9.226348877
+ 504 0 10 -0.300000 18.298000336 15.206000328 9.218999863
+ 505 0 4 0.100000 17.719526291 15.091951370 10.135765076
+ 506 0 4 0.100000 18.762899399 14.254055977 8.962544441
+ 507 0 4 0.100000 19.071800232 15.958778381 9.369535446
+ 508 0 11 -0.420000 17.663999557 18.669000626 5.806000233
+ 509 0 3 0.060000 18.635000229 18.861000061 4.737999916
+ 510 0 4 0.100000 18.191711426 18.625682831 3.770414352
+ 511 0 12 0.060000 17.371000290 19.899999619 6.596000195
+ 512 0 4 0.100000 17.637220383 19.770334244 7.645006180
+ 513 0 4 0.100000 16.312007904 20.154773712 6.554459572
+ 514 0 5 0.380000 19.924999237 18.041999817 4.948999882
+ 515 0 6 -0.380000 20.593000412 17.742000580 3.944999933
+ 516 0 12 -0.200000 18.944999695 20.364000320 4.782999992
+ 517 0 4 0.100000 20.011636734 20.533958435 4.929625034
+ 518 0 4 0.100000 18.596609116 20.857370377 3.875635624
+ 519 0 12 -0.200000 18.238000870 20.937000275 5.907999992
+ 520 0 4 0.100000 18.980670929 21.346309662 6.592840672
+ 521 0 4 0.100000 17.637973785 21.766929626 5.534794807
+ 522 0 11 -0.500000 20.172000885 17.729999542 6.217000008
+ 523 0 2 0.280000 19.520402908 17.994186401 6.969678879
+ 524 0 17 0.020000 21.451999664 16.968999863 6.513000011
+ 525 0 4 0.100000 22.220170975 17.196077347 5.773777485
+ 526 0 4 0.100000 21.806970596 17.180898666 7.521560192
+ 527 0 5 0.380000 21.142999649 15.477999687 6.427000046
+ 528 0 6 -0.380000 20.138000488 15.022999763 5.877999783
+ 529 0 11 -0.500000 22.055000305 14.701000214 7.032000065
+ 530 0 2 0.280000 22.826601028 15.162067413 7.534940720
+ 531 0 3 0.120000 22.018999100 13.241999626 7.019999981
+ 532 0 4 0.100000 21.118928909 12.994981766 6.457010269
+ 533 0 5 0.380000 21.944000244 12.628000259 8.395999908
+ 534 0 6 -0.380000 21.868999481 11.387000084 8.435000420
+ 535 0 10 -0.300000 23.246000290 12.696999550 6.275000095
+ 536 0 4 0.100000 23.164216995 11.613998413 6.182674408
+ 537 0 4 0.100000 23.296331406 13.143034935 5.281710148
+ 538 0 4 0.100000 24.149721146 12.946521759 6.830985546
+ 539 0 11 -0.500000 21.893999100 13.435000420 9.435999870
+ 540 0 2 0.280000 21.824220657 14.451409340 9.284524918
+ 541 0 3 0.120000 21.936000824 12.911000252 10.809000015
+ 542 0 4 0.100000 22.114582062 11.836632729 10.764920235
+ 543 0 5 0.380000 20.614999771 13.190999985 11.520999908
+ 544 0 6 -0.380000 20.357000351 14.317000389 11.947999954
+ 545 0 7 -0.070000 23.131000519 13.600999832 11.593000412
+ 546 0 4 0.100000 22.981323242 14.676721573 11.685302734
+ 547 0 8 -0.380000 24.284000397 13.401000023 10.708999634
+ 548 0 9 0.350000 24.421899796 14.240586281 10.128500938
+ 549 0 10 -0.300000 23.340000153 12.935000420 12.961999893
+ 550 0 4 0.100000 24.219049454 13.362584114 13.444229126
+ 551 0 4 0.100000 22.463815689 13.106077194 13.587406158
+ 552 0 4 0.100000 23.485591888 11.863260269 12.826802254
+ 553 0 11 -0.500000 19.826999664 12.109999657 11.642000198
+ 554 0 2 0.280000 20.122940063 11.185415268 11.297814369
+ 555 0 3 0.120000 18.503999710 12.312000275 12.298000336
+ 556 0 4 0.100000 18.057098389 13.220839500 11.895023346
+ 557 0 5 0.380000 18.684000015 12.451000214 13.784000397
+ 558 0 6 -0.380000 19.533000946 11.718000412 14.362000465
+ 559 0 12 -0.300000 17.582000732 11.116999626 11.996000290
+ 560 0 4 0.100000 18.086227417 10.251184464 12.425209045
+ 561 0 4 0.100000 16.700305939 11.271791458 12.617895126
+ 562 0 13 0.100000 17.198999405 10.928999901 10.237000465
+ 563 0 11 -0.420000 17.879999161 13.265999794 14.425999641
+ 564 0 3 0.060000 17.923999786 13.420999527 15.876999855
+ 565 0 4 0.100000 18.941534042 13.662834167 16.183986664
+ 566 0 12 0.060000 16.858999252 14.149999619 13.779000282
+ 567 0 4 0.100000 16.215919495 13.587250710 13.102345467
+ 568 0 4 0.100000 17.329374313 14.943244934 13.197958946
+ 569 0 5 0.380000 17.392000198 12.206000328 16.593999863
+ 570 0 6 -0.380000 16.652000427 11.368000031 16.033000946
+ 571 0 12 -0.200000 17.076000214 14.657999992 16.145000458
+ 572 0 4 0.100000 16.444255829 14.584781647 17.030233383
+ 573 0 4 0.100000 17.617696762 15.599854469 16.057970047
+ 574 0 12 -0.200000 16.097999573 14.689000130 14.996999741
+ 575 0 4 0.100000 15.253420830 14.016077042 15.145191193
+ 576 0 4 0.100000 15.789084435 15.700772285 14.734343529
+ 577 0 11 -0.500000 17.728000641 12.123999596 17.884000778
+ 578 0 2 0.280000 18.268247604 12.885299683 18.319267273
+ 579 0 17 0.020000 17.333999634 10.956000328 18.690999985
+ 580 0 4 0.100000 17.766984940 10.084270477 18.200376511
+ 581 0 4 0.100000 17.761390686 11.109748840 19.681858063
+ 582 0 5 0.380000 15.875000000 10.687999725 18.871000290
+ 583 0 6 -0.380000 15.434000015 9.550000191 19.166000366
+ 584 0 11 -0.500000 15.036000252 11.746999741 18.715000153
+ 585 0 2 0.280000 15.424054146 12.679033279 18.510971069
+ 586 0 3 0.120000 13.564000130 11.572999954 18.836000443
+ 587 0 4 0.100000 13.474464417 10.696401596 19.477605820
+ 588 0 5 0.380000 12.935999870 11.227000237 17.469999313
+ 589 0 6 -0.380000 11.720000267 11.039999962 17.427999496
+ 590 0 12 -0.200000 12.932999611 12.737000465 19.579999924
+ 591 0 4 0.100000 11.860553741 12.547567368 19.625556946
+ 592 0 4 0.100000 13.367670059 12.754883766 20.579420090
+ 593 0 5 0.380000 13.140000343 14.093999863 18.958000183
+ 594 0 6 -0.350000 14.109000206 14.303000450 18.211999893
+ 595 0 8 -0.380000 12.267000198 14.963000298 19.264999390
+ 596 0 9 0.350000 12.695192337 15.899699211 19.252908707
+ 597 0 11 -0.500000 13.725000381 11.173999786 16.424999237
+ 598 0 2 0.280000 14.713005066 11.441411018 16.540052414
+ 599 0 3 0.120000 13.256999969 10.744999886 15.081000328
+ 600 0 4 0.100000 12.264418602 10.301728249 15.160951614
+ 601 0 5 0.380000 14.274999619 9.687000275 14.612000465
+ 602 0 6 -0.380000 14.930000305 9.862000465 13.567999840
+ 603 0 12 -0.200000 13.199999809 11.913999557 14.071000099
+ 604 0 4 0.100000 14.121270180 12.493051529 14.134719849
+ 605 0 4 0.100000 13.091276169 11.516075134 13.062071800
+ 606 0 16 0.000000 12.000000000 12.819000244 14.399000168
+ 607 0 16 -0.100000 12.119000435 13.852999687 15.331999779
+ 608 0 4 0.100000 13.067806244 14.011770248 15.844503403
+ 609 0 16 -0.100000 10.774999619 12.616999626 13.762000084
+ 610 0 4 0.100000 10.673528671 11.813380241 13.032616615
+ 611 0 16 -0.100000 11.045000076 14.675000191 15.609999657
+ 612 0 4 0.100000 11.163392067 15.500525475 16.311847687
+ 613 0 16 -0.100000 9.675999641 13.432999611 14.048000336
+ 614 0 4 0.100000 8.726944923 13.273748398 13.536108017
+ 615 0 16 0.030000 9.802000046 14.456000328 14.996000290
+ 616 0 8 -0.380000 8.739999771 15.265000343 15.269000053
+ 617 0 9 0.350000 9.048466682 16.247716904 15.272980690
+ 618 0 11 -0.500000 14.342000008 8.640000343 15.421999931
+ 619 0 2 0.280000 13.638368607 8.505084991 16.162000656
+ 620 0 3 0.120000 15.444999695 7.666999817 15.246000290
+ 621 0 4 0.100000 16.332574844 8.216528893 14.932426453
+ 622 0 5 0.380000 15.170999527 6.532999992 14.279999733
+ 623 0 6 -0.380000 16.093000412 5.704999924 14.038999557
+ 624 0 10 -0.300000 15.680000305 7.098999977 16.681999207
+ 625 0 4 0.100000 16.535034180 6.423069000 16.670495987
+ 626 0 4 0.100000 15.876356125 7.920741558 17.370683670
+ 627 0 4 0.100000 14.792826653 6.556271553 17.008296967
+ 628 0 11 -0.500000 13.965999603 6.501999855 13.739000320
+ 629 0 2 0.280000 13.318986893 7.281283855 13.926057816
+ 630 0 3 0.120000 13.512000084 5.394999981 12.878000259
+ 631 0 4 0.100000 14.292015076 4.641647816 12.988171577
+ 632 0 18 0.140000 13.310999870 5.853000164 11.454999924
+ 633 0 19 -0.570000 13.732999802 6.928999901 11.026000023
+ 634 0 19 -0.570000 12.703000069 4.973000050 10.746000290
+ 635 0 12 -0.200000 12.265999794 4.769000053 13.501000404
+ 636 0 4 0.100000 11.471806526 5.515164375 13.476576805
+ 637 0 4 0.100000 11.959742546 3.937092304 12.866779327
+ 638 0 5 0.380000 12.538000107 4.303999901 14.921999931
+ 639 0 6 -0.380000 11.982000351 4.848999977 15.885999680
+ 640 0 15 -0.560000 13.406999588 3.298000097 15.015000343
+ 641 0 2 0.280000 13.826193810 2.899175167 14.162875175
+ 642 0 2 0.280000 13.659525871 2.919377804 15.938999176
+
+Bonds
+
+ 1 1 1 5
+ 2 2 1 3
+ 3 2 1 4
+ 4 2 1 2
+ 5 3 5 7
+ 6 4 5 9
+ 7 5 5 6
+ 8 6 7 8
+ 9 7 7 17
+ 10 8 9 13
+ 11 9 9 11
+ 12 10 10 9
+ 13 11 11 12
+ 14 12 14 13
+ 15 12 15 13
+ 16 12 16 13
+ 17 13 19 17
+ 18 14 18 17
+ 19 3 19 21
+ 20 4 19 23
+ 21 5 19 20
+ 22 6 21 22
+ 23 7 21 31
+ 24 8 23 27
+ 25 9 23 25
+ 26 10 24 23
+ 27 11 25 26
+ 28 12 28 27
+ 29 12 29 27
+ 30 12 30 27
+ 31 13 33 31
+ 32 14 32 31
+ 33 3 33 35
+ 34 15 33 37
+ 35 5 33 34
+ 36 6 35 36
+ 37 7 35 41
+ 38 16 37 40
+ 39 17 38 37
+ 40 17 39 37
+ 41 18 40 562
+ 42 13 43 41
+ 43 14 42 41
+ 44 3 43 45
+ 45 15 43 47
+ 46 5 43 44
+ 47 6 45 46
+ 48 7 45 51
+ 49 16 47 50
+ 50 17 48 47
+ 51 17 49 47
+ 52 18 50 450
+ 53 13 52 51
+ 54 19 51 54
+ 55 3 52 57
+ 56 15 52 59
+ 57 5 52 53
+ 58 20 54 62
+ 59 17 55 54
+ 60 17 56 54
+ 61 6 57 58
+ 62 7 57 65
+ 63 20 59 62
+ 64 17 60 59
+ 65 17 61 59
+ 66 17 63 62
+ 67 17 64 62
+ 68 13 67 65
+ 69 14 66 65
+ 70 3 67 69
+ 71 15 67 71
+ 72 5 67 68
+ 73 6 69 70
+ 74 7 69 76
+ 75 21 74 71
+ 76 17 72 71
+ 77 17 73 71
+ 78 11 74 75
+ 79 13 78 76
+ 80 14 77 76
+ 81 3 78 80
+ 82 4 78 82
+ 83 5 78 79
+ 84 6 80 81
+ 85 7 80 95
+ 86 8 82 87
+ 87 22 82 84
+ 88 10 83 82
+ 89 23 91 84
+ 90 17 85 84
+ 91 17 86 84
+ 92 12 88 87
+ 93 12 89 87
+ 94 12 90 87
+ 95 12 92 91
+ 96 12 93 91
+ 97 12 94 91
+ 98 13 97 95
+ 99 14 96 95
+ 100 3 97 99
+ 101 4 97 101
+ 102 5 97 98
+ 103 6 99 100
+ 104 7 99 111
+ 105 8 101 103
+ 106 8 101 107
+ 107 10 102 101
+ 108 12 104 103
+ 109 12 105 103
+ 110 12 106 103
+ 111 12 108 107
+ 112 12 109 107
+ 113 12 110 107
+ 114 13 113 111
+ 115 14 112 111
+ 116 3 113 115
+ 117 24 113 117
+ 118 5 113 114
+ 119 6 115 116
+ 120 7 115 121
+ 121 12 118 117
+ 122 12 119 117
+ 123 12 120 117
+ 124 13 123 121
+ 125 14 122 121
+ 126 3 123 125
+ 127 15 123 127
+ 128 5 123 124
+ 129 6 125 126
+ 130 7 125 144
+ 131 20 127 130
+ 132 17 128 127
+ 133 17 129 127
+ 134 20 130 133
+ 135 17 131 130
+ 136 17 132 130
+ 137 19 136 133
+ 138 17 134 133
+ 139 17 135 133
+ 140 25 136 137
+ 141 26 137 138
+ 142 26 137 141
+ 143 27 139 138
+ 144 27 140 138
+ 145 27 142 141
+ 146 27 143 141
+ 147 13 146 144
+ 148 14 145 144
+ 149 3 146 148
+ 150 15 146 150
+ 151 5 146 147
+ 152 6 148 149
+ 153 7 148 155
+ 154 21 153 150
+ 155 17 151 150
+ 156 17 152 150
+ 157 11 153 154
+ 158 13 157 155
+ 159 14 156 155
+ 160 3 157 159
+ 161 15 157 161
+ 162 5 157 158
+ 163 6 159 160
+ 164 7 159 169
+ 165 28 164 161
+ 166 17 162 161
+ 167 17 163 161
+ 168 6 164 165
+ 169 29 164 166
+ 170 27 167 166
+ 171 27 168 166
+ 172 13 171 169
+ 173 14 170 169
+ 174 3 171 173
+ 175 15 171 175
+ 176 5 171 172
+ 177 6 173 174
+ 178 7 173 189
+ 179 30 175 178
+ 180 17 176 175
+ 181 17 177 175
+ 182 31 178 179
+ 183 31 178 181
+ 184 31 179 183
+ 185 32 180 179
+ 186 31 181 185
+ 187 32 182 181
+ 188 31 183 187
+ 189 32 184 183
+ 190 31 185 187
+ 191 32 186 185
+ 192 32 188 187
+ 193 13 191 189
+ 194 14 190 189
+ 195 3 191 193
+ 196 15 191 195
+ 197 5 191 192
+ 198 6 193 194
+ 199 7 193 203
+ 200 28 198 195
+ 201 17 196 195
+ 202 17 197 195
+ 203 6 198 199
+ 204 29 198 200
+ 205 27 201 200
+ 206 27 202 200
+ 207 13 205 203
+ 208 14 204 203
+ 209 3 205 207
+ 210 4 205 209
+ 211 5 205 206
+ 212 6 207 208
+ 213 7 207 219
+ 214 8 209 211
+ 215 8 209 215
+ 216 10 210 209
+ 217 12 212 211
+ 218 12 213 211
+ 219 12 214 211
+ 220 12 216 215
+ 221 12 217 215
+ 222 12 218 215
+ 223 13 221 219
+ 224 14 220 219
+ 225 3 221 223
+ 226 15 221 225
+ 227 5 221 222
+ 228 6 223 224
+ 229 7 223 229
+ 230 16 225 228
+ 231 17 226 225
+ 232 17 227 225
+ 233 18 228 374
+ 234 13 231 229
+ 235 14 230 229
+ 236 3 231 233
+ 237 15 231 235
+ 238 5 231 232
+ 239 6 233 234
+ 240 7 233 252
+ 241 20 235 238
+ 242 17 236 235
+ 243 17 237 235
+ 244 20 238 241
+ 245 17 239 238
+ 246 17 240 238
+ 247 19 244 241
+ 248 17 242 241
+ 249 17 243 241
+ 250 25 244 245
+ 251 26 245 246
+ 252 26 245 249
+ 253 27 247 246
+ 254 27 248 246
+ 255 27 250 249
+ 256 27 251 249
+ 257 13 254 252
+ 258 14 253 252
+ 259 3 254 256
+ 260 15 254 258
+ 261 5 254 255
+ 262 6 256 257
+ 263 7 256 271
+ 264 22 261 258
+ 265 17 259 258
+ 266 17 260 258
+ 267 8 261 263
+ 268 8 261 267
+ 269 10 262 261
+ 270 12 264 263
+ 271 12 265 263
+ 272 12 266 263
+ 273 12 268 267
+ 274 12 269 267
+ 275 12 270 267
+ 276 13 272 271
+ 277 19 271 274
+ 278 3 272 277
+ 279 15 272 279
+ 280 5 272 273
+ 281 20 274 282
+ 282 17 275 274
+ 283 17 276 274
+ 284 6 277 278
+ 285 7 277 285
+ 286 20 279 282
+ 287 17 280 279
+ 288 17 281 279
+ 289 17 283 282
+ 290 17 284 282
+ 291 33 285 287
+ 292 14 286 285
+ 293 34 290 287
+ 294 35 288 287
+ 295 35 289 287
+ 296 6 290 291
+ 297 7 290 292
+ 298 13 294 292
+ 299 14 293 292
+ 300 3 294 296
+ 301 4 294 298
+ 302 5 294 295
+ 303 6 296 297
+ 304 7 296 306
+ 305 8 298 302
+ 306 9 298 300
+ 307 10 299 298
+ 308 11 300 301
+ 309 12 303 302
+ 310 12 304 302
+ 311 12 305 302
+ 312 13 307 306
+ 313 19 306 309
+ 314 3 307 312
+ 315 15 307 314
+ 316 5 307 308
+ 317 20 309 317
+ 318 17 310 309
+ 319 17 311 309
+ 320 6 312 313
+ 321 7 312 320
+ 322 20 314 317
+ 323 17 315 314
+ 324 17 316 314
+ 325 17 318 317
+ 326 17 319 317
+ 327 13 322 320
+ 328 14 321 320
+ 329 3 322 324
+ 330 15 322 326
+ 331 5 322 323
+ 332 6 324 325
+ 333 7 324 336
+ 334 20 326 329
+ 335 17 327 326
+ 336 17 328 326
+ 337 28 332 329
+ 338 17 330 329
+ 339 17 331 329
+ 340 6 332 333
+ 341 36 332 334
+ 342 11 334 335
+ 343 13 338 336
+ 344 14 337 336
+ 345 3 338 340
+ 346 24 338 342
+ 347 5 338 339
+ 348 6 340 341
+ 349 7 340 346
+ 350 12 343 342
+ 351 12 344 342
+ 352 12 345 342
+ 353 13 348 346
+ 354 14 347 346
+ 355 3 348 350
+ 356 4 348 352
+ 357 5 348 349
+ 358 6 350 351
+ 359 7 350 365
+ 360 8 352 357
+ 361 22 352 354
+ 362 10 353 352
+ 363 23 361 354
+ 364 17 355 354
+ 365 17 356 354
+ 366 12 358 357
+ 367 12 359 357
+ 368 12 360 357
+ 369 12 362 361
+ 370 12 363 361
+ 371 12 364 361
+ 372 13 367 365
+ 373 14 366 365
+ 374 3 367 369
+ 375 15 367 371
+ 376 5 367 368
+ 377 6 369 370
+ 378 7 369 375
+ 379 16 371 374
+ 380 17 372 371
+ 381 17 373 371
+ 382 13 377 375
+ 383 14 376 375
+ 384 3 377 379
+ 385 24 377 381
+ 386 5 377 378
+ 387 6 379 380
+ 388 7 379 385
+ 389 12 382 381
+ 390 12 383 381
+ 391 12 384 381
+ 392 13 387 385
+ 393 14 386 385
+ 394 3 387 389
+ 395 4 387 391
+ 396 5 387 388
+ 397 6 389 390
+ 398 7 389 399
+ 399 8 391 395
+ 400 9 391 393
+ 401 10 392 391
+ 402 11 393 394
+ 403 12 396 395
+ 404 12 397 395
+ 405 12 398 395
+ 406 13 401 399
+ 407 14 400 399
+ 408 3 401 403
+ 409 15 401 405
+ 410 5 401 402
+ 411 6 403 404
+ 412 7 403 420
+ 413 30 405 408
+ 414 17 406 405
+ 415 17 407 405
+ 416 31 408 409
+ 417 31 408 411
+ 418 31 409 413
+ 419 32 410 409
+ 420 31 411 415
+ 421 32 412 411
+ 422 31 413 417
+ 423 32 414 413
+ 424 31 415 417
+ 425 32 416 415
+ 426 37 418 417
+ 427 11 418 419
+ 428 13 422 420
+ 429 14 421 420
+ 430 3 422 424
+ 431 4 422 426
+ 432 5 422 423
+ 433 6 424 425
+ 434 7 424 434
+ 435 8 426 430
+ 436 9 426 428
+ 437 10 427 426
+ 438 11 428 429
+ 439 12 431 430
+ 440 12 432 430
+ 441 12 433 430
+ 442 33 434 436
+ 443 14 435 434
+ 444 34 439 436
+ 445 35 437 436
+ 446 35 438 436
+ 447 6 439 440
+ 448 7 439 441
+ 449 13 443 441
+ 450 14 442 441
+ 451 3 443 445
+ 452 15 443 447
+ 453 5 443 444
+ 454 6 445 446
+ 455 7 445 451
+ 456 16 447 450
+ 457 17 448 447
+ 458 17 449 447
+ 459 13 453 451
+ 460 14 452 451
+ 461 3 453 455
+ 462 4 453 457
+ 463 5 453 454
+ 464 6 455 456
+ 465 7 455 470
+ 466 8 457 462
+ 467 22 457 459
+ 468 10 458 457
+ 469 23 466 459
+ 470 17 460 459
+ 471 17 461 459
+ 472 12 463 462
+ 473 12 464 462
+ 474 12 465 462
+ 475 12 467 466
+ 476 12 468 466
+ 477 12 469 466
+ 478 13 472 470
+ 479 14 471 470
+ 480 3 472 474
+ 481 4 472 476
+ 482 5 472 473
+ 483 6 474 475
+ 484 7 474 489
+ 485 8 476 481
+ 486 22 476 478
+ 487 10 477 476
+ 488 23 485 478
+ 489 17 479 478
+ 490 17 480 478
+ 491 12 482 481
+ 492 12 483 481
+ 493 12 484 481
+ 494 12 486 485
+ 495 12 487 485
+ 496 12 488 485
+ 497 13 491 489
+ 498 14 490 489
+ 499 3 491 493
+ 500 4 491 495
+ 501 5 491 492
+ 502 6 493 494
+ 503 7 493 508
+ 504 8 495 500
+ 505 22 495 497
+ 506 10 496 495
+ 507 23 504 497
+ 508 17 498 497
+ 509 17 499 497
+ 510 12 501 500
+ 511 12 502 500
+ 512 12 503 500
+ 513 12 505 504
+ 514 12 506 504
+ 515 12 507 504
+ 516 13 509 508
+ 517 19 508 511
+ 518 3 509 514
+ 519 15 509 516
+ 520 5 509 510
+ 521 20 511 519
+ 522 17 512 511
+ 523 17 513 511
+ 524 6 514 515
+ 525 7 514 522
+ 526 20 516 519
+ 527 17 517 516
+ 528 17 518 516
+ 529 17 520 519
+ 530 17 521 519
+ 531 33 522 524
+ 532 14 523 522
+ 533 34 527 524
+ 534 35 525 524
+ 535 35 526 524
+ 536 6 527 528
+ 537 7 527 529
+ 538 13 531 529
+ 539 14 530 529
+ 540 3 531 533
+ 541 24 531 535
+ 542 5 531 532
+ 543 6 533 534
+ 544 7 533 539
+ 545 12 536 535
+ 546 12 537 535
+ 547 12 538 535
+ 548 13 541 539
+ 549 14 540 539
+ 550 3 541 543
+ 551 4 541 545
+ 552 5 541 542
+ 553 6 543 544
+ 554 7 543 553
+ 555 8 545 549
+ 556 9 545 547
+ 557 10 546 545
+ 558 11 547 548
+ 559 12 550 549
+ 560 12 551 549
+ 561 12 552 549
+ 562 13 555 553
+ 563 14 554 553
+ 564 3 555 557
+ 565 15 555 559
+ 566 5 555 556
+ 567 6 557 558
+ 568 7 557 563
+ 569 16 559 562
+ 570 17 560 559
+ 571 17 561 559
+ 572 13 564 563
+ 573 19 563 566
+ 574 3 564 569
+ 575 15 564 571
+ 576 5 564 565
+ 577 20 566 574
+ 578 17 567 566
+ 579 17 568 566
+ 580 6 569 570
+ 581 7 569 577
+ 582 20 571 574
+ 583 17 572 571
+ 584 17 573 571
+ 585 17 575 574
+ 586 17 576 574
+ 587 33 577 579
+ 588 14 578 577
+ 589 34 582 579
+ 590 35 580 579
+ 591 35 581 579
+ 592 6 582 583
+ 593 7 582 584
+ 594 13 586 584
+ 595 14 585 584
+ 596 3 586 588
+ 597 15 586 590
+ 598 5 586 587
+ 599 6 588 589
+ 600 7 588 597
+ 601 28 593 590
+ 602 17 591 590
+ 603 17 592 590
+ 604 6 593 594
+ 605 36 593 595
+ 606 11 595 596
+ 607 13 599 597
+ 608 14 598 597
+ 609 3 599 601
+ 610 15 599 603
+ 611 5 599 600
+ 612 6 601 602
+ 613 7 601 618
+ 614 30 603 606
+ 615 17 604 603
+ 616 17 605 603
+ 617 31 606 607
+ 618 31 606 609
+ 619 31 607 611
+ 620 32 608 607
+ 621 31 609 613
+ 622 32 610 609
+ 623 31 611 615
+ 624 32 612 611
+ 625 31 613 615
+ 626 32 614 613
+ 627 37 616 615
+ 628 11 616 617
+ 629 13 620 618
+ 630 14 619 618
+ 631 3 620 622
+ 632 24 620 624
+ 633 5 620 621
+ 634 6 622 623
+ 635 7 622 628
+ 636 12 625 624
+ 637 12 626 624
+ 638 12 627 624
+ 639 13 630 628
+ 640 14 629 628
+ 641 38 630 632
+ 642 15 630 635
+ 643 5 630 631
+ 644 39 632 633
+ 645 39 632 634
+ 646 28 638 635
+ 647 17 636 635
+ 648 17 637 635
+ 649 6 638 639
+ 650 29 638 640
+ 651 27 641 640
+ 652 27 642 640
+
+Angles
+
+ 1 1 3 1 5
+ 2 1 4 1 5
+ 3 1 2 1 5
+ 4 2 3 1 4
+ 5 2 3 1 2
+ 6 2 4 1 2
+ 7 3 7 5 9
+ 8 4 1 5 7
+ 9 5 6 5 7
+ 10 6 1 5 9
+ 11 7 6 5 9
+ 12 8 1 5 6
+ 13 9 5 7 8
+ 14 10 8 7 17
+ 15 11 5 7 17
+ 16 12 11 9 13
+ 17 13 5 9 13
+ 18 14 10 9 13
+ 19 15 5 9 11
+ 20 16 10 9 11
+ 21 17 5 9 10
+ 22 18 9 11 12
+ 23 19 14 13 9
+ 24 19 15 13 9
+ 25 19 16 13 9
+ 26 20 14 13 15
+ 27 20 14 13 16
+ 28 20 15 13 16
+ 29 21 19 17 7
+ 30 22 18 17 19
+ 31 23 18 17 7
+ 32 3 21 19 23
+ 33 24 21 19 17
+ 34 5 20 19 21
+ 35 25 23 19 17
+ 36 7 20 19 23
+ 37 26 20 19 17
+ 38 9 19 21 22
+ 39 10 22 21 31
+ 40 11 19 21 31
+ 41 12 25 23 27
+ 42 13 19 23 27
+ 43 14 24 23 27
+ 44 15 19 23 25
+ 45 16 24 23 25
+ 46 17 19 23 24
+ 47 18 23 25 26
+ 48 19 28 27 23
+ 49 19 29 27 23
+ 50 19 30 27 23
+ 51 20 28 27 29
+ 52 20 28 27 30
+ 53 20 29 27 30
+ 54 21 33 31 21
+ 55 22 32 31 33
+ 56 23 32 31 21
+ 57 27 35 33 37
+ 58 24 35 33 31
+ 59 5 34 33 35
+ 60 28 31 33 37
+ 61 29 34 33 37
+ 62 26 34 33 31
+ 63 9 33 35 36
+ 64 10 36 35 41
+ 65 11 33 35 41
+ 66 30 33 37 40
+ 67 31 38 37 40
+ 68 31 39 37 40
+ 69 32 33 37 38
+ 70 32 33 37 39
+ 71 33 38 37 39
+ 72 34 37 40 562
+ 73 21 43 41 35
+ 74 22 42 41 43
+ 75 23 42 41 35
+ 76 27 45 43 47
+ 77 24 45 43 41
+ 78 5 44 43 45
+ 79 28 41 43 47
+ 80 29 44 43 47
+ 81 26 44 43 41
+ 82 9 43 45 46
+ 83 10 46 45 51
+ 84 11 43 45 51
+ 85 30 43 47 50
+ 86 31 48 47 50
+ 87 31 49 47 50
+ 88 32 43 47 48
+ 89 32 43 47 49
+ 90 33 48 47 49
+ 91 34 47 50 450
+ 92 35 52 51 54
+ 93 21 52 51 45
+ 94 36 45 51 54
+ 95 27 57 52 59
+ 96 24 57 52 51
+ 97 5 53 52 57
+ 98 28 51 52 59
+ 99 29 53 52 59
+ 100 26 53 52 51
+ 101 37 51 54 62
+ 102 38 55 54 51
+ 103 38 56 54 51
+ 104 39 55 54 62
+ 105 39 56 54 62
+ 106 33 55 54 56
+ 107 9 52 57 58
+ 108 10 58 57 65
+ 109 11 52 57 65
+ 110 40 52 59 62
+ 111 39 60 59 62
+ 112 39 61 59 62
+ 113 32 52 59 60
+ 114 32 52 59 61
+ 115 33 60 59 61
+ 116 41 54 62 59
+ 117 39 63 62 54
+ 118 39 64 62 54
+ 119 39 63 62 59
+ 120 39 64 62 59
+ 121 33 63 62 64
+ 122 21 67 65 57
+ 123 22 66 65 67
+ 124 23 66 65 57
+ 125 27 69 67 71
+ 126 24 69 67 65
+ 127 5 68 67 69
+ 128 28 65 67 71
+ 129 29 68 67 71
+ 130 26 68 67 65
+ 131 9 67 69 70
+ 132 10 70 69 76
+ 133 11 67 69 76
+ 134 42 67 71 74
+ 135 43 72 71 74
+ 136 43 73 71 74
+ 137 32 67 71 72
+ 138 32 67 71 73
+ 139 33 72 71 73
+ 140 44 75 74 71
+ 141 21 78 76 69
+ 142 22 77 76 78
+ 143 23 77 76 69
+ 144 3 80 78 82
+ 145 24 80 78 76
+ 146 5 79 78 80
+ 147 25 82 78 76
+ 148 7 79 78 82
+ 149 26 79 78 76
+ 150 9 78 80 81
+ 151 10 81 80 95
+ 152 11 78 80 95
+ 153 45 87 82 84
+ 154 13 78 82 87
+ 155 14 83 82 87
+ 156 46 78 82 84
+ 157 47 83 82 84
+ 158 17 78 82 83
+ 159 48 82 84 91
+ 160 49 85 84 91
+ 161 49 86 84 91
+ 162 50 85 84 82
+ 163 50 86 84 82
+ 164 33 85 84 86
+ 165 19 88 87 82
+ 166 19 89 87 82
+ 167 19 90 87 82
+ 168 20 88 87 89
+ 169 20 88 87 90
+ 170 20 89 87 90
+ 171 51 92 91 84
+ 172 51 93 91 84
+ 173 51 94 91 84
+ 174 20 92 91 93
+ 175 20 92 91 94
+ 176 20 93 91 94
+ 177 21 97 95 80
+ 178 22 96 95 97
+ 179 23 96 95 80
+ 180 3 99 97 101
+ 181 24 99 97 95
+ 182 5 98 97 99
+ 183 25 101 97 95
+ 184 7 98 97 101
+ 185 26 98 97 95
+ 186 9 97 99 100
+ 187 10 100 99 111
+ 188 11 97 99 111
+ 189 52 103 101 107
+ 190 13 97 101 103
+ 191 14 102 101 103
+ 192 13 97 101 107
+ 193 14 102 101 107
+ 194 17 97 101 102
+ 195 19 104 103 101
+ 196 19 105 103 101
+ 197 19 106 103 101
+ 198 20 104 103 105
+ 199 20 104 103 106
+ 200 20 105 103 106
+ 201 19 108 107 101
+ 202 19 109 107 101
+ 203 19 110 107 101
+ 204 20 108 107 109
+ 205 20 108 107 110
+ 206 20 109 107 110
+ 207 21 113 111 99
+ 208 22 112 111 113
+ 209 23 112 111 99
+ 210 53 115 113 117
+ 211 24 115 113 111
+ 212 5 114 113 115
+ 213 54 117 113 111
+ 214 55 114 113 117
+ 215 26 114 113 111
+ 216 9 113 115 116
+ 217 10 116 115 121
+ 218 11 113 115 121
+ 219 56 113 117 118
+ 220 56 113 117 119
+ 221 56 113 117 120
+ 222 20 118 117 119
+ 223 20 118 117 120
+ 224 20 119 117 120
+ 225 21 123 121 115
+ 226 22 122 121 123
+ 227 23 122 121 115
+ 228 27 125 123 127
+ 229 24 125 123 121
+ 230 5 124 123 125
+ 231 28 121 123 127
+ 232 29 124 123 127
+ 233 26 124 123 121
+ 234 9 123 125 126
+ 235 10 126 125 144
+ 236 11 123 125 144
+ 237 40 123 127 130
+ 238 39 128 127 130
+ 239 39 129 127 130
+ 240 32 123 127 128
+ 241 32 123 127 129
+ 242 33 128 127 129
+ 243 41 133 130 127
+ 244 39 131 130 133
+ 245 39 132 130 133
+ 246 39 131 130 127
+ 247 39 132 130 127
+ 248 33 131 130 132
+ 249 37 136 133 130
+ 250 38 134 133 136
+ 251 38 135 133 136
+ 252 39 134 133 130
+ 253 39 135 133 130
+ 254 33 134 133 135
+ 255 57 133 136 137
+ 256 58 138 137 141
+ 257 59 136 137 138
+ 258 59 136 137 141
+ 259 60 139 138 137
+ 260 60 140 138 137
+ 261 61 139 138 140
+ 262 60 142 141 137
+ 263 60 143 141 137
+ 264 61 142 141 143
+ 265 21 146 144 125
+ 266 22 145 144 146
+ 267 23 145 144 125
+ 268 27 148 146 150
+ 269 24 148 146 144
+ 270 5 147 146 148
+ 271 28 144 146 150
+ 272 29 147 146 150
+ 273 26 147 146 144
+ 274 9 146 148 149
+ 275 10 149 148 155
+ 276 11 146 148 155
+ 277 42 146 150 153
+ 278 43 151 150 153
+ 279 43 152 150 153
+ 280 32 146 150 151
+ 281 32 146 150 152
+ 282 33 151 150 152
+ 283 44 154 153 150
+ 284 21 157 155 148
+ 285 22 156 155 157
+ 286 23 156 155 148
+ 287 27 159 157 161
+ 288 24 159 157 155
+ 289 5 158 157 159
+ 290 28 155 157 161
+ 291 29 158 157 161
+ 292 26 158 157 155
+ 293 9 157 159 160
+ 294 10 160 159 169
+ 295 11 157 159 169
+ 296 62 157 161 164
+ 297 63 162 161 164
+ 298 63 163 161 164
+ 299 32 157 161 162
+ 300 32 157 161 163
+ 301 33 162 161 163
+ 302 64 165 164 166
+ 303 65 165 164 161
+ 304 66 161 164 166
+ 305 67 167 166 164
+ 306 67 168 166 164
+ 307 61 167 166 168
+ 308 21 171 169 159
+ 309 22 170 169 171
+ 310 23 170 169 159
+ 311 27 173 171 175
+ 312 24 173 171 169
+ 313 5 172 171 173
+ 314 28 169 171 175
+ 315 29 172 171 175
+ 316 26 172 171 169
+ 317 9 171 173 174
+ 318 10 174 173 189
+ 319 11 171 173 189
+ 320 68 171 175 178
+ 321 69 176 175 178
+ 322 69 177 175 178
+ 323 32 171 175 176
+ 324 32 171 175 177
+ 325 33 176 175 177
+ 326 70 179 178 181
+ 327 71 175 178 179
+ 328 71 175 178 181
+ 329 70 183 179 178
+ 330 72 180 179 183
+ 331 72 180 179 178
+ 332 70 178 181 185
+ 333 72 182 181 178
+ 334 72 182 181 185
+ 335 70 187 183 179
+ 336 72 184 183 187
+ 337 72 184 183 179
+ 338 70 181 185 187
+ 339 72 186 185 181
+ 340 72 186 185 187
+ 341 70 185 187 183
+ 342 72 188 187 185
+ 343 72 188 187 183
+ 344 21 191 189 173
+ 345 22 190 189 191
+ 346 23 190 189 173
+ 347 27 193 191 195
+ 348 24 193 191 189
+ 349 5 192 191 193
+ 350 28 189 191 195
+ 351 29 192 191 195
+ 352 26 192 191 189
+ 353 9 191 193 194
+ 354 10 194 193 203
+ 355 11 191 193 203
+ 356 62 191 195 198
+ 357 63 196 195 198
+ 358 63 197 195 198
+ 359 32 191 195 196
+ 360 32 191 195 197
+ 361 33 196 195 197
+ 362 64 199 198 200
+ 363 65 199 198 195
+ 364 66 195 198 200
+ 365 67 201 200 198
+ 366 67 202 200 198
+ 367 61 201 200 202
+ 368 21 205 203 193
+ 369 22 204 203 205
+ 370 23 204 203 193
+ 371 3 207 205 209
+ 372 24 207 205 203
+ 373 5 206 205 207
+ 374 25 209 205 203
+ 375 7 206 205 209
+ 376 26 206 205 203
+ 377 9 205 207 208
+ 378 10 208 207 219
+ 379 11 205 207 219
+ 380 52 211 209 215
+ 381 13 205 209 211
+ 382 14 210 209 211
+ 383 13 205 209 215
+ 384 14 210 209 215
+ 385 17 205 209 210
+ 386 19 212 211 209
+ 387 19 213 211 209
+ 388 19 214 211 209
+ 389 20 212 211 213
+ 390 20 212 211 214
+ 391 20 213 211 214
+ 392 19 216 215 209
+ 393 19 217 215 209
+ 394 19 218 215 209
+ 395 20 216 215 217
+ 396 20 216 215 218
+ 397 20 217 215 218
+ 398 21 221 219 207
+ 399 22 220 219 221
+ 400 23 220 219 207
+ 401 27 223 221 225
+ 402 24 223 221 219
+ 403 5 222 221 223
+ 404 28 219 221 225
+ 405 29 222 221 225
+ 406 26 222 221 219
+ 407 9 221 223 224
+ 408 10 224 223 229
+ 409 11 221 223 229
+ 410 30 221 225 228
+ 411 31 226 225 228
+ 412 31 227 225 228
+ 413 32 221 225 226
+ 414 32 221 225 227
+ 415 33 226 225 227
+ 416 34 225 228 374
+ 417 21 231 229 223
+ 418 22 230 229 231
+ 419 23 230 229 223
+ 420 27 233 231 235
+ 421 24 233 231 229
+ 422 5 232 231 233
+ 423 28 229 231 235
+ 424 29 232 231 235
+ 425 26 232 231 229
+ 426 9 231 233 234
+ 427 10 234 233 252
+ 428 11 231 233 252
+ 429 40 231 235 238
+ 430 39 236 235 238
+ 431 39 237 235 238
+ 432 32 231 235 236
+ 433 32 231 235 237
+ 434 33 236 235 237
+ 435 41 241 238 235
+ 436 39 239 238 241
+ 437 39 240 238 241
+ 438 39 239 238 235
+ 439 39 240 238 235
+ 440 33 239 238 240
+ 441 37 244 241 238
+ 442 38 242 241 244
+ 443 38 243 241 244
+ 444 39 242 241 238
+ 445 39 243 241 238
+ 446 33 242 241 243
+ 447 57 241 244 245
+ 448 58 246 245 249
+ 449 59 244 245 246
+ 450 59 244 245 249
+ 451 60 247 246 245
+ 452 60 248 246 245
+ 453 61 247 246 248
+ 454 60 250 249 245
+ 455 60 251 249 245
+ 456 61 250 249 251
+ 457 21 254 252 233
+ 458 22 253 252 254
+ 459 23 253 252 233
+ 460 27 256 254 258
+ 461 24 256 254 252
+ 462 5 255 254 256
+ 463 28 252 254 258
+ 464 29 255 254 258
+ 465 26 255 254 252
+ 466 9 254 256 257
+ 467 10 257 256 271
+ 468 11 254 256 271
+ 469 73 254 258 261
+ 470 50 259 258 261
+ 471 50 260 258 261
+ 472 32 254 258 259
+ 473 32 254 258 260
+ 474 33 259 258 260
+ 475 52 263 261 267
+ 476 45 263 261 258
+ 477 14 262 261 263
+ 478 45 267 261 258
+ 479 14 262 261 267
+ 480 47 262 261 258
+ 481 19 264 263 261
+ 482 19 265 263 261
+ 483 19 266 263 261
+ 484 20 264 263 265
+ 485 20 264 263 266
+ 486 20 265 263 266
+ 487 19 268 267 261
+ 488 19 269 267 261
+ 489 19 270 267 261
+ 490 20 268 267 269
+ 491 20 268 267 270
+ 492 20 269 267 270
+ 493 35 272 271 274
+ 494 21 272 271 256
+ 495 36 256 271 274
+ 496 27 277 272 279
+ 497 24 277 272 271
+ 498 5 273 272 277
+ 499 28 271 272 279
+ 500 29 273 272 279
+ 501 26 273 272 271
+ 502 37 271 274 282
+ 503 38 275 274 271
+ 504 38 276 274 271
+ 505 39 275 274 282
+ 506 39 276 274 282
+ 507 33 275 274 276
+ 508 9 272 277 278
+ 509 10 278 277 285
+ 510 11 272 277 285
+ 511 40 272 279 282
+ 512 39 280 279 282
+ 513 39 281 279 282
+ 514 32 272 279 280
+ 515 32 272 279 281
+ 516 33 280 279 281
+ 517 41 274 282 279
+ 518 39 283 282 274
+ 519 39 284 282 274
+ 520 39 283 282 279
+ 521 39 284 282 279
+ 522 33 283 282 284
+ 523 74 277 285 287
+ 524 75 286 285 287
+ 525 23 286 285 277
+ 526 76 290 287 285
+ 527 77 288 287 290
+ 528 77 289 287 290
+ 529 78 288 287 285
+ 530 78 289 287 285
+ 531 79 288 287 289
+ 532 80 291 290 287
+ 533 10 291 290 292
+ 534 81 292 290 287
+ 535 21 294 292 290
+ 536 22 293 292 294
+ 537 23 293 292 290
+ 538 3 296 294 298
+ 539 24 296 294 292
+ 540 5 295 294 296
+ 541 25 298 294 292
+ 542 7 295 294 298
+ 543 26 295 294 292
+ 544 9 294 296 297
+ 545 10 297 296 306
+ 546 11 294 296 306
+ 547 12 300 298 302
+ 548 13 294 298 302
+ 549 14 299 298 302
+ 550 15 294 298 300
+ 551 16 299 298 300
+ 552 17 294 298 299
+ 553 18 298 300 301
+ 554 19 303 302 298
+ 555 19 304 302 298
+ 556 19 305 302 298
+ 557 20 303 302 304
+ 558 20 303 302 305
+ 559 20 304 302 305
+ 560 35 307 306 309
+ 561 21 307 306 296
+ 562 36 296 306 309
+ 563 27 312 307 314
+ 564 24 312 307 306
+ 565 5 308 307 312
+ 566 28 306 307 314
+ 567 29 308 307 314
+ 568 26 308 307 306
+ 569 37 306 309 317
+ 570 38 310 309 306
+ 571 38 311 309 306
+ 572 39 310 309 317
+ 573 39 311 309 317
+ 574 33 310 309 311
+ 575 9 307 312 313
+ 576 10 313 312 320
+ 577 11 307 312 320
+ 578 40 307 314 317
+ 579 39 315 314 317
+ 580 39 316 314 317
+ 581 32 307 314 315
+ 582 32 307 314 316
+ 583 33 315 314 316
+ 584 41 309 317 314
+ 585 39 318 317 309
+ 586 39 319 317 309
+ 587 39 318 317 314
+ 588 39 319 317 314
+ 589 33 318 317 319
+ 590 21 322 320 312
+ 591 22 321 320 322
+ 592 23 321 320 312
+ 593 27 324 322 326
+ 594 24 324 322 320
+ 595 5 323 322 324
+ 596 28 320 322 326
+ 597 29 323 322 326
+ 598 26 323 322 320
+ 599 9 322 324 325
+ 600 10 325 324 336
+ 601 11 322 324 336
+ 602 40 322 326 329
+ 603 39 327 326 329
+ 604 39 328 326 329
+ 605 32 322 326 327
+ 606 32 322 326 328
+ 607 33 327 326 328
+ 608 82 332 329 326
+ 609 63 330 329 332
+ 610 63 331 329 332
+ 611 39 330 329 326
+ 612 39 331 329 326
+ 613 33 330 329 331
+ 614 83 333 332 334
+ 615 65 333 332 329
+ 616 84 334 332 329
+ 617 85 332 334 335
+ 618 21 338 336 324
+ 619 22 337 336 338
+ 620 23 337 336 324
+ 621 53 340 338 342
+ 622 24 340 338 336
+ 623 5 339 338 340
+ 624 54 342 338 336
+ 625 55 339 338 342
+ 626 26 339 338 336
+ 627 9 338 340 341
+ 628 10 341 340 346
+ 629 11 338 340 346
+ 630 56 338 342 343
+ 631 56 338 342 344
+ 632 56 338 342 345
+ 633 20 343 342 344
+ 634 20 343 342 345
+ 635 20 344 342 345
+ 636 21 348 346 340
+ 637 22 347 346 348
+ 638 23 347 346 340
+ 639 3 350 348 352
+ 640 24 350 348 346
+ 641 5 349 348 350
+ 642 25 352 348 346
+ 643 7 349 348 352
+ 644 26 349 348 346
+ 645 9 348 350 351
+ 646 10 351 350 365
+ 647 11 348 350 365
+ 648 45 357 352 354
+ 649 13 348 352 357
+ 650 14 353 352 357
+ 651 46 348 352 354
+ 652 47 353 352 354
+ 653 17 348 352 353
+ 654 48 352 354 361
+ 655 49 355 354 361
+ 656 49 356 354 361
+ 657 50 355 354 352
+ 658 50 356 354 352
+ 659 33 355 354 356
+ 660 19 358 357 352
+ 661 19 359 357 352
+ 662 19 360 357 352
+ 663 20 358 357 359
+ 664 20 358 357 360
+ 665 20 359 357 360
+ 666 51 362 361 354
+ 667 51 363 361 354
+ 668 51 364 361 354
+ 669 20 362 361 363
+ 670 20 362 361 364
+ 671 20 363 361 364
+ 672 21 367 365 350
+ 673 22 366 365 367
+ 674 23 366 365 350
+ 675 27 369 367 371
+ 676 24 369 367 365
+ 677 5 368 367 369
+ 678 28 365 367 371
+ 679 29 368 367 371
+ 680 26 368 367 365
+ 681 9 367 369 370
+ 682 10 370 369 375
+ 683 11 367 369 375
+ 684 30 367 371 374
+ 685 31 372 371 374
+ 686 31 373 371 374
+ 687 32 367 371 372
+ 688 32 367 371 373
+ 689 33 372 371 373
+ 690 34 371 374 228
+ 691 21 377 375 369
+ 692 22 376 375 377
+ 693 23 376 375 369
+ 694 53 379 377 381
+ 695 24 379 377 375
+ 696 5 378 377 379
+ 697 54 381 377 375
+ 698 55 378 377 381
+ 699 26 378 377 375
+ 700 9 377 379 380
+ 701 10 380 379 385
+ 702 11 377 379 385
+ 703 56 377 381 382
+ 704 56 377 381 383
+ 705 56 377 381 384
+ 706 20 382 381 383
+ 707 20 382 381 384
+ 708 20 383 381 384
+ 709 21 387 385 379
+ 710 22 386 385 387
+ 711 23 386 385 379
+ 712 3 389 387 391
+ 713 24 389 387 385
+ 714 5 388 387 389
+ 715 25 391 387 385
+ 716 7 388 387 391
+ 717 26 388 387 385
+ 718 9 387 389 390
+ 719 10 390 389 399
+ 720 11 387 389 399
+ 721 12 393 391 395
+ 722 13 387 391 395
+ 723 14 392 391 395
+ 724 15 387 391 393
+ 725 16 392 391 393
+ 726 17 387 391 392
+ 727 18 391 393 394
+ 728 19 396 395 391
+ 729 19 397 395 391
+ 730 19 398 395 391
+ 731 20 396 395 397
+ 732 20 396 395 398
+ 733 20 397 395 398
+ 734 21 401 399 389
+ 735 22 400 399 401
+ 736 23 400 399 389
+ 737 27 403 401 405
+ 738 24 403 401 399
+ 739 5 402 401 403
+ 740 28 399 401 405
+ 741 29 402 401 405
+ 742 26 402 401 399
+ 743 9 401 403 404
+ 744 10 404 403 420
+ 745 11 401 403 420
+ 746 68 401 405 408
+ 747 69 406 405 408
+ 748 69 407 405 408
+ 749 32 401 405 406
+ 750 32 401 405 407
+ 751 33 406 405 407
+ 752 70 409 408 411
+ 753 71 405 408 409
+ 754 71 405 408 411
+ 755 70 413 409 408
+ 756 72 410 409 413
+ 757 72 410 409 408
+ 758 70 408 411 415
+ 759 72 412 411 408
+ 760 72 412 411 415
+ 761 70 417 413 409
+ 762 72 414 413 417
+ 763 72 414 413 409
+ 764 70 411 415 417
+ 765 72 416 415 411
+ 766 72 416 415 417
+ 767 86 418 417 415
+ 768 86 418 417 413
+ 769 70 415 417 413
+ 770 87 419 418 417
+ 771 21 422 420 403
+ 772 22 421 420 422
+ 773 23 421 420 403
+ 774 3 424 422 426
+ 775 24 424 422 420
+ 776 5 423 422 424
+ 777 25 426 422 420
+ 778 7 423 422 426
+ 779 26 423 422 420
+ 780 9 422 424 425
+ 781 10 425 424 434
+ 782 11 422 424 434
+ 783 12 428 426 430
+ 784 13 422 426 430
+ 785 14 427 426 430
+ 786 15 422 426 428
+ 787 16 427 426 428
+ 788 17 422 426 427
+ 789 18 426 428 429
+ 790 19 431 430 426
+ 791 19 432 430 426
+ 792 19 433 430 426
+ 793 20 431 430 432
+ 794 20 431 430 433
+ 795 20 432 430 433
+ 796 74 424 434 436
+ 797 75 435 434 436
+ 798 23 435 434 424
+ 799 76 439 436 434
+ 800 77 437 436 439
+ 801 77 438 436 439
+ 802 78 437 436 434
+ 803 78 438 436 434
+ 804 79 437 436 438
+ 805 80 440 439 436
+ 806 10 440 439 441
+ 807 81 441 439 436
+ 808 21 443 441 439
+ 809 22 442 441 443
+ 810 23 442 441 439
+ 811 27 445 443 447
+ 812 24 445 443 441
+ 813 5 444 443 445
+ 814 28 441 443 447
+ 815 29 444 443 447
+ 816 26 444 443 441
+ 817 9 443 445 446
+ 818 10 446 445 451
+ 819 11 443 445 451
+ 820 30 443 447 450
+ 821 31 448 447 450
+ 822 31 449 447 450
+ 823 32 443 447 448
+ 824 32 443 447 449
+ 825 33 448 447 449
+ 826 34 447 450 50
+ 827 21 453 451 445
+ 828 22 452 451 453
+ 829 23 452 451 445
+ 830 3 455 453 457
+ 831 24 455 453 451
+ 832 5 454 453 455
+ 833 25 457 453 451
+ 834 7 454 453 457
+ 835 26 454 453 451
+ 836 9 453 455 456
+ 837 10 456 455 470
+ 838 11 453 455 470
+ 839 45 462 457 459
+ 840 13 453 457 462
+ 841 14 458 457 462
+ 842 46 453 457 459
+ 843 47 458 457 459
+ 844 17 453 457 458
+ 845 48 457 459 466
+ 846 49 460 459 466
+ 847 49 461 459 466
+ 848 50 460 459 457
+ 849 50 461 459 457
+ 850 33 460 459 461
+ 851 19 463 462 457
+ 852 19 464 462 457
+ 853 19 465 462 457
+ 854 20 463 462 464
+ 855 20 463 462 465
+ 856 20 464 462 465
+ 857 51 467 466 459
+ 858 51 468 466 459
+ 859 51 469 466 459
+ 860 20 467 466 468
+ 861 20 467 466 469
+ 862 20 468 466 469
+ 863 21 472 470 455
+ 864 22 471 470 472
+ 865 23 471 470 455
+ 866 3 474 472 476
+ 867 24 474 472 470
+ 868 5 473 472 474
+ 869 25 476 472 470
+ 870 7 473 472 476
+ 871 26 473 472 470
+ 872 9 472 474 475
+ 873 10 475 474 489
+ 874 11 472 474 489
+ 875 45 481 476 478
+ 876 13 472 476 481
+ 877 14 477 476 481
+ 878 46 472 476 478
+ 879 47 477 476 478
+ 880 17 472 476 477
+ 881 48 476 478 485
+ 882 49 479 478 485
+ 883 49 480 478 485
+ 884 50 479 478 476
+ 885 50 480 478 476
+ 886 33 479 478 480
+ 887 19 482 481 476
+ 888 19 483 481 476
+ 889 19 484 481 476
+ 890 20 482 481 483
+ 891 20 482 481 484
+ 892 20 483 481 484
+ 893 51 486 485 478
+ 894 51 487 485 478
+ 895 51 488 485 478
+ 896 20 486 485 487
+ 897 20 486 485 488
+ 898 20 487 485 488
+ 899 21 491 489 474
+ 900 22 490 489 491
+ 901 23 490 489 474
+ 902 3 493 491 495
+ 903 24 493 491 489
+ 904 5 492 491 493
+ 905 25 495 491 489
+ 906 7 492 491 495
+ 907 26 492 491 489
+ 908 9 491 493 494
+ 909 10 494 493 508
+ 910 11 491 493 508
+ 911 45 500 495 497
+ 912 13 491 495 500
+ 913 14 496 495 500
+ 914 46 491 495 497
+ 915 47 496 495 497
+ 916 17 491 495 496
+ 917 48 495 497 504
+ 918 49 498 497 504
+ 919 49 499 497 504
+ 920 50 498 497 495
+ 921 50 499 497 495
+ 922 33 498 497 499
+ 923 19 501 500 495
+ 924 19 502 500 495
+ 925 19 503 500 495
+ 926 20 501 500 502
+ 927 20 501 500 503
+ 928 20 502 500 503
+ 929 51 505 504 497
+ 930 51 506 504 497
+ 931 51 507 504 497
+ 932 20 505 504 506
+ 933 20 505 504 507
+ 934 20 506 504 507
+ 935 35 509 508 511
+ 936 21 509 508 493
+ 937 36 493 508 511
+ 938 27 514 509 516
+ 939 24 514 509 508
+ 940 5 510 509 514
+ 941 28 508 509 516
+ 942 29 510 509 516
+ 943 26 510 509 508
+ 944 37 508 511 519
+ 945 38 512 511 508
+ 946 38 513 511 508
+ 947 39 512 511 519
+ 948 39 513 511 519
+ 949 33 512 511 513
+ 950 9 509 514 515
+ 951 10 515 514 522
+ 952 11 509 514 522
+ 953 40 509 516 519
+ 954 39 517 516 519
+ 955 39 518 516 519
+ 956 32 509 516 517
+ 957 32 509 516 518
+ 958 33 517 516 518
+ 959 41 511 519 516
+ 960 39 520 519 511
+ 961 39 521 519 511
+ 962 39 520 519 516
+ 963 39 521 519 516
+ 964 33 520 519 521
+ 965 74 514 522 524
+ 966 75 523 522 524
+ 967 23 523 522 514
+ 968 76 527 524 522
+ 969 77 525 524 527
+ 970 77 526 524 527
+ 971 78 525 524 522
+ 972 78 526 524 522
+ 973 79 525 524 526
+ 974 80 528 527 524
+ 975 10 528 527 529
+ 976 81 529 527 524
+ 977 21 531 529 527
+ 978 22 530 529 531
+ 979 23 530 529 527
+ 980 53 533 531 535
+ 981 24 533 531 529
+ 982 5 532 531 533
+ 983 54 535 531 529
+ 984 55 532 531 535
+ 985 26 532 531 529
+ 986 9 531 533 534
+ 987 10 534 533 539
+ 988 11 531 533 539
+ 989 56 531 535 536
+ 990 56 531 535 537
+ 991 56 531 535 538
+ 992 20 536 535 537
+ 993 20 536 535 538
+ 994 20 537 535 538
+ 995 21 541 539 533
+ 996 22 540 539 541
+ 997 23 540 539 533
+ 998 3 543 541 545
+ 999 24 543 541 539
+ 1000 5 542 541 543
+ 1001 25 545 541 539
+ 1002 7 542 541 545
+ 1003 26 542 541 539
+ 1004 9 541 543 544
+ 1005 10 544 543 553
+ 1006 11 541 543 553
+ 1007 12 547 545 549
+ 1008 13 541 545 549
+ 1009 14 546 545 549
+ 1010 15 541 545 547
+ 1011 16 546 545 547
+ 1012 17 541 545 546
+ 1013 18 545 547 548
+ 1014 19 550 549 545
+ 1015 19 551 549 545
+ 1016 19 552 549 545
+ 1017 20 550 549 551
+ 1018 20 550 549 552
+ 1019 20 551 549 552
+ 1020 21 555 553 543
+ 1021 22 554 553 555
+ 1022 23 554 553 543
+ 1023 27 557 555 559
+ 1024 24 557 555 553
+ 1025 5 556 555 557
+ 1026 28 553 555 559
+ 1027 29 556 555 559
+ 1028 26 556 555 553
+ 1029 9 555 557 558
+ 1030 10 558 557 563
+ 1031 11 555 557 563
+ 1032 30 555 559 562
+ 1033 31 560 559 562
+ 1034 31 561 559 562
+ 1035 32 555 559 560
+ 1036 32 555 559 561
+ 1037 33 560 559 561
+ 1038 34 559 562 40
+ 1039 35 564 563 566
+ 1040 21 564 563 557
+ 1041 36 557 563 566
+ 1042 27 569 564 571
+ 1043 24 569 564 563
+ 1044 5 565 564 569
+ 1045 28 563 564 571
+ 1046 29 565 564 571
+ 1047 26 565 564 563
+ 1048 37 563 566 574
+ 1049 38 567 566 563
+ 1050 38 568 566 563
+ 1051 39 567 566 574
+ 1052 39 568 566 574
+ 1053 33 567 566 568
+ 1054 9 564 569 570
+ 1055 10 570 569 577
+ 1056 11 564 569 577
+ 1057 40 564 571 574
+ 1058 39 572 571 574
+ 1059 39 573 571 574
+ 1060 32 564 571 572
+ 1061 32 564 571 573
+ 1062 33 572 571 573
+ 1063 41 566 574 571
+ 1064 39 575 574 566
+ 1065 39 576 574 566
+ 1066 39 575 574 571
+ 1067 39 576 574 571
+ 1068 33 575 574 576
+ 1069 74 569 577 579
+ 1070 75 578 577 579
+ 1071 23 578 577 569
+ 1072 76 582 579 577
+ 1073 77 580 579 582
+ 1074 77 581 579 582
+ 1075 78 580 579 577
+ 1076 78 581 579 577
+ 1077 79 580 579 581
+ 1078 80 583 582 579
+ 1079 10 583 582 584
+ 1080 81 584 582 579
+ 1081 21 586 584 582
+ 1082 22 585 584 586
+ 1083 23 585 584 582
+ 1084 27 588 586 590
+ 1085 24 588 586 584
+ 1086 5 587 586 588
+ 1087 28 584 586 590
+ 1088 29 587 586 590
+ 1089 26 587 586 584
+ 1090 9 586 588 589
+ 1091 10 589 588 597
+ 1092 11 586 588 597
+ 1093 62 586 590 593
+ 1094 63 591 590 593
+ 1095 63 592 590 593
+ 1096 32 586 590 591
+ 1097 32 586 590 592
+ 1098 33 591 590 592
+ 1099 83 594 593 595
+ 1100 65 594 593 590
+ 1101 84 595 593 590
+ 1102 85 593 595 596
+ 1103 21 599 597 588
+ 1104 22 598 597 599
+ 1105 23 598 597 588
+ 1106 27 601 599 603
+ 1107 24 601 599 597
+ 1108 5 600 599 601
+ 1109 28 597 599 603
+ 1110 29 600 599 603
+ 1111 26 600 599 597
+ 1112 9 599 601 602
+ 1113 10 602 601 618
+ 1114 11 599 601 618
+ 1115 68 599 603 606
+ 1116 69 604 603 606
+ 1117 69 605 603 606
+ 1118 32 599 603 604
+ 1119 32 599 603 605
+ 1120 33 604 603 605
+ 1121 70 607 606 609
+ 1122 71 603 606 607
+ 1123 71 603 606 609
+ 1124 70 611 607 606
+ 1125 72 608 607 611
+ 1126 72 608 607 606
+ 1127 70 606 609 613
+ 1128 72 610 609 606
+ 1129 72 610 609 613
+ 1130 70 615 611 607
+ 1131 72 612 611 615
+ 1132 72 612 611 607
+ 1133 70 609 613 615
+ 1134 72 614 613 609
+ 1135 72 614 613 615
+ 1136 86 616 615 613
+ 1137 86 616 615 611
+ 1138 70 613 615 611
+ 1139 87 617 616 615
+ 1140 21 620 618 601
+ 1141 22 619 618 620
+ 1142 23 619 618 601
+ 1143 53 622 620 624
+ 1144 24 622 620 618
+ 1145 5 621 620 622
+ 1146 54 624 620 618
+ 1147 55 621 620 624
+ 1148 26 621 620 618
+ 1149 9 620 622 623
+ 1150 10 623 622 628
+ 1151 11 620 622 628
+ 1152 56 620 624 625
+ 1153 56 620 624 626
+ 1154 56 620 624 627
+ 1155 20 625 624 626
+ 1156 20 625 624 627
+ 1157 20 626 624 627
+ 1158 21 630 628 622
+ 1159 22 629 628 630
+ 1160 23 629 628 622
+ 1161 88 635 630 632
+ 1162 89 628 630 632
+ 1163 90 631 630 632
+ 1164 28 628 630 635
+ 1165 29 631 630 635
+ 1166 26 631 630 628
+ 1167 91 633 632 634
+ 1168 92 630 632 633
+ 1169 92 630 632 634
+ 1170 62 630 635 638
+ 1171 63 636 635 638
+ 1172 63 637 635 638
+ 1173 32 630 635 636
+ 1174 32 630 635 637
+ 1175 33 636 635 637
+ 1176 64 639 638 640
+ 1177 65 639 638 635
+ 1178 66 635 638 640
+ 1179 67 641 640 638
+ 1180 67 642 640 638
+ 1181 61 641 640 642
+
+Dihedrals
+
+ 1 1 3 1 5 7
+ 2 2 3 1 5 9
+ 3 3 3 1 5 6
+ 4 1 4 1 5 7
+ 5 2 4 1 5 9
+ 6 3 4 1 5 6
+ 7 1 2 1 5 7
+ 8 2 2 1 5 9
+ 9 3 2 1 5 6
+ 10 4 9 5 7 8
+ 11 5 9 5 7 17
+ 12 6 1 5 7 8
+ 13 7 1 5 7 17
+ 14 8 6 5 7 8
+ 15 9 6 5 7 17
+ 16 10 7 5 9 13
+ 17 11 7 5 9 11
+ 18 12 7 5 9 10
+ 19 13 1 5 9 13
+ 20 14 1 5 9 11
+ 21 15 1 5 9 10
+ 22 16 6 5 9 13
+ 23 17 6 5 9 11
+ 24 18 6 5 9 10
+ 25 19 8 7 17 19
+ 26 20 8 7 17 18
+ 27 21 5 7 17 19
+ 28 22 5 7 17 18
+ 29 23 11 9 13 14
+ 30 23 11 9 13 15
+ 31 23 11 9 13 16
+ 32 24 5 9 13 14
+ 33 24 5 9 13 15
+ 34 24 5 9 13 16
+ 35 25 10 9 13 14
+ 36 25 10 9 13 15
+ 37 25 10 9 13 16
+ 38 26 13 9 11 12
+ 39 27 5 9 11 12
+ 40 28 10 9 11 12
+ 41 29 21 19 17 7
+ 42 30 23 19 17 7
+ 43 31 20 19 17 7
+ 44 32 21 19 17 18
+ 45 33 23 19 17 18
+ 46 34 20 19 17 18
+ 47 4 23 19 21 22
+ 48 5 23 19 21 31
+ 49 35 17 19 21 22
+ 50 36 17 19 21 31
+ 51 8 20 19 21 22
+ 52 9 20 19 21 31
+ 53 10 21 19 23 27
+ 54 11 21 19 23 25
+ 55 12 21 19 23 24
+ 56 37 17 19 23 27
+ 57 38 17 19 23 25
+ 58 39 17 19 23 24
+ 59 16 20 19 23 27
+ 60 17 20 19 23 25
+ 61 18 20 19 23 24
+ 62 19 22 21 31 33
+ 63 20 22 21 31 32
+ 64 21 19 21 31 33
+ 65 22 19 21 31 32
+ 66 23 25 23 27 28
+ 67 23 25 23 27 29
+ 68 23 25 23 27 30
+ 69 24 19 23 27 28
+ 70 24 19 23 27 29
+ 71 24 19 23 27 30
+ 72 25 24 23 27 28
+ 73 25 24 23 27 29
+ 74 25 24 23 27 30
+ 75 26 27 23 25 26
+ 76 27 19 23 25 26
+ 77 28 24 23 25 26
+ 78 29 35 33 31 21
+ 79 40 37 33 31 21
+ 80 31 34 33 31 21
+ 81 32 35 33 31 32
+ 82 41 37 33 31 32
+ 83 34 34 33 31 32
+ 84 42 37 33 35 36
+ 85 43 37 33 35 41
+ 86 35 31 33 35 36
+ 87 36 31 33 35 41
+ 88 8 34 33 35 36
+ 89 9 34 33 35 41
+ 90 44 35 33 37 40
+ 91 45 35 33 37 38
+ 92 45 35 33 37 39
+ 93 46 31 33 37 40
+ 94 47 31 33 37 38
+ 95 47 31 33 37 39
+ 96 48 34 33 37 40
+ 97 49 34 33 37 38
+ 98 49 34 33 37 39
+ 99 19 36 35 41 43
+ 100 20 36 35 41 42
+ 101 21 33 35 41 43
+ 102 22 33 35 41 42
+ 103 50 33 37 40 562
+ 104 51 38 37 40 562
+ 105 51 39 37 40 562
+ 106 52 37 40 562 559
+ 107 29 45 43 41 35
+ 108 40 47 43 41 35
+ 109 31 44 43 41 35
+ 110 32 45 43 41 42
+ 111 41 47 43 41 42
+ 112 34 44 43 41 42
+ 113 42 47 43 45 46
+ 114 43 47 43 45 51
+ 115 35 41 43 45 46
+ 116 36 41 43 45 51
+ 117 8 44 43 45 46
+ 118 9 44 43 45 51
+ 119 44 45 43 47 50
+ 120 45 45 43 47 48
+ 121 45 45 43 47 49
+ 122 46 41 43 47 50
+ 123 47 41 43 47 48
+ 124 47 41 43 47 49
+ 125 48 44 43 47 50
+ 126 49 44 43 47 48
+ 127 49 44 43 47 49
+ 128 19 46 45 51 52
+ 129 53 46 45 51 54
+ 130 21 43 45 51 52
+ 131 54 43 45 51 54
+ 132 50 43 47 50 450
+ 133 51 48 47 50 450
+ 134 51 49 47 50 450
+ 135 52 47 50 450 447
+ 136 55 57 52 51 54
+ 137 56 59 52 51 54
+ 138 57 53 52 51 54
+ 139 29 57 52 51 45
+ 140 40 59 52 51 45
+ 141 31 53 52 51 45
+ 142 58 52 51 54 62
+ 143 59 52 51 54 55
+ 144 59 52 51 54 56
+ 145 60 45 51 54 62
+ 146 61 45 51 54 55
+ 147 61 45 51 54 56
+ 148 42 59 52 57 58
+ 149 43 59 52 57 65
+ 150 35 51 52 57 58
+ 151 36 51 52 57 65
+ 152 8 53 52 57 58
+ 153 9 53 52 57 65
+ 154 62 57 52 59 62
+ 155 45 57 52 59 60
+ 156 45 57 52 59 61
+ 157 63 51 52 59 62
+ 158 47 51 52 59 60
+ 159 47 51 52 59 61
+ 160 64 53 52 59 62
+ 161 49 53 52 59 60
+ 162 49 53 52 59 61
+ 163 65 51 54 62 59
+ 164 66 63 62 54 51
+ 165 66 64 62 54 51
+ 166 67 55 54 62 59
+ 167 68 55 54 62 63
+ 168 68 55 54 62 64
+ 169 67 56 54 62 59
+ 170 68 56 54 62 63
+ 171 68 56 54 62 64
+ 172 19 58 57 65 67
+ 173 20 58 57 65 66
+ 174 21 52 57 65 67
+ 175 22 52 57 65 66
+ 176 69 52 59 62 54
+ 177 70 52 59 62 63
+ 178 70 52 59 62 64
+ 179 67 60 59 62 54
+ 180 68 60 59 62 63
+ 181 68 60 59 62 64
+ 182 67 61 59 62 54
+ 183 68 61 59 62 63
+ 184 68 61 59 62 64
+ 185 29 69 67 65 57
+ 186 40 71 67 65 57
+ 187 31 68 67 65 57
+ 188 32 69 67 65 66
+ 189 41 71 67 65 66
+ 190 34 68 67 65 66
+ 191 42 71 67 69 70
+ 192 43 71 67 69 76
+ 193 35 65 67 69 70
+ 194 36 65 67 69 76
+ 195 8 68 67 69 70
+ 196 9 68 67 69 76
+ 197 71 69 67 71 74
+ 198 45 69 67 71 72
+ 199 45 69 67 71 73
+ 200 72 65 67 71 74
+ 201 47 65 67 71 72
+ 202 47 65 67 71 73
+ 203 73 68 67 71 74
+ 204 49 68 67 71 72
+ 205 49 68 67 71 73
+ 206 19 70 69 76 78
+ 207 20 70 69 76 77
+ 208 21 67 69 76 78
+ 209 22 67 69 76 77
+ 210 74 75 74 71 67
+ 211 75 75 74 71 72
+ 212 75 75 74 71 73
+ 213 29 80 78 76 69
+ 214 30 82 78 76 69
+ 215 31 79 78 76 69
+ 216 32 80 78 76 77
+ 217 33 82 78 76 77
+ 218 34 79 78 76 77
+ 219 4 82 78 80 81
+ 220 5 82 78 80 95
+ 221 35 76 78 80 81
+ 222 36 76 78 80 95
+ 223 8 79 78 80 81
+ 224 9 79 78 80 95
+ 225 10 80 78 82 87
+ 226 76 80 78 82 84
+ 227 12 80 78 82 83
+ 228 37 76 78 82 87
+ 229 77 76 78 82 84
+ 230 39 76 78 82 83
+ 231 16 79 78 82 87
+ 232 78 79 78 82 84
+ 233 18 79 78 82 83
+ 234 19 81 80 95 97
+ 235 20 81 80 95 96
+ 236 21 78 80 95 97
+ 237 22 78 80 95 96
+ 238 79 84 82 87 88
+ 239 79 84 82 87 89
+ 240 79 84 82 87 90
+ 241 24 78 82 87 88
+ 242 24 78 82 87 89
+ 243 24 78 82 87 90
+ 244 25 83 82 87 88
+ 245 25 83 82 87 89
+ 246 25 83 82 87 90
+ 247 80 87 82 84 91
+ 248 81 87 82 84 85
+ 249 81 87 82 84 86
+ 250 82 78 82 84 91
+ 251 83 78 82 84 85
+ 252 83 78 82 84 86
+ 253 84 83 82 84 91
+ 254 85 83 82 84 85
+ 255 85 83 82 84 86
+ 256 86 92 91 84 82
+ 257 86 93 91 84 82
+ 258 86 94 91 84 82
+ 259 87 92 91 84 85
+ 260 87 93 91 84 85
+ 261 87 94 91 84 85
+ 262 87 92 91 84 86
+ 263 87 93 91 84 86
+ 264 87 94 91 84 86
+ 265 29 99 97 95 80
+ 266 30 101 97 95 80
+ 267 31 98 97 95 80
+ 268 32 99 97 95 96
+ 269 33 101 97 95 96
+ 270 34 98 97 95 96
+ 271 4 101 97 99 100
+ 272 5 101 97 99 111
+ 273 35 95 97 99 100
+ 274 36 95 97 99 111
+ 275 8 98 97 99 100
+ 276 9 98 97 99 111
+ 277 10 99 97 101 103
+ 278 10 99 97 101 107
+ 279 12 99 97 101 102
+ 280 37 95 97 101 103
+ 281 37 95 97 101 107
+ 282 39 95 97 101 102
+ 283 16 98 97 101 103
+ 284 16 98 97 101 107
+ 285 18 98 97 101 102
+ 286 19 100 99 111 113
+ 287 20 100 99 111 112
+ 288 21 97 99 111 113
+ 289 22 97 99 111 112
+ 290 88 107 101 103 104
+ 291 88 107 101 103 105
+ 292 88 107 101 103 106
+ 293 24 97 101 103 104
+ 294 24 97 101 103 105
+ 295 24 97 101 103 106
+ 296 25 102 101 103 104
+ 297 25 102 101 103 105
+ 298 25 102 101 103 106
+ 299 88 103 101 107 108
+ 300 88 103 101 107 109
+ 301 88 103 101 107 110
+ 302 24 97 101 107 108
+ 303 24 97 101 107 109
+ 304 24 97 101 107 110
+ 305 25 102 101 107 108
+ 306 25 102 101 107 109
+ 307 25 102 101 107 110
+ 308 29 115 113 111 99
+ 309 89 117 113 111 99
+ 310 31 114 113 111 99
+ 311 32 115 113 111 112
+ 312 90 117 113 111 112
+ 313 34 114 113 111 112
+ 314 91 117 113 115 116
+ 315 92 117 113 115 121
+ 316 35 111 113 115 116
+ 317 36 111 113 115 121
+ 318 8 114 113 115 116
+ 319 9 114 113 115 121
+ 320 93 115 113 117 118
+ 321 93 115 113 117 119
+ 322 93 115 113 117 120
+ 323 94 111 113 117 118
+ 324 94 111 113 117 119
+ 325 94 111 113 117 120
+ 326 95 114 113 117 118
+ 327 95 114 113 117 119
+ 328 95 114 113 117 120
+ 329 19 116 115 121 123
+ 330 20 116 115 121 122
+ 331 21 113 115 121 123
+ 332 22 113 115 121 122
+ 333 29 125 123 121 115
+ 334 40 127 123 121 115
+ 335 31 124 123 121 115
+ 336 32 125 123 121 122
+ 337 41 127 123 121 122
+ 338 34 124 123 121 122
+ 339 42 127 123 125 126
+ 340 43 127 123 125 144
+ 341 35 121 123 125 126
+ 342 36 121 123 125 144
+ 343 8 124 123 125 126
+ 344 9 124 123 125 144
+ 345 62 125 123 127 130
+ 346 45 125 123 127 128
+ 347 45 125 123 127 129
+ 348 63 121 123 127 130
+ 349 47 121 123 127 128
+ 350 47 121 123 127 129
+ 351 64 124 123 127 130
+ 352 49 124 123 127 128
+ 353 49 124 123 127 129
+ 354 19 126 125 144 146
+ 355 20 126 125 144 145
+ 356 21 123 125 144 146
+ 357 22 123 125 144 145
+ 358 69 123 127 130 133
+ 359 70 123 127 130 131
+ 360 70 123 127 130 132
+ 361 67 128 127 130 133
+ 362 68 128 127 130 131
+ 363 68 128 127 130 132
+ 364 67 129 127 130 133
+ 365 68 129 127 130 131
+ 366 68 129 127 130 132
+ 367 65 136 133 130 127
+ 368 67 134 133 130 127
+ 369 67 135 133 130 127
+ 370 66 131 130 133 136
+ 371 68 131 130 133 134
+ 372 68 131 130 133 135
+ 373 66 132 130 133 136
+ 374 68 132 130 133 134
+ 375 68 132 130 133 135
+ 376 96 137 136 133 130
+ 377 97 137 136 133 134
+ 378 97 137 136 133 135
+ 379 98 133 136 137 138
+ 380 98 133 136 137 141
+ 381 99 141 137 138 139
+ 382 99 141 137 138 140
+ 383 100 136 137 138 139
+ 384 100 136 137 138 140
+ 385 99 138 137 141 142
+ 386 99 138 137 141 143
+ 387 100 136 137 141 142
+ 388 100 136 137 141 143
+ 389 29 148 146 144 125
+ 390 40 150 146 144 125
+ 391 31 147 146 144 125
+ 392 32 148 146 144 145
+ 393 41 150 146 144 145
+ 394 34 147 146 144 145
+ 395 42 150 146 148 149
+ 396 43 150 146 148 155
+ 397 35 144 146 148 149
+ 398 36 144 146 148 155
+ 399 8 147 146 148 149
+ 400 9 147 146 148 155
+ 401 71 148 146 150 153
+ 402 45 148 146 150 151
+ 403 45 148 146 150 152
+ 404 72 144 146 150 153
+ 405 47 144 146 150 151
+ 406 47 144 146 150 152
+ 407 73 147 146 150 153
+ 408 49 147 146 150 151
+ 409 49 147 146 150 152
+ 410 19 149 148 155 157
+ 411 20 149 148 155 156
+ 412 21 146 148 155 157
+ 413 22 146 148 155 156
+ 414 74 154 153 150 146
+ 415 75 154 153 150 151
+ 416 75 154 153 150 152
+ 417 29 159 157 155 148
+ 418 40 161 157 155 148
+ 419 31 158 157 155 148
+ 420 32 159 157 155 156
+ 421 41 161 157 155 156
+ 422 34 158 157 155 156
+ 423 42 161 157 159 160
+ 424 43 161 157 159 169
+ 425 35 155 157 159 160
+ 426 36 155 157 159 169
+ 427 8 158 157 159 160
+ 428 9 158 157 159 169
+ 429 101 159 157 161 164
+ 430 45 159 157 161 162
+ 431 45 159 157 161 163
+ 432 102 155 157 161 164
+ 433 47 155 157 161 162
+ 434 47 155 157 161 163
+ 435 103 158 157 161 164
+ 436 49 158 157 161 162
+ 437 49 158 157 161 163
+ 438 19 160 159 169 171
+ 439 20 160 159 169 170
+ 440 21 157 159 169 171
+ 441 22 157 159 169 170
+ 442 104 165 164 161 157
+ 443 105 166 164 161 157
+ 444 106 165 164 161 162
+ 445 107 166 164 161 162
+ 446 106 165 164 161 163
+ 447 107 166 164 161 163
+ 448 108 165 164 166 167
+ 449 108 165 164 166 168
+ 450 109 161 164 166 167
+ 451 109 161 164 166 168
+ 452 29 173 171 169 159
+ 453 40 175 171 169 159
+ 454 31 172 171 169 159
+ 455 32 173 171 169 170
+ 456 41 175 171 169 170
+ 457 34 172 171 169 170
+ 458 42 175 171 173 174
+ 459 43 175 171 173 189
+ 460 35 169 171 173 174
+ 461 36 169 171 173 189
+ 462 8 172 171 173 174
+ 463 9 172 171 173 189
+ 464 110 173 171 175 178
+ 465 45 173 171 175 176
+ 466 45 173 171 175 177
+ 467 111 169 171 175 178
+ 468 47 169 171 175 176
+ 469 47 169 171 175 177
+ 470 112 172 171 175 178
+ 471 49 172 171 175 176
+ 472 49 172 171 175 177
+ 473 19 174 173 189 191
+ 474 20 174 173 189 190
+ 475 21 171 173 189 191
+ 476 22 171 173 189 190
+ 477 113 171 175 178 179
+ 478 113 171 175 178 181
+ 479 114 176 175 178 179
+ 480 114 176 175 178 181
+ 481 114 177 175 178 179
+ 482 114 177 175 178 181
+ 483 115 181 178 179 183
+ 484 116 180 179 178 181
+ 485 117 175 178 179 183
+ 486 118 180 179 178 175
+ 487 115 179 178 181 185
+ 488 116 182 181 178 179
+ 489 117 175 178 181 185
+ 490 118 182 181 178 175
+ 491 115 178 179 183 187
+ 492 116 184 183 179 178
+ 493 116 180 179 183 187
+ 494 119 180 179 183 184
+ 495 115 178 181 185 187
+ 496 116 186 185 181 178
+ 497 116 182 181 185 187
+ 498 119 182 181 185 186
+ 499 115 179 183 187 185
+ 500 116 188 187 183 179
+ 501 116 184 183 187 185
+ 502 119 184 183 187 188
+ 503 115 181 185 187 183
+ 504 116 188 187 185 181
+ 505 116 186 185 187 183
+ 506 119 186 185 187 188
+ 507 29 193 191 189 173
+ 508 40 195 191 189 173
+ 509 31 192 191 189 173
+ 510 32 193 191 189 190
+ 511 41 195 191 189 190
+ 512 34 192 191 189 190
+ 513 42 195 191 193 194
+ 514 43 195 191 193 203
+ 515 35 189 191 193 194
+ 516 36 189 191 193 203
+ 517 8 192 191 193 194
+ 518 9 192 191 193 203
+ 519 101 193 191 195 198
+ 520 45 193 191 195 196
+ 521 45 193 191 195 197
+ 522 102 189 191 195 198
+ 523 47 189 191 195 196
+ 524 47 189 191 195 197
+ 525 103 192 191 195 198
+ 526 49 192 191 195 196
+ 527 49 192 191 195 197
+ 528 19 194 193 203 205
+ 529 20 194 193 203 204
+ 530 21 191 193 203 205
+ 531 22 191 193 203 204
+ 532 104 199 198 195 191
+ 533 105 200 198 195 191
+ 534 106 199 198 195 196
+ 535 107 200 198 195 196
+ 536 106 199 198 195 197
+ 537 107 200 198 195 197
+ 538 108 199 198 200 201
+ 539 108 199 198 200 202
+ 540 109 195 198 200 201
+ 541 109 195 198 200 202
+ 542 29 207 205 203 193
+ 543 30 209 205 203 193
+ 544 31 206 205 203 193
+ 545 32 207 205 203 204
+ 546 33 209 205 203 204
+ 547 34 206 205 203 204
+ 548 4 209 205 207 208
+ 549 5 209 205 207 219
+ 550 35 203 205 207 208
+ 551 36 203 205 207 219
+ 552 8 206 205 207 208
+ 553 9 206 205 207 219
+ 554 10 207 205 209 211
+ 555 10 207 205 209 215
+ 556 12 207 205 209 210
+ 557 37 203 205 209 211
+ 558 37 203 205 209 215
+ 559 39 203 205 209 210
+ 560 16 206 205 209 211
+ 561 16 206 205 209 215
+ 562 18 206 205 209 210
+ 563 19 208 207 219 221
+ 564 20 208 207 219 220
+ 565 21 205 207 219 221
+ 566 22 205 207 219 220
+ 567 88 215 209 211 212
+ 568 88 215 209 211 213
+ 569 88 215 209 211 214
+ 570 24 205 209 211 212
+ 571 24 205 209 211 213
+ 572 24 205 209 211 214
+ 573 25 210 209 211 212
+ 574 25 210 209 211 213
+ 575 25 210 209 211 214
+ 576 88 211 209 215 216
+ 577 88 211 209 215 217
+ 578 88 211 209 215 218
+ 579 24 205 209 215 216
+ 580 24 205 209 215 217
+ 581 24 205 209 215 218
+ 582 25 210 209 215 216
+ 583 25 210 209 215 217
+ 584 25 210 209 215 218
+ 585 29 223 221 219 207
+ 586 40 225 221 219 207
+ 587 31 222 221 219 207
+ 588 32 223 221 219 220
+ 589 41 225 221 219 220
+ 590 34 222 221 219 220
+ 591 42 225 221 223 224
+ 592 43 225 221 223 229
+ 593 35 219 221 223 224
+ 594 36 219 221 223 229
+ 595 8 222 221 223 224
+ 596 9 222 221 223 229
+ 597 44 223 221 225 228
+ 598 45 223 221 225 226
+ 599 45 223 221 225 227
+ 600 46 219 221 225 228
+ 601 47 219 221 225 226
+ 602 47 219 221 225 227
+ 603 48 222 221 225 228
+ 604 49 222 221 225 226
+ 605 49 222 221 225 227
+ 606 19 224 223 229 231
+ 607 20 224 223 229 230
+ 608 21 221 223 229 231
+ 609 22 221 223 229 230
+ 610 50 221 225 228 374
+ 611 51 226 225 228 374
+ 612 51 227 225 228 374
+ 613 52 225 228 374 371
+ 614 29 233 231 229 223
+ 615 40 235 231 229 223
+ 616 31 232 231 229 223
+ 617 32 233 231 229 230
+ 618 41 235 231 229 230
+ 619 34 232 231 229 230
+ 620 42 235 231 233 234
+ 621 43 235 231 233 252
+ 622 35 229 231 233 234
+ 623 36 229 231 233 252
+ 624 8 232 231 233 234
+ 625 9 232 231 233 252
+ 626 62 233 231 235 238
+ 627 45 233 231 235 236
+ 628 45 233 231 235 237
+ 629 63 229 231 235 238
+ 630 47 229 231 235 236
+ 631 47 229 231 235 237
+ 632 64 232 231 235 238
+ 633 49 232 231 235 236
+ 634 49 232 231 235 237
+ 635 19 234 233 252 254
+ 636 20 234 233 252 253
+ 637 21 231 233 252 254
+ 638 22 231 233 252 253
+ 639 69 231 235 238 241
+ 640 70 231 235 238 239
+ 641 70 231 235 238 240
+ 642 67 236 235 238 241
+ 643 68 236 235 238 239
+ 644 68 236 235 238 240
+ 645 67 237 235 238 241
+ 646 68 237 235 238 239
+ 647 68 237 235 238 240
+ 648 65 244 241 238 235
+ 649 67 242 241 238 235
+ 650 67 243 241 238 235
+ 651 66 239 238 241 244
+ 652 68 239 238 241 242
+ 653 68 239 238 241 243
+ 654 66 240 238 241 244
+ 655 68 240 238 241 242
+ 656 68 240 238 241 243
+ 657 96 245 244 241 238
+ 658 97 245 244 241 242
+ 659 97 245 244 241 243
+ 660 98 241 244 245 246
+ 661 98 241 244 245 249
+ 662 99 249 245 246 247
+ 663 99 249 245 246 248
+ 664 100 244 245 246 247
+ 665 100 244 245 246 248
+ 666 99 246 245 249 250
+ 667 99 246 245 249 251
+ 668 100 244 245 249 250
+ 669 100 244 245 249 251
+ 670 29 256 254 252 233
+ 671 40 258 254 252 233
+ 672 31 255 254 252 233
+ 673 32 256 254 252 253
+ 674 41 258 254 252 253
+ 675 34 255 254 252 253
+ 676 42 258 254 256 257
+ 677 43 258 254 256 271
+ 678 35 252 254 256 257
+ 679 36 252 254 256 271
+ 680 8 255 254 256 257
+ 681 9 255 254 256 271
+ 682 120 256 254 258 261
+ 683 45 256 254 258 259
+ 684 45 256 254 258 260
+ 685 121 252 254 258 261
+ 686 47 252 254 258 259
+ 687 47 252 254 258 260
+ 688 122 255 254 258 261
+ 689 49 255 254 258 259
+ 690 49 255 254 258 260
+ 691 19 257 256 271 272
+ 692 53 257 256 271 274
+ 693 21 254 256 271 272
+ 694 54 254 256 271 274
+ 695 123 263 261 258 254
+ 696 123 267 261 258 254
+ 697 124 262 261 258 254
+ 698 81 263 261 258 259
+ 699 81 267 261 258 259
+ 700 85 262 261 258 259
+ 701 81 263 261 258 260
+ 702 81 267 261 258 260
+ 703 85 262 261 258 260
+ 704 88 267 261 263 264
+ 705 88 267 261 263 265
+ 706 88 267 261 263 266
+ 707 79 258 261 263 264
+ 708 79 258 261 263 265
+ 709 79 258 261 263 266
+ 710 25 262 261 263 264
+ 711 25 262 261 263 265
+ 712 25 262 261 263 266
+ 713 88 263 261 267 268
+ 714 88 263 261 267 269
+ 715 88 263 261 267 270
+ 716 79 258 261 267 268
+ 717 79 258 261 267 269
+ 718 79 258 261 267 270
+ 719 25 262 261 267 268
+ 720 25 262 261 267 269
+ 721 25 262 261 267 270
+ 722 55 277 272 271 274
+ 723 56 279 272 271 274
+ 724 57 273 272 271 274
+ 725 29 277 272 271 256
+ 726 40 279 272 271 256
+ 727 31 273 272 271 256
+ 728 58 272 271 274 282
+ 729 59 272 271 274 275
+ 730 59 272 271 274 276
+ 731 60 256 271 274 282
+ 732 61 256 271 274 275
+ 733 61 256 271 274 276
+ 734 42 279 272 277 278
+ 735 43 279 272 277 285
+ 736 35 271 272 277 278
+ 737 36 271 272 277 285
+ 738 8 273 272 277 278
+ 739 9 273 272 277 285
+ 740 62 277 272 279 282
+ 741 45 277 272 279 280
+ 742 45 277 272 279 281
+ 743 63 271 272 279 282
+ 744 47 271 272 279 280
+ 745 47 271 272 279 281
+ 746 64 273 272 279 282
+ 747 49 273 272 279 280
+ 748 49 273 272 279 281
+ 749 65 271 274 282 279
+ 750 66 283 282 274 271
+ 751 66 284 282 274 271
+ 752 67 275 274 282 279
+ 753 68 275 274 282 283
+ 754 68 275 274 282 284
+ 755 67 276 274 282 279
+ 756 68 276 274 282 283
+ 757 68 276 274 282 284
+ 758 125 278 277 285 287
+ 759 20 278 277 285 286
+ 760 126 272 277 285 287
+ 761 22 272 277 285 286
+ 762 69 272 279 282 274
+ 763 70 272 279 282 283
+ 764 70 272 279 282 284
+ 765 67 280 279 282 274
+ 766 68 280 279 282 283
+ 767 68 280 279 282 284
+ 768 67 281 279 282 274
+ 769 68 281 279 282 283
+ 770 68 281 279 282 284
+ 771 127 277 285 287 290
+ 772 128 277 285 287 288
+ 773 128 277 285 287 289
+ 774 129 286 285 287 290
+ 775 130 286 285 287 288
+ 776 130 286 285 287 289
+ 777 131 291 290 287 285
+ 778 132 292 290 287 285
+ 779 133 291 290 287 288
+ 780 134 292 290 287 288
+ 781 133 291 290 287 289
+ 782 134 292 290 287 289
+ 783 19 291 290 292 294
+ 784 20 291 290 292 293
+ 785 135 287 290 292 294
+ 786 136 287 290 292 293
+ 787 29 296 294 292 290
+ 788 30 298 294 292 290
+ 789 31 295 294 292 290
+ 790 32 296 294 292 293
+ 791 33 298 294 292 293
+ 792 34 295 294 292 293
+ 793 4 298 294 296 297
+ 794 5 298 294 296 306
+ 795 35 292 294 296 297
+ 796 36 292 294 296 306
+ 797 8 295 294 296 297
+ 798 9 295 294 296 306
+ 799 10 296 294 298 302
+ 800 11 296 294 298 300
+ 801 12 296 294 298 299
+ 802 37 292 294 298 302
+ 803 38 292 294 298 300
+ 804 39 292 294 298 299
+ 805 16 295 294 298 302
+ 806 17 295 294 298 300
+ 807 18 295 294 298 299
+ 808 19 297 296 306 307
+ 809 53 297 296 306 309
+ 810 21 294 296 306 307
+ 811 54 294 296 306 309
+ 812 23 300 298 302 303
+ 813 23 300 298 302 304
+ 814 23 300 298 302 305
+ 815 24 294 298 302 303
+ 816 24 294 298 302 304
+ 817 24 294 298 302 305
+ 818 25 299 298 302 303
+ 819 25 299 298 302 304
+ 820 25 299 298 302 305
+ 821 26 302 298 300 301
+ 822 27 294 298 300 301
+ 823 28 299 298 300 301
+ 824 55 312 307 306 309
+ 825 56 314 307 306 309
+ 826 57 308 307 306 309
+ 827 29 312 307 306 296
+ 828 40 314 307 306 296
+ 829 31 308 307 306 296
+ 830 58 307 306 309 317
+ 831 59 307 306 309 310
+ 832 59 307 306 309 311
+ 833 60 296 306 309 317
+ 834 61 296 306 309 310
+ 835 61 296 306 309 311
+ 836 42 314 307 312 313
+ 837 43 314 307 312 320
+ 838 35 306 307 312 313
+ 839 36 306 307 312 320
+ 840 8 308 307 312 313
+ 841 9 308 307 312 320
+ 842 62 312 307 314 317
+ 843 45 312 307 314 315
+ 844 45 312 307 314 316
+ 845 63 306 307 314 317
+ 846 47 306 307 314 315
+ 847 47 306 307 314 316
+ 848 64 308 307 314 317
+ 849 49 308 307 314 315
+ 850 49 308 307 314 316
+ 851 65 306 309 317 314
+ 852 66 318 317 309 306
+ 853 66 319 317 309 306
+ 854 67 310 309 317 314
+ 855 68 310 309 317 318
+ 856 68 310 309 317 319
+ 857 67 311 309 317 314
+ 858 68 311 309 317 318
+ 859 68 311 309 317 319
+ 860 19 313 312 320 322
+ 861 20 313 312 320 321
+ 862 21 307 312 320 322
+ 863 22 307 312 320 321
+ 864 69 307 314 317 309
+ 865 70 307 314 317 318
+ 866 70 307 314 317 319
+ 867 67 315 314 317 309
+ 868 68 315 314 317 318
+ 869 68 315 314 317 319
+ 870 67 316 314 317 309
+ 871 68 316 314 317 318
+ 872 68 316 314 317 319
+ 873 29 324 322 320 312
+ 874 40 326 322 320 312
+ 875 31 323 322 320 312
+ 876 32 324 322 320 321
+ 877 41 326 322 320 321
+ 878 34 323 322 320 321
+ 879 42 326 322 324 325
+ 880 43 326 322 324 336
+ 881 35 320 322 324 325
+ 882 36 320 322 324 336
+ 883 8 323 322 324 325
+ 884 9 323 322 324 336
+ 885 62 324 322 326 329
+ 886 45 324 322 326 327
+ 887 45 324 322 326 328
+ 888 63 320 322 326 329
+ 889 47 320 322 326 327
+ 890 47 320 322 326 328
+ 891 64 323 322 326 329
+ 892 49 323 322 326 327
+ 893 49 323 322 326 328
+ 894 19 325 324 336 338
+ 895 20 325 324 336 337
+ 896 21 322 324 336 338
+ 897 22 322 324 336 337
+ 898 137 322 326 329 332
+ 899 70 322 326 329 330
+ 900 70 322 326 329 331
+ 901 138 327 326 329 332
+ 902 68 327 326 329 330
+ 903 68 327 326 329 331
+ 904 138 328 326 329 332
+ 905 68 328 326 329 330
+ 906 68 328 326 329 331
+ 907 139 333 332 329 326
+ 908 140 334 332 329 326
+ 909 106 333 332 329 330
+ 910 141 334 332 329 330
+ 911 106 333 332 329 331
+ 912 141 334 332 329 331
+ 913 142 333 332 334 335
+ 914 143 329 332 334 335
+ 915 29 340 338 336 324
+ 916 89 342 338 336 324
+ 917 31 339 338 336 324
+ 918 32 340 338 336 337
+ 919 90 342 338 336 337
+ 920 34 339 338 336 337
+ 921 91 342 338 340 341
+ 922 92 342 338 340 346
+ 923 35 336 338 340 341
+ 924 36 336 338 340 346
+ 925 8 339 338 340 341
+ 926 9 339 338 340 346
+ 927 93 340 338 342 343
+ 928 93 340 338 342 344
+ 929 93 340 338 342 345
+ 930 94 336 338 342 343
+ 931 94 336 338 342 344
+ 932 94 336 338 342 345
+ 933 95 339 338 342 343
+ 934 95 339 338 342 344
+ 935 95 339 338 342 345
+ 936 19 341 340 346 348
+ 937 20 341 340 346 347
+ 938 21 338 340 346 348
+ 939 22 338 340 346 347
+ 940 29 350 348 346 340
+ 941 30 352 348 346 340
+ 942 31 349 348 346 340
+ 943 32 350 348 346 347
+ 944 33 352 348 346 347
+ 945 34 349 348 346 347
+ 946 4 352 348 350 351
+ 947 5 352 348 350 365
+ 948 35 346 348 350 351
+ 949 36 346 348 350 365
+ 950 8 349 348 350 351
+ 951 9 349 348 350 365
+ 952 10 350 348 352 357
+ 953 76 350 348 352 354
+ 954 12 350 348 352 353
+ 955 37 346 348 352 357
+ 956 77 346 348 352 354
+ 957 39 346 348 352 353
+ 958 16 349 348 352 357
+ 959 78 349 348 352 354
+ 960 18 349 348 352 353
+ 961 19 351 350 365 367
+ 962 20 351 350 365 366
+ 963 21 348 350 365 367
+ 964 22 348 350 365 366
+ 965 79 354 352 357 358
+ 966 79 354 352 357 359
+ 967 79 354 352 357 360
+ 968 24 348 352 357 358
+ 969 24 348 352 357 359
+ 970 24 348 352 357 360
+ 971 25 353 352 357 358
+ 972 25 353 352 357 359
+ 973 25 353 352 357 360
+ 974 80 357 352 354 361
+ 975 81 357 352 354 355
+ 976 81 357 352 354 356
+ 977 82 348 352 354 361
+ 978 83 348 352 354 355
+ 979 83 348 352 354 356
+ 980 84 353 352 354 361
+ 981 85 353 352 354 355
+ 982 85 353 352 354 356
+ 983 86 362 361 354 352
+ 984 86 363 361 354 352
+ 985 86 364 361 354 352
+ 986 87 362 361 354 355
+ 987 87 363 361 354 355
+ 988 87 364 361 354 355
+ 989 87 362 361 354 356
+ 990 87 363 361 354 356
+ 991 87 364 361 354 356
+ 992 29 369 367 365 350
+ 993 40 371 367 365 350
+ 994 31 368 367 365 350
+ 995 32 369 367 365 366
+ 996 41 371 367 365 366
+ 997 34 368 367 365 366
+ 998 42 371 367 369 370
+ 999 43 371 367 369 375
+ 1000 35 365 367 369 370
+ 1001 36 365 367 369 375
+ 1002 8 368 367 369 370
+ 1003 9 368 367 369 375
+ 1004 44 369 367 371 374
+ 1005 45 369 367 371 372
+ 1006 45 369 367 371 373
+ 1007 46 365 367 371 374
+ 1008 47 365 367 371 372
+ 1009 47 365 367 371 373
+ 1010 48 368 367 371 374
+ 1011 49 368 367 371 372
+ 1012 49 368 367 371 373
+ 1013 19 370 369 375 377
+ 1014 20 370 369 375 376
+ 1015 21 367 369 375 377
+ 1016 22 367 369 375 376
+ 1017 50 367 371 374 228
+ 1018 51 372 371 374 228
+ 1019 51 373 371 374 228
+ 1020 29 379 377 375 369
+ 1021 89 381 377 375 369
+ 1022 31 378 377 375 369
+ 1023 32 379 377 375 376
+ 1024 90 381 377 375 376
+ 1025 34 378 377 375 376
+ 1026 91 381 377 379 380
+ 1027 92 381 377 379 385
+ 1028 35 375 377 379 380
+ 1029 36 375 377 379 385
+ 1030 8 378 377 379 380
+ 1031 9 378 377 379 385
+ 1032 93 379 377 381 382
+ 1033 93 379 377 381 383
+ 1034 93 379 377 381 384
+ 1035 94 375 377 381 382
+ 1036 94 375 377 381 383
+ 1037 94 375 377 381 384
+ 1038 95 378 377 381 382
+ 1039 95 378 377 381 383
+ 1040 95 378 377 381 384
+ 1041 19 380 379 385 387
+ 1042 20 380 379 385 386
+ 1043 21 377 379 385 387
+ 1044 22 377 379 385 386
+ 1045 29 389 387 385 379
+ 1046 30 391 387 385 379
+ 1047 31 388 387 385 379
+ 1048 32 389 387 385 386
+ 1049 33 391 387 385 386
+ 1050 34 388 387 385 386
+ 1051 4 391 387 389 390
+ 1052 5 391 387 389 399
+ 1053 35 385 387 389 390
+ 1054 36 385 387 389 399
+ 1055 8 388 387 389 390
+ 1056 9 388 387 389 399
+ 1057 10 389 387 391 395
+ 1058 11 389 387 391 393
+ 1059 12 389 387 391 392
+ 1060 37 385 387 391 395
+ 1061 38 385 387 391 393
+ 1062 39 385 387 391 392
+ 1063 16 388 387 391 395
+ 1064 17 388 387 391 393
+ 1065 18 388 387 391 392
+ 1066 19 390 389 399 401
+ 1067 20 390 389 399 400
+ 1068 21 387 389 399 401
+ 1069 22 387 389 399 400
+ 1070 23 393 391 395 396
+ 1071 23 393 391 395 397
+ 1072 23 393 391 395 398
+ 1073 24 387 391 395 396
+ 1074 24 387 391 395 397
+ 1075 24 387 391 395 398
+ 1076 25 392 391 395 396
+ 1077 25 392 391 395 397
+ 1078 25 392 391 395 398
+ 1079 26 395 391 393 394
+ 1080 27 387 391 393 394
+ 1081 28 392 391 393 394
+ 1082 29 403 401 399 389
+ 1083 40 405 401 399 389
+ 1084 31 402 401 399 389
+ 1085 32 403 401 399 400
+ 1086 41 405 401 399 400
+ 1087 34 402 401 399 400
+ 1088 42 405 401 403 404
+ 1089 43 405 401 403 420
+ 1090 35 399 401 403 404
+ 1091 36 399 401 403 420
+ 1092 8 402 401 403 404
+ 1093 9 402 401 403 420
+ 1094 110 403 401 405 408
+ 1095 45 403 401 405 406
+ 1096 45 403 401 405 407
+ 1097 111 399 401 405 408
+ 1098 47 399 401 405 406
+ 1099 47 399 401 405 407
+ 1100 112 402 401 405 408
+ 1101 49 402 401 405 406
+ 1102 49 402 401 405 407
+ 1103 19 404 403 420 422
+ 1104 20 404 403 420 421
+ 1105 21 401 403 420 422
+ 1106 22 401 403 420 421
+ 1107 113 401 405 408 409
+ 1108 113 401 405 408 411
+ 1109 114 406 405 408 409
+ 1110 114 406 405 408 411
+ 1111 114 407 405 408 409
+ 1112 114 407 405 408 411
+ 1113 115 411 408 409 413
+ 1114 116 410 409 408 411
+ 1115 117 405 408 409 413
+ 1116 118 410 409 408 405
+ 1117 115 409 408 411 415
+ 1118 116 412 411 408 409
+ 1119 117 405 408 411 415
+ 1120 118 412 411 408 405
+ 1121 115 408 409 413 417
+ 1122 116 414 413 409 408
+ 1123 116 410 409 413 417
+ 1124 119 410 409 413 414
+ 1125 115 408 411 415 417
+ 1126 116 416 415 411 408
+ 1127 116 412 411 415 417
+ 1128 119 412 411 415 416
+ 1129 144 418 417 413 409
+ 1130 115 409 413 417 415
+ 1131 145 414 413 417 418
+ 1132 116 414 413 417 415
+ 1133 144 418 417 415 411
+ 1134 115 411 415 417 413
+ 1135 145 416 415 417 418
+ 1136 116 416 415 417 413
+ 1137 146 419 418 417 415
+ 1138 146 419 418 417 413
+ 1139 29 424 422 420 403
+ 1140 30 426 422 420 403
+ 1141 31 423 422 420 403
+ 1142 32 424 422 420 421
+ 1143 33 426 422 420 421
+ 1144 34 423 422 420 421
+ 1145 4 426 422 424 425
+ 1146 5 426 422 424 434
+ 1147 35 420 422 424 425
+ 1148 36 420 422 424 434
+ 1149 8 423 422 424 425
+ 1150 9 423 422 424 434
+ 1151 10 424 422 426 430
+ 1152 11 424 422 426 428
+ 1153 12 424 422 426 427
+ 1154 37 420 422 426 430
+ 1155 38 420 422 426 428
+ 1156 39 420 422 426 427
+ 1157 16 423 422 426 430
+ 1158 17 423 422 426 428
+ 1159 18 423 422 426 427
+ 1160 125 425 424 434 436
+ 1161 20 425 424 434 435
+ 1162 126 422 424 434 436
+ 1163 22 422 424 434 435
+ 1164 23 428 426 430 431
+ 1165 23 428 426 430 432
+ 1166 23 428 426 430 433
+ 1167 24 422 426 430 431
+ 1168 24 422 426 430 432
+ 1169 24 422 426 430 433
+ 1170 25 427 426 430 431
+ 1171 25 427 426 430 432
+ 1172 25 427 426 430 433
+ 1173 26 430 426 428 429
+ 1174 27 422 426 428 429
+ 1175 28 427 426 428 429
+ 1176 127 424 434 436 439
+ 1177 128 424 434 436 437
+ 1178 128 424 434 436 438
+ 1179 129 435 434 436 439
+ 1180 130 435 434 436 437
+ 1181 130 435 434 436 438
+ 1182 131 440 439 436 434
+ 1183 132 441 439 436 434
+ 1184 133 440 439 436 437
+ 1185 134 441 439 436 437
+ 1186 133 440 439 436 438
+ 1187 134 441 439 436 438
+ 1188 19 440 439 441 443
+ 1189 20 440 439 441 442
+ 1190 135 436 439 441 443
+ 1191 136 436 439 441 442
+ 1192 29 445 443 441 439
+ 1193 40 447 443 441 439
+ 1194 31 444 443 441 439
+ 1195 32 445 443 441 442
+ 1196 41 447 443 441 442
+ 1197 34 444 443 441 442
+ 1198 42 447 443 445 446
+ 1199 43 447 443 445 451
+ 1200 35 441 443 445 446
+ 1201 36 441 443 445 451
+ 1202 8 444 443 445 446
+ 1203 9 444 443 445 451
+ 1204 44 445 443 447 450
+ 1205 45 445 443 447 448
+ 1206 45 445 443 447 449
+ 1207 46 441 443 447 450
+ 1208 47 441 443 447 448
+ 1209 47 441 443 447 449
+ 1210 48 444 443 447 450
+ 1211 49 444 443 447 448
+ 1212 49 444 443 447 449
+ 1213 19 446 445 451 453
+ 1214 20 446 445 451 452
+ 1215 21 443 445 451 453
+ 1216 22 443 445 451 452
+ 1217 50 443 447 450 50
+ 1218 51 448 447 450 50
+ 1219 51 449 447 450 50
+ 1220 29 455 453 451 445
+ 1221 30 457 453 451 445
+ 1222 31 454 453 451 445
+ 1223 32 455 453 451 452
+ 1224 33 457 453 451 452
+ 1225 34 454 453 451 452
+ 1226 4 457 453 455 456
+ 1227 5 457 453 455 470
+ 1228 35 451 453 455 456
+ 1229 36 451 453 455 470
+ 1230 8 454 453 455 456
+ 1231 9 454 453 455 470
+ 1232 10 455 453 457 462
+ 1233 76 455 453 457 459
+ 1234 12 455 453 457 458
+ 1235 37 451 453 457 462
+ 1236 77 451 453 457 459
+ 1237 39 451 453 457 458
+ 1238 16 454 453 457 462
+ 1239 78 454 453 457 459
+ 1240 18 454 453 457 458
+ 1241 19 456 455 470 472
+ 1242 20 456 455 470 471
+ 1243 21 453 455 470 472
+ 1244 22 453 455 470 471
+ 1245 79 459 457 462 463
+ 1246 79 459 457 462 464
+ 1247 79 459 457 462 465
+ 1248 24 453 457 462 463
+ 1249 24 453 457 462 464
+ 1250 24 453 457 462 465
+ 1251 25 458 457 462 463
+ 1252 25 458 457 462 464
+ 1253 25 458 457 462 465
+ 1254 80 462 457 459 466
+ 1255 81 462 457 459 460
+ 1256 81 462 457 459 461
+ 1257 82 453 457 459 466
+ 1258 83 453 457 459 460
+ 1259 83 453 457 459 461
+ 1260 84 458 457 459 466
+ 1261 85 458 457 459 460
+ 1262 85 458 457 459 461
+ 1263 86 467 466 459 457
+ 1264 86 468 466 459 457
+ 1265 86 469 466 459 457
+ 1266 87 467 466 459 460
+ 1267 87 468 466 459 460
+ 1268 87 469 466 459 460
+ 1269 87 467 466 459 461
+ 1270 87 468 466 459 461
+ 1271 87 469 466 459 461
+ 1272 29 474 472 470 455
+ 1273 30 476 472 470 455
+ 1274 31 473 472 470 455
+ 1275 32 474 472 470 471
+ 1276 33 476 472 470 471
+ 1277 34 473 472 470 471
+ 1278 4 476 472 474 475
+ 1279 5 476 472 474 489
+ 1280 35 470 472 474 475
+ 1281 36 470 472 474 489
+ 1282 8 473 472 474 475
+ 1283 9 473 472 474 489
+ 1284 10 474 472 476 481
+ 1285 76 474 472 476 478
+ 1286 12 474 472 476 477
+ 1287 37 470 472 476 481
+ 1288 77 470 472 476 478
+ 1289 39 470 472 476 477
+ 1290 16 473 472 476 481
+ 1291 78 473 472 476 478
+ 1292 18 473 472 476 477
+ 1293 19 475 474 489 491
+ 1294 20 475 474 489 490
+ 1295 21 472 474 489 491
+ 1296 22 472 474 489 490
+ 1297 79 478 476 481 482
+ 1298 79 478 476 481 483
+ 1299 79 478 476 481 484
+ 1300 24 472 476 481 482
+ 1301 24 472 476 481 483
+ 1302 24 472 476 481 484
+ 1303 25 477 476 481 482
+ 1304 25 477 476 481 483
+ 1305 25 477 476 481 484
+ 1306 80 481 476 478 485
+ 1307 81 481 476 478 479
+ 1308 81 481 476 478 480
+ 1309 82 472 476 478 485
+ 1310 83 472 476 478 479
+ 1311 83 472 476 478 480
+ 1312 84 477 476 478 485
+ 1313 85 477 476 478 479
+ 1314 85 477 476 478 480
+ 1315 86 486 485 478 476
+ 1316 86 487 485 478 476
+ 1317 86 488 485 478 476
+ 1318 87 486 485 478 479
+ 1319 87 487 485 478 479
+ 1320 87 488 485 478 479
+ 1321 87 486 485 478 480
+ 1322 87 487 485 478 480
+ 1323 87 488 485 478 480
+ 1324 29 493 491 489 474
+ 1325 30 495 491 489 474
+ 1326 31 492 491 489 474
+ 1327 32 493 491 489 490
+ 1328 33 495 491 489 490
+ 1329 34 492 491 489 490
+ 1330 4 495 491 493 494
+ 1331 5 495 491 493 508
+ 1332 35 489 491 493 494
+ 1333 36 489 491 493 508
+ 1334 8 492 491 493 494
+ 1335 9 492 491 493 508
+ 1336 10 493 491 495 500
+ 1337 76 493 491 495 497
+ 1338 12 493 491 495 496
+ 1339 37 489 491 495 500
+ 1340 77 489 491 495 497
+ 1341 39 489 491 495 496
+ 1342 16 492 491 495 500
+ 1343 78 492 491 495 497
+ 1344 18 492 491 495 496
+ 1345 19 494 493 508 509
+ 1346 53 494 493 508 511
+ 1347 21 491 493 508 509
+ 1348 54 491 493 508 511
+ 1349 79 497 495 500 501
+ 1350 79 497 495 500 502
+ 1351 79 497 495 500 503
+ 1352 24 491 495 500 501
+ 1353 24 491 495 500 502
+ 1354 24 491 495 500 503
+ 1355 25 496 495 500 501
+ 1356 25 496 495 500 502
+ 1357 25 496 495 500 503
+ 1358 80 500 495 497 504
+ 1359 81 500 495 497 498
+ 1360 81 500 495 497 499
+ 1361 82 491 495 497 504
+ 1362 83 491 495 497 498
+ 1363 83 491 495 497 499
+ 1364 84 496 495 497 504
+ 1365 85 496 495 497 498
+ 1366 85 496 495 497 499
+ 1367 86 505 504 497 495
+ 1368 86 506 504 497 495
+ 1369 86 507 504 497 495
+ 1370 87 505 504 497 498
+ 1371 87 506 504 497 498
+ 1372 87 507 504 497 498
+ 1373 87 505 504 497 499
+ 1374 87 506 504 497 499
+ 1375 87 507 504 497 499
+ 1376 55 514 509 508 511
+ 1377 56 516 509 508 511
+ 1378 57 510 509 508 511
+ 1379 29 514 509 508 493
+ 1380 40 516 509 508 493
+ 1381 31 510 509 508 493
+ 1382 58 509 508 511 519
+ 1383 59 509 508 511 512
+ 1384 59 509 508 511 513
+ 1385 60 493 508 511 519
+ 1386 61 493 508 511 512
+ 1387 61 493 508 511 513
+ 1388 42 516 509 514 515
+ 1389 43 516 509 514 522
+ 1390 35 508 509 514 515
+ 1391 36 508 509 514 522
+ 1392 8 510 509 514 515
+ 1393 9 510 509 514 522
+ 1394 62 514 509 516 519
+ 1395 45 514 509 516 517
+ 1396 45 514 509 516 518
+ 1397 63 508 509 516 519
+ 1398 47 508 509 516 517
+ 1399 47 508 509 516 518
+ 1400 64 510 509 516 519
+ 1401 49 510 509 516 517
+ 1402 49 510 509 516 518
+ 1403 65 508 511 519 516
+ 1404 66 520 519 511 508
+ 1405 66 521 519 511 508
+ 1406 67 512 511 519 516
+ 1407 68 512 511 519 520
+ 1408 68 512 511 519 521
+ 1409 67 513 511 519 516
+ 1410 68 513 511 519 520
+ 1411 68 513 511 519 521
+ 1412 125 515 514 522 524
+ 1413 20 515 514 522 523
+ 1414 126 509 514 522 524
+ 1415 22 509 514 522 523
+ 1416 69 509 516 519 511
+ 1417 70 509 516 519 520
+ 1418 70 509 516 519 521
+ 1419 67 517 516 519 511
+ 1420 68 517 516 519 520
+ 1421 68 517 516 519 521
+ 1422 67 518 516 519 511
+ 1423 68 518 516 519 520
+ 1424 68 518 516 519 521
+ 1425 127 514 522 524 527
+ 1426 128 514 522 524 525
+ 1427 128 514 522 524 526
+ 1428 129 523 522 524 527
+ 1429 130 523 522 524 525
+ 1430 130 523 522 524 526
+ 1431 131 528 527 524 522
+ 1432 132 529 527 524 522
+ 1433 133 528 527 524 525
+ 1434 134 529 527 524 525
+ 1435 133 528 527 524 526
+ 1436 134 529 527 524 526
+ 1437 19 528 527 529 531
+ 1438 20 528 527 529 530
+ 1439 135 524 527 529 531
+ 1440 136 524 527 529 530
+ 1441 29 533 531 529 527
+ 1442 89 535 531 529 527
+ 1443 31 532 531 529 527
+ 1444 32 533 531 529 530
+ 1445 90 535 531 529 530
+ 1446 34 532 531 529 530
+ 1447 91 535 531 533 534
+ 1448 92 535 531 533 539
+ 1449 35 529 531 533 534
+ 1450 36 529 531 533 539
+ 1451 8 532 531 533 534
+ 1452 9 532 531 533 539
+ 1453 93 533 531 535 536
+ 1454 93 533 531 535 537
+ 1455 93 533 531 535 538
+ 1456 94 529 531 535 536
+ 1457 94 529 531 535 537
+ 1458 94 529 531 535 538
+ 1459 95 532 531 535 536
+ 1460 95 532 531 535 537
+ 1461 95 532 531 535 538
+ 1462 19 534 533 539 541
+ 1463 20 534 533 539 540
+ 1464 21 531 533 539 541
+ 1465 22 531 533 539 540
+ 1466 29 543 541 539 533
+ 1467 30 545 541 539 533
+ 1468 31 542 541 539 533
+ 1469 32 543 541 539 540
+ 1470 33 545 541 539 540
+ 1471 34 542 541 539 540
+ 1472 4 545 541 543 544
+ 1473 5 545 541 543 553
+ 1474 35 539 541 543 544
+ 1475 36 539 541 543 553
+ 1476 8 542 541 543 544
+ 1477 9 542 541 543 553
+ 1478 10 543 541 545 549
+ 1479 11 543 541 545 547
+ 1480 12 543 541 545 546
+ 1481 37 539 541 545 549
+ 1482 38 539 541 545 547
+ 1483 39 539 541 545 546
+ 1484 16 542 541 545 549
+ 1485 17 542 541 545 547
+ 1486 18 542 541 545 546
+ 1487 19 544 543 553 555
+ 1488 20 544 543 553 554
+ 1489 21 541 543 553 555
+ 1490 22 541 543 553 554
+ 1491 23 547 545 549 550
+ 1492 23 547 545 549 551
+ 1493 23 547 545 549 552
+ 1494 24 541 545 549 550
+ 1495 24 541 545 549 551
+ 1496 24 541 545 549 552
+ 1497 25 546 545 549 550
+ 1498 25 546 545 549 551
+ 1499 25 546 545 549 552
+ 1500 26 549 545 547 548
+ 1501 27 541 545 547 548
+ 1502 28 546 545 547 548
+ 1503 29 557 555 553 543
+ 1504 40 559 555 553 543
+ 1505 31 556 555 553 543
+ 1506 32 557 555 553 554
+ 1507 41 559 555 553 554
+ 1508 34 556 555 553 554
+ 1509 42 559 555 557 558
+ 1510 43 559 555 557 563
+ 1511 35 553 555 557 558
+ 1512 36 553 555 557 563
+ 1513 8 556 555 557 558
+ 1514 9 556 555 557 563
+ 1515 44 557 555 559 562
+ 1516 45 557 555 559 560
+ 1517 45 557 555 559 561
+ 1518 46 553 555 559 562
+ 1519 47 553 555 559 560
+ 1520 47 553 555 559 561
+ 1521 48 556 555 559 562
+ 1522 49 556 555 559 560
+ 1523 49 556 555 559 561
+ 1524 19 558 557 563 564
+ 1525 53 558 557 563 566
+ 1526 21 555 557 563 564
+ 1527 54 555 557 563 566
+ 1528 50 555 559 562 40
+ 1529 51 560 559 562 40
+ 1530 51 561 559 562 40
+ 1531 55 569 564 563 566
+ 1532 56 571 564 563 566
+ 1533 57 565 564 563 566
+ 1534 29 569 564 563 557
+ 1535 40 571 564 563 557
+ 1536 31 565 564 563 557
+ 1537 58 564 563 566 574
+ 1538 59 564 563 566 567
+ 1539 59 564 563 566 568
+ 1540 60 557 563 566 574
+ 1541 61 557 563 566 567
+ 1542 61 557 563 566 568
+ 1543 42 571 564 569 570
+ 1544 43 571 564 569 577
+ 1545 35 563 564 569 570
+ 1546 36 563 564 569 577
+ 1547 8 565 564 569 570
+ 1548 9 565 564 569 577
+ 1549 62 569 564 571 574
+ 1550 45 569 564 571 572
+ 1551 45 569 564 571 573
+ 1552 63 563 564 571 574
+ 1553 47 563 564 571 572
+ 1554 47 563 564 571 573
+ 1555 64 565 564 571 574
+ 1556 49 565 564 571 572
+ 1557 49 565 564 571 573
+ 1558 65 563 566 574 571
+ 1559 66 575 574 566 563
+ 1560 66 576 574 566 563
+ 1561 67 567 566 574 571
+ 1562 68 567 566 574 575
+ 1563 68 567 566 574 576
+ 1564 67 568 566 574 571
+ 1565 68 568 566 574 575
+ 1566 68 568 566 574 576
+ 1567 125 570 569 577 579
+ 1568 20 570 569 577 578
+ 1569 126 564 569 577 579
+ 1570 22 564 569 577 578
+ 1571 69 564 571 574 566
+ 1572 70 564 571 574 575
+ 1573 70 564 571 574 576
+ 1574 67 572 571 574 566
+ 1575 68 572 571 574 575
+ 1576 68 572 571 574 576
+ 1577 67 573 571 574 566
+ 1578 68 573 571 574 575
+ 1579 68 573 571 574 576
+ 1580 127 569 577 579 582
+ 1581 128 569 577 579 580
+ 1582 128 569 577 579 581
+ 1583 129 578 577 579 582
+ 1584 130 578 577 579 580
+ 1585 130 578 577 579 581
+ 1586 131 583 582 579 577
+ 1587 132 584 582 579 577
+ 1588 133 583 582 579 580
+ 1589 134 584 582 579 580
+ 1590 133 583 582 579 581
+ 1591 134 584 582 579 581
+ 1592 19 583 582 584 586
+ 1593 20 583 582 584 585
+ 1594 135 579 582 584 586
+ 1595 136 579 582 584 585
+ 1596 29 588 586 584 582
+ 1597 40 590 586 584 582
+ 1598 31 587 586 584 582
+ 1599 32 588 586 584 585
+ 1600 41 590 586 584 585
+ 1601 34 587 586 584 585
+ 1602 42 590 586 588 589
+ 1603 43 590 586 588 597
+ 1604 35 584 586 588 589
+ 1605 36 584 586 588 597
+ 1606 8 587 586 588 589
+ 1607 9 587 586 588 597
+ 1608 101 588 586 590 593
+ 1609 45 588 586 590 591
+ 1610 45 588 586 590 592
+ 1611 102 584 586 590 593
+ 1612 47 584 586 590 591
+ 1613 47 584 586 590 592
+ 1614 103 587 586 590 593
+ 1615 49 587 586 590 591
+ 1616 49 587 586 590 592
+ 1617 19 589 588 597 599
+ 1618 20 589 588 597 598
+ 1619 21 586 588 597 599
+ 1620 22 586 588 597 598
+ 1621 104 594 593 590 586
+ 1622 147 595 593 590 586
+ 1623 106 594 593 590 591
+ 1624 141 595 593 590 591
+ 1625 106 594 593 590 592
+ 1626 141 595 593 590 592
+ 1627 142 594 593 595 596
+ 1628 143 590 593 595 596
+ 1629 29 601 599 597 588
+ 1630 40 603 599 597 588
+ 1631 31 600 599 597 588
+ 1632 32 601 599 597 598
+ 1633 41 603 599 597 598
+ 1634 34 600 599 597 598
+ 1635 42 603 599 601 602
+ 1636 43 603 599 601 618
+ 1637 35 597 599 601 602
+ 1638 36 597 599 601 618
+ 1639 8 600 599 601 602
+ 1640 9 600 599 601 618
+ 1641 110 601 599 603 606
+ 1642 45 601 599 603 604
+ 1643 45 601 599 603 605
+ 1644 111 597 599 603 606
+ 1645 47 597 599 603 604
+ 1646 47 597 599 603 605
+ 1647 112 600 599 603 606
+ 1648 49 600 599 603 604
+ 1649 49 600 599 603 605
+ 1650 19 602 601 618 620
+ 1651 20 602 601 618 619
+ 1652 21 599 601 618 620
+ 1653 22 599 601 618 619
+ 1654 113 599 603 606 607
+ 1655 113 599 603 606 609
+ 1656 114 604 603 606 607
+ 1657 114 604 603 606 609
+ 1658 114 605 603 606 607
+ 1659 114 605 603 606 609
+ 1660 115 609 606 607 611
+ 1661 116 608 607 606 609
+ 1662 117 603 606 607 611
+ 1663 118 608 607 606 603
+ 1664 115 607 606 609 613
+ 1665 116 610 609 606 607
+ 1666 117 603 606 609 613
+ 1667 118 610 609 606 603
+ 1668 115 606 607 611 615
+ 1669 116 612 611 607 606
+ 1670 116 608 607 611 615
+ 1671 119 608 607 611 612
+ 1672 115 606 609 613 615
+ 1673 116 614 613 609 606
+ 1674 116 610 609 613 615
+ 1675 119 610 609 613 614
+ 1676 144 616 615 611 607
+ 1677 115 607 611 615 613
+ 1678 145 612 611 615 616
+ 1679 116 612 611 615 613
+ 1680 144 616 615 613 609
+ 1681 115 609 613 615 611
+ 1682 145 614 613 615 616
+ 1683 116 614 613 615 611
+ 1684 146 617 616 615 613
+ 1685 146 617 616 615 611
+ 1686 29 622 620 618 601
+ 1687 89 624 620 618 601
+ 1688 31 621 620 618 601
+ 1689 32 622 620 618 619
+ 1690 90 624 620 618 619
+ 1691 34 621 620 618 619
+ 1692 91 624 620 622 623
+ 1693 92 624 620 622 628
+ 1694 35 618 620 622 623
+ 1695 36 618 620 622 628
+ 1696 8 621 620 622 623
+ 1697 9 621 620 622 628
+ 1698 93 622 620 624 625
+ 1699 93 622 620 624 626
+ 1700 93 622 620 624 627
+ 1701 94 618 620 624 625
+ 1702 94 618 620 624 626
+ 1703 94 618 620 624 627
+ 1704 95 621 620 624 625
+ 1705 95 621 620 624 626
+ 1706 95 621 620 624 627
+ 1707 19 623 622 628 630
+ 1708 20 623 622 628 629
+ 1709 21 620 622 628 630
+ 1710 22 620 622 628 629
+ 1711 148 632 630 628 622
+ 1712 40 635 630 628 622
+ 1713 31 631 630 628 622
+ 1714 149 632 630 628 629
+ 1715 41 635 630 628 629
+ 1716 34 631 630 628 629
+ 1717 150 635 630 632 633
+ 1718 150 635 630 632 634
+ 1719 151 628 630 632 633
+ 1720 151 628 630 632 634
+ 1721 152 631 630 632 633
+ 1722 152 631 630 632 634
+ 1723 153 632 630 635 638
+ 1724 154 632 630 635 636
+ 1725 154 632 630 635 637
+ 1726 102 628 630 635 638
+ 1727 47 628 630 635 636
+ 1728 47 628 630 635 637
+ 1729 103 631 630 635 638
+ 1730 49 631 630 635 636
+ 1731 49 631 630 635 637
+ 1732 104 639 638 635 630
+ 1733 105 640 638 635 630
+ 1734 106 639 638 635 636
+ 1735 107 640 638 635 636
+ 1736 106 639 638 635 637
+ 1737 107 640 638 635 637
+ 1738 108 639 638 640 641
+ 1739 108 639 638 640 642
+ 1740 109 635 638 640 641
+ 1741 109 635 638 640 642
+
+Impropers
+
+ 1 1 5 7 17 8
+ 2 2 18 17 19 7
+ 3 1 19 21 31 22
+ 4 2 32 31 33 21
+ 5 1 33 35 41 36
+ 6 2 42 41 43 35
+ 7 1 43 45 51 46
+ 8 3 45 51 52 54
+ 9 1 52 57 65 58
+ 10 2 66 65 67 57
+ 11 1 67 69 76 70
+ 12 2 77 76 78 69
+ 13 1 78 80 95 81
+ 14 2 96 95 97 80
+ 15 1 97 99 111 100
+ 16 2 112 111 113 99
+ 17 1 113 115 121 116
+ 18 2 122 121 123 115
+ 19 1 123 125 144 126
+ 20 4 136 137 141 138
+ 21 5 139 138 140 137
+ 22 5 142 141 143 137
+ 23 2 145 144 146 125
+ 24 1 146 148 155 149
+ 25 2 156 155 157 148
+ 26 1 157 159 169 160
+ 27 6 161 164 166 165
+ 28 7 167 166 168 164
+ 29 2 170 169 171 159
+ 30 1 171 173 189 174
+ 31 8 175 178 181 179
+ 32 9 180 179 178 183
+ 33 9 182 181 185 178
+ 34 9 184 183 179 187
+ 35 9 186 185 187 181
+ 36 9 188 187 183 185
+ 37 2 190 189 191 173
+ 38 1 191 193 203 194
+ 39 6 195 198 200 199
+ 40 7 201 200 202 198
+ 41 2 204 203 205 193
+ 42 1 205 207 219 208
+ 43 2 220 219 221 207
+ 44 1 221 223 229 224
+ 45 2 230 229 231 223
+ 46 1 231 233 252 234
+ 47 4 244 245 249 246
+ 48 5 247 246 248 245
+ 49 5 250 249 251 245
+ 50 2 253 252 254 233
+ 51 1 254 256 271 257
+ 52 3 256 271 272 274
+ 53 1 272 277 285 278
+ 54 10 286 285 287 277
+ 55 11 287 290 292 291
+ 56 2 293 292 294 290
+ 57 1 294 296 306 297
+ 58 3 296 306 307 309
+ 59 1 307 312 320 313
+ 60 2 321 320 322 312
+ 61 1 322 324 336 325
+ 62 12 329 332 333 334
+ 63 2 337 336 338 324
+ 64 1 338 340 346 341
+ 65 2 347 346 348 340
+ 66 1 348 350 365 351
+ 67 2 366 365 367 350
+ 68 1 367 369 375 370
+ 69 2 376 375 377 369
+ 70 1 377 379 385 380
+ 71 2 386 385 387 379
+ 72 1 387 389 399 390
+ 73 2 400 399 401 389
+ 74 1 401 403 420 404
+ 75 8 405 408 411 409
+ 76 9 410 409 408 413
+ 77 9 412 411 415 408
+ 78 9 414 413 409 417
+ 79 9 416 415 417 411
+ 80 13 418 417 415 413
+ 81 2 421 420 422 403
+ 82 1 422 424 434 425
+ 83 10 435 434 436 424
+ 84 11 436 439 441 440
+ 85 2 442 441 443 439
+ 86 1 443 445 451 446
+ 87 2 452 451 453 445
+ 88 1 453 455 470 456
+ 89 2 471 470 472 455
+ 90 1 472 474 489 475
+ 91 2 490 489 491 474
+ 92 1 491 493 508 494
+ 93 3 493 508 509 511
+ 94 1 509 514 522 515
+ 95 10 523 522 524 514
+ 96 11 524 527 529 528
+ 97 2 530 529 531 527
+ 98 1 531 533 539 534
+ 99 2 540 539 541 533
+ 100 1 541 543 553 544
+ 101 2 554 553 555 543
+ 102 1 555 557 563 558
+ 103 3 557 563 564 566
+ 104 1 564 569 577 570
+ 105 10 578 577 579 569
+ 106 11 579 582 584 583
+ 107 2 585 584 586 582
+ 108 1 586 588 597 589
+ 109 12 590 593 594 595
+ 110 2 598 597 599 588
+ 111 1 599 601 618 602
+ 112 8 603 606 609 607
+ 113 9 608 607 606 611
+ 114 9 610 609 613 606
+ 115 9 612 611 607 615
+ 116 9 614 613 615 609
+ 117 13 616 615 613 611
+ 118 2 619 618 620 601
+ 119 1 620 622 628 623
+ 120 2 629 628 630 622
+ 121 14 630 632 634 633
+ 122 6 635 638 640 639
+ 123 7 641 640 642 638
+
diff --git a/tools/msi2lmp/test/correct/data.nylon b/tools/msi2lmp/test/correct/data.nylon
new file mode 100644
index 0000000000..0ebeb8c640
--- /dev/null
+++ b/tools/msi2lmp/test/correct/data.nylon
@@ -0,0 +1,898 @@
+LAMMPS data file for nylon
+
+ 117 atoms
+ 116 bonds
+ 219 angles
+ 311 dihedrals
+ 11 impropers
+
+ 8 atom types
+ 10 bond types
+ 19 angle types
+ 25 dihedral types
+ 3 improper types
+
+ -2.085999966 11.720000267 xlo xhi
+ 3.098999977 22.469999313 ylo yhi
+ -1.845999956 35.515998840 zlo zhi
+
+Masses
+
+ 1 12.011150
+ 2 14.006700
+ 3 12.011150
+ 4 15.999400
+ 5 1.007970
+ 6 1.007970
+ 7 15.999400
+ 8 14.006700
+
+Nonbond Coeffs
+
+ 1 0.0389999952 3.8754094636
+ 2 0.1669999743 3.5012320066
+ 3 0.1479999981 3.6170487995
+ 4 0.2280000124 2.8597848722
+ 5 0.0380000011 2.4499714540
+ 6 0.0000000000 0.0000000000
+ 7 0.2280000124 2.8597848722
+ 8 0.1669999743 3.5012320066
+
+Bond Coeffs
+
+ 1 322.7158 1.5260
+ 2 340.6175 1.1050
+ 3 356.5988 1.4700
+ 4 377.5752 1.4600
+ 5 388.0000 1.3200
+ 6 483.4512 1.0260
+ 7 615.3220 1.2300
+ 8 283.0924 1.5200
+ 9 540.0000 1.2500
+ 10 457.4592 1.0260
+
+Angle Coeffs
+
+ 1 44.4000 110.0000
+ 2 50.0000 109.5000
+ 3 39.5000 106.4000
+ 4 57.3000 109.5000
+ 5 46.6000 110.5000
+ 6 50.0000 109.5000
+ 7 51.5000 109.5000
+ 8 111.0000 118.0000
+ 9 35.0000 122.0000
+ 10 37.5000 115.0000
+ 11 68.0000 120.0000
+ 12 53.5000 114.1000
+ 13 68.0000 120.0000
+ 14 46.6000 110.5000
+ 15 45.0000 109.5000
+ 16 68.0000 120.0000
+ 17 145.0000 123.0000
+ 18 41.6000 110.0000
+ 19 36.0000 105.5000
+
+Dihedral Coeffs
+
+ 1 0.1581 1.0000 3.0000
+ 2 0.1581 1.0000 3.0000
+ 3 0.1581 1.0000 3.0000
+ 4 0.1581 1.0000 3.0000
+ 5 0.0889 1.0000 3.0000
+ 6 0.0889 1.0000 3.0000
+ 7 0.1581 1.0000 3.0000
+ 8 0.1581 1.0000 3.0000
+ 9 0.1581 1.0000 3.0000
+ 10 0.0000 1.0000 0.0000
+ 11 0.0000 1.0000 0.0000
+ 12 0.0000 1.0000 0.0000
+ 13 0.0000 1.0000 0.0000
+ 14 3.8000 -1.0000 2.0000
+ 15 3.2000 -1.0000 2.0000
+ 16 1.8000 -1.0000 2.0000
+ 17 1.2000 -1.0000 2.0000
+ 18 0.0000 1.0000 0.0000
+ 19 0.0000 1.0000 0.0000
+ 20 0.0000 1.0000 0.0000
+ 21 0.0000 1.0000 0.0000
+ 22 0.1581 1.0000 3.0000
+ 23 0.1581 1.0000 3.0000
+ 24 0.0000 1.0000 0.0000
+ 25 0.0000 1.0000 0.0000
+
+Improper Coeffs
+
+ 1 10.0000 -1.0000 2.0000
+ 2 10.0000 -1.0000 2.0000
+ 3 11.6000 -1.0000 2.0000
+
+Atoms
+
+ 1 0 1 0.220000 1.493000031 20.593999863 -0.449999988
+ 2 0 1 -0.200000 2.328000069 19.871000290 0.623000026
+ 3 0 1 -0.200000 2.887000084 20.902999878 1.621000051
+ 4 0 1 -0.200000 3.533999920 20.169000626 2.809999943
+ 5 0 1 -0.200000 4.085000038 21.201000214 3.812999964
+ 6 0 1 0.020000 4.731999874 20.466999054 5.001999855
+ 7 0 2 -0.500000 5.270999908 21.479000092 5.985000134
+ 8 0 3 0.380000 6.477000237 21.142000198 6.829999924
+ 9 0 4 -0.380000 7.435999870 22.232000351 7.244999886
+ 10 0 1 -0.200000 6.728000164 19.687000275 7.267000198
+ 11 0 1 -0.200000 7.763999939 19.665000916 8.406999588
+ 12 0 1 -0.200000 7.464000225 18.486000061 9.350999832
+ 13 0 1 -0.200000 8.416000366 18.541000366 10.560999870
+ 14 0 3 0.380000 8.112999916 17.364999771 11.506999969
+ 15 0 4 -0.380000 6.711999893 16.809000015 11.597000122
+ 16 0 5 0.100000 2.111000061 20.704999924 -1.401000023
+ 17 0 5 0.100000 1.195999980 21.625999451 -0.067000002
+ 18 0 5 0.100000 3.191999912 19.319000244 0.125000000
+ 19 0 5 0.100000 1.669999957 19.124000549 1.179000020
+ 20 0 5 0.100000 3.670000076 21.548999786 1.101999998
+ 21 0 5 0.100000 2.039000034 21.563999176 1.998999953
+ 22 0 5 0.100000 4.388000011 19.513999939 2.434000015
+ 23 0 5 0.100000 2.753999949 19.517999649 3.325999975
+ 24 0 5 0.100000 4.866000175 21.853000641 3.298000097
+ 25 0 5 0.100000 3.232000113 21.857000351 4.190000057
+ 26 0 5 0.100000 5.585000038 19.811000824 4.625999928
+ 27 0 5 0.100000 3.951999903 19.815999985 5.518000126
+ 28 0 6 0.280000 4.782000065 22.469999313 6.085999966
+ 29 0 5 0.100000 7.124000072 19.086999893 6.382999897
+ 30 0 5 0.100000 5.751999855 19.225000381 7.632999897
+ 31 0 5 0.100000 8.809000015 19.542999268 7.967999935
+ 32 0 5 0.100000 7.709000111 20.642000198 8.989999771
+ 33 0 5 0.100000 7.614999771 17.503000259 8.793999672
+ 34 0 5 0.100000 6.385000229 18.555000305 9.713999748
+ 35 0 5 0.100000 9.494999886 18.468999863 10.199000359
+ 36 0 5 0.100000 8.267000198 19.524000168 11.118000031
+ 37 0 2 -0.500000 9.217000008 16.766000748 12.345000267
+ 38 0 1 0.020000 8.902999878 16.179000854 13.701000214
+ 39 0 1 -0.200000 9.892000198 15.039999962 14.008999825
+ 40 0 1 -0.200000 9.138999939 13.871000290 14.671999931
+ 41 0 1 -0.200000 10.074000359 12.652999878 14.779999733
+ 42 0 1 -0.200000 9.317999840 11.480999947 15.434000015
+ 43 0 1 0.020000 10.253000259 10.262000084 15.543000221
+ 44 0 2 -0.500000 9.512000084 9.114000320 16.184000015
+ 45 0 3 0.380000 10.263999939 8.095999718 17.007999420
+ 46 0 4 -0.380000 11.720000267 8.319999695 17.337999344
+ 47 0 1 -0.200000 9.545000076 6.831999779 17.513000488
+ 48 0 1 -0.200000 10.385999680 6.170000076 18.621000290
+ 49 0 1 -0.200000 9.451999664 5.482999802 19.634000778
+ 50 0 1 -0.200000 10.281999588 4.934999943 20.809999466
+ 51 0 5 0.100000 10.808575630 5.755126953 21.298067093
+ 52 0 5 0.100000 11.006152153 4.209916592 20.438573837
+ 53 0 3 0.380000 9.347999573 4.250999928 21.825000763
+ 54 0 4 -0.380000 9.854000092 3.098999977 22.659999847
+ 55 0 6 0.280000 10.260000229 16.757999420 11.965000153
+ 56 0 5 0.100000 8.998000145 16.989000320 14.496999741
+ 57 0 5 0.100000 7.839000225 15.769000053 13.699999809
+ 58 0 5 0.100000 10.701999664 15.418999672 14.715999603
+ 59 0 5 0.100000 10.373000145 14.680000305 13.039999962
+ 60 0 5 0.100000 8.796999931 14.180999756 15.713999748
+ 61 0 5 0.100000 8.229999542 13.597000122 14.039999962
+ 62 0 5 0.100000 10.979000092 12.923000336 15.418000221
+ 63 0 5 0.100000 10.421999931 12.345999718 13.739000320
+ 64 0 5 0.100000 8.970999718 11.786999702 16.475999832
+ 65 0 5 0.100000 8.413000107 11.208999634 14.796999931
+ 66 0 5 0.100000 11.159000397 10.532999992 16.180000305
+ 67 0 5 0.100000 10.600999832 9.956000328 14.501000404
+ 68 0 6 0.280000 8.413999557 9.017000198 16.048999786
+ 69 0 5 0.100000 9.411000252 6.098999977 16.649999619
+ 70 0 5 0.100000 8.522999763 7.116000175 17.930999756
+ 71 0 5 0.100000 11.081000328 5.394000053 18.159000397
+ 72 0 5 0.100000 11.005000114 6.965000153 19.155000687
+ 73 0 5 0.100000 8.904000282 4.623000145 19.124000549
+ 74 0 5 0.100000 8.692000389 6.237999916 20.024999619
+ 75 0 2 -0.500000 7.925000191 4.731999874 21.985000610
+ 76 0 1 0.020000 7.053999901 4.160999775 23.077999115
+ 77 0 1 -0.200000 6.034999847 5.223000050 23.531999588
+ 78 0 1 -0.200000 5.895999908 5.179999828 25.065000534
+ 79 0 1 -0.200000 5.052000046 6.377999783 25.538000107
+ 80 0 1 -0.200000 4.921000004 6.340000153 27.072000504
+ 81 0 1 0.020000 4.077000141 7.538000107 27.545999527
+ 82 0 2 -0.500000 3.948999882 7.500999928 29.049999237
+ 83 0 3 0.380000 2.717999935 8.065999985 29.716999054
+ 84 0 4 -0.380000 1.600000024 8.638999939 28.878000259
+ 85 0 1 -0.200000 2.601000071 8.059000015 31.252000809
+ 86 0 1 -0.200000 1.139000058 8.319000244 31.658000946
+ 87 0 1 -0.200000 0.828000009 7.570000172 32.967998505
+ 88 0 1 -0.200000 -0.667999983 7.721000195 33.304000854
+ 89 0 3 0.450000 -0.978999972 6.969999790 34.611000061
+ 90 0 7 -0.500000 -2.085999966 7.455999851 35.515998840
+ 91 0 6 0.280000 7.519999981 5.506000042 21.299999237
+ 92 0 5 0.100000 6.498000145 3.246999979 22.683000565
+ 93 0 5 0.100000 7.703999996 3.855999947 23.962999344
+ 94 0 5 0.100000 5.022999763 5.008999825 23.052999496
+ 95 0 5 0.100000 6.395999908 6.256000042 23.211999893
+ 96 0 5 0.100000 5.383999825 4.209000111 25.372999191
+ 97 0 5 0.100000 6.929999828 5.231999874 25.541999817
+ 98 0 5 0.100000 4.014999866 6.322000027 25.068000793
+ 99 0 5 0.100000 5.559999943 7.348999977 25.224000931
+ 100 0 5 0.100000 4.413000107 5.369999886 27.386999130
+ 101 0 5 0.100000 5.958000183 6.395999908 27.544000626
+ 102 0 5 0.100000 3.039999962 7.482999802 27.075000763
+ 103 0 5 0.100000 4.585000038 8.508999825 27.232000351
+ 104 0 6 0.280000 4.760000229 7.059000015 29.665000916
+ 105 0 5 0.100000 3.266999960 8.875000000 31.687999725
+ 106 0 5 0.100000 2.931999922 7.044000149 31.653999329
+ 107 0 5 0.100000 0.980000019 9.437000275 31.813999176
+ 108 0 5 0.100000 0.442999989 7.947999954 30.834999084
+ 109 0 5 0.100000 1.452999949 8.008000374 33.813999176
+ 110 0 5 0.100000 1.078999996 6.465000153 32.842998505
+ 111 0 5 0.100000 -0.919000030 8.826000214 33.431999207
+ 112 0 5 0.100000 -1.294000030 7.285999775 32.457000732
+ 113 0 7 -0.500000 -0.179000005 5.745999813 34.987998962
+ 114 0 8 -0.500000 0.250000000 19.790000916 -0.746999979
+ 115 0 6 0.360000 0.118000001 19.704999924 -1.845999956
+ 116 0 6 0.360000 -0.634000003 20.298000336 -0.307000011
+ 117 0 6 0.360000 0.349999994 18.775999069 -0.307000011
+
+Bonds
+
+ 1 1 1 2
+ 2 2 1 16
+ 3 2 1 17
+ 4 3 1 114
+ 5 1 2 3
+ 6 2 2 18
+ 7 2 2 19
+ 8 1 3 4
+ 9 2 3 20
+ 10 2 3 21
+ 11 1 4 5
+ 12 2 4 22
+ 13 2 4 23
+ 14 1 5 6
+ 15 2 5 24
+ 16 2 5 25
+ 17 4 6 7
+ 18 2 6 26
+ 19 2 6 27
+ 20 5 7 8
+ 21 6 7 28
+ 22 7 8 9
+ 23 8 10 8
+ 24 1 10 11
+ 25 2 10 29
+ 26 2 10 30
+ 27 1 11 12
+ 28 2 11 31
+ 29 2 11 32
+ 30 1 12 13
+ 31 2 12 33
+ 32 2 12 34
+ 33 8 13 14
+ 34 2 13 35
+ 35 2 13 36
+ 36 7 14 15
+ 37 5 37 14
+ 38 4 38 37
+ 39 6 37 55
+ 40 1 38 39
+ 41 2 38 56
+ 42 2 38 57
+ 43 1 39 40
+ 44 2 39 58
+ 45 2 39 59
+ 46 1 40 41
+ 47 2 40 60
+ 48 2 40 61
+ 49 1 41 42
+ 50 2 41 62
+ 51 2 41 63
+ 52 1 42 43
+ 53 2 42 64
+ 54 2 42 65
+ 55 4 43 44
+ 56 2 43 66
+ 57 2 43 67
+ 58 5 44 45
+ 59 6 44 68
+ 60 7 45 46
+ 61 8 47 45
+ 62 1 47 48
+ 63 2 47 69
+ 64 2 47 70
+ 65 1 48 49
+ 66 2 48 71
+ 67 2 48 72
+ 68 1 49 50
+ 69 2 49 73
+ 70 2 49 74
+ 71 8 50 53
+ 72 2 50 51
+ 73 2 50 52
+ 74 7 53 54
+ 75 5 75 53
+ 76 4 76 75
+ 77 6 75 91
+ 78 1 76 77
+ 79 2 76 92
+ 80 2 76 93
+ 81 1 77 78
+ 82 2 77 94
+ 83 2 77 95
+ 84 1 78 79
+ 85 2 78 96
+ 86 2 78 97
+ 87 1 79 80
+ 88 2 79 98
+ 89 2 79 99
+ 90 1 80 81
+ 91 2 80 100
+ 92 2 80 101
+ 93 4 81 82
+ 94 2 81 102
+ 95 2 81 103
+ 96 5 82 83
+ 97 6 82 104
+ 98 7 83 84
+ 99 8 85 83
+ 100 1 85 86
+ 101 2 85 105
+ 102 2 85 106
+ 103 1 86 87
+ 104 2 86 107
+ 105 2 86 108
+ 106 1 87 88
+ 107 2 87 109
+ 108 2 87 110
+ 109 8 88 89
+ 110 2 88 111
+ 111 2 88 112
+ 112 9 89 90
+ 113 9 89 113
+ 114 10 115 114
+ 115 10 116 114
+ 116 10 117 114
+
+Angles
+
+ 1 1 2 1 16
+ 2 1 2 1 17
+ 3 2 2 1 114
+ 4 3 16 1 17
+ 5 4 16 1 114
+ 6 4 17 1 114
+ 7 5 1 2 3
+ 8 1 1 2 18
+ 9 1 1 2 19
+ 10 1 3 2 18
+ 11 1 3 2 19
+ 12 3 18 2 19
+ 13 5 2 3 4
+ 14 1 2 3 20
+ 15 1 2 3 21
+ 16 1 4 3 20
+ 17 1 4 3 21
+ 18 3 20 3 21
+ 19 5 3 4 5
+ 20 1 3 4 22
+ 21 1 3 4 23
+ 22 1 5 4 22
+ 23 1 5 4 23
+ 24 3 22 4 23
+ 25 5 4 5 6
+ 26 1 4 5 24
+ 27 1 4 5 25
+ 28 1 6 5 24
+ 29 1 6 5 25
+ 30 3 24 5 25
+ 31 6 5 6 7
+ 32 1 5 6 26
+ 33 1 5 6 27
+ 34 7 7 6 26
+ 35 7 7 6 27
+ 36 3 26 6 27
+ 37 8 6 7 8
+ 38 9 6 7 28
+ 39 10 8 7 28
+ 40 11 7 8 9
+ 41 12 10 8 7
+ 42 13 10 8 9
+ 43 14 11 10 8
+ 44 15 8 10 29
+ 45 15 8 10 30
+ 46 1 11 10 29
+ 47 1 11 10 30
+ 48 3 29 10 30
+ 49 5 10 11 12
+ 50 1 10 11 31
+ 51 1 10 11 32
+ 52 1 12 11 31
+ 53 1 12 11 32
+ 54 3 31 11 32
+ 55 5 11 12 13
+ 56 1 11 12 33
+ 57 1 11 12 34
+ 58 1 13 12 33
+ 59 1 13 12 34
+ 60 3 33 12 34
+ 61 14 12 13 14
+ 62 1 12 13 35
+ 63 1 12 13 36
+ 64 15 14 13 35
+ 65 15 14 13 36
+ 66 3 35 13 36
+ 67 13 13 14 15
+ 68 12 13 14 37
+ 69 11 37 14 15
+ 70 8 38 37 14
+ 71 10 14 37 55
+ 72 9 38 37 55
+ 73 6 39 38 37
+ 74 7 37 38 56
+ 75 7 37 38 57
+ 76 1 39 38 56
+ 77 1 39 38 57
+ 78 3 56 38 57
+ 79 5 38 39 40
+ 80 1 38 39 58
+ 81 1 38 39 59
+ 82 1 40 39 58
+ 83 1 40 39 59
+ 84 3 58 39 59
+ 85 5 39 40 41
+ 86 1 39 40 60
+ 87 1 39 40 61
+ 88 1 41 40 60
+ 89 1 41 40 61
+ 90 3 60 40 61
+ 91 5 40 41 42
+ 92 1 40 41 62
+ 93 1 40 41 63
+ 94 1 42 41 62
+ 95 1 42 41 63
+ 96 3 62 41 63
+ 97 5 41 42 43
+ 98 1 41 42 64
+ 99 1 41 42 65
+ 100 1 43 42 64
+ 101 1 43 42 65
+ 102 3 64 42 65
+ 103 6 42 43 44
+ 104 1 42 43 66
+ 105 1 42 43 67
+ 106 7 44 43 66
+ 107 7 44 43 67
+ 108 3 66 43 67
+ 109 8 43 44 45
+ 110 9 43 44 68
+ 111 10 45 44 68
+ 112 11 44 45 46
+ 113 12 47 45 44
+ 114 13 47 45 46
+ 115 14 48 47 45
+ 116 15 45 47 69
+ 117 15 45 47 70
+ 118 1 48 47 69
+ 119 1 48 47 70
+ 120 3 69 47 70
+ 121 5 47 48 49
+ 122 1 47 48 71
+ 123 1 47 48 72
+ 124 1 49 48 71
+ 125 1 49 48 72
+ 126 3 71 48 72
+ 127 5 48 49 50
+ 128 1 48 49 73
+ 129 1 48 49 74
+ 130 1 50 49 73
+ 131 1 50 49 74
+ 132 3 73 49 74
+ 133 14 49 50 53
+ 134 1 49 50 51
+ 135 1 49 50 52
+ 136 15 53 50 51
+ 137 15 53 50 52
+ 138 3 51 50 52
+ 139 13 50 53 54
+ 140 12 50 53 75
+ 141 11 75 53 54
+ 142 8 76 75 53
+ 143 10 53 75 91
+ 144 9 76 75 91
+ 145 6 77 76 75
+ 146 7 75 76 92
+ 147 7 75 76 93
+ 148 1 77 76 92
+ 149 1 77 76 93
+ 150 3 92 76 93
+ 151 5 76 77 78
+ 152 1 76 77 94
+ 153 1 76 77 95
+ 154 1 78 77 94
+ 155 1 78 77 95
+ 156 3 94 77 95
+ 157 5 77 78 79
+ 158 1 77 78 96
+ 159 1 77 78 97
+ 160 1 79 78 96
+ 161 1 79 78 97
+ 162 3 96 78 97
+ 163 5 78 79 80
+ 164 1 78 79 98
+ 165 1 78 79 99
+ 166 1 80 79 98
+ 167 1 80 79 99
+ 168 3 98 79 99
+ 169 5 79 80 81
+ 170 1 79 80 100
+ 171 1 79 80 101
+ 172 1 81 80 100
+ 173 1 81 80 101
+ 174 3 100 80 101
+ 175 6 80 81 82
+ 176 1 80 81 102
+ 177 1 80 81 103
+ 178 7 82 81 102
+ 179 7 82 81 103
+ 180 3 102 81 103
+ 181 8 81 82 83
+ 182 9 81 82 104
+ 183 10 83 82 104
+ 184 11 82 83 84
+ 185 12 85 83 82
+ 186 13 85 83 84
+ 187 14 86 85 83
+ 188 15 83 85 105
+ 189 15 83 85 106
+ 190 1 86 85 105
+ 191 1 86 85 106
+ 192 3 105 85 106
+ 193 5 85 86 87
+ 194 1 85 86 107
+ 195 1 85 86 108
+ 196 1 87 86 107
+ 197 1 87 86 108
+ 198 3 107 86 108
+ 199 5 86 87 88
+ 200 1 86 87 109
+ 201 1 86 87 110
+ 202 1 88 87 109
+ 203 1 88 87 110
+ 204 3 109 87 110
+ 205 14 87 88 89
+ 206 1 87 88 111
+ 207 1 87 88 112
+ 208 15 89 88 111
+ 209 15 89 88 112
+ 210 3 111 88 112
+ 211 16 88 89 90
+ 212 16 88 89 113
+ 213 17 90 89 113
+ 214 18 1 114 115
+ 215 18 1 114 116
+ 216 18 1 114 117
+ 217 19 115 114 116
+ 218 19 115 114 117
+ 219 19 116 114 117
+
+Dihedrals
+
+ 1 1 3 2 1 16
+ 2 2 16 1 2 18
+ 3 2 16 1 2 19
+ 4 1 3 2 1 17
+ 5 2 17 1 2 18
+ 6 2 17 1 2 19
+ 7 3 3 2 1 114
+ 8 4 18 2 1 114
+ 9 4 19 2 1 114
+ 10 5 2 1 114 115
+ 11 5 2 1 114 116
+ 12 5 2 1 114 117
+ 13 6 16 1 114 115
+ 14 6 16 1 114 116
+ 15 6 16 1 114 117
+ 16 6 17 1 114 115
+ 17 6 17 1 114 116
+ 18 6 17 1 114 117
+ 19 7 1 2 3 4
+ 20 1 1 2 3 20
+ 21 1 1 2 3 21
+ 22 1 4 3 2 18
+ 23 2 18 2 3 20
+ 24 2 18 2 3 21
+ 25 1 4 3 2 19
+ 26 2 19 2 3 20
+ 27 2 19 2 3 21
+ 28 7 2 3 4 5
+ 29 1 2 3 4 22
+ 30 1 2 3 4 23
+ 31 1 5 4 3 20
+ 32 2 20 3 4 22
+ 33 2 20 3 4 23
+ 34 1 5 4 3 21
+ 35 2 21 3 4 22
+ 36 2 21 3 4 23
+ 37 7 3 4 5 6
+ 38 1 3 4 5 24
+ 39 1 3 4 5 25
+ 40 1 6 5 4 22
+ 41 2 22 4 5 24
+ 42 2 22 4 5 25
+ 43 1 6 5 4 23
+ 44 2 23 4 5 24
+ 45 2 23 4 5 25
+ 46 8 4 5 6 7
+ 47 1 4 5 6 26
+ 48 1 4 5 6 27
+ 49 9 7 6 5 24
+ 50 2 24 5 6 26
+ 51 2 24 5 6 27
+ 52 9 7 6 5 25
+ 53 2 25 5 6 26
+ 54 2 25 5 6 27
+ 55 10 5 6 7 8
+ 56 11 5 6 7 28
+ 57 12 26 6 7 8
+ 58 13 26 6 7 28
+ 59 12 27 6 7 8
+ 60 13 27 6 7 28
+ 61 14 6 7 8 9
+ 62 15 6 7 8 10
+ 63 16 28 7 8 9
+ 64 17 28 7 8 10
+ 65 18 11 10 8 7
+ 66 19 29 10 8 7
+ 67 19 30 10 8 7
+ 68 20 11 10 8 9
+ 69 21 29 10 8 9
+ 70 21 30 10 8 9
+ 71 22 12 11 10 8
+ 72 23 8 10 11 31
+ 73 23 8 10 11 32
+ 74 1 12 11 10 29
+ 75 2 29 10 11 31
+ 76 2 29 10 11 32
+ 77 1 12 11 10 30
+ 78 2 30 10 11 31
+ 79 2 30 10 11 32
+ 80 7 10 11 12 13
+ 81 1 10 11 12 33
+ 82 1 10 11 12 34
+ 83 1 13 12 11 31
+ 84 2 31 11 12 33
+ 85 2 31 11 12 34
+ 86 1 13 12 11 32
+ 87 2 32 11 12 33
+ 88 2 32 11 12 34
+ 89 22 11 12 13 14
+ 90 1 11 12 13 35
+ 91 1 11 12 13 36
+ 92 23 14 13 12 33
+ 93 2 33 12 13 35
+ 94 2 33 12 13 36
+ 95 23 14 13 12 34
+ 96 2 34 12 13 35
+ 97 2 34 12 13 36
+ 98 20 12 13 14 15
+ 99 18 12 13 14 37
+ 100 21 35 13 14 15
+ 101 19 35 13 14 37
+ 102 21 36 13 14 15
+ 103 19 36 13 14 37
+ 104 15 38 37 14 13
+ 105 17 55 37 14 13
+ 106 14 38 37 14 15
+ 107 16 55 37 14 15
+ 108 10 39 38 37 14
+ 109 12 56 38 37 14
+ 110 12 57 38 37 14
+ 111 11 39 38 37 55
+ 112 13 56 38 37 55
+ 113 13 57 38 37 55
+ 114 8 40 39 38 37
+ 115 9 37 38 39 58
+ 116 9 37 38 39 59
+ 117 1 40 39 38 56
+ 118 2 56 38 39 58
+ 119 2 56 38 39 59
+ 120 1 40 39 38 57
+ 121 2 57 38 39 58
+ 122 2 57 38 39 59
+ 123 7 38 39 40 41
+ 124 1 38 39 40 60
+ 125 1 38 39 40 61
+ 126 1 41 40 39 58
+ 127 2 58 39 40 60
+ 128 2 58 39 40 61
+ 129 1 41 40 39 59
+ 130 2 59 39 40 60
+ 131 2 59 39 40 61
+ 132 7 39 40 41 42
+ 133 1 39 40 41 62
+ 134 1 39 40 41 63
+ 135 1 42 41 40 60
+ 136 2 60 40 41 62
+ 137 2 60 40 41 63
+ 138 1 42 41 40 61
+ 139 2 61 40 41 62
+ 140 2 61 40 41 63
+ 141 7 40 41 42 43
+ 142 1 40 41 42 64
+ 143 1 40 41 42 65
+ 144 1 43 42 41 62
+ 145 2 62 41 42 64
+ 146 2 62 41 42 65
+ 147 1 43 42 41 63
+ 148 2 63 41 42 64
+ 149 2 63 41 42 65
+ 150 8 41 42 43 44
+ 151 1 41 42 43 66
+ 152 1 41 42 43 67
+ 153 9 44 43 42 64
+ 154 2 64 42 43 66
+ 155 2 64 42 43 67
+ 156 9 44 43 42 65
+ 157 2 65 42 43 66
+ 158 2 65 42 43 67
+ 159 10 42 43 44 45
+ 160 11 42 43 44 68
+ 161 12 66 43 44 45
+ 162 13 66 43 44 68
+ 163 12 67 43 44 45
+ 164 13 67 43 44 68
+ 165 14 43 44 45 46
+ 166 15 43 44 45 47
+ 167 16 68 44 45 46
+ 168 17 68 44 45 47
+ 169 18 48 47 45 44
+ 170 19 69 47 45 44
+ 171 19 70 47 45 44
+ 172 20 48 47 45 46
+ 173 21 69 47 45 46
+ 174 21 70 47 45 46
+ 175 22 49 48 47 45
+ 176 23 45 47 48 71
+ 177 23 45 47 48 72
+ 178 1 49 48 47 69
+ 179 2 69 47 48 71
+ 180 2 69 47 48 72
+ 181 1 49 48 47 70
+ 182 2 70 47 48 71
+ 183 2 70 47 48 72
+ 184 7 47 48 49 50
+ 185 1 47 48 49 73
+ 186 1 47 48 49 74
+ 187 1 50 49 48 71
+ 188 2 71 48 49 73
+ 189 2 71 48 49 74
+ 190 1 50 49 48 72
+ 191 2 72 48 49 73
+ 192 2 72 48 49 74
+ 193 22 48 49 50 53
+ 194 1 48 49 50 51
+ 195 1 48 49 50 52
+ 196 23 53 50 49 73
+ 197 2 73 49 50 51
+ 198 2 73 49 50 52
+ 199 23 53 50 49 74
+ 200 2 74 49 50 51
+ 201 2 74 49 50 52
+ 202 20 49 50 53 54
+ 203 18 49 50 53 75
+ 204 21 51 50 53 54
+ 205 19 51 50 53 75
+ 206 21 52 50 53 54
+ 207 19 52 50 53 75
+ 208 15 76 75 53 50
+ 209 17 91 75 53 50
+ 210 14 76 75 53 54
+ 211 16 91 75 53 54
+ 212 10 77 76 75 53
+ 213 12 92 76 75 53
+ 214 12 93 76 75 53
+ 215 11 77 76 75 91
+ 216 13 92 76 75 91
+ 217 13 93 76 75 91
+ 218 8 78 77 76 75
+ 219 9 75 76 77 94
+ 220 9 75 76 77 95
+ 221 1 78 77 76 92
+ 222 2 92 76 77 94
+ 223 2 92 76 77 95
+ 224 1 78 77 76 93
+ 225 2 93 76 77 94
+ 226 2 93 76 77 95
+ 227 7 76 77 78 79
+ 228 1 76 77 78 96
+ 229 1 76 77 78 97
+ 230 1 79 78 77 94
+ 231 2 94 77 78 96
+ 232 2 94 77 78 97
+ 233 1 79 78 77 95
+ 234 2 95 77 78 96
+ 235 2 95 77 78 97
+ 236 7 77 78 79 80
+ 237 1 77 78 79 98
+ 238 1 77 78 79 99
+ 239 1 80 79 78 96
+ 240 2 96 78 79 98
+ 241 2 96 78 79 99
+ 242 1 80 79 78 97
+ 243 2 97 78 79 98
+ 244 2 97 78 79 99
+ 245 7 78 79 80 81
+ 246 1 78 79 80 100
+ 247 1 78 79 80 101
+ 248 1 81 80 79 98
+ 249 2 98 79 80 100
+ 250 2 98 79 80 101
+ 251 1 81 80 79 99
+ 252 2 99 79 80 100
+ 253 2 99 79 80 101
+ 254 8 79 80 81 82
+ 255 1 79 80 81 102
+ 256 1 79 80 81 103
+ 257 9 82 81 80 100
+ 258 2 100 80 81 102
+ 259 2 100 80 81 103
+ 260 9 82 81 80 101
+ 261 2 101 80 81 102
+ 262 2 101 80 81 103
+ 263 10 80 81 82 83
+ 264 11 80 81 82 104
+ 265 12 102 81 82 83
+ 266 13 102 81 82 104
+ 267 12 103 81 82 83
+ 268 13 103 81 82 104
+ 269 14 81 82 83 84
+ 270 15 81 82 83 85
+ 271 16 104 82 83 84
+ 272 17 104 82 83 85
+ 273 18 86 85 83 82
+ 274 19 105 85 83 82
+ 275 19 106 85 83 82
+ 276 20 86 85 83 84
+ 277 21 105 85 83 84
+ 278 21 106 85 83 84
+ 279 22 87 86 85 83
+ 280 23 83 85 86 107
+ 281 23 83 85 86 108
+ 282 1 87 86 85 105
+ 283 2 105 85 86 107
+ 284 2 105 85 86 108
+ 285 1 87 86 85 106
+ 286 2 106 85 86 107
+ 287 2 106 85 86 108
+ 288 7 85 86 87 88
+ 289 1 85 86 87 109
+ 290 1 85 86 87 110
+ 291 1 88 87 86 107
+ 292 2 107 86 87 109
+ 293 2 107 86 87 110
+ 294 1 88 87 86 108
+ 295 2 108 86 87 109
+ 296 2 108 86 87 110
+ 297 22 86 87 88 89
+ 298 1 86 87 88 111
+ 299 1 86 87 88 112
+ 300 23 89 88 87 109
+ 301 2 109 87 88 111
+ 302 2 109 87 88 112
+ 303 23 89 88 87 110
+ 304 2 110 87 88 111
+ 305 2 110 87 88 112
+ 306 24 87 88 89 90
+ 307 24 87 88 89 113
+ 308 25 111 88 89 90
+ 309 25 111 88 89 113
+ 310 25 112 88 89 90
+ 311 25 112 88 89 113
+
+Impropers
+
+ 1 1 28 7 6 8
+ 2 2 10 8 7 9
+ 3 2 13 14 37 15
+ 4 1 55 37 38 14
+ 5 1 68 44 43 45
+ 6 2 47 45 44 46
+ 7 2 50 53 75 54
+ 8 1 91 75 76 53
+ 9 1 104 82 81 83
+ 10 2 85 83 82 84
+ 11 3 88 89 90 113
+
diff --git a/tools/msi2lmp/test/correct/data.phen3_cff97 b/tools/msi2lmp/test/correct/data.phen3_cff97
new file mode 100644
index 0000000000..ece9f30eb9
--- /dev/null
+++ b/tools/msi2lmp/test/correct/data.phen3_cff97
@@ -0,0 +1,442 @@
+LAMMPS data file for phen3_cff97
+
+ 23 atoms
+ 23 bonds
+ 39 angles
+ 54 dihedrals
+ 19 impropers
+
+ 7 atom types
+ 9 bond types
+ 16 angle types
+ 19 dihedral types
+ 12 improper types
+
+ -0.483345032 3.619415522 xlo xhi
+ -5.980008125 2.346019268 ylo yhi
+ -2.715474367 0.916701555 zlo zhi
+
+Masses
+
+ 1 14.006700
+ 2 1.007970
+ 3 12.011150
+ 4 1.007970
+ 5 12.011150
+ 6 15.999400
+ 7 12.011150
+
+Nonbond Coeffs
+
+ 1 0.0650000000 3.2620000000
+ 2 0.0130000000 1.0980000000
+ 3 0.0540000000 4.0100000000
+ 4 0.0200000000 2.9950000000
+ 5 0.1200000000 3.9080000000
+ 6 0.1670000000 3.5960000000
+ 7 0.0640000000 4.0100000000
+
+Bond Coeffs
+
+ 1 1.5185 293.1700 -603.7882 629.6900
+ 2 1.0119 448.6300 -963.1917 1248.4000
+ 3 1.1010 341.0000 -691.8900 844.6000
+ 4 1.5483 253.0800 -449.0300 457.3200
+ 5 1.5330 299.6700 -501.7700 679.8100
+ 6 1.2339 711.3500 -1543.9000 1858.6000
+ 7 1.5010 321.9021 -521.8208 572.1628
+ 8 1.4314 356.0904 -627.6179 1327.6345
+ 9 1.0862 377.7644 -803.4526 894.3173
+
+Angle Coeffs
+
+ 1 110.5100 49.2170 -12.2153 -18.9667
+ 2 106.1100 45.3280 -14.0474 1.9350
+ 3 105.8500 72.2630 -28.1923 0.0000
+ 4 0.0000 0.0000 0.0000 0.0000
+ 5 112.1300 66.4520 4.8694 37.7860
+ 6 109.6700 37.9190 -7.3877 -8.0694
+ 7 110.7700 41.4530 -10.6040 5.1290
+ 8 104.4900 31.3750 -4.4023 -6.5271
+ 9 115.0600 59.0960 -15.1430 -12.9820
+ 10 130.0100 111.2900 -52.3390 -28.1070
+ 11 108.4000 43.9594 -8.3924 -9.3379
+ 12 107.6600 39.6410 -12.9210 -2.4318
+ 13 111.0000 44.3234 -9.4454 0.0000
+ 14 120.0500 44.7148 -22.7352 0.0000
+ 15 118.9000 61.0226 -34.9931 0.0000
+ 16 117.9400 35.1558 -12.4682 0.0000
+
+Dihedral Coeffs
+
+ 1 -0.2458 0.0000 -0.2789 0.0000 -0.0294 0.0000
+ 2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 3 -0.8792 0.0000 -0.5978 0.0000 -0.3242 0.0000
+ 4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 5 -2.5999 0.0000 1.0488 0.0000 -0.2089 0.0000
+ 6 1.7311 0.0000 1.8510 0.0000 -0.1933 0.0000
+ 7 -0.2179 0.0000 -0.4127 0.0000 -0.1252 0.0000
+ 8 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
+ 9 -0.2432 0.0000 0.0617 0.0000 -0.1383 0.0000
+ 10 -0.0228 0.0000 0.0280 0.0000 -0.1863 0.0000
+ 11 -1.2767 0.0000 0.5949 0.0000 0.2379 0.0000
+ 12 0.0972 0.0000 0.0722 0.0000 -0.2581 0.0000
+ 13 -0.2802 0.0000 -0.0678 0.0000 -0.0122 0.0000
+ 14 -0.2802 0.0000 -0.0678 0.0000 -0.0122 0.0000
+ 15 0.0000 0.0000 1.5590 0.0000 0.0000 0.0000
+ 16 0.0000 0.0000 4.4072 0.0000 0.0000 0.0000
+ 17 0.0000 0.0000 3.9661 0.0000 0.0000 0.0000
+ 18 8.3667 0.0000 1.1932 0.0000 0.0000 0.0000
+ 19 0.0000 0.0000 1.8769 0.0000 0.0000 0.0000
+
+Improper Coeffs
+
+ 1 44.1500 0.0000
+ 2 6.9644 0.0000
+ 3 7.6012 0.0000
+ 4 0.0000 0.0000
+ 5 0.0000 0.0000
+ 6 0.0000 0.0000
+ 7 0.0000 0.0000
+ 8 0.0000 0.0000
+ 9 0.0000 0.0000
+ 10 0.0000 0.0000
+ 11 0.0000 0.0000
+ 12 0.0000 0.0000
+
+BondBond Coeffs
+
+ 1 8.6951 1.0119 1.5185
+ 2 2.8266 1.0119 1.0119
+ 3 -1.4797 1.5185 1.1010
+ 4 0.0000 1.5185 1.5483
+ 5 16.4280 1.5185 1.5330
+ 6 -1.1701 1.1010 1.5483
+ 7 3.3872 1.5330 1.1010
+ 8 16.4650 1.5330 1.5483
+ 9 57.8750 1.5483 1.2339
+ 10 166.5900 1.2339 1.2339
+ 11 0.0000 1.5330 1.5010
+ 12 5.3316 1.1010 1.1010
+ 13 2.9168 1.1010 1.5010
+ 14 12.0676 1.5010 1.4314
+ 15 68.2856 1.4314 1.4314
+ 16 1.0795 1.0862 1.4314
+
+BondAngle Coeffs
+
+ 1 6.2182 27.8810 1.0119 1.5185
+ 2 10.1080 10.1080 1.0119 1.0119
+ 3 50.0180 15.8820 1.5185 1.1010
+ 4 0.0000 0.0000 1.5185 1.5483
+ 5 49.7730 14.0620 1.5185 1.5330
+ 6 14.9650 11.8650 1.1010 1.5483
+ 7 20.7540 11.4210 1.5330 1.1010
+ 8 23.0840 19.1590 1.5330 1.5483
+ 9 51.5840 62.0560 1.5483 1.2339
+ 10 73.3500 73.3500 1.2339 1.2339
+ 11 0.0000 0.0000 1.5330 1.5010
+ 12 18.1030 18.1030 1.1010 1.1010
+ 13 11.7717 26.4608 1.1010 1.5010
+ 14 47.0579 31.0771 1.5010 1.4314
+ 15 28.8708 28.8708 1.4314 1.4314
+ 16 24.2183 20.0033 1.0862 1.4314
+
+AngleAngle Coeffs
+
+ 1 0.0000 0.0000 0.0000 115.0600 130.0100 115.0600
+ 2 0.0000 0.0000 0.0000 120.0500 118.9000 120.0500
+ 3 0.0000 0.0000 0.0000 117.9400 118.9000 117.9400
+ 4 -2.0310 -2.0310 -3.6257 106.1100 110.5100 110.5100
+ 5 -1.9852 -1.9852 -1.9852 106.1100 106.1100 106.1100
+ 6 0.0000 0.0000 0.0000 105.8500 109.6700 0.0000
+ 7 6.0274 7.0292 4.2440 112.1300 110.7700 105.8500
+ 8 0.0000 0.0000 0.0000 112.1300 104.4900 0.0000
+ 9 2.4594 -1.0033 -0.0414 110.7700 109.6700 104.4900
+ 10 0.2738 -0.4825 0.2738 110.7700 107.6600 110.7700
+ 11 1.0827 -1.8202 2.0403 110.7700 111.0000 108.4000
+ 12 2.3794 2.3794 3.0118 107.6600 111.0000 111.0000
+
+AngleAngleTorsion Coeffs
+
+ 1 -9.0674 110.5100 105.8500
+ 2 0.0000 110.5100 0.0000
+ 3 -15.9511 110.5100 112.1300
+ 4 0.0000 0.0000 115.0600
+ 5 -19.4570 109.6700 115.0600
+ 6 -28.7420 104.4900 115.0600
+ 7 -18.9263 112.1300 110.7700
+ 8 0.0000 112.1300 108.4000
+ 9 -12.5640 110.7700 110.7700
+ 10 0.0000 110.7700 108.4000
+ 11 -15.6070 110.7700 104.4900
+ 12 0.0000 104.4900 108.4000
+ 13 0.0000 108.4000 120.0500
+ 14 -5.8888 111.0000 120.0500
+ 15 4.4444 120.0500 117.9400
+ 16 -14.4097 120.0500 118.9000
+ 17 -4.8141 117.9400 118.9000
+ 18 0.0000 118.9000 118.9000
+ 19 0.3598 117.9400 117.9400
+
+EndBondTorsion Coeffs
+
+1 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0119 1.1010
+2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0119 1.5483
+3 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0119 1.5330
+4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5185 1.2339
+5 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1010 1.2339
+6 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5330 1.2339
+7 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5185 1.1010
+8 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5185 1.5010
+9 0.2130 0.3120 0.0777 0.2130 0.3120 0.0777 1.1010 1.1010
+10 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1010 1.5010
+11 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1010 1.5483
+12 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5483 1.5010
+13 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.5330 1.4314
+14 1.3997 0.7756 0.0000 -0.5835 1.1220 0.3978 1.1010 1.4314
+15 0.0000 -1.7970 0.0000 0.0000 -0.4879 0.0000 1.5010 1.0862
+16 0.0000 0.2421 0.0000 0.0000 -0.6918 0.0000 1.5010 1.4314
+17 0.0000 -0.4669 0.0000 0.0000 -6.8958 0.0000 1.0862 1.4314
+18 -0.1185 6.3204 0.0000 -0.1185 6.3204 0.0000 1.4314 1.4314
+19 0.0000 -0.6890 0.0000 0.0000 -0.6890 0.0000 1.0862 1.0862
+
+MiddleBondTorsion Coeffs
+
+ 1 -0.6980 0.8910 -0.1895 1.5185
+ 2 0.0000 0.0000 0.0000 1.5185
+ 3 -0.5922 -1.2262 0.4264 1.5185
+ 4 0.0000 0.0000 0.0000 1.5483
+ 5 -5.7009 0.7758 -0.4090 1.5483
+ 6 0.6798 0.9388 -1.8478 1.5483
+ 7 -9.8826 -3.7138 -0.1022 1.5330
+ 8 0.0000 0.0000 0.0000 1.5330
+ 9 -14.2610 -0.5322 -0.4864 1.5330
+ 10 0.0000 0.0000 0.0000 1.5330
+ 11 -13.6420 -0.8843 0.2118 1.5330
+ 12 0.0000 0.0000 0.0000 1.5330
+ 13 0.0000 0.0000 0.0000 1.5010
+ 14 -5.5679 1.4083 0.3010 1.5010
+ 15 0.0000 3.9421 0.0000 1.4314
+ 16 0.0000 9.1792 0.0000 1.4314
+ 17 0.0000 -1.1521 0.0000 1.4314
+ 18 27.5989 -2.3120 0.0000 1.4314
+ 19 0.0000 4.8228 0.0000 1.4314
+
+BondBond13 Coeffs
+
+ 1 0.0000 1.0119 1.1010
+ 2 0.0000 1.0119 1.5483
+ 3 0.0000 1.0119 1.5330
+ 4 0.0000 1.5185 1.2339
+ 5 0.0000 1.1010 1.2339
+ 6 0.0000 1.5330 1.2339
+ 7 0.0000 1.5185 1.1010
+ 8 0.0000 1.5185 1.5010
+ 9 0.0000 1.1010 1.1010
+ 10 0.0000 1.1010 1.5010
+ 11 0.0000 1.1010 1.5483
+ 12 0.0000 1.5483 1.5010
+ 13 0.0000 1.5330 1.4314
+ 14 -3.4826 1.1010 1.4314
+ 15 0.8743 1.5010 1.0862
+ 16 2.5085 1.5010 1.4314
+ 17 -6.2741 1.0862 1.4314
+ 18 -73.6169 1.4314 1.4314
+ 19 -1.7077 1.0862 1.0862
+
+AngleTorsion Coeffs
+
+ 1 -1.7705 -0.8407 -0.2881 -2.4112 -0.4658 -0.0738 110.5100 105.8500
+ 2 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 110.5100 0.0000
+ 3 -2.1025 -0.9363 0.4381 -3.5237 -0.3880 -0.4954 110.5100 112.1300
+ 4 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 115.0600
+ 5 12.0720 0.2388 -0.0426 -4.2825 1.1254 -0.1481 109.6700 115.0600
+ 6 13.2220 1.3271 -0.3941 2.9333 2.2593 -0.5573 104.4900 115.0600
+ 7 -2.8694 1.6172 -1.4627 -3.4109 0.6476 -0.9584 112.1300 110.7700
+ 8 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 112.1300 108.4000
+ 9 -0.8085 0.5569 -0.2466 -0.8085 0.5569 -0.2466 110.7700 110.7700
+ 10 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 110.7700 108.4000
+ 11 3.9318 2.2235 0.3670 1.6575 -0.4577 0.3610 110.7700 104.4900
+ 12 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 104.4900 108.4000
+ 13 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 108.4000 120.0500
+ 14 4.6266 0.1632 0.0461 0.2251 0.6548 0.1237 111.0000 120.0500
+ 15 0.0000 -0.1242 0.0000 0.0000 3.4601 0.0000 120.0500 117.9400
+ 16 0.0000 -4.4683 0.0000 0.0000 3.8987 0.0000 120.0500 118.9000
+ 17 0.0000 2.7147 0.0000 0.0000 2.5014 0.0000 117.9400 118.9000
+ 18 1.9767 1.0239 0.0000 1.9767 1.0239 0.0000 118.9000 118.9000
+ 19 0.0000 2.4501 0.0000 0.0000 2.4501 0.0000 117.9400 117.9400
+
+Atoms
+
+ 1 0 1 -0.045000 0.109592088 -0.199880913 0.000000478
+ 2 0 2 0.280000 -0.124733858 -1.202872038 -0.000001981
+ 3 0 2 0.280000 -0.285811990 0.244572327 0.840843439
+ 4 0 2 0.280000 -0.285812497 0.244576558 -0.840839982
+ 5 0 3 -0.078000 1.560634732 -0.038402185 0.000000465
+ 6 0 4 0.053000 1.972637177 -0.500293911 0.916701555
+ 7 0 5 0.297400 1.942531705 1.422506809 0.000000450
+ 8 0 6 -0.533700 3.187694550 1.672445178 0.000000438
+ 9 0 6 -0.533700 1.070737839 2.346019268 0.000000449
+ 10 0 3 -0.106000 2.174581766 -0.718786478 -1.261021852
+ 11 0 4 0.053000 1.839982390 -0.182426706 -2.172762394
+ 12 0 4 0.053000 3.272250891 -0.569177628 -1.261509657
+ 13 0 7 0.000000 1.889680982 -2.218492746 -1.435816169
+ 14 0 7 -0.130530 0.737977445 -2.629161119 -2.116767168
+ 15 0 4 0.130530 0.061427273 -1.894254208 -2.533302307
+ 16 0 7 -0.130530 0.424228579 -3.980331659 -2.214080095
+ 17 0 4 0.130530 -0.483345032 -4.285143852 -2.715474367
+ 18 0 7 -0.130530 1.268485427 -4.931880474 -1.646431088
+ 19 0 4 0.130530 1.020345688 -5.980008125 -1.718327641
+ 20 0 7 -0.130530 2.423752546 -4.531005859 -0.977356374
+ 21 0 4 0.130530 3.074717045 -5.268786907 -0.531340718
+ 22 0 7 -0.130530 2.733307123 -3.177516222 -0.869901538
+ 23 0 4 0.130530 3.619415522 -2.873045444 -0.331384182
+
+Bonds
+
+ 1 1 1 5
+ 2 2 1 2
+ 3 2 1 3
+ 4 2 1 4
+ 5 3 5 6
+ 6 4 5 7
+ 7 5 5 10
+ 8 6 7 9
+ 9 6 7 8
+ 10 3 10 11
+ 11 3 10 12
+ 12 7 10 13
+ 13 8 13 14
+ 14 8 13 22
+ 15 9 15 14
+ 16 8 14 16
+ 17 9 17 16
+ 18 8 16 18
+ 19 9 19 18
+ 20 8 18 20
+ 21 9 21 20
+ 22 8 20 22
+ 23 9 23 22
+
+Angles
+
+ 1 1 2 1 5
+ 2 1 3 1 5
+ 3 1 4 1 5
+ 4 2 2 1 3
+ 5 2 2 1 4
+ 6 2 3 1 4
+ 7 3 1 5 6
+ 8 4 1 5 7
+ 9 5 1 5 10
+ 10 6 6 5 7
+ 11 7 10 5 6
+ 12 8 10 5 7
+ 13 9 5 7 9
+ 14 9 5 7 8
+ 15 10 9 7 8
+ 16 7 5 10 11
+ 17 7 5 10 12
+ 18 11 5 10 13
+ 19 12 11 10 12
+ 20 13 11 10 13
+ 21 13 12 10 13
+ 22 14 10 13 14
+ 23 14 10 13 22
+ 24 15 14 13 22
+ 25 16 15 14 13
+ 26 15 13 14 16
+ 27 16 15 14 16
+ 28 16 17 16 14
+ 29 15 14 16 18
+ 30 16 17 16 18
+ 31 16 19 18 16
+ 32 15 16 18 20
+ 33 16 19 18 20
+ 34 16 21 20 18
+ 35 15 18 20 22
+ 36 16 21 20 22
+ 37 16 23 22 20
+ 38 15 20 22 13
+ 39 16 23 22 13
+
+Dihedrals
+
+ 1 1 2 1 5 6
+ 2 2 2 1 5 7
+ 3 3 2 1 5 10
+ 4 1 3 1 5 6
+ 5 2 3 1 5 7
+ 6 3 3 1 5 10
+ 7 1 4 1 5 6
+ 8 2 4 1 5 7
+ 9 3 4 1 5 10
+ 10 4 1 5 7 9
+ 11 4 1 5 7 8
+ 12 5 6 5 7 9
+ 13 5 6 5 7 8
+ 14 6 10 5 7 9
+ 15 6 10 5 7 8
+ 16 7 1 5 10 11
+ 17 7 1 5 10 12
+ 18 8 1 5 10 13
+ 19 9 6 5 10 11
+ 20 9 6 5 10 12
+ 21 10 6 5 10 13
+ 22 11 11 10 5 7
+ 23 11 12 10 5 7
+ 24 12 7 5 10 13
+ 25 13 5 10 13 14
+ 26 13 5 10 13 22
+ 27 14 11 10 13 14
+ 28 14 11 10 13 22
+ 29 14 12 10 13 14
+ 30 14 12 10 13 22
+ 31 15 10 13 14 15
+ 32 16 10 13 14 16
+ 33 17 15 14 13 22
+ 34 18 22 13 14 16
+ 35 16 10 13 22 20
+ 36 15 10 13 22 23
+ 37 18 14 13 22 20
+ 38 17 23 22 13 14
+ 39 17 17 16 14 13
+ 40 18 13 14 16 18
+ 41 19 15 14 16 17
+ 42 17 15 14 16 18
+ 43 17 19 18 16 14
+ 44 18 14 16 18 20
+ 45 19 17 16 18 19
+ 46 17 17 16 18 20
+ 47 17 21 20 18 16
+ 48 18 16 18 20 22
+ 49 19 19 18 20 21
+ 50 17 19 18 20 22
+ 51 17 23 22 20 18
+ 52 18 18 20 22 13
+ 53 19 21 20 22 23
+ 54 17 21 20 22 13
+
+Impropers
+
+ 1 1 5 7 9 8
+ 2 2 10 13 14 22
+ 3 3 15 14 13 16
+ 4 3 17 16 14 18
+ 5 3 19 18 16 20
+ 6 3 21 20 18 22
+ 7 3 23 22 20 13
+ 8 4 2 1 3 5
+ 9 4 2 1 4 5
+ 10 4 3 1 4 5
+ 11 5 2 1 3 4
+ 12 6 1 5 6 7
+ 13 7 1 5 10 6
+ 14 8 1 5 10 7
+ 15 9 10 5 6 7
+ 16 10 5 10 11 12
+ 17 11 5 10 11 13
+ 18 11 5 10 12 13
+ 19 12 11 10 12 13
+
diff --git a/tools/msi2lmp/test/crambin.car b/tools/msi2lmp/test/crambin.car
new file mode 100644
index 0000000000..cee005c9b9
--- /dev/null
+++ b/tools/msi2lmp/test/crambin.car
@@ -0,0 +1,649 @@
+!BIOSYM archive 3
+PBC=OFF
+input file for discover
+!DATE Mon Jul 14 13:41:23 1997
+N 17.047000885 14.098999977 3.625000000 THRN 1 n4 N -0.500
+HN3 16.238992691 14.681707382 3.886676073 THRN 1 hn H 0.360
+HN1 17.917675018 14.581335068 3.889913321 THRN 1 hn H 0.360
+HN2 17.039421082 13.939416885 2.607465982 THRN 1 hn H 0.360
+CA 16.966999054 12.784000397 4.337999821 THRN 1 ca C 0.320
+HA 16.972635269 11.928232193 3.662923098 THRN 1 h H 0.100
+C 15.685000420 12.755000114 5.132999897 THRN 1 c' C 0.380
+O 15.267999649 13.824999809 5.593999863 THRN 1 o' O -0.380
+CB 18.170000076 12.703000069 5.336999893 THRN 1 c1 C -0.070
+HB 18.120826721 13.621001244 5.922624588 THRN 1 h H 0.100
+OG1 19.333999634 12.829000473 4.462999821 THRN 1 oh O -0.380
+HG1 19.691650391 13.794054985 4.503693104 THRN 1 ho H 0.350
+CG2 18.149999619 11.545999527 6.303999901 THRN 1 c3 C -0.300
+HG21 19.007284164 11.616475105 6.973474979 THRN 1 h H 0.100
+HG22 17.230155945 11.575787544 6.888035774 THRN 1 h H 0.100
+HG23 18.198083878 10.608263016 5.750428200 THRN 1 h H 0.100
+N 15.114999771 11.555000305 5.264999866 THR 2 n N -0.500
+HN 15.528337479 10.717791557 4.830105782 THR 2 hn H 0.280
+CA 13.855999947 11.468999863 6.065999985 THR 2 ca C 0.120
+HA 13.508913994 12.491562843 6.214313030 THR 2 h H 0.100
+C 14.163999557 10.784999847 7.379000187 THR 2 c' C 0.380
+O 14.993000031 9.862000465 7.442999840 THR 2 o' O -0.380
+CB 12.732000351 10.711000443 5.261000156 THR 2 c1 C -0.070
+HB 11.753349304 10.621357918 5.732493877 THR 2 h H 0.100
+OG1 13.307999611 9.439000130 4.926000118 THR 2 oh O -0.380
+HG1 12.585855484 8.833214760 4.510751247 THR 2 ho H 0.350
+CG2 12.484000206 11.442000389 3.894999981 THR 2 c3 C -0.300
+HG21 11.803796768 10.849267006 3.283370495 THR 2 h H 0.100
+HG22 12.044157028 12.421771049 4.081242085 THR 2 h H 0.100
+HG23 13.431519508 11.563512802 3.370076180 THR 2 h H 0.100
+N 13.487999916 11.241000175 8.416999817 CYS 3 n N -0.500
+HN 12.810626030 12.002311707 8.267102242 CYS 3 hn H 0.280
+CA 13.659999847 10.706999779 9.786999702 CYS 3 ca C 0.120
+HA 14.238283157 9.783084869 9.778588295 CYS 3 h H 0.100
+C 12.269000053 10.430999756 10.322999954 CYS 3 c' C 0.380
+O 11.392999649 11.307999611 10.185000420 CYS 3 o' O -0.380
+CB 14.368000031 11.748000145 10.690999985 CYS 3 c2 C -0.300
+HB1 13.670405388 12.570071220 10.851186752 CYS 3 h H 0.100
+HB2 14.606354713 11.254445076 11.633172989 CYS 3 h H 0.100
+SG 15.885000229 12.425999641 10.015999794 CYS 3 s1 S 0.100
+N 12.019000053 9.272000313 10.928000450 CYS 4 n N -0.500
+HN 12.770128250 8.579818726 11.060630798 CYS 4 hn H 0.280
+CA 10.645999908 8.991000175 11.407999992 CYS 4 ca C 0.120
+HA 10.045209885 9.855814934 11.126492500 CYS 4 h H 0.100
+C 10.654000282 8.793000221 12.918999672 CYS 4 c' C 0.380
+O 11.659000397 8.295999527 13.491000175 CYS 4 o' O -0.380
+CB 10.057000160 7.751999855 10.682000160 CYS 4 c2 C -0.300
+HB1 10.731808662 6.925758839 10.905740738 CYS 4 h H 0.100
+HB2 9.122684479 7.521792412 11.194015503 CYS 4 h H 0.100
+SG 9.836999893 8.017999649 8.904000282 CYS 4 s1 S 0.100
+N 9.560999870 9.107999802 13.562999725 PRO 5 n N -0.420
+CA 9.447999954 9.034000397 15.012000084 PRO 5 ca C 0.060
+HA 10.341467857 9.534400940 15.385380745 PRO 5 h H 0.100
+CD 8.366000175 9.803999901 12.958000183 PRO 5 c2 C 0.060
+HD1 8.002507210 9.270477295 12.079748154 PRO 5 h H 0.100
+HD2 8.616027832 10.819077492 12.649448395 PRO 5 h H 0.100
+C 9.288000107 7.670000076 15.605999947 PRO 5 c' C 0.380
+O 9.489999771 7.519000053 16.819000244 PRO 5 o' O -0.380
+CB 8.229999542 9.956999779 15.345000267 PRO 5 c2 C -0.200
+HB1 7.714309216 9.644173622 16.252912521 PRO 5 h H 0.100
+HB2 8.527364731 10.997467041 15.475772858 PRO 5 h H 0.100
+CG 7.337999821 9.786000252 14.114000320 PRO 5 c2 C -0.200
+HG1 6.782078266 8.848659515 14.135046959 PRO 5 h H 0.100
+HG2 6.614880562 10.595389366 14.013560295 PRO 5 h H 0.100
+N 8.875000000 6.685999870 14.795999527 SER 6 n N -0.500
+HN 8.693690300 6.898229599 13.804543495 SER 6 hn H 0.280
+CA 8.673000336 5.314000130 15.279000282 SER 6 ca C 0.120
+HA 9.487320900 5.098019123 15.970617294 SER 6 h H 0.100
+C 8.753000259 4.375999928 14.083000183 SER 6 c' C 0.380
+O 8.725999832 4.857999802 12.923000336 SER 6 o' O -0.380
+CB 7.340000153 5.120999813 15.996000290 SER 6 c2 C -0.170
+HB1 7.303732872 4.135610104 16.460533142 SER 6 h H 0.100
+HB2 7.204785347 5.896010399 16.750438690 SER 6 h H 0.100
+OG 6.274000168 5.219999790 15.031000137 SER 6 oh O -0.380
+HG 6.086399078 6.211903572 14.826469421 SER 6 ho H 0.350
+N 8.880999565 3.075000048 14.357999802 ILE 7 n N -0.500
+HN 8.958233833 2.761164188 15.335978508 ILE 7 hn H 0.280
+CA 8.911999702 2.082999945 13.258000374 ILE 7 ca C 0.120
+HA 9.752125740 2.304961205 12.599957466 ILE 7 h H 0.100
+C 7.580999851 2.089999914 12.505999565 ILE 7 c' C 0.380
+O 7.670000076 2.030999899 11.244999886 ILE 7 o' O -0.380
+CB 9.206999779 0.676999986 13.923999786 ILE 7 c1 C -0.100
+HB 8.631069183 0.572530746 14.843504906 ILE 7 h H 0.100
+CG1 10.713999748 0.702000022 14.312000275 ILE 7 c2 C -0.200
+HG11 11.291265488 0.728613675 13.387794495 ILE 7 h H 0.100
+HG12 10.887344360 1.603095889 14.900283813 ILE 7 h H 0.100
+CG2 8.810999870 -0.476999998 12.968999863 ILE 7 c3 C -0.300
+HG21 9.032923698 -1.433422685 13.442394257 ILE 7 h H 0.100
+HG22 7.744652271 -0.418968171 12.750744820 ILE 7 h H 0.100
+HG23 9.376438141 -0.391609550 12.041049957 ILE 7 h H 0.100
+CD1 11.185000420 -0.515999973 15.142000198 ILE 7 c3 C -0.300
+HD11 11.020709038 -1.430322766 14.571805000 ILE 7 h H 0.100
+HD12 12.246717453 -0.414458960 15.366830826 ILE 7 h H 0.100
+HD13 10.619837761 -0.562440276 16.072879791 ILE 7 h H 0.100
+N 6.458000183 2.161999941 13.159000397 VAL 8 n N -0.500
+HN 6.476118088 2.187154531 14.188533783 VAL 8 hn H 0.280
+CA 5.144999981 2.209000111 12.453000069 VAL 8 ca C 0.120
+HA 5.026936531 1.265246391 11.920561790 VAL 8 h H 0.100
+C 5.114999771 3.378999949 11.461000443 VAL 8 c' C 0.380
+O 4.664000034 3.267999887 10.343000412 VAL 8 o' O -0.380
+CB 3.994999886 2.354000092 13.477999687 VAL 8 c1 C -0.100
+HB 4.418568611 3.051678419 14.200449944 VAL 8 h H 0.100
+CG1 2.716000080 2.891000032 12.869000435 VAL 8 c3 C -0.300
+HG11 1.981043458 3.059607983 13.656088829 VAL 8 h H 0.100
+HG12 2.923026085 3.831490993 12.358395576 VAL 8 h H 0.100
+HG13 2.322393417 2.168816090 12.153719902 VAL 8 h H 0.100
+CG2 3.757999897 1.031999946 14.208000183 VAL 8 c3 C -0.300
+HG21 3.374393702 0.292122275 13.505486488 VAL 8 h H 0.100
+HG22 4.697329521 0.676970363 14.631930351 VAL 8 h H 0.100
+HG23 3.033046246 1.182916164 15.007855415 VAL 8 h H 0.100
+N 5.605999947 4.546000004 11.940999985 ALA 9 n N -0.500
+HN 5.984637260 4.591287613 12.897809029 ALA 9 hn H 0.280
+CA 5.598000050 5.767000198 11.081999779 ALA 9 ca C 0.120
+HA 4.565777779 5.921326160 10.767674446 ALA 9 h H 0.100
+C 6.440999985 5.526999950 9.850000381 ALA 9 c' C 0.380
+O 6.052000046 5.933000088 8.744000435 ALA 9 o' O -0.380
+CB 6.021999836 6.977000237 11.890999794 ALA 9 c3 C -0.300
+HB1 5.950239658 7.871601582 11.272420883 ALA 9 h H 0.100
+HB2 5.369528770 7.081964016 12.757813454 ALA 9 h H 0.100
+HB3 7.051515102 6.848640919 12.225253105 ALA 9 h H 0.100
+N 7.646999836 4.908999920 10.005000114 ARG 10 n N -0.500
+HN 7.968383789 4.648912430 10.948380470 ARG 10 hn H 0.280
+CA 8.496000290 4.609000206 8.836999893 ARG 10 ca C 0.120
+HA 8.672454834 5.551135063 8.318015099 ARG 10 h H 0.100
+C 7.797999859 3.608999968 7.875999928 ARG 10 c' C 0.380
+O 7.877999783 3.778000116 6.651000023 ARG 10 o' O -0.380
+CB 9.847000122 4.019999981 9.305000305 ARG 10 c2 C -0.200
+HB1 10.292553902 4.780714035 9.946011543 ARG 10 h H 0.110
+HB2 9.592742920 3.191395044 9.965959549 ARG 10 h H 0.110
+CG 10.751999855 3.607000113 8.149000168 ARG 10 c2 C -0.200
+HG1 11.631093979 3.136696339 8.589575768 ARG 10 h H 0.130
+HG2 10.187005997 2.897431850 7.544521332 ARG 10 h H 0.130
+CD 11.225999832 4.698999882 7.243999958 ARG 10 c2 C -0.160
+HD1 11.795847893 4.300052166 6.404825211 ARG 10 h H 0.130
+HD2 10.397437096 5.319350719 6.902313709 ARG 10 h H 0.130
+NE 12.142999649 5.571000099 8.034999847 ARG 10 n N -0.560
+CZ 12.758000374 6.609000206 7.442999840 ARG 10 cr C 0.380
+NH1 12.538999557 6.932000160 6.157999992 ARG 10 n2 N -0.560
+HH11 11.887275696 6.371951103 5.590105534 ARG 10 hn H 0.280
+HH12 13.022671700 7.739827156 5.740416050 ARG 10 hn H 0.280
+NH2 13.600999832 7.322000027 8.201999664 ARG 10 n2 N -0.560
+HH21 13.756224632 7.059009075 9.185687065 ARG 10 hn H 0.280
+HH22 14.093895912 8.133021355 7.801752567 ARG 10 hn H 0.280
+N 7.185999870 2.582000017 8.444999695 SER 11 n N -0.500
+HN 7.181996822 2.472300768 9.469133377 SER 11 hn H 0.280
+CA 6.500000000 1.583999991 7.565000057 SER 11 ca C 0.120
+HA 7.232992172 1.158654571 6.879504681 SER 11 h H 0.100
+C 5.381999969 2.312999964 6.772999763 SER 11 c' C 0.380
+O 5.212999821 2.016000032 5.557000160 SER 11 o' O -0.380
+CB 5.907999992 0.462000012 8.399999619 SER 11 c2 C -0.170
+HB1 5.275885105 0.867496729 9.190001488 SER 11 h H 0.100
+HB2 5.339412212 -0.222457558 7.770455360 SER 11 h H 0.100
+OG 6.989999771 -0.272000015 9.012000084 SER 11 oh O -0.380
+HG 6.754035950 -0.477917194 9.993233681 SER 11 ho H 0.350
+N 4.647999763 3.181999922 7.446000099 ASN 12 n N -0.500
+HN 4.830713749 3.344167471 8.446608543 ASN 12 hn H 0.280
+CA 3.545000076 3.934999943 6.750999928 ASN 12 ca C 0.120
+HA 2.931945086 3.139469147 6.327450275 ASN 12 h H 0.100
+C 4.106999874 4.850999832 5.690999985 ASN 12 c' C 0.380
+O 3.536000013 5.000999928 4.617000103 ASN 12 o' O -0.380
+CB 2.663000107 4.677000046 7.748000145 ASN 12 c2 C -0.200
+HB1 3.340831280 5.294844151 8.336993217 ASN 12 h H 0.100
+HB2 2.070847750 5.373784065 7.154748440 ASN 12 h H 0.100
+CG 1.802000046 3.734999895 8.609999657 ASN 12 c' C 0.380
+OD1 1.567000031 2.612999916 8.164999962 ASN 12 o' O -0.380
+ND2 1.394000053 4.251999855 9.767000198 ASN 12 n2 N -0.560
+HD21 1.661958218 5.212530613 10.024837494 ASN 12 hn H 0.280
+HD22 0.810311615 3.691485643 10.404206276 ASN 12 hn H 0.280
+N 5.258999825 5.498000145 6.005000114 PHE 13 n N -0.500
+HN 5.665558815 5.373039246 6.943080425 PHE 13 hn H 0.280
+CA 5.928999901 6.357999802 5.054999828 PHE 13 ca C 0.120
+HA 5.242126465 7.176824093 4.840915680 PHE 13 h H 0.100
+C 6.303999901 5.578000069 3.799000025 PHE 13 c' C 0.380
+O 6.136000156 6.072000027 2.653000116 PHE 13 o' O -0.380
+CB 7.183000088 6.993999958 5.754000187 PHE 13 c2 C -0.200
+HB1 6.822110653 7.422051907 6.689217091 PHE 13 h H 0.100
+HB2 7.827757359 6.160566807 6.032885551 PHE 13 h H 0.100
+CG 7.883999825 8.005999565 4.882999897 PHE 13 cp C 0.000
+CD1 8.906000137 7.585999966 4.026999950 PHE 13 cp C -0.100
+HD1 9.200509071 6.536970615 3.996972561 PHE 13 h H 0.100
+CD2 7.532000065 9.373000145 4.982999802 PHE 13 cp C -0.100
+HD2 6.777885437 9.706417084 5.695912361 PHE 13 h H 0.100
+CE1 9.560000420 8.538999557 3.194000006 PHE 13 cp C -0.100
+HE1 10.356478691 8.246096611 2.509945869 PHE 13 h H 0.100
+CE2 8.175999641 10.281000137 4.144999981 PHE 13 cp C -0.100
+HE2 7.907211304 11.336964607 4.173122406 PHE 13 h H 0.100
+CZ 9.140999794 9.845000267 3.292000055 PHE 13 cp C -0.100
+HZ 9.614526749 10.580624580 2.641823530 PHE 13 h H 0.100
+N 6.900000095 4.389999866 3.989000082 ASN 14 n N -0.500
+HN 7.056817055 4.026083469 4.939722538 ASN 14 hn H 0.280
+CA 7.330999851 3.607000113 2.790999889 ASN 14 ca C 0.120
+HA 8.025202751 4.266238213 2.269859314 ASN 14 h H 0.100
+C 6.116000175 3.210000038 1.914999962 ASN 14 c' C 0.380
+O 6.239999771 3.144000053 0.684000015 ASN 14 o' O -0.380
+CB 8.145000458 2.404000044 3.240000010 ASN 14 c2 C -0.200
+HB1 7.607684612 1.901341796 4.044192791 ASN 14 h H 0.100
+HB2 8.238607407 1.714848042 2.400710344 ASN 14 h H 0.100
+CG 9.555000305 2.855999947 3.730000019 ASN 14 c' C 0.380
+OD1 10.012999535 3.894999981 3.322999954 ASN 14 o' O -0.380
+ND2 10.119999886 1.955999970 4.539000034 ASN 14 n2 N -0.560
+HD21 9.602790833 1.105753064 4.804471970 ASN 14 hn H 0.280
+HD22 11.072957993 2.112127066 4.897321224 ASN 14 hn H 0.280
+N 4.993000031 2.927000046 2.571000099 VAL 15 n N -0.500
+HN 4.955123901 2.932416916 3.600289106 VAL 15 hn H 0.280
+CA 3.782000065 2.598999977 1.741999984 VAL 15 ca C 0.120
+HA 4.121348858 1.813766837 1.066462040 VAL 15 h H 0.100
+C 3.296000004 3.871000051 1.003999949 VAL 15 c' C 0.380
+O 2.947000027 3.816999912 -0.188999996 VAL 15 o' O -0.380
+CB 2.697999954 1.952999949 2.608000040 VAL 15 c1 C -0.100
+HB 2.505213737 2.550559521 3.498986244 VAL 15 h H 0.100
+CG1 1.383999944 1.825999975 1.805999994 VAL 15 c3 C -0.300
+HG11 0.627347350 1.339950681 2.421900034 VAL 15 h H 0.100
+HG12 1.035640240 2.818121433 1.518877268 VAL 15 h H 0.100
+HG13 1.560454965 1.230180860 0.910475850 VAL 15 h H 0.100
+CG2 3.174000025 0.532999992 3.005000114 VAL 15 c3 C -0.300
+HG21 3.344338417 -0.058414809 2.105381727 VAL 15 h H 0.100
+HG22 4.101772785 0.605659664 3.572501659 VAL 15 h H 0.100
+HG23 2.411232710 0.051358268 3.616807222 VAL 15 h H 0.100
+N 3.321000099 4.986999989 1.720000029 CYS 16 n N -0.500
+HN 3.642014980 4.956790447 2.698231459 CYS 16 hn H 0.280
+CA 2.890000105 6.284999847 1.126000047 CYS 16 ca C 0.120
+HA 1.819724441 6.204565048 0.935894310 CYS 16 h H 0.100
+C 3.687000036 6.597000122 -0.111000001 CYS 16 c' C 0.380
+O 3.200000048 7.146999836 -1.103000045 CYS 16 o' O -0.380
+CB 3.039000034 7.368999958 2.240000010 CYS 16 c2 C -0.300
+HB1 2.427302361 7.046223164 3.082461596 CYS 16 h H 0.100
+HB2 4.076938152 7.344151497 2.571914196 CYS 16 h H 0.100
+SG 2.559000015 9.013999939 1.649000049 CYS 16 s1 S 0.100
+N 4.997000217 6.227000237 -0.100000001 ARG 17 n N -0.500
+HN 5.366806507 5.742030144 0.730028629 ARG 17 hn H 0.280
+CA 5.894999981 6.488999844 -1.213000059 ARG 17 ca C 0.120
+HA 5.606140137 7.505477905 -1.480268955 ARG 17 h H 0.100
+C 5.737999916 5.559999943 -2.408999920 ARG 17 c' C 0.380
+O 6.228000164 5.901000023 -3.506999969 ARG 17 o' O -0.380
+CB 7.369999886 6.506999969 -0.731000006 ARG 17 c2 C -0.200
+HB1 7.554117680 5.576966763 -0.193190947 ARG 17 h H 0.110
+HB2 8.006169319 6.572014809 -1.613701701 ARG 17 h H 0.110
+CG 7.717000008 7.686999798 0.206000000 ARG 17 c2 C -0.200
+HG1 6.892404079 7.845237732 0.901055515 ARG 17 h H 0.130
+HG2 8.617112160 7.442208767 0.769892812 ARG 17 h H 0.130
+CD 7.948999882 8.946999550 -0.615000010 ARG 17 c2 C -0.160
+HD1 7.120620728 9.063755989 -1.313753128 ARG 17 h H 0.130
+HD2 7.958537579 9.803778648 0.058749799 ARG 17 h H 0.130
+NE 9.211999893 8.855999947 -1.337000012 ARG 17 n N -0.560
+CZ 9.536999702 9.532999992 -2.430999994 ARG 17 cr C 0.380
+NH1 8.659000397 10.350000381 -3.032000065 ARG 17 n2 N -0.560
+HH11 7.687877178 10.401560783 -2.692646742 ARG 17 hn H 0.280
+HH12 8.956042290 10.925786018 -3.832710981 ARG 17 hn H 0.280
+NH2 10.793000221 9.491000175 -2.898999929 ARG 17 n2 N -0.560
+HH21 11.487204552 8.872345924 -2.456000090 ARG 17 hn H 0.280
+HH22 11.063426018 10.077307701 -3.701504469 ARG 17 hn H 0.280
+N 5.051000118 4.410999775 -2.203999996 LEU 18 n N -0.500
+HN 4.617259026 4.215945244 -1.290368676 LEU 18 hn H 0.280
+CA 4.933000088 3.430999994 -3.325999975 LEU 18 ca C 0.120
+HA 5.980045319 3.132587433 -3.378404140 LEU 18 h H 0.100
+C 4.396999836 4.013999939 -4.619999886 LEU 18 c' C 0.380
+O 4.987999916 3.755000114 -5.686999798 LEU 18 o' O -0.380
+CB 4.196000099 2.184000015 -2.862999916 LEU 18 c2 C -0.200
+HB1 3.339328766 2.530950308 -2.285211325 LEU 18 h H 0.100
+HB2 3.882649422 1.660040379 -3.765982628 LEU 18 h H 0.100
+CG 4.960000038 1.177999973 -1.991000056 LEU 18 c1 C -0.100
+HG 5.379372120 1.654240489 -1.104759574 LEU 18 h H 0.100
+CD1 3.907000065 0.097000003 -1.633999944 LEU 18 c3 C -0.300
+HD11 4.372385025 -0.676563323 -1.023166656 LEU 18 h H 0.100
+HD12 3.089181185 0.555318415 -1.077927470 LEU 18 h H 0.100
+HD13 3.518241882 -0.348654836 -2.549619913 LEU 18 h H 0.100
+CD2 6.129000187 0.606000006 -2.767999887 LEU 18 c3 C -0.300
+HD21 5.767732143 0.166402578 -3.697698832 LEU 18 h H 0.100
+HD22 6.839241505 1.401178122 -2.994605541 LEU 18 h H 0.100
+HD23 6.621874809 -0.161501810 -2.171245098 LEU 18 h H 0.100
+N 3.328999996 4.795000076 -4.543000221 PRO 19 n N -0.420
+CA 2.792000055 5.375999928 -5.796999931 PRO 19 ca C 0.060
+HA 2.750592709 4.562232971 -6.520994663 PRO 19 h H 0.100
+CD 2.421000004 4.940999985 -3.407999992 PRO 19 c2 C 0.060
+HD1 2.893075705 5.502179623 -2.601574659 PRO 19 h H 0.100
+HD2 2.129873276 3.967023134 -3.014662504 PRO 19 h H 0.100
+C 3.572999954 6.539999962 -6.322000027 PRO 19 c' C 0.380
+O 3.259999990 7.045000076 -7.421999931 PRO 19 o' O -0.380
+CB 1.358000040 5.765999794 -5.472000122 PRO 19 c2 C -0.200
+HB1 1.137144327 6.795158386 -5.755116940 PRO 19 h H 0.100
+HB2 0.636163235 5.061525822 -5.885241508 PRO 19 h H 0.100
+CG 1.223000050 5.693999767 -3.993000031 PRO 19 c2 C -0.200
+HG1 1.192069173 6.702612400 -3.580879211 PRO 19 h H 0.100
+HG2 0.303467065 5.167813301 -3.736705542 PRO 19 h H 0.100
+N 4.565000057 7.046999931 -5.559000015 GLY 20 n N -0.500
+HN 4.763685703 6.625352859 -4.640502453 GLY 20 hn H 0.280
+CA 5.366000175 8.190999985 -6.018000126 GLY 20 cg C 0.020
+HA1 6.411324024 7.914688587 -5.879978657 GLY 20 h H 0.100
+HA2 5.204787731 8.272821426 -7.092902660 GLY 20 h H 0.100
+C 5.006999969 9.480999947 -5.280000210 GLY 20 c' C 0.380
+O 5.534999847 10.510000229 -5.730000019 GLY 20 o' O -0.380
+N 4.181000233 9.437999725 -4.262000084 THR 21 n N -0.500
+HN 3.805485964 8.521671295 -3.978747845 THR 21 hn H 0.280
+CA 3.766999960 10.609000206 -3.513000011 THR 21 ca C 0.120
+HA 3.186850548 11.287978172 -4.137912750 THR 21 h H 0.100
+C 5.017000198 11.397000313 -3.042000055 THR 21 c' C 0.380
+O 5.947000027 10.756999969 -2.523000002 THR 21 o' O -0.380
+CB 2.992000103 10.187999725 -2.224999905 THR 21 c1 C -0.070
+HB 3.722551346 9.746408463 -1.547215223 THR 21 h H 0.100
+OG1 2.051000118 9.144000053 -2.622999907 THR 21 oh O -0.380
+HG1 1.135602355 9.567562103 -2.831667185 THR 21 ho H 0.350
+CG2 2.259999990 11.348999977 -1.550999999 THR 21 c3 C -0.300
+HG21 1.741620898 10.986124992 -0.663473487 THR 21 h H 0.100
+HG22 2.980043650 12.114913940 -1.262877345 THR 21 h H 0.100
+HG23 1.535783529 11.774766922 -2.245502472 THR 21 h H 0.100
+N 4.971000195 12.703000069 -3.176000118 PRO 22 n N -0.420
+CA 6.143000126 13.512999535 -2.696000099 PRO 22 ca C 0.060
+HA 7.038496494 13.344851494 -3.294257641 PRO 22 h H 0.100
+CD 3.963999987 13.567000389 -3.811000109 PRO 22 c2 C 0.060
+HD1 3.145355940 13.595741272 -3.091906309 PRO 22 h H 0.100
+HD2 3.722736835 13.055393219 -4.742746353 PRO 22 h H 0.100
+C 6.400000095 13.232999802 -1.225000024 PRO 22 c' C 0.380
+O 5.485000134 13.060999870 -0.381999999 PRO 22 o' O -0.380
+CB 5.703000069 14.968999863 -2.920000076 PRO 22 c2 C -0.200
+HB1 5.180837631 15.406009674 -2.068842649 PRO 22 h H 0.100
+HB2 6.486554623 15.606681824 -3.329272270 PRO 22 h H 0.100
+CG 4.676000118 14.892999649 -3.996000051 PRO 22 c2 C -0.200
+HG1 3.913127184 15.665482521 -3.899067879 PRO 22 h H 0.100
+HG2 5.117558002 14.866248131 -4.992198467 PRO 22 h H 0.100
+N 7.728000164 13.296999931 -0.921000004 GLU 23 n N -0.500
+HN 8.435604095 13.473001480 -1.648475647 GLU 23 hn H 0.280
+CA 8.114000320 13.102999687 0.500000000 GLU 23 ca C 0.120
+HA 7.816065788 12.094260216 0.785972416 GLU 23 h H 0.100
+C 7.427000046 14.072999954 1.409999967 GLU 23 c' C 0.380
+O 7.035999775 13.682000160 2.539999962 GLU 23 o' O -0.380
+CB 9.647999763 13.284999847 0.660000026 GLU 23 c2 C -0.200
+HB1 9.905550957 14.228507996 0.178793058 GLU 23 h H 0.100
+HB2 9.841214180 13.411215782 1.725287557 GLU 23 h H 0.100
+CG 10.439999580 12.093000412 0.063000001 GLU 23 c2 C -0.200
+HG1 9.979146957 11.185737610 0.453625947 GLU 23 h H 0.100
+HG2 10.252198219 12.100539207 -1.010673165 GLU 23 h H 0.100
+CD 11.940999985 12.170000076 0.391000003 GLU 23 c' C 0.380
+OE1 12.416000366 13.225000381 0.680999994 GLU 23 o' O -0.350
+OE2 12.538999557 11.069999695 0.291999996 GLU 23 oh O -0.380
+HE2 11.852339745 10.318097115 0.136945918 GLU 23 ho H 0.350
+N 7.211999893 15.333999634 0.966000021 ALA 24 n N -0.500
+HN 7.454528332 15.605654716 0.002525384 ALA 24 hn H 0.280
+CA 6.613999844 16.316999435 1.912999988 ALA 24 ca C 0.120
+HA 7.281579018 16.350204468 2.774008274 ALA 24 h H 0.100
+C 5.211999893 15.935999870 2.349999905 ALA 24 c' C 0.380
+O 4.782000065 16.166000366 3.494999886 ALA 24 o' O -0.380
+CB 6.605000019 17.694999695 1.246000051 ALA 24 c3 C -0.300
+HB1 6.237848759 18.439016342 1.952922821 ALA 24 h H 0.100
+HB2 7.617130280 17.956361771 0.937162876 ALA 24 h H 0.100
+HB3 5.953601360 17.672107697 0.372354269 ALA 24 h H 0.100
+N 4.445000172 15.317999840 1.404999971 ILE 25 n N -0.500
+HN 4.817237854 15.149471283 0.459517360 ILE 25 hn H 0.280
+CA 3.073999882 14.894000053 1.756000042 ILE 25 ca C 0.120
+HA 2.651019573 15.738821983 2.299565554 ILE 25 h H 0.100
+C 3.085000038 13.642999649 2.644999981 ILE 25 c' C 0.380
+O 2.315000057 13.522999763 3.578000069 ILE 25 o' O -0.380
+CB 2.203999996 14.637000084 0.462000012 ILE 25 c1 C -0.100
+HB 2.766484499 14.064008713 -0.275151134 ILE 25 h H 0.100
+CG1 1.815000057 16.048000336 -0.128999993 ILE 25 c2 C -0.200
+HG11 2.730222702 16.635150909 -0.204643890 ILE 25 h H 0.100
+HG12 1.443681121 15.888158798 -1.141261339 ILE 25 h H 0.100
+CG2 0.902999997 13.864000320 0.810999990 ILE 25 c3 C -0.300
+HG21 0.304098606 13.734000206 -0.090398379 ILE 25 h H 0.100
+HG22 1.159095764 12.886850357 1.220502138 ILE 25 h H 0.100
+HG23 0.331401974 14.427850723 1.548189402 ILE 25 h H 0.100
+CD1 0.755999982 16.760999680 0.757000029 ILE 25 c3 C -0.300
+HD11 1.158126354 16.905153275 1.759802103 ILE 25 h H 0.100
+HD12 0.510290921 17.729721069 0.321907312 ILE 25 h H 0.100
+HD13 -0.144283146 16.148948669 0.811632454 ILE 25 h H 0.100
+N 4.032000065 12.763999939 2.312999964 CYS 26 n N -0.500
+HN 4.636651039 12.911288261 1.492266655 CYS 26 hn H 0.280
+CA 4.179999828 11.548999786 3.187000036 CYS 26 ca C 0.120
+HA 3.168948889 11.146821976 3.251257181 CYS 26 h H 0.100
+C 4.631999969 11.944000244 4.596000195 CYS 26 c' C 0.380
+O 4.227000237 11.251999855 5.546999931 CYS 26 o' O -0.380
+CB 5.038000107 10.517999649 2.539000034 CYS 26 c2 C -0.300
+HB1 5.986673355 10.992624283 2.288298368 CYS 26 h H 0.100
+HB2 5.186637402 9.715300560 3.261275530 CYS 26 h H 0.100
+SG 4.348999977 9.793999672 1.021999955 CYS 26 s1 S 0.100
+N 5.407999992 13.012000084 4.693999767 ALA 27 n N -0.500
+HN 5.691634178 13.513016701 3.839930773 ALA 27 hn H 0.280
+CA 5.879000187 13.501999855 6.026000023 ALA 27 ca C 0.120
+HA 6.445541859 12.670074463 6.444367886 ALA 27 h H 0.100
+C 4.696000099 13.907999992 6.881999969 ALA 27 c' C 0.380
+O 4.527999878 13.421999931 8.024999619 ALA 27 o' O -0.380
+CB 6.880000114 14.614999771 5.829999924 ALA 27 c3 C -0.300
+HB1 7.267490864 14.930619240 6.798676968 ALA 27 h H 0.100
+HB2 7.702079296 14.259757042 5.208639622 ALA 27 h H 0.100
+HB3 6.394177914 15.459349632 5.340969563 ALA 27 h H 0.100
+N 3.826999903 14.802000046 6.357999802 THR 28 n N -0.500
+HN 3.955853701 15.176399231 5.407146454 THR 28 hn H 0.280
+CA 2.690999985 15.220999718 7.193999767 THR 28 ca C 0.120
+HA 3.191283464 15.484881401 8.125762939 THR 28 h H 0.100
+C 1.672000051 14.131999969 7.434000015 THR 28 c' C 0.380
+O 0.947000027 14.112000465 8.468000412 THR 28 o' O -0.380
+CB 1.985999942 16.520000458 6.613999844 THR 28 c1 C -0.070
+HB 1.055821180 16.708566666 7.150013447 THR 28 h H 0.100
+OG1 1.664000034 16.221000671 5.230000019 THR 28 oh O -0.380
+HG1 1.387834191 17.087430954 4.746335030 THR 28 ho H 0.350
+CG2 2.914000034 17.739000320 6.699999809 THR 28 c3 C -0.300
+HG21 2.420290470 18.604087830 6.257310867 THR 28 h H 0.100
+HG22 3.144372940 17.947925568 7.744690895 THR 28 h H 0.100
+HG23 3.837480545 17.532133102 6.159175873 THR 28 h H 0.100
+N 1.621000051 13.189999580 6.511000156 TYR 29 n N -0.500
+HN 2.223951578 13.259345055 5.678810120 TYR 29 hn H 0.280
+CA 0.714999974 12.045000076 6.657000065 TYR 29 ca C 0.120
+HA -0.294524491 12.413607597 6.838903904 TYR 29 h H 0.100
+C 1.125000000 11.125000000 7.815000057 TYR 29 c' C 0.380
+O 0.286000013 10.631999969 8.545000076 TYR 29 o' O -0.380
+CB 0.754999995 11.229000092 5.322000027 TYR 29 c2 C -0.200
+HB1 0.514248192 11.922528267 4.516296864 TYR 29 h H 0.100
+HB2 1.786919236 10.911371231 5.172484398 TYR 29 h H 0.100
+CG -0.202999994 10.043999672 5.354000092 TYR 29 cp C 0.000
+CD1 -1.547000051 10.336999893 5.644999981 TYR 29 cp C -0.100
+HD1 -1.844175816 11.365451813 5.850120068 TYR 29 h H 0.100
+CD2 0.193000004 8.750000000 5.099999905 TYR 29 cp C -0.100
+HD2 1.231727839 8.520407677 4.862445831 TYR 29 h H 0.100
+CE1 -2.496000051 9.329000473 5.672999859 TYR 29 cp C -0.100
+HE1 -3.542724609 9.551148415 5.880649567 TYR 29 h H 0.100
+CE2 -0.800999999 7.704999924 5.156000137 TYR 29 cp C -0.100
+HE2 -0.521442473 6.666428089 4.979036331 TYR 29 h H 0.100
+CZ -2.078999996 8.031000137 5.429999828 TYR 29 cp C 0.030
+OH -3.096999884 7.057000160 5.458000183 TYR 29 oh O -0.380
+HH -4.016462326 7.520978928 5.472573757 TYR 29 ho H 0.350
+N 2.470000029 10.984000206 7.994999886 THR 30 n N -0.500
+HN 3.124760151 11.572608948 7.460463524 THR 30 hn H 0.280
+CA 2.986000061 9.994000435 8.949999809 THR 30 ca C 0.120
+HA 2.109365702 9.410336494 9.230978012 THR 30 h H 0.100
+C 3.608999968 10.505000114 10.229999542 THR 30 c' C 0.380
+O 3.766000032 9.715000153 11.185999870 THR 30 o' O -0.380
+CB 4.076000214 9.102999687 8.225000381 THR 30 c1 C -0.070
+HB 4.516047001 8.447491646 8.976511002 THR 30 h H 0.100
+OG1 5.125000000 10.027000427 7.823999882 THR 30 oh O -0.380
+HG1 5.989885330 9.809993744 8.339540482 THR 30 ho H 0.350
+CG2 3.493000031 8.324000359 7.034999847 THR 30 c3 C -0.300
+HG21 4.283595562 7.746788025 6.555538177 THR 30 h H 0.100
+HG22 2.714145184 7.648486614 7.388787270 THR 30 h H 0.100
+HG23 3.067262888 9.023551941 6.315641403 THR 30 h H 0.100
+N 3.983999968 11.763999939 10.241000175 GLY 31 n N -0.500
+HN 3.725119591 12.370410919 9.449706078 GLY 31 hn H 0.280
+CA 4.769000053 12.336000443 11.359999657 GLY 31 cg C 0.020
+HA1 4.444449425 13.369131088 11.484130859 GLY 31 h H 0.100
+HA2 4.479221344 11.798232079 12.262736320 GLY 31 h H 0.100
+C 6.255000114 12.243000031 11.105999947 GLY 31 c' C 0.380
+O 7.037000179 12.750000000 11.954000473 GLY 31 o' O -0.380
+N 6.710000038 11.630999565 9.991999626 CYS 32 n N -0.500
+HN 6.054100990 11.116460800 9.387064934 CYS 32 hn H 0.280
+CA 8.140000343 11.694000244 9.635000229 CYS 32 ca C 0.120
+HA 8.678412437 11.410507202 10.539347649 CYS 32 h H 0.100
+C 8.500000000 13.140999794 9.206000328 CYS 32 c' C 0.380
+O 7.580999851 13.949000359 8.944000244 CYS 32 o' O -0.380
+CB 8.503999710 10.685999870 8.529999733 CYS 32 c2 C -0.300
+HB1 7.987734795 10.995699883 7.621343136 CYS 32 h H 0.100
+HB2 9.584586143 10.726516724 8.392916679 CYS 32 h H 0.100
+SG 8.048000336 8.987000465 8.880999565 CYS 32 s1 S 0.100
+N 9.793000221 13.409999847 9.173000336 ILE 33 n N -0.500
+HN 10.471553802 12.667460442 9.394585609 ILE 33 hn H 0.280
+CA 10.279999733 14.760000229 8.822999954 ILE 33 ca C 0.120
+HA 9.389740944 15.283022881 8.473735809 ILE 33 h H 0.100
+C 11.345999718 14.657999992 7.743000031 ILE 33 c' C 0.380
+O 11.970999718 13.583000183 7.552000046 ILE 33 o' O -0.380
+CB 10.789999962 15.534999847 10.085000038 ILE 33 c1 C -0.100
+HB 11.123229027 16.501873016 9.707884789 ILE 33 h H 0.100
+CG1 12.059000015 14.803000450 10.670999527 ILE 33 c2 C -0.200
+HG11 11.743847847 13.842393875 11.078448296 ILE 33 h H 0.100
+HG12 12.756343842 14.617484093 9.854057312 ILE 33 h H 0.100
+CG2 9.684000015 15.685999870 11.137999535 ILE 33 c3 C -0.300
+HG21 10.058896065 16.270494461 11.978191376 ILE 33 h H 0.100
+HG22 8.827452660 16.194667816 10.695638657 ILE 33 h H 0.100
+HG23 9.378940582 14.700247765 11.489184380 ILE 33 h H 0.100
+CD1 12.732999802 15.675999641 11.781000137 ILE 33 c3 C -0.300
+HD11 12.021772385 15.850844383 12.588270187 ILE 33 h H 0.100
+HD12 13.606328964 15.155009270 12.173381805 ILE 33 h H 0.100
+HD13 13.041068077 16.631135941 11.355658531 ILE 33 h H 0.100
+N 11.489999771 15.772999763 7.038000107 ILE 34 n N -0.500
+HN 10.853153229 16.566915512 7.196191311 ILE 34 hn H 0.280
+CA 12.552000046 15.876999855 6.035999775 ILE 34 ca C 0.120
+HA 13.043725967 14.912866592 5.906565666 ILE 34 h H 0.100
+C 13.590000153 16.916999817 6.559999943 ILE 34 c' C 0.380
+O 13.168000221 18.006000519 6.945000172 ILE 34 o' O -0.380
+CB 11.987000465 16.360000610 4.681000233 ILE 34 c1 C -0.100
+HB 11.502662659 17.321004868 4.854168892 ILE 34 h H 0.100
+CG1 10.913999557 15.338000298 4.163000107 ILE 34 c2 C -0.200
+HG11 11.380437851 14.426782608 3.788544178 ILE 34 h H 0.100
+HG12 10.170696259 15.118617058 4.929467201 ILE 34 h H 0.100
+CG2 13.130999565 16.517000198 3.628999949 ILE 34 c3 C -0.300
+HG21 12.714348793 16.881505966 2.690041304 ILE 34 h H 0.100
+HG22 13.869889259 17.228136063 3.998366594 ILE 34 h H 0.100
+HG23 13.608166695 15.551076889 3.463472128 ILE 34 h H 0.100
+CD1 10.151000023 16.024000168 2.937999964 ILE 34 c3 C -0.300
+HD11 10.865941048 16.258329391 2.149300337 ILE 34 h H 0.100
+HD12 9.395269394 15.340338707 2.551244020 ILE 34 h H 0.100
+HD13 9.670580864 16.941936493 3.276658058 ILE 34 h H 0.100
+N 14.855999947 16.493000031 6.535999775 ILE 35 n N -0.500
+HN 15.087069511 15.531770706 6.246958256 ILE 35 hn H 0.280
+CA 15.930000305 17.454000473 6.940999985 ILE 35 ca C 0.120
+HA 15.448633194 18.412040710 7.137327194 ILE 35 h H 0.100
+C 16.913000107 17.549999237 5.818999767 ILE 35 c' C 0.380
+O 17.097000122 16.659999847 4.969999790 ILE 35 o' O -0.380
+CB 16.621999741 16.995000839 8.284999847 ILE 35 c1 C -0.100
+HB 17.372821808 17.751832962 8.512095451 ILE 35 h H 0.100
+CG1 17.360000610 15.651000023 8.067000389 ILE 35 c2 C -0.200
+HG11 16.597890854 14.882443428 7.938127518 ILE 35 h H 0.100
+HG12 17.962522507 15.757192612 7.164896488 ILE 35 h H 0.100
+CG2 15.592000008 16.974000931 9.434000015 ILE 35 c3 C -0.300
+HG21 16.095645905 16.731447220 10.369737625 ILE 35 h H 0.100
+HG22 15.121275902 17.953468323 9.518616676 ILE 35 h H 0.100
+HG23 14.830537796 16.222230911 9.226348877 ILE 35 h H 0.100
+CD1 18.298000336 15.206000328 9.218999863 ILE 35 c3 C -0.300
+HD11 17.719526291 15.091951370 10.135765076 ILE 35 h H 0.100
+HD12 18.762899399 14.254055977 8.962544441 ILE 35 h H 0.100
+HD13 19.071800232 15.958778381 9.369535446 ILE 35 h H 0.100
+N 17.663999557 18.669000626 5.806000233 PRO 36 n N -0.420
+CA 18.635000229 18.861000061 4.737999916 PRO 36 ca C 0.060
+HA 18.191711426 18.625682831 3.770414352 PRO 36 h H 0.100
+CD 17.371000290 19.899999619 6.596000195 PRO 36 c2 C 0.060
+HD1 17.637220383 19.770334244 7.645006180 PRO 36 h H 0.100
+HD2 16.312007904 20.154773712 6.554459572 PRO 36 h H 0.100
+C 19.924999237 18.041999817 4.948999882 PRO 36 c' C 0.380
+O 20.593000412 17.742000580 3.944999933 PRO 36 o' O -0.380
+CB 18.944999695 20.364000320 4.782999992 PRO 36 c2 C -0.200
+HB1 20.011636734 20.533958435 4.929625034 PRO 36 h H 0.100
+HB2 18.596609116 20.857370377 3.875635624 PRO 36 h H 0.100
+CG 18.238000870 20.937000275 5.907999992 PRO 36 c2 C -0.200
+HG1 18.980670929 21.346309662 6.592840672 PRO 36 h H 0.100
+HG2 17.637973785 21.766929626 5.534794807 PRO 36 h H 0.100
+N 20.172000885 17.729999542 6.217000008 GLY 37 n N -0.500
+HN 19.520402908 17.994186401 6.969678879 GLY 37 hn H 0.280
+CA 21.451999664 16.968999863 6.513000011 GLY 37 cg C 0.020
+HA1 22.220170975 17.196077347 5.773777485 GLY 37 h H 0.100
+HA2 21.806970596 17.180898666 7.521560192 GLY 37 h H 0.100
+C 21.142999649 15.477999687 6.427000046 GLY 37 c' C 0.380
+O 20.138000488 15.022999763 5.877999783 GLY 37 o' O -0.380
+N 22.055000305 14.701000214 7.032000065 ALA 38 n N -0.500
+HN 22.826601028 15.162067413 7.534940720 ALA 38 hn H 0.280
+CA 22.018999100 13.241999626 7.019999981 ALA 38 ca C 0.120
+HA 21.118928909 12.994981766 6.457010269 ALA 38 h H 0.100
+C 21.944000244 12.628000259 8.395999908 ALA 38 c' C 0.380
+O 21.868999481 11.387000084 8.435000420 ALA 38 o' O -0.380
+CB 23.246000290 12.696999550 6.275000095 ALA 38 c3 C -0.300
+HB1 23.164216995 11.613998413 6.182674408 ALA 38 h H 0.100
+HB2 23.296331406 13.143034935 5.281710148 ALA 38 h H 0.100
+HB3 24.149721146 12.946521759 6.830985546 ALA 38 h H 0.100
+N 21.893999100 13.435000420 9.435999870 THR 39 n N -0.500
+HN 21.824220657 14.451409340 9.284524918 THR 39 hn H 0.280
+CA 21.936000824 12.911000252 10.809000015 THR 39 ca C 0.120
+HA 22.114582062 11.836632729 10.764920235 THR 39 h H 0.100
+C 20.614999771 13.190999985 11.520999908 THR 39 c' C 0.380
+O 20.357000351 14.317000389 11.947999954 THR 39 o' O -0.380
+CB 23.131000519 13.600999832 11.593000412 THR 39 c1 C -0.070
+HB 22.981323242 14.676721573 11.685302734 THR 39 h H 0.100
+OG1 24.284000397 13.401000023 10.708999634 THR 39 oh O -0.380
+HG1 24.421899796 14.240586281 10.128500938 THR 39 ho H 0.350
+CG2 23.340000153 12.935000420 12.961999893 THR 39 c3 C -0.300
+HG21 24.219049454 13.362584114 13.444229126 THR 39 h H 0.100
+HG22 22.463815689 13.106077194 13.587406158 THR 39 h H 0.100
+HG23 23.485591888 11.863260269 12.826802254 THR 39 h H 0.100
+N 19.826999664 12.109999657 11.642000198 CYS 40 n N -0.500
+HN 20.122940063 11.185415268 11.297814369 CYS 40 hn H 0.280
+CA 18.503999710 12.312000275 12.298000336 CYS 40 ca C 0.120
+HA 18.057098389 13.220839500 11.895023346 CYS 40 h H 0.100
+C 18.684000015 12.451000214 13.784000397 CYS 40 c' C 0.380
+O 19.533000946 11.718000412 14.362000465 CYS 40 o' O -0.380
+CB 17.582000732 11.116999626 11.996000290 CYS 40 c2 C -0.300
+HB1 18.086227417 10.251184464 12.425209045 CYS 40 h H 0.100
+HB2 16.700305939 11.271791458 12.617895126 CYS 40 h H 0.100
+SG 17.198999405 10.928999901 10.237000465 CYS 40 s1 S 0.100
+N 17.879999161 13.265999794 14.425999641 PRO 41 n N -0.420
+CA 17.923999786 13.420999527 15.876999855 PRO 41 ca C 0.060
+HA 18.941534042 13.662834167 16.183986664 PRO 41 h H 0.100
+CD 16.858999252 14.149999619 13.779000282 PRO 41 c2 C 0.060
+HD1 16.215919495 13.587250710 13.102345467 PRO 41 h H 0.100
+HD2 17.329374313 14.943244934 13.197958946 PRO 41 h H 0.100
+C 17.392000198 12.206000328 16.593999863 PRO 41 c' C 0.380
+O 16.652000427 11.368000031 16.033000946 PRO 41 o' O -0.380
+CB 17.076000214 14.657999992 16.145000458 PRO 41 c2 C -0.200
+HB1 16.444255829 14.584781647 17.030233383 PRO 41 h H 0.100
+HB2 17.617696762 15.599854469 16.057970047 PRO 41 h H 0.100
+CG 16.097999573 14.689000130 14.996999741 PRO 41 c2 C -0.200
+HG1 15.253420830 14.016077042 15.145191193 PRO 41 h H 0.100
+HG2 15.789084435 15.700772285 14.734343529 PRO 41 h H 0.100
+N 17.728000641 12.123999596 17.884000778 GLY 42 n N -0.500
+HN 18.268247604 12.885299683 18.319267273 GLY 42 hn H 0.280
+CA 17.333999634 10.956000328 18.690999985 GLY 42 cg C 0.020
+HA1 17.766984940 10.084270477 18.200376511 GLY 42 h H 0.100
+HA2 17.761390686 11.109748840 19.681858063 GLY 42 h H 0.100
+C 15.875000000 10.687999725 18.871000290 GLY 42 c' C 0.380
+O 15.434000015 9.550000191 19.166000366 GLY 42 o' O -0.380
+N 15.036000252 11.746999741 18.715000153 ASP 43 n N -0.500
+HN 15.424054146 12.679033279 18.510971069 ASP 43 hn H 0.280
+CA 13.564000130 11.572999954 18.836000443 ASP 43 ca C 0.120
+HA 13.474464417 10.696401596 19.477605820 ASP 43 h H 0.100
+C 12.935999870 11.227000237 17.469999313 ASP 43 c' C 0.380
+O 11.720000267 11.039999962 17.427999496 ASP 43 o' O -0.380
+CB 12.932999611 12.737000465 19.579999924 ASP 43 c2 C -0.200
+HB1 11.860553741 12.547567368 19.625556946 ASP 43 h H 0.100
+HB2 13.367670059 12.754883766 20.579420090 ASP 43 h H 0.100
+CG 13.140000343 14.093999863 18.958000183 ASP 43 c' C 0.380
+OD1 14.109000206 14.303000450 18.211999893 ASP 43 o' O -0.350
+OD2 12.267000198 14.963000298 19.264999390 ASP 43 oh O -0.380
+HD2 12.695192337 15.899699211 19.252908707 ASP 43 ho H 0.350
+N 13.725000381 11.173999786 16.424999237 TYR 44 n N -0.500
+HN 14.713005066 11.441411018 16.540052414 TYR 44 hn H 0.280
+CA 13.256999969 10.744999886 15.081000328 TYR 44 ca C 0.120
+HA 12.264418602 10.301728249 15.160951614 TYR 44 h H 0.100
+C 14.274999619 9.687000275 14.612000465 TYR 44 c' C 0.380
+O 14.930000305 9.862000465 13.567999840 TYR 44 o' O -0.380
+CB 13.199999809 11.913999557 14.071000099 TYR 44 c2 C -0.200
+HB1 14.121270180 12.493051529 14.134719849 TYR 44 h H 0.100
+HB2 13.091276169 11.516075134 13.062071800 TYR 44 h H 0.100
+CG 12.000000000 12.819000244 14.399000168 TYR 44 cp C 0.000
+CD1 12.119000435 13.852999687 15.331999779 TYR 44 cp C -0.100
+HD1 13.067806244 14.011770248 15.844503403 TYR 44 h H 0.100
+CD2 10.774999619 12.616999626 13.762000084 TYR 44 cp C -0.100
+HD2 10.673528671 11.813380241 13.032616615 TYR 44 h H 0.100
+CE1 11.045000076 14.675000191 15.609999657 TYR 44 cp C -0.100
+HE1 11.163392067 15.500525475 16.311847687 TYR 44 h H 0.100
+CE2 9.675999641 13.432999611 14.048000336 TYR 44 cp C -0.100
+HE2 8.726944923 13.273748398 13.536108017 TYR 44 h H 0.100
+CZ 9.802000046 14.456000328 14.996000290 TYR 44 cp C 0.030
+OH 8.739999771 15.265000343 15.269000053 TYR 44 oh O -0.380
+HH 9.048466682 16.247716904 15.272980690 TYR 44 ho H 0.350
+N 14.342000008 8.640000343 15.421999931 ALA 45 n N -0.500
+HN 13.638368607 8.505084991 16.162000656 ALA 45 hn H 0.280
+CA 15.444999695 7.666999817 15.246000290 ALA 45 ca C 0.120
+HA 16.332574844 8.216528893 14.932426453 ALA 45 h H 0.100
+C 15.170999527 6.532999992 14.279999733 ALA 45 c' C 0.380
+O 16.093000412 5.704999924 14.038999557 ALA 45 o' O -0.380
+CB 15.680000305 7.098999977 16.681999207 ALA 45 c3 C -0.300
+HB1 16.535034180 6.423069000 16.670495987 ALA 45 h H 0.100
+HB2 15.876356125 7.920741558 17.370683670 ALA 45 h H 0.100
+HB3 14.792826653 6.556271553 17.008296967 ALA 45 h H 0.100
+N 13.965999603 6.501999855 13.739000320 ASNC 46 n N -0.500
+HN 13.318986893 7.281283855 13.926057816 ASNC 46 hn H 0.280
+CA 13.512000084 5.394999981 12.878000259 ASNC 46 ca C 0.120
+HA 14.292015076 4.641647816 12.988171577 ASNC 46 h H 0.100
+C 13.310999870 5.853000164 11.454999924 ASNC 46 c- C 0.140
+O 13.732999802 6.928999901 11.026000023 ASNC 46 o- O -0.570
+OXT 12.703000069 4.973000050 10.746000290 ASNC 46 o- O -0.570
+CB 12.265999794 4.769000053 13.501000404 ASNC 46 c2 C -0.200
+HB1 11.471806526 5.515164375 13.476576805 ASNC 46 h H 0.100
+HB2 11.959742546 3.937092304 12.866779327 ASNC 46 h H 0.100
+CG 12.538000107 4.303999901 14.921999931 ASNC 46 c' C 0.380
+OD1 11.982000351 4.848999977 15.885999680 ASNC 46 o' O -0.380
+ND2 13.406999588 3.298000097 15.015000343 ASNC 46 n2 N -0.560
+HD21 13.826193810 2.899175167 14.162875175 ASNC 46 hn H 0.280
+HD22 13.659525871 2.919377804 15.938999176 ASNC 46 hn H 0.280
+end
+end
+
diff --git a/tools/msi2lmp/test/crambin.mdf b/tools/msi2lmp/test/crambin.mdf
new file mode 100644
index 0000000000..9539629ee2
--- /dev/null
+++ b/tools/msi2lmp/test/crambin.mdf
@@ -0,0 +1,840 @@
+!BIOSYM molecular_data 4
+
+!DATE: Mon Jul 14 13:41:24 1997 INSIGHT generated molecular data file
+
+#topology
+
+@column 1 element
+@column 2 atom_type cvff
+@column 3 charge_group cvff
+@column 4 isotope
+@column 5 formal_charge
+@column 6 charge cvff
+@column 7 switching_atom cvff
+@column 8 oop_flag cvff
+@column 9 chirality_flag
+@column 10 occupancy
+@column 11 xray_temp_factor
+@column 12 connections
+
+@molecule CRAMBIN
+
+THRN_1:N N n4 pep+ 0 0 -0.5000 1 0 8 1.0000 13.7900 CA HN1 HN2 HN3
+THRN_1:HN3 H hn pep+ 0 0 0.3600 0 0 8 1.0000 0.0000 N
+THRN_1:HN1 H hn pep+ 0 0 0.3600 0 0 8 1.0000 0.0000 N
+THRN_1:HN2 H hn pep+ 0 0 0.3600 0 0 8 1.0000 0.0000 N
+THRN_1:CA C ca pep+ 0 0 0.3200 0 0 8 1.0000 10.8000 C CB N HA
+THRN_1:HA H h pep+ 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+THRN_1:C C c' pepC 0 0 0.3800 1 1 8 1.0000 9.1900 O/2.0 CA THR_2:N/1.5
+THRN_1:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 9.8500 C/2.0
+THRN_1:CB C c1 cBoh 0 0 -0.0700 0 0 8 1.0000 13.0200 CG2 OG1 CA HB
+THRN_1:HB H h cBoh 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+THRN_1:OG1 O oh cBoh 0 0 -0.3800 1 0 8 1.0000 15.0600 CB HG1
+THRN_1:HG1 H ho cBoh 0 0 0.3500 0 0 8 1.0000 0.0000 OG1
+THRN_1:CG2 C c3 meG 0 0 -0.3000 1 0 8 1.0000 14.2300 CB HG21 HG22 HG23
+THRN_1:HG21 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THRN_1:HG22 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THRN_1:HG23 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_2:N N n pepN 0 0 -0.5000 1 1 8 1.0000 7.8100 CA THRN_1:C/1.5 HN
+THR_2:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+THR_2:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 8.3100 C CB N HA
+THR_2:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+THR_2:C C c' pepC 0 0 0.3800 1 1 8 1.0000 5.8000 O/2.0 CA CYS_3:N/1.5
+THR_2:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 6.9400 C/2.0
+THR_2:CB C c1 cBoh 0 0 -0.0700 0 0 8 1.0000 10.3200 CG2 OG1 CA HB
+THR_2:HB H h cBoh 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+THR_2:OG1 O oh cBoh 0 0 -0.3800 1 0 8 1.0000 12.8100 CB HG1
+THR_2:HG1 H ho cBoh 0 0 0.3500 0 0 8 1.0000 0.0000 OG1
+THR_2:CG2 C c3 meG 0 0 -0.3000 1 0 8 1.0000 11.9000 CB HG21 HG22 HG23
+THR_2:HG21 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_2:HG22 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_2:HG23 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+CYS_3:N N n pepN 0 0 -0.5000 1 1 8 1.0000 5.2400 CA THR_2:C/1.5 HN
+CYS_3:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+CYS_3:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 5.3900 C CB N HA
+CYS_3:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+CYS_3:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.4500 O/2.0 CA CYS_4:N/1.5
+CYS_3:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 6.5400 C/2.0
+CYS_3:CB C c2 cs 0 0 -0.3000 1 0 8 1.0000 5.9900 SG CA HB1 HB2
+CYS_3:HB1 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_3:HB2 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_3:SG S s1 cs 0 0 0.1000 0 0 8 1.0000 7.0100 CB CYS_40:SG
+CYS_4:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.9000 CA CYS_3:C/1.5 HN
+CYS_4:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+CYS_4:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 4.2400 C CB N HA
+CYS_4:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+CYS_4:C C c' pepC 0 0 0.3800 1 1 8 1.0000 3.7200 O/2.0 CA PRO_5:N/1.5
+CYS_4:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 5.3000 C/2.0
+CYS_4:CB C c2 cs 0 0 -0.3000 1 0 8 1.0000 4.4100 SG CA HB1 HB2
+CYS_4:HB1 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_4:HB2 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_4:SG S s1 cs 0 0 0.1000 0 0 8 1.0000 4.7200 CB CYS_32:SG
+PRO_5:N N n pepN 0 0 -0.4200 1 1 8 1.0000 3.9600 CA CD CYS_4:C/1.5
+PRO_5:CA C ca pepN 0 0 0.0600 0 0 8 1.0000 4.2500 C CB N HA
+PRO_5:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+PRO_5:CD C c2 pepN 0 0 0.0600 0 0 8 1.0000 5.2000 N CG HD1 HD2
+PRO_5:HD1 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CD
+PRO_5:HD2 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CD
+PRO_5:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.9600 O/2.0 CA SER_6:N/1.5
+PRO_5:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 7.4400 C/2.0
+PRO_5:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 5.1100 CG CA HB1 HB2
+PRO_5:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PRO_5:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PRO_5:CG C c2 meG 0 0 -0.2000 1 0 8 1.0000 5.2400 CD CB HG1 HG2
+PRO_5:HG1 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+PRO_5:HG2 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+SER_6:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.8300 CA PRO_5:C/1.5 HN
+SER_6:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+SER_6:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 4.4500 C CB N HA
+SER_6:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+SER_6:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.9900 O/2.0 CA ILE_7:N/1.5
+SER_6:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 4.6100 C/2.0
+SER_6:CB C c2 coh 0 0 -0.1700 0 0 8 1.0000 5.0500 OG CA HB1 HB2
+SER_6:HB1 H h coh 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+SER_6:HB2 H h coh 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+SER_6:OG O oh coh 0 0 -0.3800 1 0 8 1.0000 6.3900 CB HG
+SER_6:HG H ho coh 0 0 0.3500 0 0 8 1.0000 0.0000 OG
+ILE_7:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.9400 CA SER_6:C/1.5 HN
+ILE_7:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ILE_7:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 6.3300 C CB N HA
+ILE_7:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ILE_7:C C c' pepC 0 0 0.3800 1 1 8 1.0000 5.3200 O/2.0 CA VAL_8:N/1.5
+ILE_7:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 6.8500 C/2.0
+ILE_7:CB C c1 meB 0 0 -0.1000 1 0 8 1.0000 8.4300 CG2 CG1 CA HB
+ILE_7:HB H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ILE_7:CG1 C c2 meG1 0 0 -0.2000 1 0 8 1.0000 9.7800 CD1 CB HG11 HG12
+ILE_7:HG11 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+ILE_7:HG12 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+ILE_7:CG2 C c3 meG2 0 0 -0.3000 1 0 8 1.0000 11.7000 CB HG21 HG22 HG23
+ILE_7:HG21 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_7:HG22 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_7:HG23 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_7:CD1 C c3 meD1 0 0 -0.3000 1 0 8 1.0000 9.9200 CG1 HD11 HD12 HD13
+ILE_7:HD11 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_7:HD12 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_7:HD13 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+VAL_8:N N n pepN 0 0 -0.5000 1 1 8 1.0000 5.0200 CA ILE_7:C/1.5 HN
+VAL_8:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+VAL_8:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 6.9300 C CB N HA
+VAL_8:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+VAL_8:C C c' pepC 0 0 0.3800 1 1 8 1.0000 5.3900 O/2.0 CA ALA_9:N/1.5
+VAL_8:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 6.3000 C/2.0
+VAL_8:CB C c1 meB 0 0 -0.1000 1 0 8 1.0000 9.6400 CG1 CG2 CA HB
+VAL_8:HB H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+VAL_8:CG1 C c3 meG1 0 0 -0.3000 1 0 8 1.0000 13.8500 CB HG11 HG12 HG13
+VAL_8:HG11 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+VAL_8:HG12 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+VAL_8:HG13 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+VAL_8:CG2 C c3 meG2 0 0 -0.3000 1 0 8 1.0000 11.9700 CB HG21 HG22 HG23
+VAL_8:HG21 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+VAL_8:HG22 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+VAL_8:HG23 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ALA_9:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.7300 CA VAL_8:C/1.5 HN
+ALA_9:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ALA_9:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 3.5600 C CB N HA
+ALA_9:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ALA_9:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.1300 O/2.0 CA ARG_10:N/1.5
+ALA_9:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 4.3600 C/2.0
+ALA_9:CB C c3 meB 0 0 -0.3000 1 0 8 1.0000 4.8000 CA HB1 HB2 HB3
+ALA_9:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ALA_9:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ALA_9:HB3 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ARG_10:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.7300 CA ALA_9:C/1.5 HN
+ARG_10:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ARG_10:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 3.3800 C CB N HA
+ARG_10:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ARG_10:C C c' pepC 0 0 0.3800 1 1 8 1.0000 3.4700 O/2.0 CA SER_11:N/1.5
+ARG_10:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 4.6700 C/2.0
+ARG_10:CB C c2 c3nc 0 0 -0.2000 0 0 8 1.0000 3.9500 CG CA HB1 HB2
+ARG_10:HB1 H h c3nc 0 0 0.1100 0 0 8 1.0000 0.0000 CB
+ARG_10:HB2 H h c3nc 0 0 0.1100 0 0 8 1.0000 0.0000 CB
+ARG_10:CG C c2 c3nc 0 0 -0.2000 0 0 8 1.0000 4.5500 CD CB HG1 HG2
+ARG_10:HG1 H h c3nc 0 0 0.1300 0 0 8 1.0000 0.0000 CG
+ARG_10:HG2 H h c3nc 0 0 0.1300 0 0 8 1.0000 0.0000 CG
+ARG_10:CD C c2 c3nc 0 0 -0.1600 1 0 8 1.0000 5.8900 NE CG HD1 HD2
+ARG_10:HD1 H h c3nc 0 0 0.1300 0 0 8 1.0000 0.0000 CD
+ARG_10:HD2 H h c3nc 0 0 0.1300 0 0 8 1.0000 0.0000 CD
+ARG_10:NE N n c3nc 0 0 -0.5600 0 0 8 1.0000 6.2000 CZ/2.0 CD
+ARG_10:CZ C cr c3nc 0 0 0.3800 0 1 8 1.0000 7.5200 NH1 NH2 NE/2.0
+ARG_10:NH1 N n2 am1 0 0 -0.5600 1 1 8 1.0000 10.6800 CZ HH11 HH12
+ARG_10:HH11 H hn am1 0 0 0.2800 0 0 8 1.0000 0.0000 NH1
+ARG_10:HH12 H hn am1 0 0 0.2800 0 0 8 1.0000 0.0000 NH1
+ARG_10:NH2 N n2 am2 0 0 -0.5600 1 1 8 1.0000 9.4800 CZ HH21 HH22
+ARG_10:HH21 H hn am2 0 0 0.2800 0 0 8 1.0000 0.0000 NH2
+ARG_10:HH22 H hn am2 0 0 0.2800 0 0 8 1.0000 0.0000 NH2
+SER_11:N N n pepN 0 0 -0.5000 1 1 8 1.0000 5.1900 CA ARG_10:C/1.5 HN
+SER_11:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+SER_11:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 4.6000 C CB N HA
+SER_11:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+SER_11:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.8400 O/2.0 CA ASN_12:N/1.5
+SER_11:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 5.8400 C/2.0
+SER_11:CB C c2 coh 0 0 -0.1700 0 0 8 1.0000 5.9100 OG CA HB1 HB2
+SER_11:HB1 H h coh 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+SER_11:HB2 H h coh 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+SER_11:OG O oh coh 0 0 -0.3800 1 0 8 1.0000 8.3800 CB HG
+SER_11:HG H ho coh 0 0 0.3500 0 0 8 1.0000 0.0000 OG
+ASN_12:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.5400 CA SER_11:C/1.5 HN
+ASN_12:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ASN_12:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 4.5700 C CB N HA
+ASN_12:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ASN_12:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.1400 O/2.0 CA PHE_13:N/1.5
+ASN_12:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 5.5200 C/2.0
+ASN_12:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 6.4200 CG CA HB1 HB2
+ASN_12:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ASN_12:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ASN_12:CG C c' coG 0 0 0.3800 1 1 8 1.0000 8.2500 OD1/2.0 ND2/1.5 CB
+ASN_12:OD1 O o' coG 0 0 -0.3800 0 0 8 1.0000 12.7200 CG/2.0
+ASN_12:ND2 N n2 amD 0 0 -0.5600 1 1 8 1.0000 9.9200 CG/1.5 HD21 HD22
+ASN_12:HD21 H hn amD 0 0 0.2800 0 0 8 1.0000 0.0000 ND2
+ASN_12:HD22 H hn amD 0 0 0.2800 0 0 8 1.0000 0.0000 ND2
+PHE_13:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.4300 CA ASN_12:C/1.5 HN
+PHE_13:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+PHE_13:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 3.4900 C CB N HA
+PHE_13:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+PHE_13:C C c' pepC 0 0 0.3800 1 1 8 1.0000 3.4000 O/2.0 CA ASN_14:N/1.5
+PHE_13:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 4.0700 C/2.0
+PHE_13:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 5.4800 CG CA HB1 HB2
+PHE_13:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PHE_13:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PHE_13:CG C cp arG 0 0 0.0000 1 1 8 1.0000 5.5700 CD1/1.5 CD2/1.5 CB
+PHE_13:CD1 C cp arD1 0 0 -0.1000 1 1 8 1.0000 6.9900 CE1/1.5 CG/1.5 HD1
+PHE_13:HD1 H h arD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+PHE_13:CD2 C cp arD2 0 0 -0.1000 1 1 8 1.0000 6.5200 CG/1.5 CE2/1.5 HD2
+PHE_13:HD2 H h arD2 0 0 0.1000 0 0 8 1.0000 0.0000 CD2
+PHE_13:CE1 C cp arE1 0 0 -0.1000 1 1 8 1.0000 8.2000 CZ/1.5 CD1/1.5 HE1
+PHE_13:HE1 H h arE1 0 0 0.1000 0 0 8 1.0000 0.0000 CE1
+PHE_13:CE2 C cp arE2 0 0 -0.1000 1 1 8 1.0000 6.3400 CD2/1.5 CZ/1.5 HE2
+PHE_13:HE2 H h arE2 0 0 0.1000 0 0 8 1.0000 0.0000 CE2
+PHE_13:CZ C cp arZ 0 0 -0.1000 1 1 8 1.0000 6.8400 CE2/1.5 CE1/1.5 HZ
+PHE_13:HZ H h arZ 0 0 0.1000 0 0 8 1.0000 0.0000 CZ
+ASN_14:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.6400 CA PHE_13:C/1.5 HN
+ASN_14:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ASN_14:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 4.3100 C CB N HA
+ASN_14:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ASN_14:C C c' pepC 0 0 0.3800 1 1 8 1.0000 3.9800 O/2.0 CA VAL_15:N/1.5
+ASN_14:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 6.2200 C/2.0
+ASN_14:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 5.8100 CG CA HB1 HB2
+ASN_14:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ASN_14:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ASN_14:CG C c' coG 0 0 0.3800 1 1 8 1.0000 6.8200 OD1/2.0 ND2/1.5 CB
+ASN_14:OD1 O o' coG 0 0 -0.3800 0 0 8 1.0000 9.4300 CG/2.0
+ASN_14:ND2 N n2 amD 0 0 -0.5600 1 1 8 1.0000 8.2100 CG/1.5 HD21 HD22
+ASN_14:HD21 H hn amD 0 0 0.2800 0 0 8 1.0000 0.0000 ND2
+ASN_14:HD22 H hn amD 0 0 0.2800 0 0 8 1.0000 0.0000 ND2
+VAL_15:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.7600 CA ASN_14:C/1.5 HN
+VAL_15:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+VAL_15:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 3.9800 C CB N HA
+VAL_15:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+VAL_15:C C c' pepC 0 0 0.3800 1 1 8 1.0000 3.8000 O/2.0 CA CYS_16:N/1.5
+VAL_15:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 4.8500 C/2.0
+VAL_15:CB C c1 meB 0 0 -0.1000 1 0 8 1.0000 4.7100 CG1 CG2 CA HB
+VAL_15:HB H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+VAL_15:CG1 C c3 meG1 0 0 -0.3000 1 0 8 1.0000 6.6700 CB HG11 HG12 HG13
+VAL_15:HG11 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+VAL_15:HG12 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+VAL_15:HG13 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+VAL_15:CG2 C c3 meG2 0 0 -0.3000 1 0 8 1.0000 6.2600 CB HG21 HG22 HG23
+VAL_15:HG21 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+VAL_15:HG22 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+VAL_15:HG23 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+CYS_16:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.7900 CA VAL_15:C/1.5 HN
+CYS_16:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+CYS_16:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 3.5400 C CB N HA
+CYS_16:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+CYS_16:C C c' pepC 0 0 0.3800 1 1 8 1.0000 3.4800 O/2.0 CA ARG_17:N/1.5
+CYS_16:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 4.6300 C/2.0
+CYS_16:CB C c2 cs 0 0 -0.3000 1 0 8 1.0000 4.5800 SG CA HB1 HB2
+CYS_16:HB1 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_16:HB2 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_16:SG S s1 cs 0 0 0.1000 0 0 8 1.0000 5.6600 CB CYS_26:SG
+ARG_17:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.9900 CA CYS_16:C/1.5 HN
+ARG_17:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ARG_17:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 3.8300 C CB N HA
+ARG_17:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ARG_17:C C c' pepC 0 0 0.3800 1 1 8 1.0000 3.7900 O/2.0 CA LEU_18:N/1.5
+ARG_17:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 5.3900 C/2.0
+ARG_17:CB C c2 c3nc 0 0 -0.2000 0 0 8 1.0000 4.1100 CG CA HB1 HB2
+ARG_17:HB1 H h c3nc 0 0 0.1100 0 0 8 1.0000 0.0000 CB
+ARG_17:HB2 H h c3nc 0 0 0.1100 0 0 8 1.0000 0.0000 CB
+ARG_17:CG C c2 c3nc 0 0 -0.2000 0 0 8 1.0000 4.6900 CD CB HG1 HG2
+ARG_17:HG1 H h c3nc 0 0 0.1300 0 0 8 1.0000 0.0000 CG
+ARG_17:HG2 H h c3nc 0 0 0.1300 0 0 8 1.0000 0.0000 CG
+ARG_17:CD C c2 c3nc 0 0 -0.1600 1 0 8 1.0000 5.1000 NE CG HD1 HD2
+ARG_17:HD1 H h c3nc 0 0 0.1300 0 0 8 1.0000 0.0000 CD
+ARG_17:HD2 H h c3nc 0 0 0.1300 0 0 8 1.0000 0.0000 CD
+ARG_17:NE N n c3nc 0 0 -0.5600 0 0 8 1.0000 4.7100 CZ/2.0 CD
+ARG_17:CZ C cr c3nc 0 0 0.3800 0 1 8 1.0000 5.2800 NH1 NH2 NE/2.0
+ARG_17:NH1 N n2 am1 0 0 -0.5600 1 1 8 1.0000 6.6700 CZ HH11 HH12
+ARG_17:HH11 H hn am1 0 0 0.2800 0 0 8 1.0000 0.0000 NH1
+ARG_17:HH12 H hn am1 0 0 0.2800 0 0 8 1.0000 0.0000 NH1
+ARG_17:NH2 N n2 am2 0 0 -0.5600 1 1 8 1.0000 6.4100 CZ HH21 HH22
+ARG_17:HH21 H hn am2 0 0 0.2800 0 0 8 1.0000 0.0000 NH2
+ARG_17:HH22 H hn am2 0 0 0.2800 0 0 8 1.0000 0.0000 NH2
+LEU_18:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.7000 CA ARG_17:C/1.5 HN
+LEU_18:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+LEU_18:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 5.4600 C CB N HA
+LEU_18:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+LEU_18:C C c' pepC 0 0 0.3800 1 1 8 1.0000 5.1300 O/2.0 CA PRO_19:N/1.5
+LEU_18:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 5.5500 C/2.0
+LEU_18:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 6.4700 CG CA HB1 HB2
+LEU_18:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+LEU_18:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+LEU_18:CG C c1 meG 0 0 -0.1000 1 0 8 1.0000 7.4300 CD1 CD2 CB HG
+LEU_18:HG H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+LEU_18:CD1 C c3 meD1 0 0 -0.3000 1 0 8 1.0000 8.7000 CG HD11 HD12 HD13
+LEU_18:HD11 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+LEU_18:HD12 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+LEU_18:HD13 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+LEU_18:CD2 C c3 meD2 0 0 -0.3000 1 0 8 1.0000 9.3900 CG HD21 HD22 HD23
+LEU_18:HD21 H h meD2 0 0 0.1000 0 0 8 1.0000 0.0000 CD2
+LEU_18:HD22 H h meD2 0 0 0.1000 0 0 8 1.0000 0.0000 CD2
+LEU_18:HD23 H h meD2 0 0 0.1000 0 0 8 1.0000 0.0000 CD2
+PRO_19:N N n pepN 0 0 -0.4200 1 1 8 1.0000 4.2800 CA CD LEU_18:C/1.5
+PRO_19:CA C ca pepN 0 0 0.0600 0 0 8 1.0000 5.3800 C CB N HA
+PRO_19:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+PRO_19:CD C c2 pepN 0 0 0.0600 0 0 8 1.0000 6.4500 N CG HD1 HD2
+PRO_19:HD1 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CD
+PRO_19:HD2 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CD
+PRO_19:C C c' pepC 0 0 0.3800 1 1 8 1.0000 6.3000 O/2.0 CA GLY_20:N/1.5
+PRO_19:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 9.6200 C/2.0
+PRO_19:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 5.8700 CG CA HB1 HB2
+PRO_19:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PRO_19:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PRO_19:CG C c2 meG 0 0 -0.2000 1 0 8 1.0000 6.4700 CD CB HG1 HG2
+PRO_19:HG1 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+PRO_19:HG2 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+GLY_20:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.9400 CA PRO_19:C/1.5 HN
+GLY_20:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+GLY_20:CA C cg pepN 0 0 0.0200 0 0 8 1.0000 5.3900 C N HA1 HA2
+GLY_20:HA1 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+GLY_20:HA2 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+GLY_20:C C c' pepC 0 0 0.3800 1 1 8 1.0000 5.0300 O/2.0 CA THR_21:N/1.5
+GLY_20:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 7.3400 C/2.0
+THR_21:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.1000 CA GLY_20:C/1.5 HN
+THR_21:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+THR_21:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 3.9400 C CB N HA
+THR_21:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+THR_21:C C c' pepC 0 0 0.3800 1 1 8 1.0000 3.9600 O/2.0 CA PRO_22:N/1.5
+THR_21:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 5.8200 C/2.0
+THR_21:CB C c1 cBoh 0 0 -0.0700 0 0 8 1.0000 4.1300 CG2 OG1 CA HB
+THR_21:HB H h cBoh 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+THR_21:OG1 O oh cBoh 0 0 -0.3800 1 0 8 1.0000 5.4500 CB HG1
+THR_21:HG1 H ho cBoh 0 0 0.3500 0 0 8 1.0000 0.0000 OG1
+THR_21:CG2 C c3 meG 0 0 -0.3000 1 0 8 1.0000 5.4100 CB HG21 HG22 HG23
+THR_21:HG21 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_21:HG22 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_21:HG23 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+PRO_22:N N n pepN 0 0 -0.4200 1 1 8 1.0000 5.0400 CA CD THR_21:C/1.5
+PRO_22:CA C ca pepN 0 0 0.0600 0 0 8 1.0000 4.6900 C CB N HA
+PRO_22:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+PRO_22:CD C c2 pepN 0 0 0.0600 0 0 8 1.0000 4.9000 N CG HD1 HD2
+PRO_22:HD1 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CD
+PRO_22:HD2 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CD
+PRO_22:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.1900 O/2.0 CA GLU_23:N/1.5
+PRO_22:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 4.4700 C/2.0
+PRO_22:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 7.1200 CG CA HB1 HB2
+PRO_22:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PRO_22:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PRO_22:CG C c2 meG 0 0 -0.2000 1 0 8 1.0000 7.0300 CD CB HG1 HG2
+PRO_22:HG1 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+PRO_22:HG2 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+GLU_23:N N n pepN 0 0 -0.5000 1 1 8 1.0000 5.1600 CA PRO_22:C/1.5 HN
+GLU_23:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+GLU_23:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 5.3100 C CB N HA
+GLU_23:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+GLU_23:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.1100 O/2.0 CA ALA_24:N/1.5
+GLU_23:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 5.1100 C/2.0
+GLU_23:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 6.1600 CG CA HB1 HB2
+GLU_23:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+GLU_23:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+GLU_23:CG C c2 meG 0 0 -0.2000 1 0 8 1.0000 7.4800 CD CB HG1 HG2
+GLU_23:HG1 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+GLU_23:HG2 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+GLU_23:CD C c' cooh 0 0 0.3800 1 1 8 1.0000 9.4000 OE1/2.0 OE2 CG
+GLU_23:OE1 O o' cooh 0 0 -0.3500 0 0 8 1.0000 10.4000 CD/2.0
+GLU_23:OE2 O oh cooh 0 0 -0.3800 0 0 8 1.0000 13.3200 CD HE2
+GLU_23:HE2 H ho cooh 0 0 0.3500 0 0 8 1.0000 0.0000 OE2
+ALA_24:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.5600 CA GLU_23:C/1.5 HN
+ALA_24:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ALA_24:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 4.4900 C CB N HA
+ALA_24:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ALA_24:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.1000 O/2.0 CA ILE_25:N/1.5
+ALA_24:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 5.6400 C/2.0
+ALA_24:CB C c3 meB 0 0 -0.3000 1 0 8 1.0000 5.8000 CA HB1 HB2 HB3
+ALA_24:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ALA_24:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ALA_24:HB3 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ILE_25:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.3700 CA ALA_24:C/1.5 HN
+ILE_25:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ILE_25:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 5.4400 C CB N HA
+ILE_25:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ILE_25:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.3200 O/2.0 CA CYS_26:N/1.5
+ILE_25:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 4.7200 C/2.0
+ILE_25:CB C c1 meB 0 0 -0.1000 1 0 8 1.0000 6.4200 CG2 CG1 CA HB
+ILE_25:HB H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ILE_25:CG1 C c2 meG1 0 0 -0.2000 1 0 8 1.0000 7.5000 CD1 CB HG11 HG12
+ILE_25:HG11 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+ILE_25:HG12 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+ILE_25:CG2 C c3 meG2 0 0 -0.3000 1 0 8 1.0000 7.6500 CB HG21 HG22 HG23
+ILE_25:HG21 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_25:HG22 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_25:HG23 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_25:CD1 C c3 meD1 0 0 -0.3000 1 0 8 1.0000 7.8000 CG1 HD11 HD12 HD13
+ILE_25:HD11 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_25:HD12 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_25:HD13 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+CYS_26:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.9200 CA ILE_25:C/1.5 HN
+CYS_26:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+CYS_26:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 4.3700 C CB N HA
+CYS_26:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+CYS_26:C C c' pepC 0 0 0.3800 1 1 8 1.0000 3.9500 O/2.0 CA ALA_27:N/1.5
+CYS_26:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 4.7400 C/2.0
+CYS_26:CB C c2 cs 0 0 -0.3000 1 0 8 1.0000 4.6300 SG CA HB1 HB2
+CYS_26:HB1 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_26:HB2 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_26:SG S s1 cs 0 0 0.1000 0 0 8 1.0000 5.6100 CB CYS_16:SG
+ALA_27:N N n pepN 0 0 -0.5000 1 1 8 1.0000 3.8900 CA CYS_26:C/1.5 HN
+ALA_27:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ALA_27:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 4.4300 C CB N HA
+ALA_27:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ALA_27:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.2600 O/2.0 CA THR_28:N/1.5
+ALA_27:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 5.4400 C/2.0
+ALA_27:CB C c3 meB 0 0 -0.3000 1 0 8 1.0000 5.3600 CA HB1 HB2 HB3
+ALA_27:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ALA_27:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ALA_27:HB3 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+THR_28:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.5300 CA ALA_27:C/1.5 HN
+THR_28:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+THR_28:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 5.0800 C CB N HA
+THR_28:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+THR_28:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.6200 O/2.0 CA TYR_29:N/1.5
+THR_28:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 7.8000 C/2.0
+THR_28:CB C c1 cBoh 0 0 -0.0700 0 0 8 1.0000 6.0300 CG2 OG1 CA HB
+THR_28:HB H h cBoh 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+THR_28:OG1 O oh cBoh 0 0 -0.3800 1 0 8 1.0000 7.1900 CB HG1
+THR_28:HG1 H ho cBoh 0 0 0.3500 0 0 8 1.0000 0.0000 OG1
+THR_28:CG2 C c3 meG 0 0 -0.3000 1 0 8 1.0000 7.3400 CB HG21 HG22 HG23
+THR_28:HG21 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_28:HG22 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_28:HG23 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+TYR_29:N N n pepN 0 0 -0.5000 1 1 8 1.0000 5.0100 CA THR_28:C/1.5 HN
+TYR_29:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+TYR_29:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 6.6000 C CB N HA
+TYR_29:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+TYR_29:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.9200 O/2.0 CA THR_30:N/1.5
+TYR_29:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 7.1300 C/2.0
+TYR_29:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 9.6600 CG CA HB1 HB2
+TYR_29:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+TYR_29:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+TYR_29:CG C cp arG 0 0 0.0000 1 1 8 1.0000 11.5600 CD1/1.5 CD2/1.5 CB
+TYR_29:CD1 C cp arD1 0 0 -0.1000 1 1 8 1.0000 12.8500 CE1/1.5 CG/1.5 HD1
+TYR_29:HD1 H h arD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+TYR_29:CD2 C cp arD2 0 0 -0.1000 1 1 8 1.0000 14.4400 CG/1.5 CE2/1.5 HD2
+TYR_29:HD2 H h arD2 0 0 0.1000 0 0 8 1.0000 0.0000 CD2
+TYR_29:CE1 C cp arE1 0 0 -0.1000 1 1 8 1.0000 16.6100 CZ/1.5 CD1/1.5 HE1
+TYR_29:HE1 H h arE1 0 0 0.1000 0 0 8 1.0000 0.0000 CE1
+TYR_29:CE2 C cp arE2 0 0 -0.1000 1 1 8 1.0000 17.1100 CD2/1.5 CZ/1.5 HE2
+TYR_29:HE2 H h arE2 0 0 0.1000 0 0 8 1.0000 0.0000 CE2
+TYR_29:CZ C cp phol 0 0 0.0300 0 1 8 1.0000 19.9900 OH CE2/1.5 CE1/1.5
+TYR_29:OH O oh phol 0 0 -0.3800 1 0 8 1.0000 28.9800 CZ HH
+TYR_29:HH H ho phol 0 0 0.3500 0 0 8 1.0000 0.0000 OH
+THR_30:N N n pepN 0 0 -0.5000 1 1 8 1.0000 5.3100 CA TYR_29:C/1.5 HN
+THR_30:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+THR_30:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 5.7000 C CB N HA
+THR_30:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+THR_30:C C c' pepC 0 0 0.3800 1 1 8 1.0000 6.2800 O/2.0 CA GLY_31:N/1.5
+THR_30:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 8.7700 C/2.0
+THR_30:CB C c1 cBoh 0 0 -0.0700 0 0 8 1.0000 6.5500 CG2 OG1 CA HB
+THR_30:HB H h cBoh 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+THR_30:OG1 O oh cBoh 0 0 -0.3800 1 0 8 1.0000 6.5700 CB HG1
+THR_30:HG1 H ho cBoh 0 0 0.3500 0 0 8 1.0000 0.0000 OG1
+THR_30:CG2 C c3 meG 0 0 -0.3000 1 0 8 1.0000 7.2900 CB HG21 HG22 HG23
+THR_30:HG21 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_30:HG22 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_30:HG23 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+GLY_31:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.9900 CA THR_30:C/1.5 HN
+GLY_31:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+GLY_31:CA C cg pepN 0 0 0.0200 0 0 8 1.0000 5.5000 C N HA1 HA2
+GLY_31:HA1 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+GLY_31:HA2 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+GLY_31:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.1900 O/2.0 CA CYS_32:N/1.5
+GLY_31:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 6.1200 C/2.0
+CYS_32:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.3000 CA GLY_31:C/1.5 HN
+CYS_32:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+CYS_32:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 4.8900 C CB N HA
+CYS_32:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+CYS_32:C C c' pepC 0 0 0.3800 1 1 8 1.0000 5.5000 O/2.0 CA ILE_33:N/1.5
+CYS_32:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 5.8200 C/2.0
+CYS_32:CB C c2 cs 0 0 -0.3000 1 0 8 1.0000 4.6600 SG CA HB1 HB2
+CYS_32:HB1 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_32:HB2 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_32:SG S s1 cs 0 0 0.1000 0 0 8 1.0000 5.3300 CB CYS_4:SG
+ILE_33:N N n pepN 0 0 -0.5000 1 1 8 1.0000 6.0200 CA CYS_32:C/1.5 HN
+ILE_33:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ILE_33:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 5.2400 C CB N HA
+ILE_33:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ILE_33:C C c' pepC 0 0 0.3800 1 1 8 1.0000 5.1600 O/2.0 CA ILE_34:N/1.5
+ILE_33:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 7.1900 C/2.0
+ILE_33:CB C c1 meB 0 0 -0.1000 1 0 8 1.0000 5.4900 CG2 CG1 CA HB
+ILE_33:HB H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ILE_33:CG1 C c2 meG1 0 0 -0.2000 1 0 8 1.0000 6.8500 CD1 CB HG11 HG12
+ILE_33:HG11 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+ILE_33:HG12 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+ILE_33:CG2 C c3 meG2 0 0 -0.3000 1 0 8 1.0000 6.4500 CB HG21 HG22 HG23
+ILE_33:HG21 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_33:HG22 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_33:HG23 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_33:CD1 C c3 meD1 0 0 -0.3000 1 0 8 1.0000 8.9400 CG1 HD11 HD12 HD13
+ILE_33:HD11 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_33:HD12 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_33:HD13 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_34:N N n pepN 0 0 -0.5000 1 1 8 1.0000 5.5200 CA ILE_33:C/1.5 HN
+ILE_34:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ILE_34:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 6.8200 C CB N HA
+ILE_34:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ILE_34:C C c' pepC 0 0 0.3800 1 1 8 1.0000 6.9200 O/2.0 CA ILE_35:N/1.5
+ILE_34:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 9.2200 C/2.0
+ILE_34:CB C c1 meB 0 0 -0.1000 1 0 8 1.0000 8.1100 CG2 CG1 CA HB
+ILE_34:HB H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ILE_34:CG1 C c2 meG1 0 0 -0.2000 1 0 8 1.0000 9.5900 CD1 CB HG11 HG12
+ILE_34:HG11 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+ILE_34:HG12 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+ILE_34:CG2 C c3 meG2 0 0 -0.3000 1 0 8 1.0000 9.7300 CB HG21 HG22 HG23
+ILE_34:HG21 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_34:HG22 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_34:HG23 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_34:CD1 C c3 meD1 0 0 -0.3000 1 0 8 1.0000 13.4100 CG1 HD11 HD12 HD13
+ILE_34:HD11 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_34:HD12 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_34:HD13 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_35:N N n pepN 0 0 -0.5000 1 1 8 1.0000 7.0600 CA ILE_34:C/1.5 HN
+ILE_35:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ILE_35:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 7.5200 C CB N HA
+ILE_35:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ILE_35:C C c' pepC 0 0 0.3800 1 1 8 1.0000 6.6300 O/2.0 CA PRO_36:N/1.5
+ILE_35:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 7.9000 C/2.0
+ILE_35:CB C c1 meB 0 0 -0.1000 1 0 8 1.0000 8.0700 CG2 CG1 CA HB
+ILE_35:HB H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ILE_35:CG1 C c2 meG1 0 0 -0.2000 1 0 8 1.0000 9.4100 CD1 CB HG11 HG12
+ILE_35:HG11 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+ILE_35:HG12 H h meG1 0 0 0.1000 0 0 8 1.0000 0.0000 CG1
+ILE_35:CG2 C c3 meG2 0 0 -0.3000 1 0 8 1.0000 9.4600 CB HG21 HG22 HG23
+ILE_35:HG21 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_35:HG22 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_35:HG23 H h meG2 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+ILE_35:CD1 C c3 meD1 0 0 -0.3000 1 0 8 1.0000 9.8500 CG1 HD11 HD12 HD13
+ILE_35:HD11 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_35:HD12 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+ILE_35:HD13 H h meD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+PRO_36:N N n pepN 0 0 -0.4200 1 1 8 1.0000 8.0700 CA CD ILE_35:C/1.5
+PRO_36:CA C ca pepN 0 0 0.0600 0 0 8 1.0000 8.7800 C CB N HA
+PRO_36:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+PRO_36:CD C c2 pepN 0 0 0.0600 0 0 8 1.0000 9.5300 N CG HD1 HD2
+PRO_36:HD1 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CD
+PRO_36:HD2 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CD
+PRO_36:C C c' pepC 0 0 0.3800 1 1 8 1.0000 8.3100 O/2.0 CA GLY_37:N/1.5
+PRO_36:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 9.0900 C/2.0
+PRO_36:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 9.6700 CG CA HB1 HB2
+PRO_36:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PRO_36:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PRO_36:CG C c2 meG 0 0 -0.2000 1 0 8 1.0000 10.1500 CD CB HG1 HG2
+PRO_36:HG1 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+PRO_36:HG2 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+GLY_37:N N n pepN 0 0 -0.5000 1 1 8 1.0000 8.4800 CA PRO_36:C/1.5 HN
+GLY_37:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+GLY_37:CA C cg pepN 0 0 0.0200 0 0 8 1.0000 9.2000 C N HA1 HA2
+GLY_37:HA1 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+GLY_37:HA2 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+GLY_37:C C c' pepC 0 0 0.3800 1 1 8 1.0000 10.4100 O/2.0 CA ALA_38:N/1.5
+GLY_37:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 12.0600 C/2.0
+ALA_38:N N n pepN 0 0 -0.5000 1 1 8 1.0000 9.2400 CA GLY_37:C/1.5 HN
+ALA_38:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ALA_38:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 9.2400 C CB N HA
+ALA_38:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ALA_38:C C c' pepC 0 0 0.3800 1 1 8 1.0000 9.6000 O/2.0 CA THR_39:N/1.5
+ALA_38:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 13.6500 C/2.0
+ALA_38:CB C c3 meB 0 0 -0.3000 1 0 8 1.0000 10.4300 CA HB1 HB2 HB3
+ALA_38:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ALA_38:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ALA_38:HB3 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+THR_39:N N n pepN 0 0 -0.5000 1 1 8 1.0000 8.7000 CA ALA_38:C/1.5 HN
+THR_39:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+THR_39:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 9.4600 C CB N HA
+THR_39:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+THR_39:C C c' pepC 0 0 0.3800 1 1 8 1.0000 8.3200 O/2.0 CA CYS_40:N/1.5
+THR_39:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 9.8900 C/2.0
+THR_39:CB C c1 cBoh 0 0 -0.0700 0 0 8 1.0000 10.7200 CG2 OG1 CA HB
+THR_39:HB H h cBoh 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+THR_39:OG1 O oh cBoh 0 0 -0.3800 1 0 8 1.0000 11.6600 CB HG1
+THR_39:HG1 H ho cBoh 0 0 0.3500 0 0 8 1.0000 0.0000 OG1
+THR_39:CG2 C c3 meG 0 0 -0.3000 1 0 8 1.0000 11.8100 CB HG21 HG22 HG23
+THR_39:HG21 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_39:HG22 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+THR_39:HG23 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG2
+CYS_40:N N n pepN 0 0 -0.5000 1 1 8 1.0000 7.6400 CA THR_39:C/1.5 HN
+CYS_40:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+CYS_40:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 8.0500 C CB N HA
+CYS_40:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+CYS_40:C C c' pepC 0 0 0.3800 1 1 8 1.0000 7.6300 O/2.0 CA PRO_41:N/1.5
+CYS_40:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 9.6400 C/2.0
+CYS_40:CB C c2 cs 0 0 -0.3000 1 0 8 1.0000 7.8000 SG CA HB1 HB2
+CYS_40:HB1 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_40:HB2 H h cs 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+CYS_40:SG S s1 cs 0 0 0.1000 0 0 8 1.0000 7.3000 CB CYS_3:SG
+PRO_41:N N n pepN 0 0 -0.4200 1 1 8 1.0000 8.0000 CA CD CYS_40:C/1.5
+PRO_41:CA C ca pepN 0 0 0.0600 0 0 8 1.0000 8.9600 C CB N HA
+PRO_41:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+PRO_41:CD C c2 pepN 0 0 0.0600 0 0 8 1.0000 10.4900 N CG HD1 HD2
+PRO_41:HD1 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CD
+PRO_41:HD2 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CD
+PRO_41:C C c' pepC 0 0 0.3800 1 1 8 1.0000 9.0600 O/2.0 CA GLY_42:N/1.5
+PRO_41:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 8.8200 C/2.0
+PRO_41:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 10.3900 CG CA HB1 HB2
+PRO_41:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PRO_41:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+PRO_41:CG C c2 meG 0 0 -0.2000 1 0 8 1.0000 10.9900 CD CB HG1 HG2
+PRO_41:HG1 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+PRO_41:HG2 H h meG 0 0 0.1000 0 0 8 1.0000 0.0000 CG
+GLY_42:N N n pepN 0 0 -0.5000 1 1 8 1.0000 7.5500 CA PRO_41:C/1.5 HN
+GLY_42:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+GLY_42:CA C cg pepN 0 0 0.0200 0 0 8 1.0000 8.0000 C N HA1 HA2
+GLY_42:HA1 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+GLY_42:HA2 H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+GLY_42:C C c' pepC 0 0 0.3800 1 1 8 1.0000 7.2200 O/2.0 CA ASP_43:N/1.5
+GLY_42:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 8.4100 C/2.0
+ASP_43:N N n pepN 0 0 -0.5000 1 1 8 1.0000 5.5400 CA GLY_42:C/1.5 HN
+ASP_43:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ASP_43:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 5.8500 C CB N HA
+ASP_43:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ASP_43:C C c' pepC 0 0 0.3800 1 1 8 1.0000 5.8700 O/2.0 CA TYR_44:N/1.5
+ASP_43:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 7.2900 C/2.0
+ASP_43:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 6.7200 CG CA HB1 HB2
+ASP_43:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ASP_43:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ASP_43:CG C c' cooh 0 0 0.3800 1 1 8 1.0000 8.5900 OD1/2.0 OD2 CB
+ASP_43:OD1 O o' cooh 0 0 -0.3500 0 0 8 1.0000 9.5900 CG/2.0
+ASP_43:OD2 O oh cooh 0 0 -0.3800 0 0 8 1.0000 11.4500 CG HD2
+ASP_43:HD2 H ho cooh 0 0 0.3500 0 0 8 1.0000 0.0000 OD2
+TYR_44:N N n pepN 0 0 -0.5000 1 1 8 1.0000 5.2200 CA ASP_43:C/1.5 HN
+TYR_44:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+TYR_44:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 5.5600 C CB N HA
+TYR_44:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+TYR_44:C C c' pepC 0 0 0.3800 1 1 8 1.0000 4.6100 O/2.0 CA ALA_45:N/1.5
+TYR_44:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 6.0400 C/2.0
+TYR_44:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 5.4100 CG CA HB1 HB2
+TYR_44:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+TYR_44:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+TYR_44:CG C cp arG 0 0 0.0000 1 1 8 1.0000 5.3400 CD1/1.5 CD2/1.5 CB
+TYR_44:CD1 C cp arD1 0 0 -0.1000 1 1 8 1.0000 6.5900 CE1/1.5 CG/1.5 HD1
+TYR_44:HD1 H h arD1 0 0 0.1000 0 0 8 1.0000 0.0000 CD1
+TYR_44:CD2 C cp arD2 0 0 -0.1000 1 1 8 1.0000 5.9400 CG/1.5 CE2/1.5 HD2
+TYR_44:HD2 H h arD2 0 0 0.1000 0 0 8 1.0000 0.0000 CD2
+TYR_44:CE1 C cp arE1 0 0 -0.1000 1 1 8 1.0000 5.9700 CZ/1.5 CD1/1.5 HE1
+TYR_44:HE1 H h arE1 0 0 0.1000 0 0 8 1.0000 0.0000 CE1
+TYR_44:CE2 C cp arE2 0 0 -0.1000 1 1 8 1.0000 5.1700 CD2/1.5 CZ/1.5 HE2
+TYR_44:HE2 H h arE2 0 0 0.1000 0 0 8 1.0000 0.0000 CE2
+TYR_44:CZ C cp phol 0 0 0.0300 0 1 8 1.0000 5.9600 OH CE2/1.5 CE1/1.5
+TYR_44:OH O oh phol 0 0 -0.3800 1 0 8 1.0000 8.6000 CZ HH
+TYR_44:HH H ho phol 0 0 0.3500 0 0 8 1.0000 0.0000 OH
+ALA_45:N N n pepN 0 0 -0.5000 1 1 8 1.0000 4.7600 CA TYR_44:C/1.5 HN
+ALA_45:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ALA_45:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 5.8900 C CB N HA
+ALA_45:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ALA_45:C C c' pepC 0 0 0.3800 1 1 8 1.0000 6.6700 O/2.0 CA ASNC_46:N/1.5
+ALA_45:O O o' pepC 0 0 -0.3800 0 0 8 1.0000 7.5600 C/2.0
+ALA_45:CB C c3 meB 0 0 -0.3000 1 0 8 1.0000 6.8200 CA HB1 HB2 HB3
+ALA_45:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ALA_45:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ALA_45:HB3 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ASNC_46:N N n pepN 0 0 -0.5000 1 1 8 1.0000 5.8000 CA ALA_45:C/1.5 HN
+ASNC_46:HN H hn pepN 0 0 0.2800 0 0 8 1.0000 0.0000 N
+ASNC_46:CA C ca pepN 0 0 0.1200 0 0 8 1.0000 6.1500 C CB N HA
+ASNC_46:HA H h pepN 0 0 0.1000 0 0 8 1.0000 0.0000 CA
+ASNC_46:C C c- pep- 0 0 0.1400 1 1 8 1.0000 6.6100 O/1.5 OXT/1.5 CA
+ASNC_46:O O o- pep- 0 0 -0.5700 0 0 8 1.0000 7.1800 C/1.5
+ASNC_46:OXT O o- pep- 0 0 -0.5700 0 0 8 1.0000 7.8600 C/1.5
+ASNC_46:CB C c2 meB 0 0 -0.2000 1 0 8 1.0000 7.2700 CG CA HB1 HB2
+ASNC_46:HB1 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ASNC_46:HB2 H h meB 0 0 0.1000 0 0 8 1.0000 0.0000 CB
+ASNC_46:CG C c' coG 0 0 0.3800 1 1 8 1.0000 7.9800 OD1/2.0 ND2/1.5 CB
+ASNC_46:OD1 O o' coG 0 0 -0.3800 0 0 8 1.0000 11.0000 CG/2.0
+ASNC_46:ND2 N n2 amD 0 0 -0.5600 1 1 8 1.0000 10.3200 CG/1.5 HD21 HD22
+ASNC_46:HD21 H hn amD 0 0 0.2800 0 0 8 1.0000 0.0000 ND2
+ASNC_46:HD22 H hn amD 0 0 0.2800 0 0 8 1.0000 0.0000 ND2
+
+
+#atomset
+
+
+@quartet torsion *:*_*:chi1
+N CA CB OG1
+
+@quartet torsion *:*_*:chi2
+CA CB OG1 HG1
+
+@quartet torsion *:*_*:ch2'
+CA CB CG2 HG21
+
+@quartet torsion *:*_*:psi
+N CA C *:N
+
+@quartet torsion *:*_*:omeg
+CA C *:N *:CA
+
+@quartet torsion *:*_*:phi
+*:C N CA C
+
+@quartet torsion *:CYS_*:chi1
+N CA CB SG
+
+@quartet torsion *:*_*:chi1
+N CA CB CG
+
+@quartet torsion *:SER_*:chi1
+N CA CB OG
+
+@quartet torsion *:SER_*:chi2
+CA CB OG HG
+
+@quartet torsion *:*_*:chi1
+N CA CB CG1
+
+@quartet torsion *:ILE_*:chi2
+CA CB CG1 CD1
+
+@quartet torsion *:ILE_*:chi3
+CB CG1 CD1 HD11
+
+@quartet torsion *:VAL_*:chi2
+CA CB CG1 HG11
+
+@quartet torsion *:ALA_*:chi1
+N CA CB HB1
+
+@quartet torsion *:*_*:chi2
+CA CB CG CD
+
+@quartet torsion *:ARG_*:chi3
+CB CG CD NE
+
+@quartet torsion *:ARG_*:chi4
+CG CD NE CZ
+
+@quartet torsion *:ARG_*:chi5
+CD NE CZ NH1
+
+@quartet torsion *:*_*:chi2
+CA CB CG ND2
+
+@quartet torsion *:*_*:chi3
+CB CG ND2 HD21
+
+@quartet torsion *:*_*:chi2
+CA CB CG CD1
+
+@quartet torsion *:LEU_18:chi3
+CB CG CD1 HD11
+
+@quartet torsion *:LEU_18:ch2'
+CA CB CG CD2
+
+@quartet torsion *:LEU_18:ch3'
+CB CG CD2 HD21
+
+@quartet torsion *:GLU_23:chi3
+CB CG CD OE2
+
+@quartet torsion *:GLU_23:chi4
+CG CD OE2 HE2
+
+@quartet torsion *:TYR_*:chi3
+CE1 CZ OH HH
+
+@quartet torsion *:ASP_43:chi2
+CA CB CG OD2
+
+@quartet torsion *:ASP_43:chi3
+CB CG OD2 HD2
+
+
+@list subset CRN$TURNT1
+CRAMBIN:PRO_41:N CA HA CD HD1 HD2 C O CB HB1 HB2 CG HG1 HG2
+GLY_42:N HN CA HA1 HA2 C O
+ASP_43:N HN CA HA C O CB HB1 HB2 CG OD1 OD2 HD2
+TYR_44:N HN CA HA C O CB HB1 HB2 CG CD1 HD1 CD2 HD2 CE1 HE1 CE2 HE2 CZ OH HH
+
+@list subset CRN$TURN
+CRAMBIN:PRO_41:N CA HA CD HD1 HD2 C O CB HB1 HB2 CG HG1 HG2
+GLY_42:N HN CA HA1 HA2 C O
+ASP_43:N HN CA HA C O CB HB1 HB2 CG OD1 OD2 HD2
+TYR_44:N HN CA HA C O CB HB1 HB2 CG CD1 HD1 CD2 HD2 CE1 HE1 CE2 HE2 CZ OH HH
+
+@list subset CRN$SHEETS1
+CRAMBIN:THRN_1:N HN3 HN1 HN2 CA HA C O CB HB OG1 HG1 CG2 HG21 HG22 HG23
+THR_2:N HN CA HA C O CB HB OG1 HG1 CG2 HG21 HG22 HG23
+CYS_3:N HN CA HA C O CB HB1 HB2 SG
+CYS_4:N HN CA HA C O CB HB1 HB2 SG
+CYS_32:N HN CA HA C O CB HB1 HB2 SG
+ILE_33:N HN CA HA C O CB HB CG1 HG11 HG12 CG2 HG21 HG22 HG23 CD1 HD11 HD12 HD13
+ILE_34:N HN CA HA C O CB HB CG1 HG11 HG12 CG2 HG21 HG22 HG23 CD1 HD11 HD12 HD13
+ILE_35:N HN CA HA C O CB HB CG1 HG11 HG12 CG2 HG21 HG22 HG23 CD1 HD11 HD12 HD13
+
+@list subset CRN$SHEET
+CRAMBIN:THRN_1:N HN3 HN1 HN2 CA HA C O CB HB OG1 HG1 CG2 HG21 HG22 HG23
+THR_2:N HN CA HA C O CB HB OG1 HG1 CG2 HG21 HG22 HG23
+CYS_3:N HN CA HA C O CB HB1 HB2 SG
+CYS_4:N HN CA HA C O CB HB1 HB2 SG
+CYS_32:N HN CA HA C O CB HB1 HB2 SG
+ILE_33:N HN CA HA C O CB HB CG1 HG11 HG12 CG2 HG21 HG22 HG23 CD1 HD11 HD12 HD13
+ILE_34:N HN CA HA C O CB HB CG1 HG11 HG12 CG2 HG21 HG22 HG23 CD1 HD11 HD12 HD13
+ILE_35:N HN CA HA C O CB HB CG1 HG11 HG12 CG2 HG21 HG22 HG23 CD1 HD11 HD12 HD13
+
+@list subset CRN$HELIXH2
+CRAMBIN:GLU_23:N HN CA HA C O CB HB1 HB2 CG HG1 HG2 CD OE1 OE2 HE2
+ALA_24:N HN CA HA C O CB HB1 HB2 HB3
+ILE_25:N HN CA HA C O CB HB CG1 HG11 HG12 CG2 HG21 HG22 HG23 CD1 HD11 HD12 HD13
+CYS_26:N HN CA HA C O CB HB1 HB2 SG
+ALA_27:N HN CA HA C O CB HB1 HB2 HB3
+THR_28:N HN CA HA C O CB HB OG1 HG1 CG2 HG21 HG22 HG23
+TYR_29:N HN CA HA C O CB HB1 HB2 CG CD1 HD1 CD2 HD2 CE1 HE1 CE2 HE2 CZ OH HH
+THR_30:N HN CA HA C O CB HB OG1 HG1 CG2 HG21 HG22 HG23
+
+@list subset CRN$HELIXH1
+CRAMBIN:ILE_7:N HN CA HA C O CB HB CG1 HG11 HG12 CG2 HG21 HG22 HG23 CD1 HD11 HD12 HD13
+VAL_8:N HN CA HA C O CB HB CG1 HG11 HG12 HG13 CG2 HG21 HG22 HG23
+ALA_9:N HN CA HA C O CB HB1 HB2 HB3
+ARG_10:N HN CA HA C O CB HB1 HB2 CG HG1 HG2 CD HD1 HD2 NE CZ NH1 HH11 HH12 NH2 HH21 HH22
+SER_11:N HN CA HA C O CB HB1 HB2 OG HG
+ASN_12:N HN CA HA C O CB HB1 HB2 CG OD1 ND2 HD21 HD22
+PHE_13:N HN CA HA C O CB HB1 HB2 CG CD1 HD1 CD2 HD2 CE1 HE1 CE2 HE2 CZ HZ
+ASN_14:N HN CA HA C O CB HB1 HB2 CG OD1 ND2 HD21 HD22
+VAL_15:N HN CA HA C O CB HB CG1 HG11 HG12 HG13 CG2 HG21 HG22 HG23
+CYS_16:N HN CA HA C O CB HB1 HB2 SG
+ARG_17:N HN CA HA C O CB HB1 HB2 CG HG1 HG2 CD HD1 HD2 NE CZ NH1 HH11 HH12 NH2 HH21 HH22
+LEU_18:N HN CA HA C O CB HB1 HB2 CG HG CD1 HD11 HD12 HD13 CD2 HD21 HD22 HD23
+PRO_19:N CA HA CD HD1 HD2 C O CB HB1 HB2 CG HG1 HG2
+
+@list subset CRN$HELIX
+CRAMBIN:ILE_7:N HN CA HA C O CB HB CG1 HG11 HG12 CG2 HG21 HG22 HG23 CD1 HD11 HD12 HD13
+VAL_8:N HN CA HA C O CB HB CG1 HG11 HG12 HG13 CG2 HG21 HG22 HG23
+ALA_9:N HN CA HA C O CB HB1 HB2 HB3
+ARG_10:N HN CA HA C O CB HB1 HB2 CG HG1 HG2 CD HD1 HD2 NE CZ NH1 HH11 HH12 NH2 HH21 HH22
+SER_11:N HN CA HA C O CB HB1 HB2 OG HG
+ASN_12:N HN CA HA C O CB HB1 HB2 CG OD1 ND2 HD21 HD22
+PHE_13:N HN CA HA C O CB HB1 HB2 CG CD1 HD1 CD2 HD2 CE1 HE1 CE2 HE2 CZ HZ
+ASN_14:N HN CA HA C O CB HB1 HB2 CG OD1 ND2 HD21 HD22
+VAL_15:N HN CA HA C O CB HB CG1 HG11 HG12 HG13 CG2 HG21 HG22 HG23
+CYS_16:N HN CA HA C O CB HB1 HB2 SG
+ARG_17:N HN CA HA C O CB HB1 HB2 CG HG1 HG2 CD HD1 HD2 NE CZ NH1 HH11 HH12 NH2 HH21 HH22
+LEU_18:N HN CA HA C O CB HB1 HB2 CG HG CD1 HD11 HD12 HD13 CD2 HD21 HD22 HD23
+PRO_19:N CA HA CD HD1 HD2 C O CB HB1 HB2 CG HG1 HG2
+GLU_23:N HN CA HA C O CB HB1 HB2 CG HG1 HG2 CD OE1 OE2 HE2
+ALA_24:N HN CA HA C O CB HB1 HB2 HB3
+ILE_25:N HN CA HA C O CB HB CG1 HG11 HG12 CG2 HG21 HG22 HG23 CD1 HD11 HD12 HD13
+CYS_26:N HN CA HA C O CB HB1 HB2 SG
+ALA_27:N HN CA HA C O CB HB1 HB2 HB3
+THR_28:N HN CA HA C O CB HB OG1 HG1 CG2 HG21 HG22 HG23
+TYR_29:N HN CA HA C O CB HB1 HB2 CG CD1 HD1 CD2 HD2 CE1 HE1 CE2 HE2 CZ OH HH
+THR_30:N HN CA HA C O CB HB OG1 HG1 CG2 HG21 HG22 HG23
+#end
+
diff --git a/tools/msi2lmp/test/nylon.car b/tools/msi2lmp/test/nylon.car
new file mode 100644
index 0000000000..824666b24f
--- /dev/null
+++ b/tools/msi2lmp/test/nylon.car
@@ -0,0 +1,124 @@
+!BIOSYM archive 3
+PBC=OFF
+input file for discover
+!DATE Mon Jul 14 17:01:24 1997
+C 1.493000031 20.593999863 -0.449999988 MOL 1 c2 C 0.220
+C1 2.328000069 19.871000290 0.623000026 MOL 1 c2 C -0.200
+C2 2.887000084 20.902999878 1.621000051 MOL 1 c2 C -0.200
+C3 3.533999920 20.169000626 2.809999943 MOL 1 c2 C -0.200
+C4 4.085000038 21.201000214 3.812999964 MOL 1 c2 C -0.200
+C5 4.731999874 20.466999054 5.001999855 MOL 1 c2 C 0.020
+N 5.270999908 21.479000092 5.985000134 MOL 1 n N -0.500
+C6 6.477000237 21.142000198 6.829999924 MOL 1 c' C 0.380
+O 7.435999870 22.232000351 7.244999886 MOL 1 o' O -0.380
+C7 6.728000164 19.687000275 7.267000198 MOL 1 c2 C -0.200
+C8 7.763999939 19.665000916 8.406999588 MOL 1 c2 C -0.200
+C9 7.464000225 18.486000061 9.350999832 MOL 1 c2 C -0.200
+C10 8.416000366 18.541000366 10.560999870 MOL 1 c2 C -0.200
+C11 8.112999916 17.364999771 11.506999969 MOL 1 c' C 0.380
+O1 6.711999893 16.809000015 11.597000122 MOL 1 o' O -0.380
+HC1 2.111000061 20.704999924 -1.401000023 MOL 1 h H 0.100
+HC2 1.195999980 21.625999451 -0.067000002 MOL 1 h H 0.100
+H11 3.191999912 19.319000244 0.125000000 MOL 1 h H 0.100
+H12 1.669999957 19.124000549 1.179000020 MOL 1 h H 0.100
+H21 3.670000076 21.548999786 1.101999998 MOL 1 h H 0.100
+H22 2.039000034 21.563999176 1.998999953 MOL 1 h H 0.100
+H31 4.388000011 19.513999939 2.434000015 MOL 1 h H 0.100
+H32 2.753999949 19.517999649 3.325999975 MOL 1 h H 0.100
+H41 4.866000175 21.853000641 3.298000097 MOL 1 h H 0.100
+H42 3.232000113 21.857000351 4.190000057 MOL 1 h H 0.100
+H51 5.585000038 19.811000824 4.625999928 MOL 1 h H 0.100
+H52 3.951999903 19.815999985 5.518000126 MOL 1 h H 0.100
+HN 4.782000065 22.469999313 6.085999966 MOL 1 hn H 0.280
+H71 7.124000072 19.086999893 6.382999897 MOL 1 h H 0.100
+H72 5.751999855 19.225000381 7.632999897 MOL 1 h H 0.100
+H81 8.809000015 19.542999268 7.967999935 MOL 1 h H 0.100
+H82 7.709000111 20.642000198 8.989999771 MOL 1 h H 0.100
+H91 7.614999771 17.503000259 8.793999672 MOL 1 h H 0.100
+H92 6.385000229 18.555000305 9.713999748 MOL 1 h H 0.100
+H101 9.494999886 18.468999863 10.199000359 MOL 1 h H 0.100
+H102 8.267000198 19.524000168 11.118000031 MOL 1 h H 0.100
+N1 9.217000008 16.766000748 12.345000267 MOL 1 n N -0.500
+C12 8.902999878 16.179000854 13.701000214 MOL 1 c2 C 0.020
+C13 9.892000198 15.039999962 14.008999825 MOL 1 c2 C -0.200
+C14 9.138999939 13.871000290 14.671999931 MOL 1 c2 C -0.200
+C15 10.074000359 12.652999878 14.779999733 MOL 1 c2 C -0.200
+C16 9.317999840 11.480999947 15.434000015 MOL 1 c2 C -0.200
+C17 10.253000259 10.262000084 15.543000221 MOL 1 c2 C 0.020
+N2 9.512000084 9.114000320 16.184000015 MOL 1 n N -0.500
+C18 10.263999939 8.095999718 17.007999420 MOL 1 c' C 0.380
+O2 11.720000267 8.319999695 17.337999344 MOL 1 o' O -0.380
+C19 9.545000076 6.831999779 17.513000488 MOL 1 c2 C -0.200
+C20 10.385999680 6.170000076 18.621000290 MOL 1 c2 C -0.200
+C21 9.451999664 5.482999802 19.634000778 MOL 1 c2 C -0.200
+C22 10.281999588 4.934999943 20.809999466 MOL 1 c2 C -0.200
+H221 10.808575630 5.755126953 21.298067093 MOL 1 h H 0.100
+H222 11.006152153 4.209916592 20.438573837 MOL 1 h H 0.100
+C23 9.347999573 4.250999928 21.825000763 MOL 1 c' C 0.380
+O3 9.854000092 3.098999977 22.659999847 MOL 1 o' O -0.380
+H1 10.260000229 16.757999420 11.965000153 MOL 1 hn H 0.280
+H121 8.998000145 16.989000320 14.496999741 MOL 1 h H 0.100
+H122 7.839000225 15.769000053 13.699999809 MOL 1 h H 0.100
+H131 10.701999664 15.418999672 14.715999603 MOL 1 h H 0.100
+H132 10.373000145 14.680000305 13.039999962 MOL 1 h H 0.100
+H141 8.796999931 14.180999756 15.713999748 MOL 1 h H 0.100
+H142 8.229999542 13.597000122 14.039999962 MOL 1 h H 0.100
+H151 10.979000092 12.923000336 15.418000221 MOL 1 h H 0.100
+H152 10.421999931 12.345999718 13.739000320 MOL 1 h H 0.100
+H161 8.970999718 11.786999702 16.475999832 MOL 1 h H 0.100
+H162 8.413000107 11.208999634 14.796999931 MOL 1 h H 0.100
+H171 11.159000397 10.532999992 16.180000305 MOL 1 h H 0.100
+H172 10.600999832 9.956000328 14.501000404 MOL 1 h H 0.100
+H2 8.413999557 9.017000198 16.048999786 MOL 1 hn H 0.280
+H191 9.411000252 6.098999977 16.649999619 MOL 1 h H 0.100
+H192 8.522999763 7.116000175 17.930999756 MOL 1 h H 0.100
+H201 11.081000328 5.394000053 18.159000397 MOL 1 h H 0.100
+H202 11.005000114 6.965000153 19.155000687 MOL 1 h H 0.100
+H211 8.904000282 4.623000145 19.124000549 MOL 1 h H 0.100
+H212 8.692000389 6.237999916 20.024999619 MOL 1 h H 0.100
+N3 7.925000191 4.731999874 21.985000610 MOL 1 n N -0.500
+C24 7.053999901 4.160999775 23.077999115 MOL 1 c2 C 0.020
+C25 6.034999847 5.223000050 23.531999588 MOL 1 c2 C -0.200
+C26 5.895999908 5.179999828 25.065000534 MOL 1 c2 C -0.200
+C27 5.052000046 6.377999783 25.538000107 MOL 1 c2 C -0.200
+C28 4.921000004 6.340000153 27.072000504 MOL 1 c2 C -0.200
+C29 4.077000141 7.538000107 27.545999527 MOL 1 c2 C 0.020
+N4 3.948999882 7.500999928 29.049999237 MOL 1 n N -0.500
+C30 2.717999935 8.065999985 29.716999054 MOL 1 c' C 0.380
+O4 1.600000024 8.638999939 28.878000259 MOL 1 o' O -0.380
+C31 2.601000071 8.059000015 31.252000809 MOL 1 c2 C -0.200
+C32 1.139000058 8.319000244 31.658000946 MOL 1 c2 C -0.200
+C33 0.828000009 7.570000172 32.967998505 MOL 1 c2 C -0.200
+C34 -0.667999983 7.721000195 33.304000854 MOL 1 c2 C -0.200
+C35 -0.978999972 6.969999790 34.611000061 MOL 1 c' C 0.450
+O5 -2.085999966 7.455999851 35.515998840 MOL 1 o- O -0.500
+H3 7.519999981 5.506000042 21.299999237 MOL 1 hn H 0.280
+H241 6.498000145 3.246999979 22.683000565 MOL 1 h H 0.100
+H242 7.703999996 3.855999947 23.962999344 MOL 1 h H 0.100
+H251 5.022999763 5.008999825 23.052999496 MOL 1 h H 0.100
+H252 6.395999908 6.256000042 23.211999893 MOL 1 h H 0.100
+H261 5.383999825 4.209000111 25.372999191 MOL 1 h H 0.100
+H262 6.929999828 5.231999874 25.541999817 MOL 1 h H 0.100
+H271 4.014999866 6.322000027 25.068000793 MOL 1 h H 0.100
+H272 5.559999943 7.348999977 25.224000931 MOL 1 h H 0.100
+H281 4.413000107 5.369999886 27.386999130 MOL 1 h H 0.100
+H282 5.958000183 6.395999908 27.544000626 MOL 1 h H 0.100
+H291 3.039999962 7.482999802 27.075000763 MOL 1 h H 0.100
+H292 4.585000038 8.508999825 27.232000351 MOL 1 h H 0.100
+H4 4.760000229 7.059000015 29.665000916 MOL 1 hn H 0.280
+H311 3.266999960 8.875000000 31.687999725 MOL 1 h H 0.100
+H312 2.931999922 7.044000149 31.653999329 MOL 1 h H 0.100
+H321 0.980000019 9.437000275 31.813999176 MOL 1 h H 0.100
+H322 0.442999989 7.947999954 30.834999084 MOL 1 h H 0.100
+H331 1.452999949 8.008000374 33.813999176 MOL 1 h H 0.100
+H332 1.078999996 6.465000153 32.842998505 MOL 1 h H 0.100
+H341 -0.919000030 8.826000214 33.431999207 MOL 1 h H 0.100
+H342 -1.294000030 7.285999775 32.457000732 MOL 1 h H 0.100
+O6 -0.179000005 5.745999813 34.987998962 MOL 1 o- O -0.500
+N5 0.250000000 19.790000916 -0.746999979 MOL 1 n4 N -0.500
+HN51 0.118000001 19.704999924 -1.845999956 MOL 1 hn H 0.360
+HN52 -0.634000003 20.298000336 -0.307000011 MOL 1 hn H 0.360
+H53 0.349999994 18.775999069 -0.307000011 MOL 1 hn H 0.360
+end
+end
+
diff --git a/tools/msi2lmp/test/nylon.mdf b/tools/msi2lmp/test/nylon.mdf
new file mode 100644
index 0000000000..38e189834b
--- /dev/null
+++ b/tools/msi2lmp/test/nylon.mdf
@@ -0,0 +1,142 @@
+!BIOSYM molecular_data 4
+
+!DATE: Mon Jul 14 17:01:24 1997 INSIGHT generated molecular data file
+
+#topology
+
+@column 1 element
+@column 2 atom_type cvff
+@column 3 charge_group cvff
+@column 4 isotope
+@column 5 formal_charge
+@column 6 charge cvff
+@column 7 switching_atom cvff
+@column 8 oop_flag cvff
+@column 9 chirality_flag
+@column 10 occupancy
+@column 11 xray_temp_factor
+@column 12 connections
+
+@molecule NYLON2
+
+MOL_1:C C c2 MOL 0 0 0.2200 0 0 8 1.0000 0.0000 C1 HC1 HC2 N5
+MOL_1:C1 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C C2 H11 H12
+MOL_1:C2 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C1 C3 H21 H22
+MOL_1:C3 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C2 C4 H31 H32
+MOL_1:C4 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C3 C5 H41 H42
+MOL_1:C5 C c2 MOL 0 0 0.0200 0 0 8 1.0000 0.0000 C4 N H51 H52
+MOL_1:N N n MOL 0 0 -0.5000 0 1 8 1.0000 0.0000 C5 C6 HN
+MOL_1:C6 C c' MOL 0 0 0.3800 0 1 8 1.0000 0.0000 N O/2.0 C7
+MOL_1:O O o' MOL 0 0 -0.3800 0 0 8 1.0000 0.0000 C6/2.0
+MOL_1:C7 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C6 C8 H71 H72
+MOL_1:C8 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C7 C9 H81 H82
+MOL_1:C9 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C8 C10 H91 H92
+MOL_1:C10 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C9 C11 H101 H102
+MOL_1:C11 C c' MOL 0 0 0.3800 0 1 8 1.0000 0.0000 C10 O1/2.0 N1/1.5
+MOL_1:O1 O o' MOL 0 0 -0.3800 0 0 8 1.0000 0.0000 C11/2.0
+MOL_1:HC1 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C
+MOL_1:HC2 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C
+MOL_1:H11 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C1
+MOL_1:H12 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C1
+MOL_1:H21 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C2
+MOL_1:H22 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C2
+MOL_1:H31 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C3
+MOL_1:H32 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C3
+MOL_1:H41 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C4
+MOL_1:H42 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C4
+MOL_1:H51 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C5
+MOL_1:H52 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C5
+MOL_1:HN H hn MOL 0 0 0.2800 0 0 8 1.0000 0.0000 N
+MOL_1:H71 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C7
+MOL_1:H72 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C7
+MOL_1:H81 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C8
+MOL_1:H82 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C8
+MOL_1:H91 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C9
+MOL_1:H92 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C9
+MOL_1:H101 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C10
+MOL_1:H102 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C10
+MOL_1:N1 N n MOL 0 0 -0.5000 0 1 8 1.0000 0.0000 C11/1.5 C12 H1
+MOL_1:C12 C c2 MOL 0 0 0.0200 0 0 8 1.0000 0.0000 N1 C13 H121 H122
+MOL_1:C13 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C12 C14 H131 H132
+MOL_1:C14 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C13 C15 H141 H142
+MOL_1:C15 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C14 C16 H151 H152
+MOL_1:C16 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C15 C17 H161 H162
+MOL_1:C17 C c2 MOL 0 0 0.0200 0 0 8 1.0000 0.0000 C16 N2 H171 H172
+MOL_1:N2 N n MOL 0 0 -0.5000 0 1 8 1.0000 0.0000 C17 C18 H2
+MOL_1:C18 C c' MOL 0 0 0.3800 0 1 8 1.0000 0.0000 N2 O2/2.0 C19
+MOL_1:O2 O o' MOL 0 0 -0.3800 0 0 8 1.0000 0.0000 C18/2.0
+MOL_1:C19 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C18 C20 H191 H192
+MOL_1:C20 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C19 C21 H201 H202
+MOL_1:C21 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C20 C22 H211 H212
+MOL_1:C22 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C21 C23 H221 H222
+MOL_1:H221 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C22
+MOL_1:H222 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C22
+MOL_1:C23 C c' MOL 0 0 0.3800 0 1 8 1.0000 0.0000 C22 O3/2.0 N3/1.5
+MOL_1:O3 O o' MOL 0 0 -0.3800 0 0 8 1.0000 0.0000 C23/2.0
+MOL_1:H1 H hn MOL 0 0 0.2800 0 0 8 1.0000 0.0000 N1
+MOL_1:H121 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C12
+MOL_1:H122 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C12
+MOL_1:H131 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C13
+MOL_1:H132 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C13
+MOL_1:H141 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C14
+MOL_1:H142 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C14
+MOL_1:H151 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C15
+MOL_1:H152 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C15
+MOL_1:H161 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C16
+MOL_1:H162 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C16
+MOL_1:H171 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C17
+MOL_1:H172 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C17
+MOL_1:H2 H hn MOL 0 0 0.2800 0 0 8 1.0000 0.0000 N2
+MOL_1:H191 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C19
+MOL_1:H192 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C19
+MOL_1:H201 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C20
+MOL_1:H202 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C20
+MOL_1:H211 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C21
+MOL_1:H212 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C21
+MOL_1:N3 N n MOL 0 0 -0.5000 0 1 8 1.0000 0.0000 C23/1.5 C24 H3
+MOL_1:C24 C c2 MOL 0 0 0.0200 0 0 8 1.0000 0.0000 N3 C25 H241 H242
+MOL_1:C25 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C24 C26 H251 H252
+MOL_1:C26 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C25 C27 H261 H262
+MOL_1:C27 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C26 C28 H271 H272
+MOL_1:C28 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C27 C29 H281 H282
+MOL_1:C29 C c2 MOL 0 0 0.0200 0 0 8 1.0000 0.0000 C28 N4 H291 H292
+MOL_1:N4 N n MOL 0 0 -0.5000 0 1 8 1.0000 0.0000 C29 C30 H4
+MOL_1:C30 C c' MOL 0 0 0.3800 0 1 8 1.0000 0.0000 N4 O4/2.0 C31
+MOL_1:O4 O o' MOL 0 0 -0.3800 0 0 8 1.0000 0.0000 C30/2.0
+MOL_1:C31 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C30 C32 H311 H312
+MOL_1:C32 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C31 C33 H321 H322
+MOL_1:C33 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C32 C34 H331 H332
+MOL_1:C34 C c2 MOL 0 0 -0.2000 0 0 8 1.0000 0.0000 C33 C35 H341 H342
+MOL_1:C35 C c' MOL 0 0 0.4500 0 1 8 1.0000 0.0000 C34 O5 O6/2.0
+MOL_1:O5 O o- MOL 0 1- -0.5000 0 0 8 1.0000 0.0000 C35
+MOL_1:H3 H hn MOL 0 0 0.2800 0 0 8 1.0000 0.0000 N3
+MOL_1:H241 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C24
+MOL_1:H242 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C24
+MOL_1:H251 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C25
+MOL_1:H252 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C25
+MOL_1:H261 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C26
+MOL_1:H262 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C26
+MOL_1:H271 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C27
+MOL_1:H272 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C27
+MOL_1:H281 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C28
+MOL_1:H282 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C28
+MOL_1:H291 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C29
+MOL_1:H292 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C29
+MOL_1:H4 H hn MOL 0 0 0.2800 0 0 8 1.0000 0.0000 N4
+MOL_1:H311 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C31
+MOL_1:H312 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C31
+MOL_1:H321 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C32
+MOL_1:H322 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C32
+MOL_1:H331 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C33
+MOL_1:H332 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C33
+MOL_1:H341 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C34
+MOL_1:H342 H h MOL 0 0 0.1000 0 0 8 1.0000 0.0000 C34
+MOL_1:O6 O o- MOL 0 0 -0.5000 0 0 8 1.0000 0.0000 C35/2.0
+MOL_1:N5 N n4 MOL 0 1+ -0.5000 0 0 8 1.0000 0.0000 C HN51 HN52 H53
+MOL_1:HN51 H hn MOL 0 0 0.3600 0 0 8 1.0000 0.0000 N5
+MOL_1:HN52 H hn MOL 0 0 0.3600 0 0 8 1.0000 0.0000 N5
+MOL_1:H53 H hn MOL 0 0 0.3600 0 0 8 1.0000 0.0000 N5
+
+
+#end
+
diff --git a/tools/msi2lmp/test/phen3_cff97.car b/tools/msi2lmp/test/phen3_cff97.car
new file mode 100644
index 0000000000..7e1bce6e03
--- /dev/null
+++ b/tools/msi2lmp/test/phen3_cff97.car
@@ -0,0 +1,29 @@
+!BIOSYM archive 3
+PBC=OFF
+input file for discover
+!DATE Tue Jul 15 15:14:54 1997
+N 0.109592088 -0.199880913 0.000000478 PHEN 1 n+ N -0.0450
+HN1 -0.124733858 -1.202872038 -0.000001981 PHEN 1 h+ H 0.2800
+HN2 -0.285811990 0.244572327 0.840843439 PHEN 1 h+ H 0.2800
+HN3 -0.285812497 0.244576558 -0.840839982 PHEN 1 h+ H 0.2800
+CA 1.560634732 -0.038402185 0.000000465 PHEN 1 c C -0.0780
+HA 1.972637177 -0.500293911 0.916701555 PHEN 1 h H 0.0530
+C 1.942531705 1.422506809 0.000000450 PHEN 1 c- C 0.2974
+OXT 3.187694550 1.672445178 0.000000438 PHEN 1 o- O -0.5337
+O 1.070737839 2.346019268 0.000000449 PHEN 1 o- O -0.5337
+CB 2.174581766 -0.718786478 -1.261021852 PHEN 1 c C -0.1060
+HB1 1.839982390 -0.182426706 -2.172762394 PHEN 1 h H 0.0530
+HB2 3.272250891 -0.569177628 -1.261509657 PHEN 1 h H 0.0530
+CG 1.889680982 -2.218492746 -1.435816169 PHEN 1 cp C 0.0000
+CD1 0.737977445 -2.629161119 -2.116767168 PHEN 1 cp C -0.1305
+HD1 0.061427273 -1.894254208 -2.533302307 PHEN 1 h H 0.1305
+CE1 0.424228579 -3.980331659 -2.214080095 PHEN 1 cp C -0.1305
+HE1 -0.483345032 -4.285143852 -2.715474367 PHEN 1 h H 0.1305
+CZ 1.268485427 -4.931880474 -1.646431088 PHEN 1 cp C -0.1305
+HZ 1.020345688 -5.980008125 -1.718327641 PHEN 1 h H 0.1305
+CE2 2.423752546 -4.531005859 -0.977356374 PHEN 1 cp C -0.1305
+HE2 3.074717045 -5.268786907 -0.531340718 PHEN 1 h H 0.1305
+CD2 2.733307123 -3.177516222 -0.869901538 PHEN 1 cp C -0.1305
+HD2 3.619415522 -2.873045444 -0.331384182 PHEN 1 h H 0.1305
+end
+end
diff --git a/tools/msi2lmp/test/phen3_cff97.mdf b/tools/msi2lmp/test/phen3_cff97.mdf
new file mode 100644
index 0000000000..733a904d41
--- /dev/null
+++ b/tools/msi2lmp/test/phen3_cff97.mdf
@@ -0,0 +1,57 @@
+!BIOSYM molecular_data 4
+
+!DATE: Tue Jul 15 15:14:54 1997 INSIGHT generated molecular data file
+
+#topology
+
+@column 1 element
+@column 2 atom_type cvff
+@column 3 charge_group cvff
+@column 4 isotope
+@column 5 formal_charge
+@column 6 charge cvff
+@column 7 switching_atom cvff
+@column 8 oop_flag cvff
+@column 9 chirality_flag
+@column 10 occupancy
+@column 11 xray_temp_factor
+@column 12 connections
+
+@molecule PHE_CVFF
+
+PHEN_1:N N n+ pepN 0 0 -0.04500 1 0 8 1.0000 0.0000 CA HN1 HN2 HN3
+PHEN_1:HN1 H h+ pepN 0 0 0.28000 0 0 8 1.0000 0.0000 N
+PHEN_1:HN2 H h+ pepN 0 0 0.28000 0 0 8 1.0000 0.0000 N
+PHEN_1:HN3 H h+ pepN 0 0 0.28000 0 0 8 1.0000 0.0000 N
+PHEN_1:CA C c pepN 0 0 -0.07800 0 0 8 1.0000 0.0000 N HA C CB
+PHEN_1:HA H h pepN 0 0 0.05300 0 0 8 1.0000 0.0000 CA
+PHEN_1:C C c- pepC 0 0 0.29740 1 1 8 1.0000 0.0000 CA O/1.5 OXT/1.5
+PHEN_1:OXT O o- pepC 0 0 -0.53370 0 0 8 1.0000 0.0000 C/1.5
+PHEN_1:O O o- pepC 0 0 -0.53370 0 0 8 1.0000 0.0000 C/1.5
+PHEN_1:CB C c meB 0 0 -0.10600 1 0 8 1.0000 0.0000 CA HB1 HB2 CG
+PHEN_1:HB1 H h meB 0 0 0.05300 0 0 8 1.0000 0.0000 CB
+PHEN_1:HB2 H h meB 0 0 0.05300 0 0 8 1.0000 0.0000 CB
+PHEN_1:CG C cp arG 0 0 0.00000 1 1 8 1.0000 0.0000 CB CD1/1.5 CD2/1.5
+PHEN_1:CD1 C cp arD1 0 0 -0.13053 1 1 8 1.0000 0.0000 CG/1.5 HD1 CE1/1.5
+PHEN_1:HD1 H h arD1 0 0 0.13053 0 0 8 1.0000 0.0000 CD1
+PHEN_1:CE1 C cp arE1 0 0 -0.13053 1 1 8 1.0000 0.0000 CD1/1.5 HE1 CZ/1.5
+PHEN_1:HE1 H h arE1 0 0 0.13053 0 0 8 1.0000 0.0000 CE1
+PHEN_1:CZ C cp arZ 0 0 -0.13053 1 1 8 1.0000 0.0000 CE1/1.5 HZ CE2/1.5
+PHEN_1:HZ H h arZ 0 0 0.13053 0 0 8 1.0000 0.0000 CZ
+PHEN_1:CE2 C cp arE2 0 0 -0.13053 1 1 8 1.0000 0.0000 CZ/1.5 HE2 CD2/1.5
+PHEN_1:HE2 H h arE2 0 0 0.13053 0 0 8 1.0000 0.0000 CE2
+PHEN_1:CD2 C cp arD2 0 0 -0.13053 1 1 8 1.0000 0.0000 CE2/1.5 HD2 CG/1.5
+PHEN_1:HD2 H h arD2 0 0 0.13053 0 0 8 1.0000 0.0000 CD2
+
+
+#atomset
+
+
+@quartet torsion *:PHEN_1:chi1
+N CA CB CG
+
+@quartet torsion *:PHEN_1:chi2
+CA CB CG CD1
+
+#end
+
diff --git a/tools/msi2lmp/test/test.input b/tools/msi2lmp/test/test.input
new file mode 100644
index 0000000000..a87c4bed57
--- /dev/null
+++ b/tools/msi2lmp/test/test.input
@@ -0,0 +1,27 @@
+units real
+atom_style full
+
+pair_style lj/cut/coul/cut 10.0 8.0
+bond_style harmonic
+angle_style harmonic
+dihedral_style harmonic
+improper_style harmonic
+
+read_data crambin.lammps05
+
+neighbor 2.0 bin
+neigh_modify delay 5
+
+timestep 2.0
+
+thermo_style multi
+thermo 50
+
+fix 1 all nvt 275.0 275.0 100.0
+
+# fix 2 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
+# group peptide type <= 12
+# dump 1 peptide atom 10 dump.peptide
+
+run 10000
+
diff --git a/tools/replicate.c b/tools/replicate.c
new file mode 100644
index 0000000000..ec7f89a9e6
--- /dev/null
+++ b/tools/replicate.c
@@ -0,0 +1,861 @@
+/* replicate tool
+
+ read LAMMPS data file as input
+ create new LAMMPS data file as output
+
+ new file can be translated, dilated, mapped to periodic box
+ and/or replicated to create a larger system
+ create new molecule tags as needed
+
+ Syntax: replicate [options] < infile > outfile
+
+ Options:
+
+ -style atom_style
+
+ use the LAMMPS atom style that corresponds to this file
+ e.g. atomic or bond or angle or full or granular
+ will be used for reading and writing files
+ this option must be specified
+ for atom_style = hybrid, append subsequent styles
+ e.g. -style hybrid bond charge
+
+ -repeat nx ny nz
+
+ use the input data as a unit cell and replicate the unit
+ cell by (nx,ny,nz) in the +x, +y, +z directions
+ this creates new atoms, bonds, angles, etc
+ if not specified, nx = ny = nz = 1
+
+ -inbox xlo xhi ylo yhi zlo zhi
+
+ use these values for the bounding box of the input system
+ and for the unit cell used for replicating purposes
+ if not specified use the box bounds read in from infile
+
+ -outbox xlo xhi ylo yhi zlo zhi
+
+ use these values for the bounding box of the output system
+ if not specified the output bounding box is computed from the input
+ bounding box by holding the "lo" values constant and creating
+ new "hi" values by multiplying by the replicating factors
+
+ -unmap
+
+ unmap all input atom positions using input image flags
+ and inbox in a periodic sense
+ this enables molecular bonds to be replicated
+
+ -map
+
+ map all final atom positions into the output bounding box
+ in a periodic sense
+ works no matter how far away from the box the atoms are
+ this operation is independent of unmap option
+
+ -imageout
+
+ image flags will be written to outfile, else they won't be
+ if unmapping/mapping is done, image flags are modified accordingly
+
+ Notes:
+
+ works with "Velocities" entry by giving same velocity to
+ all replicated images of an atom, which is probably not ideal
+
+ can perform system dilation/contraction by using "-repeat 1 1 1"
+ and specifying a slightly larger/smaller output box than input
+ box.
+
+ can add/delete image flags by using -imageout
+*/
+
+#include <string.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include <math.h>
+
+struct box {
+ double xlo,xhi,xsize;
+ double ylo,yhi,ysize;
+ double zlo,zhi,zsize;
+};
+
+#define MAXLINE 1000
+
+main(int argc, char *argv[])
+
+{
+ char line[MAXLINE]; /* strings for reading/parsing input file */
+ char linetoken[MAXLINE];
+ char *token,*ptr;
+ /* numbers of various quantities as read in */
+
+ int natoms,nbonds,nangles,ndihedrals,nimpropers;
+ int ntypes,nbondtypes,nangletypes,ndihedtypes,nimprotypes;
+
+ int nmolecules; /* total # of mols specified by mol tags */
+
+ /* vectors of various quantities as read in */
+
+ int *tag,*molecule,*type;
+ double *q,*radius,*density,*x,*y,*z,*mux,*muy,*muz;
+ int *imagex,*imagey,*imagez;
+ int *vtag;
+ double *vx,*vy,*vz,*vphix,*vphiy,*vphiz;
+ int *btype,*atype,*dtype,*itype;
+ int *bond1,*bond2,*angle1,*angle2,*angle3;
+ int *dihed1,*dihed2,*dihed3,*dihed4,*impro1,*impro2,*impro3,*impro4;
+
+ int atomstyle; /* atom styles and settings */
+ int style_angle,style_atomic,style_bond,style_charge,style_dipole;
+ int style_dpd,style_full,style_granular,style_molecular;
+ int charge,molecular,dipole;
+
+ int nx,ny,nz; /* replication factors */
+ int inbox,outbox; /* flags for whether in/out boxes were explicitly
+ specified */
+ int unmap; /* 0 = no unmapping, 1 = unmap from input box */
+ int map; /* 0 = no mapping, 1 = map to output box */
+ int imageout; /* 0/1 = no/yes output of image flags */
+ int imageflag; /* 0/1 = no/yes if image flags exist in input */
+
+ struct box in,out; /* input and output bounding boxes */
+ int ntotal; /* total replication factor = nx*ny*nz */
+ double newx,newy,newz; /* replicated atom position */
+ int size_atom_valid; /* values that should be on atom line */
+ int size_atom_actual; /* values that are on atom line */
+
+ int i,j,k,m,n,tmp,del,tag_offset,mol_offset; /* temp variables */
+ char **values;
+
+ char *gettoken(char *, int); /* function defs */
+ int count_words(char *);
+ void copyline(int);
+ void scale(struct box, int, int, int,
+ struct box, double *, double *, double *);
+ void pbc(struct box, double *, double *, double *, int *, int *, int *);
+
+ /* default input values */
+
+ atomstyle = 0;
+ style_angle = style_atomic = style_bond = style_charge = style_dipole =
+ style_dpd = style_full = style_granular = style_molecular = 0;
+ nx = ny = nz = 1;
+ inbox = outbox = 0;
+ unmap = 0;
+ map = 0;
+ imageout = 0;
+
+ /* read input options from command line
+ should do more error checking for missing args */
+
+ i = 1;
+ while (i < argc) {
+
+ if (!strcmp(argv[i],"-style")) {
+ atomstyle = 1;
+ if (strcmp(argv[i+1],"angle") == 0) style_angle = 1;
+ else if (strcmp(argv[i+1],"atomic") == 0) style_atomic = 1;
+ else if (strcmp(argv[i+1],"bond") == 0) style_bond = 1;
+ else if (strcmp(argv[i+1],"charge") == 0) style_charge = 1;
+ else if (strcmp(argv[i+1],"dipole") == 0) style_dipole = 1;
+ else if (strcmp(argv[i+1],"dpd") == 0) style_dpd = 1;
+ else if (strcmp(argv[i+1],"full") == 0) style_full = 1;
+ else if (strcmp(argv[i+1],"granular") == 0) style_granular = 1;
+ else if (strcmp(argv[i+1],"molecular") == 0) style_molecular = 1;
+ else if (strcmp(argv[i+1],"hybrid") == 0) {
+ n = i + 2;
+ while (n < argc && argv[n][0] != '-') {
+ if (strcmp(argv[n],"angle") == 0) style_angle = 1;
+ else if (strcmp(argv[n],"atomic") == 0) style_atomic = 1;
+ else if (strcmp(argv[n],"bond") == 0) style_bond = 1;
+ else if (strcmp(argv[n],"charge") == 0) style_charge = 1;
+ else if (strcmp(argv[n],"dipole") == 0) style_dipole = 1;
+ else if (strcmp(argv[n],"dpd") == 0) style_dpd = 1;
+ else if (strcmp(argv[n],"full") == 0) style_full = 1;
+ else if (strcmp(argv[n],"granular") == 0) style_granular = 1;
+ else if (strcmp(argv[n],"molecular") == 0) style_molecular = 1;
+ else {
+ fprintf(stderr,"Error with command-line arg style\n");
+ exit(1);
+ }
+ n++;
+ }
+ if (i == n - 2) {
+ fprintf(stderr,"Error with command-line arg style\n");
+ exit(1);
+ }
+ i = n - 2;
+ } else {
+ fprintf(stderr,"Error with command-line arg style\n");
+ exit(1);
+ }
+ i += 2;
+ } else if (!strcmp(argv[i],"-repeat")) {
+ sscanf(argv[i+1],"%d",&nx);
+ sscanf(argv[i+2],"%d",&ny);
+ sscanf(argv[i+3],"%d",&nz);
+ i += 4;
+ } else if (!strcmp(argv[i],"-inbox")) {
+ inbox = 1;
+ sscanf(argv[i+1],"%lg",&in.xlo);
+ sscanf(argv[i+2],"%lg",&in.xhi);
+ sscanf(argv[i+3],"%lg",&in.ylo);
+ sscanf(argv[i+4],"%lg",&in.yhi);
+ sscanf(argv[i+5],"%lg",&in.zlo);
+ sscanf(argv[i+6],"%lg",&in.zhi);
+ i += 7;
+ } else if (!strcmp(argv[i],"-outbox")) {
+ outbox = 1;
+ sscanf(argv[i+1],"%lg",&out.xlo);
+ sscanf(argv[i+2],"%lg",&out.xhi);
+ sscanf(argv[i+3],"%lg",&out.ylo);
+ sscanf(argv[i+4],"%lg",&out.yhi);
+ sscanf(argv[i+5],"%lg",&out.zlo);
+ sscanf(argv[i+6],"%lg",&out.zhi);
+ i += 7;
+ } else if (!strcmp(argv[i],"-unmap")) {
+ unmap = 1;
+ i += 1;
+ } else if (!strcmp(argv[i],"-map")) {
+ map = 1;
+ i += 1;
+ } else if (!strcmp(argv[i],"-imageout")) {
+ imageout = 1;
+ i += 1;
+ } else {
+ fprintf(stderr,"Syntax error: replicate [options] < infile > outfile\n");
+ exit(1);
+ }
+ }
+
+ /* set low-level info from style flags */
+
+ charge = 0;
+ if (style_charge || style_full || style_dipole) charge = 1;
+
+ molecular = 0;
+ if (style_angle || style_bond || style_full || style_molecular)
+ molecular = 1;
+
+ dipole = 0;
+ if (style_dipole) dipole = 1;
+
+ size_atom_valid = 5;
+ if (charge) size_atom_valid += 1;
+ if (style_dipole) size_atom_valid += 3;
+ if (style_granular) size_atom_valid += 2;
+ if (molecular) size_atom_valid += 1;
+
+ /* error checks */
+
+ if (atomstyle == 0) {
+ fprintf(stderr,"ERROR: must use -style to set atom style\n");
+ exit(1);
+ }
+
+ /* ntotal = total replication factor */
+
+ ntotal = nx*ny*nz;
+
+ /* defaults */
+
+ natoms = nbonds = nangles = ndihedrals = nimpropers = 0;
+ ntypes = nbondtypes = nangletypes = ndihedtypes = nimprotypes = 0;
+
+ /* read/write header */
+
+ copyline(1); // echo 1st line
+
+ while (1) {
+
+ fgets(line,MAXLINE,stdin);
+
+ // trim anything from '#' onward
+ // if line is blank, continue
+
+ if (ptr = strchr(line,'#')) *ptr = '\0';
+ if (strspn(line," \t\n\r") == strlen(line)) {
+ printf("\n");
+ continue;
+ }
+
+ if (strstr(line,"atoms")) {
+ sscanf(line,"%d",&natoms);
+ printf("%d atoms\n",natoms*ntotal);
+ } else if (strstr(line,"bonds")) {
+ sscanf(line,"%d",&nbonds);
+ printf("%d bonds\n",nbonds*ntotal);
+ } else if (strstr(line,"angles")) {
+ sscanf(line,"%d",&nangles);
+ printf("%d angles\n",nangles*ntotal);
+ } else if (strstr(line,"dihedrals")) {
+ sscanf(line,"%d",&ndihedrals);
+ printf("%d dihedrals\n",ndihedrals*ntotal);
+ } else if (strstr(line,"impropers")) {
+ sscanf(line,"%d",&nimpropers);
+ printf("%d impropers\n",nimpropers*ntotal);
+ } else if (strstr(line,"atom types")) {
+ sscanf(line,"%d",&ntypes);
+ printf("%d atom types\n",ntypes);
+ } else if (strstr(line,"bond types")) {
+ sscanf(line,"%d",&nbondtypes);
+ printf("%d bond types\n",nbondtypes);
+ } else if (strstr(line,"angle types")) {
+ sscanf(line,"%d",&nangletypes);
+ printf("%d angle types\n",nangletypes);
+ } else if (strstr(line,"dihedral types")) {
+ sscanf(line,"%d",&ndihedtypes);
+ printf("%d dihedral types\n",ndihedtypes);
+ } else if (strstr(line,"improper types")) {
+ sscanf(line,"%d",&nimprotypes);
+ printf("%d improper types\n",nimprotypes);
+ } else if (strstr(line,"xlo xhi")) {
+ if (!inbox) sscanf(line,"%lg %lg",&in.xlo,&in.xhi);
+ in.xsize = in.xhi - in.xlo;
+ if (!outbox) {
+ out.xlo = in.xlo;
+ if (nx > 1) out.xhi = out.xlo + (in.xhi-in.xlo)*nx;
+ else out.xhi = in.xhi;
+ }
+ out.xsize = out.xhi - out.xlo;
+ printf("%g %g xlo xhi\n",out.xlo,out.xhi);
+ } else if (strstr(line,"ylo yhi")) {
+ if (!inbox) sscanf(line,"%lg %lg",&in.ylo,&in.yhi);
+ in.ysize = in.yhi - in.ylo;
+ if (!outbox) {
+ out.ylo = in.ylo;
+ if (ny > 1) out.yhi = out.ylo + (in.yhi-in.ylo)*ny;
+ else out.yhi = in.yhi;
+ }
+ out.ysize = out.yhi - out.ylo;
+ printf("%g %g ylo yhi\n",out.ylo,out.yhi);
+ } else if (strstr(line,"zlo zhi")) {
+ if (!inbox) sscanf(line,"%lg %lg",&in.zlo,&in.zhi);
+ in.zsize = in.zhi - in.zlo;
+ if (!outbox) {
+ out.zlo = in.zlo;
+ if (nz > 1) out.zhi = out.zlo + (in.zhi-in.zlo)*nz;
+ else out.zhi = in.zhi;
+ }
+ out.zsize = out.zhi - out.zlo;
+ printf("%g %g zlo zhi\n",out.zlo,out.zhi);
+ } else break;
+ }
+
+ /* malloc space for input atoms and topology */
+
+ tag = (int *) malloc(natoms*sizeof(int));
+ type = (int *) malloc(natoms*sizeof(int));
+ x = (double *) malloc(natoms*sizeof(double));
+ y = (double *) malloc(natoms*sizeof(double));
+ z = (double *) malloc(natoms*sizeof(double));
+ imagex = (int *) malloc(natoms*sizeof(int));
+ imagey = (int *) malloc(natoms*sizeof(int));
+ imagez = (int *) malloc(natoms*sizeof(int));
+
+ vtag = (int *) malloc(natoms*sizeof(int));
+ vx = (double *) malloc(natoms*sizeof(double));
+ vy = (double *) malloc(natoms*sizeof(double));
+ vz = (double *) malloc(natoms*sizeof(double));
+
+ if (tag == NULL || type == NULL ||
+ x == NULL || y == NULL || z == NULL ||
+ imagex == NULL || imagey == NULL || imagez == NULL ||
+ vtag == NULL || vx == NULL || vy == NULL || vz == NULL) {
+ fprintf(stderr,"Error in atom malloc - no space\n");
+ exit(1);
+ }
+
+ if (charge) {
+ q = (double *) malloc(natoms*sizeof(double));
+ if (q == NULL) {
+ fprintf(stderr,"Error in atom malloc - no space\n");
+ exit(1);
+ }
+ }
+
+ if (molecular) {
+ molecule = (int *) malloc(natoms*sizeof(int));
+ if (molecule == NULL) {
+ fprintf(stderr,"Error in atom malloc - no space\n");
+ exit(1);
+ }
+ }
+
+ if (dipole) {
+ mux = (double *) malloc(natoms*sizeof(double));
+ muy = (double *) malloc(natoms*sizeof(double));
+ muz = (double *) malloc(natoms*sizeof(double));
+ if (mux == NULL || muy == NULL || muz == NULL) {
+ fprintf(stderr,"Error in atom malloc - no space\n");
+ exit(1);
+ }
+ }
+
+ if (style_granular) {
+ radius = (double *) malloc(natoms*sizeof(double));
+ density = (double *) malloc(natoms*sizeof(double));
+ vphix = (double *) malloc(natoms*sizeof(double));
+ vphiy = (double *) malloc(natoms*sizeof(double));
+ vphiz = (double *) malloc(natoms*sizeof(double));
+ if (radius == NULL || density == NULL ||
+ vphix == NULL || vphiy == NULL || vphiz == NULL) {
+ fprintf(stderr,"Error in atom malloc - no space\n");
+ exit(1);
+ }
+ }
+
+ if (nbonds) {
+ btype = (int *) malloc(nbonds*sizeof(int));
+ bond1 = (int *) malloc(nbonds*sizeof(int));
+ bond2 = (int *) malloc(nbonds*sizeof(int));
+
+ if (btype == NULL || bond1 == NULL || bond2 == NULL) {
+ fprintf(stderr,"Error in bond malloc - no space\n");
+ exit(1);
+ }
+ }
+
+ if (nangles) {
+ atype = (int *) malloc(nangles*sizeof(int));
+ angle1 = (int *) malloc(nangles*sizeof(int));
+ angle2 = (int *) malloc(nangles*sizeof(int));
+ angle3 = (int *) malloc(nangles*sizeof(int));
+
+ if (atype == NULL || angle1 == NULL || angle2 == NULL || angle3 == NULL) {
+ fprintf(stderr,"Error in angle malloc - no space\n");
+ exit(1);
+ }
+ }
+
+ if (ndihedrals) {
+ dtype = (int *) malloc(ndihedrals*sizeof(int));
+ dihed1 = (int *) malloc(ndihedrals*sizeof(int));
+ dihed2 = (int *) malloc(ndihedrals*sizeof(int));
+ dihed3 = (int *) malloc(ndihedrals*sizeof(int));
+ dihed4 = (int *) malloc(ndihedrals*sizeof(int));
+
+ if (dtype == NULL || dihed1 == NULL || dihed2 == NULL ||
+ dihed3 == NULL || dihed4 == NULL) {
+ fprintf(stderr,"Error in dihedral malloc - no space\n");
+ exit(1);
+ }
+ }
+
+ if (nimpropers) {
+ itype = (int *) malloc(nimpropers*sizeof(int));
+ impro1 = (int *) malloc(nimpropers*sizeof(int));
+ impro2 = (int *) malloc(nimpropers*sizeof(int));
+ impro3 = (int *) malloc(nimpropers*sizeof(int));
+ impro4 = (int *) malloc(nimpropers*sizeof(int));
+
+ if (itype == NULL || impro1 == NULL || impro2 == NULL ||
+ impro3 == NULL || impro4 == NULL) {
+ fprintf(stderr,"Error in improper malloc - no space\n");
+ exit(1);
+ }
+ }
+
+ /* read identifier strings one by one in free-form part of data file */
+
+ token = gettoken(line,1);
+
+ while (token) {
+
+ /* read atoms */
+
+ if (!strcmp(token,"Atoms")) {
+
+ for (i = 0; i < natoms; i++) {
+ fgets(line,MAXLINE,stdin);
+
+ if (i == 0) {
+ size_atom_actual = count_words(line);
+ if (size_atom_actual == size_atom_valid) imageflag = 0;
+ else if (size_atom_actual == size_atom_valid + 3) imageflag = 1;
+ else {
+ fprintf(stderr,"Error in atom lines\n");
+ exit(1);
+ }
+ if (unmap == 1 && imageflag == 0) {
+ fprintf(stderr,
+ "If unmap is requested, file must have image flags\n");
+ exit(1);
+ }
+ values = (char **) malloc(size_atom_actual*sizeof(char *));
+ }
+
+ values[0] = strtok(line," \t\n");
+ for (m = 1; m < size_atom_actual; m++)
+ values[m] = strtok(NULL," \t\n");
+
+ m = 0;
+ tag[i] = atoi(values[m++]);
+ if (molecular) molecule[i] = atoi(values[m++]);
+ type[i] = atoi(values[m++]);
+ if (charge) q[i] = atof(values[m++]);
+ if (style_granular) {
+ radius[i] = 0.5 * atof(values[m++]);
+ density[i] = atof(values[m++]);
+ }
+ x[i] = atof(values[m++]);
+ y[i] = atof(values[m++]);
+ z[i] = atof(values[m++]);
+ if (style_dipole) {
+ mux[i] = atof(values[m++]);
+ muy[i] = atof(values[m++]);
+ muz[i] = atof(values[m++]);
+ }
+ if (imageflag) {
+ imagex[i] = atoi(values[m++]);
+ imagey[i] = atoi(values[m++]);
+ imagez[i] = atoi(values[m++]);
+ } else imagex[i] = imagey[i] = imagez[i] = 0;
+ }
+
+ /* unmap atoms if requested */
+
+ if (unmap) {
+ for (i = 0; i < natoms; i++) {
+ x[i] = x[i] + imagex[i]*in.xsize;
+ y[i] = y[i] + imagey[i]*in.ysize;
+ z[i] = z[i] + imagez[i]*in.zsize;
+ imagex[i] = imagey[i] = imagez[i] = 0;
+ }
+ }
+
+ /* find number of molecules */
+
+ nmolecules = 0;
+ if (molecular)
+ for (i = 0; i < natoms; i++)
+ if (molecule[i] > nmolecules) nmolecules = molecule[i];
+
+ /* replicate set of N atoms as many times as requested
+ generate new tags, mol number, coords, image flags as needed */
+
+ for (k = 0; k < nz; k++) {
+ for (j = 0; j < ny; j++) {
+ for (i = 0; i < nx; i++) {
+ for (m = 0; m < natoms; m++) {
+ newx = x[m] + i*in.xsize;
+ newy = y[m] + j*in.ysize;
+ newz = z[m] + k*in.zsize;
+ if (outbox) scale(in,nx,ny,nz,out,&newx,&newy,&newz);
+ if (map) pbc(out,&newx,&newy,&newz,
+ &imagex[m],&imagey[m],&imagez[m]);
+ tag_offset = k*ny*nx*natoms + j*nx*natoms + i*natoms;
+ mol_offset = k*ny*nx*nmolecules + j*nx*nmolecules + i*nmolecules;
+
+ line[0] = '\0';
+ sprintf(&line[strlen(line)],"%d",tag[m]+tag_offset);
+ if (molecular) sprintf(&line[strlen(line)]," %d",
+ molecule[m]+mol_offset);
+ sprintf(&line[strlen(line)]," %d",type[m]);
+ if (charge) sprintf(&line[strlen(line)]," %g",q[m]);
+ if (style_granular) sprintf(&line[strlen(line)]," %g %g",
+ radius[m],density[m]);
+ sprintf(&line[strlen(line)]," %g %g %g",newx,newy,newz);
+ if (style_dipole) sprintf(&line[strlen(line)]," %g %g %g",
+ mux[m],muy[m],muz[m]);
+ if (imageout) sprintf(&line[strlen(line)]," %d %d %d",
+ imagex[m],imagey[m],imagez[m]);
+ printf("%s\n",line);
+ }
+ }
+ }
+ }
+
+ }
+
+ /* read velocities and replicate */
+
+ else if (!strcmp(token,"Velocities")) {
+
+ for (i = 0; i < natoms; i++) {
+ fgets(line,MAXLINE,stdin);
+ if (!style_granular)
+ sscanf(line,"%d %lg %lg %lg",&vtag[i],&vx[i],&vy[i],&vz[i]);
+ else
+ sscanf(line,"%d %lg %lg %lg %lg %lg %lg",&vtag[i],
+ &vx[i],&vy[i],&vz[i],&vphix[i],&vphiy[i],&vphiz[i]);
+ }
+
+ for (k = 0; k < nz; k++) {
+ for (j = 0; j < ny; j++) {
+ for (i = 0; i < nx; i++) {
+ for (m = 0; m < natoms; m++) {
+ tag_offset = k*ny*nx*natoms + j*nx*natoms + i*natoms;
+ if (!style_granular)
+ printf("%d %g %g %g\n",vtag[m]+tag_offset,vx[m],vy[m],vz[m]);
+ else
+ printf("%d %g %g %g %g %g %g\n",vtag[m]+tag_offset,
+ vx[m],vy[m],vz[m],vphix[m],vphiy[m],vphiz[m]);
+ }
+ }
+ }
+ }
+
+ }
+
+ /* read bonds and replicate */
+
+ else if (!strcmp(token,"Bonds")) {
+
+ for (i = 0; i < nbonds; i++) {
+ fgets(line,MAXLINE,stdin);
+ sscanf(line,"%d %d %d %d",&n,&btype[i],&bond1[i],&bond2[i]);
+ }
+
+ n = 0;
+ for (k = 0; k < nz; k++)
+ for (j = 0; j < ny; j++)
+ for (i = 0; i < nx; i++)
+ for (m = 0; m < nbonds; m++) {
+ n++;
+ del = k*ny*nx*natoms + j*nx*natoms + i*natoms;
+ printf("%d %d %d %d\n",n,btype[m],bond1[m]+del,bond2[m]+del);
+ }
+ }
+
+ /* read angles and replicate */
+
+ else if (!strcmp(token,"Angles")) {
+
+ for (i = 0; i < nangles; i++) {
+ fgets(line,MAXLINE,stdin);
+ sscanf(line,"%d %d %d %d %d",&n,&atype[i],
+ &angle1[i],&angle2[i],&angle3[i]);
+ }
+
+ n = 0;
+ for (k = 0; k < nz; k++)
+ for (j = 0; j < ny; j++)
+ for (i = 0; i < nx; i++)
+ for (m = 0; m < nangles; m++) {
+ n++;
+ del = k*ny*nx*natoms + j*nx*natoms + i*natoms;
+ printf("%d %d %d %d %d\n",n,atype[m],
+ angle1[m]+del,angle2[m]+del,angle3[m]+del);
+ }
+ }
+
+ /* read dihedrals and replicate */
+
+ else if (!strcmp(token,"Dihedrals")) {
+
+ for (i = 0; i < ndihedrals; i++) {
+ fgets(line,MAXLINE,stdin);
+ sscanf(line,"%d %d %d %d %d %d",&n,&dtype[i],&dihed1[i],&dihed2[i],
+ &dihed3[i],&dihed4[i]);
+ }
+
+ n = 0;
+ for (k = 0; k < nz; k++)
+ for (j = 0; j < ny; j++)
+ for (i = 0; i < nx; i++)
+ for (m = 0; m < ndihedrals; m++) {
+ n++;
+ del = k*ny*nx*natoms + j*nx*natoms + i*natoms;
+ printf("%d %d %d %d %d %d\n",n,dtype[m],
+ dihed1[m]+del,dihed2[m]+del,dihed3[m]+del,dihed4[m]+del);
+ }
+ }
+
+ /* read impropers and replicate */
+
+ else if (!strcmp(token,"Impropers")) {
+
+ for (i = 0; i < nimpropers; i++) {
+ fgets(line,MAXLINE,stdin);
+ sscanf(line,"%d %d %d %d %d %d",&n,&itype[i],&impro1[i],&impro2[i],
+ &impro3[i],&impro4[i]);
+ }
+
+ n = 0;
+ for (k = 0; k < nz; k++)
+ for (j = 0; j < ny; j++)
+ for (i = 0; i < nx; i++)
+ for (m = 0; m < nimpropers; m++) {
+ n++;
+ del = k*ny*nx*natoms + j*nx*natoms + i*natoms;
+ printf("%d %d %d %d %d %d\n",n,itype[m],
+ impro1[m]+del,impro2[m]+del,impro3[m]+del,impro4[m]+del);
+ }
+ }
+
+ /* non-replicated sections
+ just copy proper number of lines from in to out */
+
+ else if (!strcmp(token,"Masses"))
+ copyline(ntypes);
+ else if (!strcmp(token,"Dipoles"))
+ copyline(ntypes);
+ else if (!strcmp(token,"Pair Coeffs"))
+ copyline(ntypes);
+ else if (!strcmp(token,"Bond Coeffs"))
+ copyline(nbondtypes);
+ else if (!strcmp(token,"Angle Coeffs"))
+ copyline(nangletypes);
+ else if (!strcmp(token,"Dihedral Coeffs"))
+ copyline(ndihedtypes);
+ else if (!strcmp(token,"Improper Coeffs"))
+ copyline(nimprotypes);
+ else if (!strcmp(token,"BondBond Coeffs"))
+ copyline(nangletypes);
+ else if (!strcmp(token,"BondAngle Coeffs"))
+ copyline(nangletypes);
+ else if (!strcmp(token,"MiddleBondTorsion Coeffs"))
+ copyline(ndihedtypes);
+ else if (!strcmp(token,"EndBondTorsion Coeffs"))
+ copyline(ndihedtypes);
+ else if (!strcmp(token,"AngleTorsion Coeffs"))
+ copyline(ndihedtypes);
+ else if (!strcmp(token,"AngleAngleTorsion Coeffs"))
+ copyline(ndihedtypes);
+ else if (!strcmp(token,"BondBond13 Coeffs"))
+ copyline(ndihedtypes);
+ else if (!strcmp(token,"AngleAngle Coeffs"))
+ copyline(nimprotypes);
+ else {
+ fprintf(stderr,
+ "Error in input data file - unknown identifier %s\n",token);
+ exit(1);
+ }
+
+ token = gettoken(line,0);
+ }
+
+}
+
+/* ------------------------------------------------------------------- */
+
+/* return a LAMMPS keyword from data file
+ if first is 1, non-blank line with token is in line
+ else read until find a non-blank line
+ keyword is all text on line w/out leading & trailing white space
+ read one additional line after non-blank line (assumed blank)
+ return ptr to keyword
+ return NULL if end of file */
+
+char *gettoken(char *line, int first)
+{
+ char buffer[MAXLINE];
+
+ // read upto non-blank line plus 1 following line
+ // eof is set to 1 if any read hits end-of-file
+
+ int eof = 0;
+
+ if (!first) if (fgets(line,MAXLINE,stdin) == NULL) eof = 1;
+ while (eof == 0 && strspn(line," \t\n\r") == strlen(line))
+ if (fgets(line,MAXLINE,stdin) == NULL) eof = 1;
+ if (fgets(buffer,MAXLINE,stdin) == NULL) eof = 1;
+
+ // if eof, return NULL
+
+ if (eof) return NULL;
+
+ // bracket non-whitespace portion of line
+
+ int start = strspn(line," \t\n\r");
+ int stop = strlen(line) - 1;
+ while (line[stop] == ' ' || line[stop] == '\t'
+ || line[stop] == '\n' || line[stop] == '\r') stop--;
+ line[stop+1] = '\0';
+
+ // print keyword into output file
+
+ if (first) printf("%s\n\n",&line[start]);
+ else printf("\n%s\n\n",&line[start]);
+
+ // return ptr to keyword
+
+ return &line[start];
+}
+
+/* count and return words in a single line
+ make copy of line before using strtok so as not to change line
+ trim anything from '#' onward */
+
+int count_words(char *line)
+{
+ int n = strlen(line) + 1;
+ char *copy = (char *) malloc(n*sizeof(char));
+ strcpy(copy,line);
+
+ char *ptr;
+ if (ptr = strchr(copy,'#')) *ptr = '\0';
+
+ if (strtok(copy," \t\n") == NULL) return 0;
+ n = 1;
+ while (strtok(NULL," \t\n")) n++;
+
+ free(copy);
+ return n;
+}
+
+/* copy n lines from stdin to stdout */
+
+void copyline(int n)
+{
+ char line[1000];
+
+ while (n) {
+ fgets(line,MAXLINE,stdin);
+ printf("%s",line);
+ n--;
+ }
+}
+
+/* point (x,y,z) is somewhere in (or near) the replicated box "in"
+ rescale (x,y,z) so it is in the same relative location in box "out"
+ do this by 1st converting to 0-1 coord system in "in" space */
+
+void scale(struct box in, int nx, int ny, int nz,
+ struct box out, double *x, double *y, double *z)
+{
+ double rel;
+
+ rel = (*x-in.xlo) / (nx*in.xsize);
+ *x = out.xlo + rel*out.xsize;
+ rel = (*y-in.ylo) / (ny*in.ysize);
+ *y = out.ylo + rel*out.ysize;
+ rel = (*z-in.zlo) / (nz*in.zsize);
+ *z = out.zlo + rel*out.zsize;
+}
+
+/* remap the point (x,y,z) so it is guaranteed to be inside the box
+ using standard periodic imaging, update image flags */
+
+void pbc(struct box box, double *x, double *y, double *z,
+ int *imagex, int *imagey, int *imagez)
+{
+ while (*x < box.xlo) {
+ *x += box.xsize;
+ *imagex -= 1;
+ }
+ while (*x >= box.xhi) {
+ *x -= box.xsize;
+ *imagex += 1;
+ }
+ while (*y < box.ylo) {
+ *y += box.ysize;
+ *imagey -= 1;
+ }
+ while (*y >= box.yhi) {
+ *y -= box.ysize;
+ *imagey += 1;
+ }
+ while (*z < box.zlo) {
+ *z += box.zsize;
+ *imagez -= 1;
+ }
+ while (*z >= box.zhi) {
+ *z -= box.zsize;
+ *imagez += 1;
+ }
+}
+
diff --git a/tools/restart2data.cpp b/tools/restart2data.cpp
new file mode 100644
index 0000000000..1b07cb499c
--- /dev/null
+++ b/tools/restart2data.cpp
@@ -0,0 +1,1947 @@
+/* -----------------------------------------------------------------------
+ LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+ www.cs.sandia.gov/~sjplimp/lammps.html
+ Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+
+ Copyright (2003) Sandia Corporation. Under the terms of Contract
+ DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+ certain rights in this software. This software is distributed under
+ the GNU General Public License.
+
+ See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------ */
+
+// Convert a LAMMPS binary restart file into an ASCII text data file
+//
+// Syntax: restart2data restart-file data-file
+//
+// this serial code must be compiled on a platform that can read the binary
+// restart file since binary formats are not compatible across all platforms
+// restart-file can have a '%' character to indicate a multiproc restart
+// file as written by LAMMPS
+
+#include "stdio.h"
+#include "stdlib.h"
+#include "string.h"
+
+#define MIN(a,b) ((a) < (b) ? (a) : (b))
+#define MAX(a,b) ((a) > (b) ? (a) : (b))
+
+// ---------------------------------------------------------------------
+// Data class to hold problem
+// ---------------------------------------------------------------------
+
+class Data {
+ public:
+
+ // global settings
+
+ char *version;
+ int ntimestep;
+ int nprocs;
+ char *unit_style;
+ int dimension;
+ int px,py,pz;
+ int newton_pair,newton_bond;
+ int xperiodic,yperiodic,zperiodic;
+ int boundary[3][2];
+
+ char *atom_style;
+ int style_angle,style_atomic,style_bond,style_charge,style_dipole;
+ int style_dpd,style_full,style_granular,style_hybrid,style_molecular;
+ int charge_allow,molecular;
+ int bonds_allow,angles_allow,dihedrals_allow,impropers_allow;
+
+ int natoms,nbonds,nangles,ndihedrals,nimpropers;
+ int ntypes,nbondtypes,nangletypes,ndihedraltypes,nimpropertypes;
+ int bond_per_atom,angle_per_atom,dihedral_per_atom,improper_per_atom;
+ int mass_require,dipole_require;
+ double xlo,xhi,ylo,yhi,zlo,zhi;
+ double special_lj[4],special_coul[4];
+
+ // force fields
+
+ char *pair_style,*bond_style,*angle_style,*dihedral_style,*improper_style;
+
+ double *pair_buck_A,*pair_buck_rho,*pair_buck_C;
+ double *pair_dpd_a0,*pair_dpd_gamma;
+ double *pair_charmm_epsilon,*pair_charmm_sigma;
+ double *pair_charmm_eps14,*pair_charmm_sigma14;
+ double *pair_class2_epsilon,*pair_class2_sigma;
+ double *pair_lj_epsilon,*pair_lj_sigma;
+ double *pair_ljexpand_epsilon,*pair_ljexpand_sigma,*pair_ljexpand_shift;
+ double *pair_morse_d0,*pair_morse_alpha,*pair_morse_r0;
+ double *pair_soft_start,*pair_soft_stop;
+ double *pair_yukawa_A;
+
+ double *bond_class2_r0,*bond_class2_k2,*bond_class2_k3,*bond_class2_k4;
+ double *bond_fene_k,*bond_fene_r0,*bond_fene_epsilon,*bond_fene_sigma;
+ double *bond_feneexpand_k,*bond_feneexpand_r0;
+ double *bond_feneexpand_epsilon,*bond_feneexpand_sigma;
+ double *bond_feneexpand_shift;
+ double *bond_harmonic_k,*bond_harmonic_r0;
+ double *bond_morse_d0,*bond_morse_alpha,*bond_morse_r0;
+ double *bond_nonlinear_epsilon,*bond_nonlinear_r0,*bond_nonlinear_lamda;
+
+ double *angle_charmm_k,*angle_charmm_theta0;
+ double *angle_charmm_k_ub,*angle_charmm_r_ub;
+ double *angle_class2_theta0;
+ double *angle_class2_k2,*angle_class2_k3,*angle_class2_k4;
+ double *angle_class2_bb_k,*angle_class2_bb_r1,*angle_class2_bb_r2;
+ double *angle_class2_ba_k1,*angle_class2_ba_k2;
+ double *angle_class2_ba_r1,*angle_class2_ba_r2;
+ double *angle_cosine_k;
+ double *angle_cosine_squared_k,*angle_cosine_squared_theta0;
+ double *angle_harmonic_k,*angle_harmonic_theta0;
+
+ double *dihedral_charmm_k,*dihedral_charmm_weight;
+ int *dihedral_charmm_multiplicity,*dihedral_charmm_sign;
+ double *dihedral_class2_k1,*dihedral_class2_k2,*dihedral_class2_k3;
+ double *dihedral_class2_phi1,*dihedral_class2_phi2,*dihedral_class2_phi3;
+ double *dihedral_class2_mbt_f1,*dihedral_class2_mbt_f2;
+ double *dihedral_class2_mbt_f3,*dihedral_class2_mbt_r0;
+ double *dihedral_class2_ebt_f1_1,*dihedral_class2_ebt_f2_1;
+ double *dihedral_class2_ebt_f3_1,*dihedral_class2_ebt_r0_1;
+ double *dihedral_class2_ebt_f1_2,*dihedral_class2_ebt_f2_2;
+ double *dihedral_class2_ebt_f3_2,*dihedral_class2_ebt_r0_2;
+ double *dihedral_class2_at_f1_1,*dihedral_class2_at_f2_1;
+ double *dihedral_class2_at_f3_1,*dihedral_class2_at_theta0_1;
+ double *dihedral_class2_at_f1_2,*dihedral_class2_at_f2_2;
+ double *dihedral_class2_at_f3_2,*dihedral_class2_at_theta0_2;
+ double *dihedral_class2_aat_k;
+ double *dihedral_class2_aat_theta0_1,*dihedral_class2_aat_theta0_2;
+ double *dihedral_class2_bb13_k;
+ double *dihedral_class2_bb13_r10,*dihedral_class2_bb13_r30;
+ double *dihedral_harmonic_k;
+ int *dihedral_harmonic_multiplicity,*dihedral_harmonic_sign;
+ double *dihedral_helix_aphi,*dihedral_helix_bphi,*dihedral_helix_cphi;
+ double *dihedral_multi_a1,*dihedral_multi_a2,*dihedral_multi_a3;
+ double *dihedral_multi_a4,*dihedral_multi_a5;
+
+ double *improper_class2_k0,*improper_class2_chi0;
+ double *improper_class2_aa_k1,*improper_class2_aa_k2,*improper_class2_aa_k3;
+ double *improper_class2_aa_theta0_1,*improper_class2_aa_theta0_2;
+ double *improper_class2_aa_theta0_3;
+ double *improper_cvff_k;
+ int *improper_cvff_sign,*improper_cvff_multiplicity;
+ double *improper_harmonic_k,*improper_harmonic_chi;
+
+ // atom quantities
+
+ int iatoms,ibonds,iangles,idihedrals,iimpropers;
+
+ double *mass,*dipole;
+ double *x,*y,*z,*vx,*vy,*vz;
+ double *phix,*phiy,*phiz,*phivx,*phivy,*phivz;
+ int *tag,*type,*mask,*image;
+ int *molecule;
+ double *q,*mux,*muy,*muz,*radius,*density;
+ int *bond_type,*angle_type,*dihedral_type,*improper_type;
+ int *bond_atom1,*bond_atom2;
+ int *angle_atom1,*angle_atom2,*angle_atom3;
+ int *dihedral_atom1,*dihedral_atom2,*dihedral_atom3,*dihedral_atom4;
+ int *improper_atom1,*improper_atom2,*improper_atom3,*improper_atom4;
+
+ // functions
+
+ Data();
+ void stats();
+ void write(FILE *);
+};
+
+// ---------------------------------------------------------------------
+// function prototypes
+// ---------------------------------------------------------------------
+
+void header(FILE *, Data &);
+void set_style(char *, Data &);
+void groups(FILE *);
+void masses(FILE *, Data &);
+void dipoles(FILE *, Data &);
+void force_fields(FILE *, Data &);
+void modify(FILE *);
+void pair(FILE *fp, Data &data, char *style, int flag);
+void bond(FILE *fp, Data &data);
+void angle(FILE *fp, Data &data);
+void dihedral(FILE *fp, Data &data);
+void improper(FILE *fp, Data &data);
+int atom(double *, Data &data);
+
+int read_int(FILE *fp);
+double read_double(FILE *fp);
+char *read_char(FILE *fp);
+
+// ---------------------------------------------------------------------
+// main program
+// ---------------------------------------------------------------------
+
+main (int argc, char **argv)
+{
+ // syntax error check
+
+ if (argc != 3) {
+ printf("Syntax: restart2data restart-file data-file\n");
+ exit(1);
+ }
+
+ // if restart file contains '%', file = filename with % replaced by "base"
+ // else file = single file
+
+ int multiproc;
+ char *file,*ptr;
+
+ if (ptr = strchr(argv[1],'%')) {
+ multiproc = 1;
+ file = new char[strlen(argv[1]) + 16];
+ *ptr = '\0';
+ sprintf(file,"%s%s%s",argv[1],"base",ptr+1);
+ } else {
+ multiproc = 0;
+ file = argv[1];
+ }
+
+ // open single restart file or base file for multiproc case
+
+ printf("Reading restart file ...\n");
+ FILE *fp = fopen(file,"rb");
+ if (fp == NULL) {
+ printf("ERROR: Cannot open restart file %s\n",file);
+ exit(1);
+ }
+
+ // read beginning of restart file
+
+ Data data;
+
+ header(fp,data);
+ groups(fp);
+ if (data.mass_require) masses(fp,data);
+ if (data.dipole_require) dipoles(fp,data);
+ force_fields(fp,data);
+ modify(fp);
+
+ // read atoms from single or multiple restart files
+
+ double *buf = NULL;
+ int n,m;
+ int maxbuf = 0;
+ data.iatoms = data.ibonds = data.iangles =
+ data.idihedrals = data.iimpropers = 0;
+
+ for (int iproc = 0; iproc < data.nprocs; iproc++) {
+ if (multiproc) {
+ fclose(fp);
+ sprintf(file,"%s%d%s",argv[1],iproc,ptr+1);
+ fp = fopen(file,"rb");
+ if (fp == NULL) {
+ printf("ERROR: Cannot open restart file %s\n",file);
+ exit(1);
+ }
+ }
+ n = read_int(fp);
+
+ if (n > maxbuf) {
+ maxbuf = n;
+ delete [] buf;
+ buf = new double[maxbuf];
+ }
+
+ fread(buf,sizeof(double),n,fp);
+
+ m = 0;
+ while (m < n) m += atom(&buf[m],data);
+ }
+
+ fclose(fp);
+
+ // print out stats
+
+ data.stats();
+
+ // write out data file
+
+ printf("Writing data file ...\n");
+ fp = fopen(argv[2],"w");
+ if (fp == NULL) {
+ printf("ERROR: Cannot open data file %s\n",argv[2]);
+ exit(1);
+ }
+
+ data.write(fp);
+ fclose(fp);
+}
+
+// ---------------------------------------------------------------------
+// read header of restart file
+// ---------------------------------------------------------------------
+
+void header(FILE *fp, Data &data)
+{
+ char *version = "1 Oct 2006";
+
+ int flag;
+ flag = read_int(fp);
+
+ while (flag >= 0) {
+
+ if (flag == 0) {
+ data.version = read_char(fp);
+ if (strcmp(version,data.version) != 0) {
+ char *str = "Restart file version does not match restart2data version";
+ printf("WARNING %s\n",str);
+ printf(" restart2data version = %s\n",version);
+ }
+ }
+ else if (flag == 1) data.unit_style = read_char(fp);
+ else if (flag == 2) data.ntimestep = read_int(fp);
+ else if (flag == 3) data.dimension = read_int(fp);
+ else if (flag == 4) data.nprocs = read_int(fp);
+ else if (flag == 5) data.px = read_int(fp);
+ else if (flag == 6) data.py = read_int(fp);
+ else if (flag == 7) data.pz = read_int(fp);
+ else if (flag == 8) data.newton_pair = read_int(fp);
+ else if (flag == 9) data.newton_bond = read_int(fp);
+ else if (flag == 10) data.xperiodic = read_int(fp);
+ else if (flag == 11) data.yperiodic = read_int(fp);
+ else if (flag == 12) data.zperiodic = read_int(fp);
+ else if (flag == 13) data.boundary[0][0] = read_int(fp);
+ else if (flag == 14) data.boundary[0][1] = read_int(fp);
+ else if (flag == 15) data.boundary[1][0] = read_int(fp);
+ else if (flag == 16) data.boundary[1][1] = read_int(fp);
+ else if (flag == 17) data.boundary[2][0] = read_int(fp);
+ else if (flag == 18) data.boundary[2][1] = read_int(fp);
+
+ // if atom_style = hybrid, read additional sub-class arguments
+
+ else if (flag == 19) {
+ data.style_angle = data.style_atomic = data.style_bond =
+ data.style_charge = data.style_dipole = data.style_dpd =
+ data.style_full = data.style_granular =
+ data.style_hybrid = data.style_molecular = 0;
+
+ data.atom_style = read_char(fp);
+ set_style(data.atom_style,data);
+
+ if (strcmp(data.atom_style,"hybrid") == 0) {
+ int nwords = read_int(fp);
+ char *substyle;
+ for (int i = 0; i < nwords; i++) {
+ substyle = read_char(fp);
+ set_style(substyle,data);
+ }
+ }
+ }
+
+ else if (flag == 20) data.natoms = static_cast<int> (read_double(fp));
+ else if (flag == 21) data.ntypes = read_int(fp);
+ else if (flag == 22) data.nbonds = read_int(fp);
+ else if (flag == 23) data.nbondtypes = read_int(fp);
+ else if (flag == 24) data.bond_per_atom = read_int(fp);
+ else if (flag == 25) data.nangles = read_int(fp);
+ else if (flag == 26) data.nangletypes = read_int(fp);
+ else if (flag == 27) data.angle_per_atom = read_int(fp);
+ else if (flag == 28) data.ndihedrals = read_int(fp);
+ else if (flag == 29) data.ndihedraltypes = read_int(fp);
+ else if (flag == 30) data.dihedral_per_atom = read_int(fp);
+ else if (flag == 31) data.nimpropers = read_int(fp);
+ else if (flag == 32) data.nimpropertypes = read_int(fp);
+ else if (flag == 33) data.improper_per_atom = read_int(fp);
+ else if (flag == 34) data.xlo = read_double(fp);
+ else if (flag == 35) data.xhi = read_double(fp);
+ else if (flag == 36) data.ylo = read_double(fp);
+ else if (flag == 37) data.yhi = read_double(fp);
+ else if (flag == 38) data.zlo = read_double(fp);
+ else if (flag == 39) data.zhi = read_double(fp);
+ else if (flag == 40) data.special_lj[1] = read_double(fp);
+ else if (flag == 41) data.special_lj[2] = read_double(fp);
+ else if (flag == 42) data.special_lj[3] = read_double(fp);
+ else if (flag == 43) data.special_coul[1] = read_double(fp);
+ else if (flag == 44) data.special_coul[2] = read_double(fp);
+ else if (flag == 45) data.special_coul[3] = read_double(fp);
+ else {
+ printf("ERROR: Invalid flag in header of restart file %d\n",flag);
+ exit(1);
+ }
+
+ flag = read_int(fp);
+ }
+
+ // set flags based on atom_style
+
+ data.mass_require = 0;
+ if (data.style_angle || data.style_atomic || data.style_bond ||
+ data.style_charge || data.style_dipole || data.style_dpd ||
+ data.style_full || data.style_hybrid || data.style_molecular)
+ data.mass_require = 1;
+
+ data.charge_allow = 0;
+ if (data.style_charge || data.style_full || data.style_dipole)
+ data.charge_allow = 1;
+
+ data.dipole_require = 0;
+ if (data.style_dipole) data.dipole_require = 1;
+
+ data.molecular = 0;
+ if (data.style_angle || data.style_bond || data.style_full ||
+ data.style_molecular)
+ data.molecular = 1;
+
+ data.bonds_allow = 0;
+ if (data.style_angle || data.style_bond || data.style_full ||
+ data.style_molecular)
+ data.bonds_allow = 1;
+
+ data.angles_allow = 0;
+ if (data.style_angle || data.style_full || data.style_molecular)
+ data.angles_allow = 1;
+
+ data.dihedrals_allow = 0;
+ if (data.style_full || data.style_molecular) data.dihedrals_allow = 1;
+
+ data.impropers_allow = 0;
+ if (data.style_full || data.style_molecular) data.impropers_allow = 1;
+}
+
+void set_style(char *name, Data &data)
+{
+ if (strcmp(name,"angle") == 0) data.style_angle = 1;
+ else if (strcmp(name,"atomic") == 0) data.style_atomic = 1;
+ else if (strcmp(name,"bond") == 0) data.style_bond = 1;
+ else if (strcmp(name,"charge") == 0) data.style_charge = 1;
+ else if (strcmp(name,"dipole") == 0) data.style_dipole = 1;
+ else if (strcmp(name,"dpd") == 0) data.style_dpd = 1;
+ else if (strcmp(name,"full") == 0) data.style_full = 1;
+ else if (strcmp(name,"granular") == 0) data.style_granular = 1;
+ else if (strcmp(name,"hybrid") == 0) data.style_hybrid = 1;
+ else if (strcmp(name,"molecular") == 0) data.style_molecular = 1;
+ else {
+ printf("ERROR: Unknown atom style %s\n",name);
+ exit(1);
+ }
+}
+
+// ---------------------------------------------------------------------
+// read group info from restart file, just ignore it
+// ---------------------------------------------------------------------
+
+void groups(FILE *fp)
+{
+ int ngroup = read_int(fp);
+
+ int n;
+ char *name;
+
+ for (int i = 0; i < ngroup; i++) {
+ name = read_char(fp);
+ delete [] name;
+ }
+}
+
+// ---------------------------------------------------------------------
+// read masses from restart file
+// ---------------------------------------------------------------------
+
+void masses(FILE *fp, Data &data)
+{
+ data.mass = new double[data.ntypes+1];
+ fread(&data.mass[1],sizeof(double),data.ntypes,fp);
+}
+
+// ---------------------------------------------------------------------
+// read dipoles from restart file
+// ---------------------------------------------------------------------
+
+void dipoles(FILE *fp, Data &data)
+{
+ data.dipole = new double[data.ntypes+1];
+ fread(&data.dipole[1],sizeof(double),data.ntypes,fp);
+}
+
+// ---------------------------------------------------------------------
+// read force-field info from restart file
+// ---------------------------------------------------------------------
+
+void force_fields(FILE *fp, Data &data)
+{
+ int n;
+
+ data.pair_style = read_char(fp);
+ if (data.pair_style) pair(fp,data,data.pair_style,1);
+
+ if (data.bonds_allow) {
+ data.bond_style = read_char(fp);
+ if (data.bond_style) bond(fp,data);
+ }
+ if (data.angles_allow) {
+ data.angle_style = read_char(fp);
+ if (data.angle_style) angle(fp,data);
+ }
+ if (data.dihedrals_allow) {
+ data.dihedral_style = read_char(fp);
+ if (data.dihedral_style) dihedral(fp,data);
+ }
+ if (data.impropers_allow) {
+ data.improper_style = read_char(fp);
+ if (data.improper_style) improper(fp,data);
+ }
+}
+
+// ---------------------------------------------------------------------
+// read fix info from restart file, just ignore it
+// ---------------------------------------------------------------------
+
+void modify(FILE *fp)
+{
+ char *buf;
+ int n;
+
+ // nfix = # of fix entries with state
+
+ int nfix = read_int(fp);
+
+ // read each entry with id string, style string, chunk of data
+
+ for (int i = 0; i < nfix; i++) {
+ buf = read_char(fp); delete [] buf;
+ buf = read_char(fp); delete [] buf;
+ buf = read_char(fp); delete [] buf;
+ }
+
+ // nfix = # of fix entries with peratom info
+
+ int nfix_peratom = read_int(fp);
+
+ // read each entry with id string, style string, maxsize of one atom data
+
+ for (int i = 0; i < nfix_peratom; i++) {
+ buf = read_char(fp); delete [] buf;
+ buf = read_char(fp); delete [] buf;
+ n = read_int(fp);
+ }
+}
+
+// ---------------------------------------------------------------------
+// read atom info from restart file and store in data struct
+// ---------------------------------------------------------------------
+
+int atom(double *buf, Data &data)
+{
+ if (data.iatoms == 0) {
+ data.x = new double[data.natoms];
+ data.y = new double[data.natoms];
+ data.z = new double[data.natoms];
+ data.tag = new int[data.natoms];
+ data.type = new int[data.natoms];
+ data.mask = new int[data.natoms];
+ data.image = new int[data.natoms];
+ data.vx = new double[data.natoms];
+ data.vy = new double[data.natoms];
+ data.vz = new double[data.natoms];
+
+ if (data.charge_allow) data.q = new double[data.natoms];
+
+ if (data.style_dipole) {
+ data.mux = new double[data.natoms];
+ data.muy = new double[data.natoms];
+ data.muz = new double[data.natoms];
+ }
+
+ if (data.style_granular) {
+ data.phix = new double[data.natoms];
+ data.phiy = new double[data.natoms];
+ data.phiz = new double[data.natoms];
+ data.phivx = new double[data.natoms];
+ data.phivy = new double[data.natoms];
+ data.phivz = new double[data.natoms];
+ data.radius = new double[data.natoms];
+ data.density = new double[data.natoms];
+ }
+
+ if (data.molecular) {
+ data.molecule = new int[data.natoms];
+
+ if (data.bonds_allow) {
+ data.bond_type = new int[data.nbonds];
+ data.bond_atom1 = new int[data.nbonds];
+ data.bond_atom2 = new int[data.nbonds];
+ }
+
+ if (data.angles_allow) {
+ data.angle_type = new int[data.nangles];
+ data.angle_atom1 = new int[data.nangles];
+ data.angle_atom2 = new int[data.nangles];
+ data.angle_atom3 = new int[data.nangles];
+ }
+
+ if (data.dihedrals_allow) {
+ data.dihedral_type = new int[data.ndihedrals];
+ data.dihedral_atom1 = new int[data.ndihedrals];
+ data.dihedral_atom2 = new int[data.ndihedrals];
+ data.dihedral_atom3 = new int[data.ndihedrals];
+ data.dihedral_atom4 = new int[data.ndihedrals];
+ }
+
+ if (data.impropers_allow) {
+ data.improper_type = new int[data.nimpropers];
+ data.improper_atom1 = new int[data.nimpropers];
+ data.improper_atom2 = new int[data.nimpropers];
+ data.improper_atom3 = new int[data.nimpropers];
+ data.improper_atom4 = new int[data.nimpropers];
+ }
+ }
+ }
+
+ int iatoms = data.iatoms;
+
+ int m = 1;
+
+ data.x[iatoms] = buf[m++];
+ data.y[iatoms] = buf[m++];
+ data.z[iatoms] = buf[m++];
+ data.tag[iatoms] = static_cast<int> (buf[m++]);
+ data.type[iatoms] = static_cast<int> (buf[m++]);
+ data.mask[iatoms] = static_cast<int> (buf[m++]);
+ data.image[iatoms] = static_cast<int> (buf[m++]);
+ data.vx[iatoms] = buf[m++];
+ data.vy[iatoms] = buf[m++];
+ data.vz[iatoms] = buf[m++];
+
+ if (data.charge_allow) data.q[iatoms] = buf[m++];
+
+ if (data.style_dipole) {
+ data.mux[iatoms] = buf[m++];
+ data.muy[iatoms] = buf[m++];
+ data.muz[iatoms] = buf[m++];
+ }
+
+ if (data.style_granular) {
+ data.phix[iatoms] = buf[m++];
+ data.phiy[iatoms] = buf[m++];
+ data.phiz[iatoms] = buf[m++];
+ data.phivx[iatoms] = buf[m++];
+ data.phivy[iatoms] = buf[m++];
+ data.phivz[iatoms] = buf[m++];
+ data.radius[iatoms] = buf[m++];
+ data.density[iatoms] = buf[m++];
+ }
+
+ if (data.molecular) {
+ data.molecule[iatoms] = static_cast<int> (buf[m++]);
+
+ int type,atom1,atom2,atom3,atom4;
+
+ if (data.bonds_allow) {
+ int n = static_cast<int> (buf[m++]);
+ for (int k = 0; k < n; k++) {
+ type = static_cast<int> (buf[m++]);
+ atom1 = static_cast<int> (buf[m++]);
+ if (data.newton_bond || data.tag[iatoms] < atom1) {
+ data.bond_type[data.ibonds] = type;
+ data.bond_atom1[data.ibonds] = data.tag[iatoms];
+ data.bond_atom2[data.ibonds] = atom1;
+ data.ibonds++;
+ }
+ }
+ }
+
+ if (data.angles_allow) {
+ int n = static_cast<int> (buf[m++]);
+ for (int k = 0; k < n; k++) {
+ type = static_cast<int> (buf[m++]);
+ atom1 = static_cast<int> (buf[m++]);
+ atom2 = static_cast<int> (buf[m++]);
+ atom3 = static_cast<int> (buf[m++]);
+ if (data.newton_bond || data.tag[iatoms] == atom2) {
+ data.angle_type[data.iangles] = type;
+ data.angle_atom1[data.iangles] = atom1;
+ data.angle_atom2[data.iangles] = atom2;
+ data.angle_atom3[data.iangles] = atom3;
+ data.iangles++;
+ }
+ }
+ }
+
+ if (data.dihedrals_allow) {
+ int n = static_cast<int> (buf[m++]);
+ for (int k = 0; k < n; k++) {
+ type = static_cast<int> (buf[m++]);
+ atom1 = static_cast<int> (buf[m++]);
+ atom2 = static_cast<int> (buf[m++]);
+ atom3 = static_cast<int> (buf[m++]);
+ atom4 = static_cast<int> (buf[m++]);
+ if (data.newton_bond || data.tag[iatoms] == atom2) {
+ data.dihedral_type[data.idihedrals] = type;
+ data.dihedral_atom1[data.idihedrals] = atom1;
+ data.dihedral_atom2[data.idihedrals] = atom2;
+ data.dihedral_atom3[data.idihedrals] = atom3;
+ data.dihedral_atom4[data.idihedrals] = atom4;
+ data.idihedrals++;
+ }
+ }
+ }
+
+ if (data.impropers_allow) {
+ int n = static_cast<int> (buf[m++]);
+ for (int k = 0; k < n; k++) {
+ type = static_cast<int> (buf[m++]);
+ atom1 = static_cast<int> (buf[m++]);
+ atom2 = static_cast<int> (buf[m++]);
+ atom3 = static_cast<int> (buf[m++]);
+ atom4 = static_cast<int> (buf[m++]);
+ if (data.newton_bond || data.tag[iatoms] == atom2) {
+ data.improper_type[data.iimpropers] = type;
+ data.improper_atom1[data.iimpropers] = atom1;
+ data.improper_atom2[data.iimpropers] = atom2;
+ data.improper_atom3[data.iimpropers] = atom3;
+ data.improper_atom4[data.iimpropers] = atom4;
+ data.iimpropers++;
+ }
+ }
+ }
+
+ }
+
+ data.iatoms++;
+ m = static_cast<int> (buf[0]);
+ return m;
+}
+
+// ---------------------------------------------------------------------
+// pair coeffs
+// one section for each pair style
+// flag = 1, read all coeff info and allocation arrays
+// flag = 0, just read global settings (when called recursively by hybrid)
+// ---------------------------------------------------------------------
+
+void pair(FILE *fp, Data &data, char *style, int flag)
+{
+ int i,j,m;
+ int itmp;
+ double rtmp;
+
+ if (strcmp(style,"none") == 0) {
+
+ } else if ((strcmp(style,"buck") == 0) ||
+ (strcmp(style,"buck/coul/cut") == 0) ||
+ (strcmp(style,"buck/coul/long") == 0)) {
+
+ if (strcmp(style,"buck") == 0) {
+ m = 0;
+ double cut_lj_global = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ } else if (strcmp(style,"buck/coul/cut") == 0) {
+ m = 1;
+ double cut_lj_global = read_double(fp);
+ double cut_lj_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ } else if (strcmp(style,"buck/coul/long") == 0) {
+ m = 0;
+ double cut_lj_global = read_double(fp);
+ double cut_lj_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ }
+
+ if (!flag) return;
+
+ data.pair_buck_A = new double[data.ntypes+1];
+ data.pair_buck_rho = new double[data.ntypes+1];
+ data.pair_buck_C = new double[data.ntypes+1];
+
+ for (i = 1; i <= data.ntypes; i++)
+ for (j = i; j <= data.ntypes; j++) {
+ itmp = read_int(fp);
+ if (i == j && itmp == 0) {
+ printf("ERROR: Pair coeff %d,%d is not in restart file\n",i,j);
+ exit(1);
+ }
+ if (itmp) {
+ if (i == j) {
+ data.pair_buck_A[i] = read_double(fp);
+ data.pair_buck_rho[i] = read_double(fp);
+ data.pair_buck_C[i] = read_double(fp);
+ double cut_lj = read_double(fp);
+ if (m) double cut_coul = read_double(fp);
+ } else {
+ double buck_A = read_double(fp);
+ double buck_rho = read_double(fp);
+ double buck_C = read_double(fp);
+ double cut_lj = read_double(fp);
+ if (m) double cut_coul = read_double(fp);
+ }
+ }
+ }
+
+ } else if (strcmp(style,"dpd") == 0) {
+
+ double temperature = read_double(fp);
+ double cut_global = read_double(fp);
+ int seed = read_int(fp);
+ int mix_flag = read_int(fp);
+
+ if (!flag) return;
+
+ data.pair_dpd_a0 = new double[data.ntypes+1];
+ data.pair_dpd_gamma = new double[data.ntypes+1];
+
+ for (i = 1; i <= data.ntypes; i++)
+ for (j = i; j <= data.ntypes; j++) {
+ itmp = read_int(fp);
+ if (i == j && itmp == 0) {
+ printf("ERROR: Pair coeff %d,%d is not in restart file\n",i,j);
+ exit(1);
+ }
+ if (itmp) {
+ data.pair_dpd_a0[i] = read_double(fp);
+ data.pair_dpd_gamma[i] = read_double(fp);
+ double cut = read_double(fp);
+ } else {
+ double dpd_da0 = read_double(fp);
+ double dpd_gamma = read_double(fp);
+ double cut = read_double(fp);
+ }
+ }
+
+ } else if (strcmp(style,"eam") == 0) {
+ } else if (strcmp(style,"eam/alloy") == 0) {
+ } else if (strcmp(style,"eam/fs") == 0) {
+
+ } else if ((strcmp(style,"gran/history") == 0) ||
+ (strcmp(style,"gran/no_history") == 0) ||
+ (strcmp(style,"gran/hertzian") == 0)) {
+
+ double xkk = read_double(fp);
+ double gamman = read_double(fp);
+ double xmu = read_double(fp);
+ int dampflag = read_int(fp);
+
+ } else if ((strcmp(style,"lj/charmm/coul/charmm") == 0) ||
+ (strcmp(style,"lj/charmm/coul/charmm/implicit") == 0) ||
+ (strcmp(style,"lj/charmm/coul/long") == 0)) {
+
+ if (strcmp(style,"lj/charmm/coul/charmm") == 0) {
+ double cut_lj_inner = read_double(fp);
+ double cut_lj = read_double(fp);
+ double cut_coul_inner = read_double(fp);
+ double cut_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ } else if (strcmp(style,"lj/charmm/coul/charmm/implicit") == 0) {
+ double cut_lj_inner = read_double(fp);
+ double cut_lj = read_double(fp);
+ double cut_coul_inner = read_double(fp);
+ double cut_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ } else if (strcmp(style,"lj/charmm/coul/long") == 0) {
+ double cut_lj_inner = read_double(fp);
+ double cut_lj = read_double(fp);
+ double cut_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ }
+
+ if (!flag) return;
+
+ data.pair_charmm_epsilon = new double[data.ntypes+1];
+ data.pair_charmm_sigma = new double[data.ntypes+1];
+ data.pair_charmm_eps14 = new double[data.ntypes+1];
+ data.pair_charmm_sigma14 = new double[data.ntypes+1];
+
+ for (i = 1; i <= data.ntypes; i++)
+ for (j = i; j <= data.ntypes; j++) {
+ itmp = read_int(fp);
+ if (i == j && itmp == 0) {
+ printf("ERROR: Pair coeff %d,%d is not in restart file\n",i,j);
+ exit(1);
+ }
+ if (itmp) {
+ if (i == j) {
+ data.pair_charmm_epsilon[i] = read_double(fp);
+ data.pair_charmm_sigma[i] = read_double(fp);
+ data.pair_charmm_eps14[i] = read_double(fp);
+ data.pair_charmm_sigma14[i] = read_double(fp);
+ } else {
+ double charmm_epsilon = read_double(fp);
+ double charmm_sigma = read_double(fp);
+ double charmm_eps14 = read_double(fp);
+ double charmm_sigma14 = read_double(fp);
+ }
+ }
+ }
+
+ } else if ((strcmp(style,"lj/class2") == 0) ||
+ (strcmp(style,"lj/class2/coul/cut") == 0) ||
+ (strcmp(style,"lj/class2/coul/long") == 0)) {
+
+ if (strcmp(style,"lj/class2") == 0) {
+ m = 0;
+ double cut_lj_global = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ } else if (strcmp(style,"lj/class2/coul/cut") == 0) {
+ m = 1;
+ double cut_lj_global = read_double(fp);
+ double cut_lj_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ } else if (strcmp(style,"lj/class2/coul/long") == 0) {
+ m = 0;
+ double cut_lj_global = read_double(fp);
+ double cut_lj_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ }
+
+ if (!flag) return;
+
+ data.pair_class2_epsilon = new double[data.ntypes+1];
+ data.pair_class2_sigma = new double[data.ntypes+1];
+
+ for (i = 1; i <= data.ntypes; i++)
+ for (j = i; j <= data.ntypes; j++) {
+ itmp = read_int(fp);
+ if (i == j && itmp == 0) {
+ printf("ERROR: Pair coeff %d,%d is not in restart file\n",i,j);
+ exit(1);
+ }
+ if (itmp) {
+ if (i == j) {
+ data.pair_class2_epsilon[i] = read_double(fp);
+ data.pair_class2_sigma[i] = read_double(fp);
+ double cut_lj = read_double(fp);
+ if (m) double cut_coul = read_double(fp);
+ } else {
+ double class2_epsilon = read_double(fp);
+ double class2_sigma = read_double(fp);
+ double cut_lj = read_double(fp);
+ if (m) double cut_coul = read_double(fp);
+ }
+ }
+ }
+
+ } else if ((strcmp(style,"lj/cut") == 0) ||
+ (strcmp(style,"lj/cut/coul/cut") == 0) ||
+ (strcmp(style,"lj/cut/coul/debye") == 0) ||
+ (strcmp(style,"lj/cut/coul/long") == 0) ||
+ (strcmp(style,"lj/cut/coul/long/tip4p") == 0)) {
+
+ if (strcmp(style,"lj/cut") == 0) {
+ m = 0;
+ double cut_lj_global = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ } else if (strcmp(style,"lj/cut/coul/cut") == 0) {
+ m = 1;
+ double cut_lj_global = read_double(fp);
+ double cut_lj_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ } else if (strcmp(style,"lj/cut/coul/debye") == 0) {
+ m = 1;
+ double cut_lj_global = read_double(fp);
+ double cut_lj_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ } else if (strcmp(style,"lj/cut/coul/long") == 0) {
+ m = 0;
+ double cut_lj_global = read_double(fp);
+ double cut_lj_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ } else if (strcmp(style,"lj/cut/coul/long/tip4p") == 0) {
+ m = 0;
+ int typeO = read_int(fp);
+ int typeH = read_int(fp);
+ int typeB = read_int(fp);
+ int typeA = read_int(fp);
+ double qdist = read_double(fp);
+ double cut_lj_global = read_double(fp);
+ double cut_lj_coul = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+ }
+
+ if (!flag) return;
+
+ data.pair_lj_epsilon = new double[data.ntypes+1];
+ data.pair_lj_sigma = new double[data.ntypes+1];
+
+ for (i = 1; i <= data.ntypes; i++)
+ for (j = i; j <= data.ntypes; j++) {
+ itmp = read_int(fp);
+ if (i == j && itmp == 0) {
+ printf("ERROR: Pair coeff %d,%d is not in restart file\n",i,j);
+ exit(1);
+ }
+ if (itmp) {
+ if (i == j) {
+ data.pair_lj_epsilon[i] = read_double(fp);
+ data.pair_lj_sigma[i] = read_double(fp);
+ double cut_lj = read_double(fp);
+ if (m) double cut_coul = read_double(fp);
+ } else {
+ double lj_epsilon = read_double(fp);
+ double lj_sigma = read_double(fp);
+ double cut_lj = read_double(fp);
+ if (m) double cut_coul = read_double(fp);
+ }
+ }
+ }
+
+ } else if (strcmp(style,"lj/expand") == 0) {
+
+ double cut_global = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+
+ if (!flag) return;
+
+ data.pair_ljexpand_epsilon = new double[data.ntypes+1];
+ data.pair_ljexpand_sigma = new double[data.ntypes+1];
+ data.pair_ljexpand_shift = new double[data.ntypes+1];
+
+ for (i = 1; i <= data.ntypes; i++)
+ for (j = i; j <= data.ntypes; j++) {
+ itmp = read_int(fp);
+ if (i == j && itmp == 0) {
+ printf("ERROR: Pair coeff %d,%d is not in restart file\n",i,j);
+ exit(1);
+ }
+ if (itmp) {
+ data.pair_ljexpand_epsilon[i] = read_double(fp);
+ data.pair_ljexpand_sigma[i] = read_double(fp);
+ data.pair_ljexpand_shift[i] = read_double(fp);
+ double cut_lj = read_double(fp);
+ } else {
+ double ljexpand_epsilon = read_double(fp);
+ double ljexpand_sigma = read_double(fp);
+ double ljexpand_shift = read_double(fp);
+ double cut_lj = read_double(fp);
+ }
+ }
+
+ } else if (strcmp(style,"morse") == 0) {
+
+ double cut_global = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+
+ if (!flag) return;
+
+ data.pair_morse_d0 = new double[data.ntypes+1];
+ data.pair_morse_alpha = new double[data.ntypes+1];
+ data.pair_morse_r0 = new double[data.ntypes+1];
+
+ for (i = 1; i <= data.ntypes; i++)
+ for (j = i; j <= data.ntypes; j++) {
+ itmp = read_int(fp);
+ if (i == j && itmp == 0) {
+ printf("ERROR: Pair coeff %d,%d is not in restart file\n",i,j);
+ exit(1);
+ }
+ if (itmp) {
+ data.pair_morse_d0[i] = read_double(fp);
+ data.pair_morse_alpha[i] = read_double(fp);
+ data.pair_morse_r0[i] = read_double(fp);
+ double cut = read_double(fp);
+ } else {
+ double morse_d0 = read_double(fp);
+ double morse_alpha = read_double(fp);
+ double morse_r0 = read_double(fp);
+ double cut = read_double(fp);
+ }
+ }
+
+ } else if (strcmp(style,"soft") == 0) {
+
+ double cut_global = read_double(fp);
+ int mix_flag = read_int(fp);
+
+ if (!flag) return;
+
+ data.pair_soft_start = new double[data.ntypes+1];
+ data.pair_soft_stop = new double[data.ntypes+1];
+
+ for (i = 1; i <= data.ntypes; i++)
+ for (j = i; j <= data.ntypes; j++) {
+ itmp = read_int(fp);
+ if (i == j && itmp == 0) {
+ printf("ERROR: Pair coeff %d,%d is not in restart file\n",i,j);
+ exit(1);
+ }
+ if (itmp) {
+ data.pair_soft_start[i] = read_double(fp);
+ data.pair_soft_stop[i] = read_double(fp);
+ double cut = read_double(fp);
+ } else {
+ double soft_start = read_double(fp);
+ double soft_stop = read_double(fp);
+ double cut = read_double(fp);
+ }
+ }
+
+ } else if (strcmp(style,"table") == 0) {
+
+ int tabstyle = read_int(fp);
+ int n = read_int(fp);
+
+ } else if (strcmp(style,"yukawa") == 0) {
+
+ double kappa = read_double(fp);
+ double cut_global = read_double(fp);
+ int offset_flag = read_int(fp);
+ int mix_flag = read_int(fp);
+
+ if (!flag) return;
+
+ data.pair_yukawa_A = new double[data.ntypes+1];
+
+ for (i = 1; i <= data.ntypes; i++)
+ for (j = i; j <= data.ntypes; j++) {
+ itmp = read_int(fp);
+ if (i == j && itmp == 0) {
+ printf("ERROR: Pair coeff %d,%d is not in restart file\n",i,j);
+ exit(1);
+ }
+ if (itmp) {
+ data.pair_yukawa_A[i] = read_double(fp);
+ double cut = read_double(fp);
+ } else {
+ double yukawa_A = read_double(fp);
+ double cut = read_double(fp);
+ }
+ }
+
+ } else if (strcmp(style,"hybrid") == 0) {
+
+ // for each substyle of hybrid,
+ // read its settings by calling pair() recursively with flag = 0
+ // so that coeff array allocation is skipped
+
+ int nstyles = read_int(fp);
+ for (int i = 0; i < nstyles; i++) {
+ char *substyle = read_char(fp);
+ pair(fp,data,substyle,0);
+ }
+
+ } else {
+ printf("ERROR: Unknown pair style %s\n",style);
+ exit(1);
+ }
+}
+
+// ---------------------------------------------------------------------
+// bond coeffs
+// one section for each bond style
+// ---------------------------------------------------------------------
+
+void bond(FILE *fp, Data &data)
+{
+ if (strcmp(data.bond_style,"none") == 0) {
+
+ } else if (strcmp(data.bond_style,"class2") == 0) {
+
+ data.bond_class2_r0 = new double[data.nbondtypes+1];
+ data.bond_class2_k2 = new double[data.nbondtypes+1];
+ data.bond_class2_k3 = new double[data.nbondtypes+1];
+ data.bond_class2_k4 = new double[data.nbondtypes+1];
+ fread(&data.bond_class2_r0[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_class2_k2[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_class2_k3[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_class2_k4[1],sizeof(double),data.nbondtypes,fp);
+
+ } else if (strcmp(data.bond_style,"fene") == 0) {
+
+ data.bond_fene_k = new double[data.nbondtypes+1];
+ data.bond_fene_r0 = new double[data.nbondtypes+1];
+ data.bond_fene_epsilon = new double[data.nbondtypes+1];
+ data.bond_fene_sigma = new double[data.nbondtypes+1];
+ fread(&data.bond_fene_k[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_fene_r0[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_fene_epsilon[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_fene_sigma[1],sizeof(double),data.nbondtypes,fp);
+
+ } else if (strcmp(data.bond_style,"fene/expand") == 0) {
+
+ data.bond_feneexpand_k = new double[data.nbondtypes+1];
+ data.bond_feneexpand_r0 = new double[data.nbondtypes+1];
+ data.bond_feneexpand_epsilon = new double[data.nbondtypes+1];
+ data.bond_feneexpand_sigma = new double[data.nbondtypes+1];
+ data.bond_feneexpand_shift = new double[data.nbondtypes+1];
+ fread(&data.bond_feneexpand_k[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_feneexpand_r0[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_feneexpand_epsilon[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_feneexpand_sigma[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_feneexpand_shift[1],sizeof(double),data.nbondtypes,fp);
+
+ } else if (strcmp(data.bond_style,"harmonic") == 0) {
+
+ data.bond_harmonic_k = new double[data.nbondtypes+1];
+ data.bond_harmonic_r0 = new double[data.nbondtypes+1];
+ fread(&data.bond_harmonic_k[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_harmonic_r0[1],sizeof(double),data.nbondtypes,fp);
+
+ } else if (strcmp(data.bond_style,"morse") == 0) {
+
+ data.bond_morse_d0 = new double[data.nbondtypes+1];
+ data.bond_morse_alpha = new double[data.nbondtypes+1];
+ data.bond_morse_r0 = new double[data.nbondtypes+1];
+ fread(&data.bond_morse_d0[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_morse_alpha[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_morse_r0[1],sizeof(double),data.nbondtypes,fp);
+
+ } else if (strcmp(data.bond_style,"nonlinear") == 0) {
+
+ data.bond_nonlinear_epsilon = new double[data.nbondtypes+1];
+ data.bond_nonlinear_r0 = new double[data.nbondtypes+1];
+ data.bond_nonlinear_lamda = new double[data.nbondtypes+1];
+ fread(&data.bond_nonlinear_epsilon[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_nonlinear_r0[1],sizeof(double),data.nbondtypes,fp);
+ fread(&data.bond_nonlinear_lamda[1],sizeof(double),data.nbondtypes,fp);
+
+ } else if (strcmp(data.bond_style,"hybrid") == 0) {
+
+ int nstyles = read_int(fp);
+ for (int i = 0; i < nstyles; i++)
+ char *substyle = read_char(fp);
+
+ } else {
+ printf("ERROR: Unknown bond style %s\n",data.bond_style);
+ exit(1);
+ }
+}
+
+// ---------------------------------------------------------------------
+// angle coeffs
+// one section for each angle style
+// ---------------------------------------------------------------------
+
+void angle(FILE *fp, Data &data)
+{
+ if (strcmp(data.angle_style,"none") == 0) {
+
+ } else if (strcmp(data.angle_style,"charmm") == 0) {
+
+ data.angle_charmm_k = new double[data.nangletypes+1];
+ data.angle_charmm_theta0 = new double[data.nangletypes+1];
+ data.angle_charmm_k_ub = new double[data.nangletypes+1];
+ data.angle_charmm_r_ub = new double[data.nangletypes+1];
+ fread(&data.angle_charmm_k[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_charmm_theta0[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_charmm_k_ub[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_charmm_r_ub[1],sizeof(double),data.nangletypes,fp);
+
+ } else if (strcmp(data.angle_style,"class2") == 0) {
+
+ data.angle_class2_theta0 = new double[data.nangletypes+1];
+ data.angle_class2_k2 = new double[data.nangletypes+1];
+ data.angle_class2_k3 = new double[data.nangletypes+1];
+ data.angle_class2_k4 = new double[data.nangletypes+1];
+
+ data.angle_class2_bb_k = new double[data.nangletypes+1];
+ data.angle_class2_bb_r1 = new double[data.nangletypes+1];
+ data.angle_class2_bb_r2 = new double[data.nangletypes+1];
+
+ data.angle_class2_ba_k1 = new double[data.nangletypes+1];
+ data.angle_class2_ba_k2 = new double[data.nangletypes+1];
+ data.angle_class2_ba_r1 = new double[data.nangletypes+1];
+ data.angle_class2_ba_r2 = new double[data.nangletypes+1];
+
+ fread(&data.angle_class2_theta0[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_class2_k2[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_class2_k3[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_class2_k4[1],sizeof(double),data.nangletypes,fp);
+
+ fread(&data.angle_class2_bb_k[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_class2_bb_r1[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_class2_bb_r2[1],sizeof(double),data.nangletypes,fp);
+
+ fread(&data.angle_class2_ba_k1[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_class2_ba_k2[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_class2_ba_r1[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_class2_ba_r2[1],sizeof(double),data.nangletypes,fp);
+
+ } else if (strcmp(data.angle_style,"cosine") == 0) {
+
+ data.angle_cosine_k = new double[data.nangletypes+1];
+ fread(&data.angle_cosine_k[1],sizeof(double),data.nangletypes,fp);
+
+ } else if (strcmp(data.angle_style,"cosine/squared") == 0) {
+
+ data.angle_cosine_squared_k = new double[data.nangletypes+1];
+ data.angle_cosine_squared_theta0 = new double[data.nangletypes+1];
+ fread(&data.angle_cosine_squared_k[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_cosine_squared_theta0[1],
+ sizeof(double),data.nangletypes,fp);
+
+ } else if (strcmp(data.angle_style,"harmonic") == 0) {
+
+ data.angle_harmonic_k = new double[data.nangletypes+1];
+ data.angle_harmonic_theta0 = new double[data.nangletypes+1];
+ fread(&data.angle_harmonic_k[1],sizeof(double),data.nangletypes,fp);
+ fread(&data.angle_harmonic_theta0[1],sizeof(double),data.nangletypes,fp);
+
+ } else {
+ printf("ERROR: Unknown angle style %s\n",data.angle_style);
+ exit(1);
+ }
+}
+
+// ---------------------------------------------------------------------
+// dihedral coeffs
+// one section for each dihedral style
+// ---------------------------------------------------------------------
+
+void dihedral(FILE *fp, Data &data)
+{
+ if (strcmp(data.dihedral_style,"none") == 0) {
+
+ } else if (strcmp(data.dihedral_style,"charmm") == 0) {
+
+ data.dihedral_charmm_k = new double[data.ndihedraltypes+1];
+ data.dihedral_charmm_multiplicity = new int[data.ndihedraltypes+1];
+ data.dihedral_charmm_sign = new int[data.ndihedraltypes+1];
+ data.dihedral_charmm_weight = new double[data.ndihedraltypes+1];
+ fread(&data.dihedral_charmm_k[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_charmm_multiplicity[1],sizeof(int),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_charmm_sign[1],sizeof(int),data.ndihedraltypes,fp);
+ fread(&data.dihedral_charmm_weight[1],sizeof(double),
+ data.ndihedraltypes,fp);
+
+ } else if (strcmp(data.dihedral_style,"class2") == 0) {
+
+ data.dihedral_class2_k1 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_k2 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_k3 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_phi1 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_phi2 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_phi3 = new double[data.ndihedraltypes+1];
+
+ data.dihedral_class2_mbt_f1 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_mbt_f2 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_mbt_f3 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_mbt_r0 = new double[data.ndihedraltypes+1];
+
+ data.dihedral_class2_ebt_f1_1 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_ebt_f2_1 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_ebt_f3_1 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_ebt_r0_1 = new double[data.ndihedraltypes+1];
+
+ data.dihedral_class2_ebt_f1_2 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_ebt_f2_2 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_ebt_f3_2 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_ebt_r0_2 = new double[data.ndihedraltypes+1];
+
+ data.dihedral_class2_at_f1_1 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_at_f2_1 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_at_f3_1 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_at_theta0_1 = new double[data.ndihedraltypes+1];
+
+ data.dihedral_class2_at_f1_2 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_at_f2_2 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_at_f3_2 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_at_theta0_2 = new double[data.ndihedraltypes+1];
+
+ data.dihedral_class2_aat_k = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_aat_theta0_1 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_aat_theta0_2 = new double[data.ndihedraltypes+1];
+
+ data.dihedral_class2_bb13_k = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_bb13_r10 = new double[data.ndihedraltypes+1];
+ data.dihedral_class2_bb13_r30 = new double[data.ndihedraltypes+1];
+
+ fread(&data.dihedral_class2_k1[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_k2[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_k3[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_phi1[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_phi2[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_phi3[1],sizeof(double),data.ndihedraltypes,fp);
+
+ fread(&data.dihedral_class2_mbt_f1[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_mbt_f2[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_mbt_f3[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_mbt_r0[1],sizeof(double),
+ data.ndihedraltypes,fp);
+
+ fread(&data.dihedral_class2_ebt_f1_1[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_ebt_f2_1[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_ebt_f3_1[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_ebt_r0_1[1],sizeof(double),
+ data.ndihedraltypes,fp);
+
+ fread(&data.dihedral_class2_ebt_f1_2[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_ebt_f2_2[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_ebt_f3_2[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_ebt_r0_2[1],sizeof(double),
+ data.ndihedraltypes,fp);
+
+ fread(&data.dihedral_class2_at_f1_1[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_at_f2_1[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_at_f3_1[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_at_theta0_1[1],sizeof(double),
+ data.ndihedraltypes,fp);
+
+ fread(&data.dihedral_class2_at_f1_2[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_at_f2_2[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_at_f3_2[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_at_theta0_2[1],sizeof(double),
+ data.ndihedraltypes,fp);
+
+ fread(&data.dihedral_class2_aat_k[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_aat_theta0_1[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_aat_theta0_2[1],sizeof(double),
+ data.ndihedraltypes,fp);
+
+ fread(&data.dihedral_class2_bb13_k[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_bb13_r10[1],sizeof(double),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_class2_bb13_r30[1],sizeof(double),
+ data.ndihedraltypes,fp);
+
+ } else if (strcmp(data.dihedral_style,"harmonic") == 0) {
+
+ data.dihedral_harmonic_k = new double[data.ndihedraltypes+1];
+ data.dihedral_harmonic_multiplicity = new int[data.ndihedraltypes+1];
+ data.dihedral_harmonic_sign = new int[data.ndihedraltypes+1];
+ fread(&data.dihedral_harmonic_k[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_harmonic_multiplicity[1],sizeof(int),
+ data.ndihedraltypes,fp);
+ fread(&data.dihedral_harmonic_sign[1],sizeof(int),data.ndihedraltypes,fp);
+
+ } else if (strcmp(data.dihedral_style,"helix") == 0) {
+
+ data.dihedral_helix_aphi = new double[data.ndihedraltypes+1];
+ data.dihedral_helix_bphi = new double[data.ndihedraltypes+1];
+ data.dihedral_helix_cphi = new double[data.ndihedraltypes+1];
+ fread(&data.dihedral_helix_aphi[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_helix_bphi[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_helix_cphi[1],sizeof(double),data.ndihedraltypes,fp);
+
+ } else if (strcmp(data.dihedral_style,"multi/harmonic") == 0) {
+
+ data.dihedral_multi_a1 = new double[data.ndihedraltypes+1];
+ data.dihedral_multi_a2 = new double[data.ndihedraltypes+1];
+ data.dihedral_multi_a3 = new double[data.ndihedraltypes+1];
+ data.dihedral_multi_a4 = new double[data.ndihedraltypes+1];
+ data.dihedral_multi_a5 = new double[data.ndihedraltypes+1];
+ fread(&data.dihedral_multi_a1[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_multi_a2[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_multi_a3[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_multi_a4[1],sizeof(double),data.ndihedraltypes,fp);
+ fread(&data.dihedral_multi_a5[1],sizeof(double),data.ndihedraltypes,fp);
+
+ } else {
+ printf("ERROR: Unknown dihedral style %s\n",data.dihedral_style);
+ exit(1);
+ }
+}
+
+// ---------------------------------------------------------------------
+// improper coeffs
+// one section for each improper style
+// ---------------------------------------------------------------------
+
+void improper(FILE *fp, Data &data)
+{
+ if (strcmp(data.improper_style,"none") == 0) {
+
+ } else if (strcmp(data.improper_style,"class2") == 0) {
+
+ data.improper_class2_k0 = new double[data.nimpropertypes+1];
+ data.improper_class2_chi0 = new double[data.nimpropertypes+1];
+
+ data.improper_class2_aa_k1 = new double[data.nimpropertypes+1];
+ data.improper_class2_aa_k2 = new double[data.nimpropertypes+1];
+ data.improper_class2_aa_k3 = new double[data.nimpropertypes+1];
+ data.improper_class2_aa_theta0_1 = new double[data.nimpropertypes+1];
+ data.improper_class2_aa_theta0_2 = new double[data.nimpropertypes+1];
+ data.improper_class2_aa_theta0_3 = new double[data.nimpropertypes+1];
+
+ fread(&data.improper_class2_k0[1],sizeof(double),
+ data.nimpropertypes,fp);
+ fread(&data.improper_class2_chi0[1],sizeof(double),
+ data.nimpropertypes,fp);
+
+ fread(&data.improper_class2_aa_k1[1],sizeof(double),
+ data.nimpropertypes,fp);
+ fread(&data.improper_class2_aa_k2[1],sizeof(double),
+ data.nimpropertypes,fp);
+ fread(&data.improper_class2_aa_k3[1],sizeof(double),
+ data.nimpropertypes,fp);
+ fread(&data.improper_class2_aa_theta0_1[1],sizeof(double),
+ data.nimpropertypes,fp);
+ fread(&data.improper_class2_aa_theta0_2[1],sizeof(double),
+ data.nimpropertypes,fp);
+ fread(&data.improper_class2_aa_theta0_3[1],sizeof(double),
+ data.nimpropertypes,fp);
+
+ } else if (strcmp(data.improper_style,"cvff") == 0) {
+
+ data.improper_cvff_k = new double[data.nimpropertypes+1];
+ data.improper_cvff_sign = new int[data.nimpropertypes+1];
+ data.improper_cvff_multiplicity = new int[data.nimpropertypes+1];
+ fread(&data.improper_cvff_k[1],sizeof(double),data.nimpropertypes,fp);
+ fread(&data.improper_cvff_sign[1],sizeof(int),data.nimpropertypes,fp);
+ fread(&data.improper_cvff_multiplicity[1],sizeof(int),
+ data.nimpropertypes,fp);
+
+ } else if (strcmp(data.improper_style,"harmonic") == 0) {
+
+ data.improper_harmonic_k = new double[data.nimpropertypes+1];
+ data.improper_harmonic_chi = new double[data.nimpropertypes+1];
+ fread(&data.improper_harmonic_k[1],sizeof(double),data.nimpropertypes,fp);
+ fread(&data.improper_harmonic_chi[1],sizeof(double),
+ data.nimpropertypes,fp);
+
+ } else {
+ printf("ERROR: Unknown improper style %s\n",data.improper_style);
+ exit(1);
+ }
+}
+
+// ---------------------------------------------------------------------
+// initialize ptrs in Data
+// ---------------------------------------------------------------------
+
+Data::Data()
+{
+ pair_style = bond_style = angle_style =
+ dihedral_style = improper_style = NULL;
+}
+
+// ---------------------------------------------------------------------
+// print out stats on problem
+// ---------------------------------------------------------------------
+
+void Data::stats()
+{
+ printf(" Restart file version = %s\n",version);
+ printf(" Ntimestep = %d\n",ntimestep);
+ printf(" Nprocs = %d\n",nprocs);
+ printf(" Natoms = %d\n",natoms);
+ printf(" Nbonds = %d\n",nbonds);
+ printf(" Nangles = %d\n",nangles);
+ printf(" Ndihedrals = %d\n",ndihedrals);
+ printf(" Nimpropers = %d\n",nimpropers);
+ printf(" Unit style = %s\n",unit_style);
+ printf(" Atom style = %s\n",atom_style);
+ printf(" Pair style = %s\n",pair_style);
+ printf(" Bond style = %s\n",bond_style);
+ printf(" Angle style = %s\n",angle_style);
+ printf(" Dihedral style = %s\n",dihedral_style);
+ printf(" Improper style = %s\n",improper_style);
+ printf(" Xlo/xhi = %g %g\n",xlo,xhi);
+ printf(" Ylo/yhi = %g %g\n",ylo,yhi);
+ printf(" Zlo/zhi = %g %g\n",zlo,zhi);
+ printf(" Periodicity = %d %d %d\n",xperiodic,yperiodic,zperiodic);
+ printf(" Boundary = %d %d, %d %d, %d %d\n",boundary[0][0],boundary[0][1],
+ boundary[1][0],boundary[1][1],boundary[2][0],boundary[2][1]);
+}
+
+// ---------------------------------------------------------------------
+// write the data file
+// ---------------------------------------------------------------------
+
+void Data::write(FILE *fp)
+{
+ fprintf(fp,"LAMMPS data file from restart file: timestep = %d, procs = %d\n",
+ ntimestep,nprocs);
+
+ fprintf(fp,"\n");
+
+ fprintf(fp,"%d atoms\n",natoms);
+ if (nbonds) fprintf(fp,"%d bonds\n",nbonds);
+ if (nangles) fprintf(fp,"%d angles\n",nangles);
+ if (ndihedrals) fprintf(fp,"%d dihedrals\n",ndihedrals);
+ if (nimpropers) fprintf(fp,"%d impropers\n",nimpropers);
+
+ fprintf(fp,"\n");
+
+ fprintf(fp,"%d atom types\n",ntypes);
+ if (nbondtypes) fprintf(fp,"%d bond types\n",nbondtypes);
+ if (nangletypes) fprintf(fp,"%d angle types\n",nangletypes);
+ if (ndihedraltypes) fprintf(fp,"%d dihedral types\n",ndihedraltypes);
+ if (nimpropertypes) fprintf(fp,"%d improper types\n",nimpropertypes);
+
+ fprintf(fp,"\n");
+
+ fprintf(fp,"%g %g xlo xhi\n",xlo,xhi);
+ fprintf(fp,"%g %g ylo yhi\n",ylo,yhi);
+ fprintf(fp,"%g %g zlo zhi\n",zlo,zhi);
+
+ if (mass_require) {
+ fprintf(fp,"\nMasses\n\n");
+ for (int i = 1; i <= ntypes; i++) fprintf(fp,"%d %g\n",i,mass[i]);
+ }
+
+ if (dipole_require) {
+ fprintf(fp,"\nDipoles\n\n");
+ for (int i = 1; i <= ntypes; i++) fprintf(fp,"%d %g\n",i,dipole[i]);
+ }
+
+ if (pair_style) {
+ if ((strcmp(pair_style,"none") != 0) &&
+ (strcmp(pair_style,"eam") != 0) &&
+ (strcmp(pair_style,"gran/history") != 0) &&
+ (strcmp(pair_style,"gran/no_history") != 0) &&
+ (strcmp(pair_style,"gran/hertzian") != 0) &&
+ (strcmp(pair_style,"table") != 0) &&
+ (strcmp(pair_style,"hybrid") != 0))
+ fprintf(fp,"\nPair Coeffs\n\n");
+
+ if ((strcmp(pair_style,"buck") == 0) ||
+ (strcmp(pair_style,"buck/coul/cut") == 0) ||
+ (strcmp(pair_style,"buck/coul/long") == 0)) {
+ for (int i = 1; i <= ntypes; i++)
+ fprintf(fp,"%d %g %g %g\n",i,
+ pair_buck_A[i],pair_buck_rho[i],pair_buck_C[i]);
+
+ } else if ((strcmp(pair_style,"lj/charmm/coul/charmm") == 0) ||
+ (strcmp(pair_style,"lj/charmm/coul/long") == 0) ||
+ (strcmp(pair_style,"lj/charmm/coul/charmm/implicit") == 0)) {
+ for (int i = 1; i <= ntypes; i++)
+ fprintf(fp,"%d %g %g %g %g\n",i,
+ pair_charmm_epsilon[i],pair_charmm_sigma[i],
+ pair_charmm_eps14[i],pair_charmm_sigma14[i]);
+
+ } else if ((strcmp(pair_style,"lj/class2") == 0) ||
+ (strcmp(pair_style,"lj/class2/coul/cut") == 0) ||
+ (strcmp(pair_style,"lj/class2/coul/long") == 0)) {
+ for (int i = 1; i <= ntypes; i++)
+ fprintf(fp,"%d %g %g\n",i,
+ pair_class2_epsilon[i],pair_class2_sigma[i]);
+
+ } else if ((strcmp(pair_style,"lj/cut") == 0) ||
+ (strcmp(pair_style,"lj/cut/coul/cut") == 0) ||
+ (strcmp(pair_style,"lj/cut/coul/debye") == 0) ||
+ (strcmp(pair_style,"lj/cut/coul/long") == 0) ||
+ (strcmp(pair_style,"lj/cut/coul/long/tip4p") == 0)) {
+ for (int i = 1; i <= ntypes; i++)
+ fprintf(fp,"%d %g %g\n",i,
+ pair_lj_epsilon[i],pair_lj_sigma[i]);
+
+ } else if (strcmp(pair_style,"lj/expand") == 0) {
+ for (int i = 1; i <= ntypes; i++)
+ fprintf(fp,"%d %g %g %g\n",i,
+ pair_ljexpand_epsilon[i],pair_ljexpand_sigma[i],
+ pair_ljexpand_shift[i]);
+
+ } else if (strcmp(pair_style,"morse") == 0) {
+ for (int i = 1; i <= ntypes; i++)
+ fprintf(fp,"%d %g %g %g\n",i,
+ pair_morse_d0[i],pair_morse_alpha[i],pair_morse_r0[i]);
+
+ } else if (strcmp(pair_style,"soft") == 0) {
+ for (int i = 1; i <= ntypes; i++)
+ fprintf(fp,"%d %g %g\n",i,
+ pair_soft_start[i],pair_soft_stop[i]);
+
+ } else if (strcmp(pair_style,"yukawa") == 0) {
+ for (int i = 1; i <= ntypes; i++)
+ fprintf(fp,"%d %g\n",i,
+ pair_yukawa_A[i]);
+ }
+ }
+
+ if (bond_style) {
+ if ((strcmp(bond_style,"none") != 0) &&
+ (strcmp(bond_style,"hybrid") != 0))
+ fprintf(fp,"\nBond Coeffs\n\n");
+
+ if (strcmp(bond_style,"class2") == 0) {
+ for (int i = 1; i <= nbondtypes; i++)
+ fprintf(fp,"%d %g %g %g %g\n",i,
+ bond_class2_r0[i],bond_class2_k2[i],
+ bond_class2_k3[i],bond_class2_k4[i]);
+
+ } else if (strcmp(bond_style,"fene") == 0) {
+ for (int i = 1; i <= nbondtypes; i++)
+ fprintf(fp,"%d %g %g %g %g\n",i,
+ bond_fene_k[i],bond_fene_r0[i],
+ bond_fene_epsilon[i],bond_fene_sigma[i]);
+
+ } else if (strcmp(bond_style,"fene/expand") == 0) {
+ for (int i = 1; i <= nbondtypes; i++)
+ fprintf(fp,"%d %g %g %g %g %g\n",i,
+ bond_feneexpand_k[i],bond_feneexpand_r0[i],
+ bond_feneexpand_epsilon[i],bond_feneexpand_sigma[i],
+ bond_feneexpand_shift[i]);
+
+ } else if (strcmp(bond_style,"harmonic") == 0) {
+ for (int i = 1; i <= nbondtypes; i++)
+ fprintf(fp,"%d %g %g\n",i,
+ bond_harmonic_k[i],bond_harmonic_r0[i]);
+
+ } else if (strcmp(bond_style,"morse") == 0) {
+ for (int i = 1; i <= nbondtypes; i++)
+ fprintf(fp,"%d %g %g %g\n",i,
+ bond_morse_d0[i],bond_morse_alpha[i],bond_morse_r0[i]);
+
+ } else if (strcmp(bond_style,"nonlinear") == 0) {
+ for (int i = 1; i <= nbondtypes; i++)
+ fprintf(fp,"%d %g %g %g\n",i,
+ bond_nonlinear_epsilon[i],bond_nonlinear_r0[i],
+ bond_nonlinear_lamda[i]);
+ }
+ }
+
+ if (angle_style) {
+ double PI = 3.1415926; // convert back to degrees
+
+ if (strcmp(angle_style,"none") != 0)
+ fprintf(fp,"\nAngle Coeffs\n\n");
+
+ if (strcmp(angle_style,"charmm") == 0) {
+ for (int i = 1; i <= nangletypes; i++)
+ fprintf(fp,"%d %g %g %g %g\n",i,
+ angle_charmm_k[i],angle_charmm_theta0[i]/PI*180.0,
+ angle_charmm_k_ub[i],angle_charmm_r_ub[i]);
+
+ } if (strcmp(angle_style,"class2") == 0) {
+ for (int i = 1; i <= nangletypes; i++)
+ fprintf(fp,"%d %g %g %g %g\n",i,
+ angle_class2_theta0[i]/PI*180.0,angle_class2_k2[i],
+ angle_class2_k3[i],angle_class2_k4[i]);
+
+ fprintf(fp,"\nBondBond Coeffs\n\n");
+ for (int i = 1; i <= nangletypes; i++)
+ fprintf(fp,"%d %g %g %g\n",i,
+ angle_class2_bb_k[i],
+ angle_class2_bb_r1[i],angle_class2_bb_r2[i]);
+
+ fprintf(fp,"\nBondAngle Coeffs\n\n");
+ for (int i = 1; i <= nangletypes; i++)
+ fprintf(fp,"%d %g %g %g %g\n",i,
+ angle_class2_ba_k1[i],angle_class2_ba_k2[i],
+ angle_class2_ba_r1[i],angle_class2_ba_r2[i]);
+
+ } else if (strcmp(angle_style,"cosine") == 0) {
+ for (int i = 1; i <= nangletypes; i++)
+ fprintf(fp,"%d %g\n",i,
+ angle_cosine_k[i]);
+
+ } if (strcmp(angle_style,"harmonic") == 0) {
+ for (int i = 1; i <= nangletypes; i++)
+ fprintf(fp,"%d %g %g\n",i,
+ angle_harmonic_k[i],angle_harmonic_theta0[i]/PI*180.0);
+ }
+ }
+
+ if (dihedral_style) {
+ double PI = 3.1415926; // convert back to degrees
+
+ if (strcmp(dihedral_style,"none") != 0)
+ fprintf(fp,"\nDihedral Coeffs\n\n");
+
+ if (strcmp(dihedral_style,"charmm") == 0) {
+ for (int i = 1; i <= ndihedraltypes; i++)
+ fprintf(fp,"%d %g %d %d %g\n",i,
+ dihedral_charmm_k[i],dihedral_charmm_multiplicity[i],
+ dihedral_charmm_sign[i],dihedral_charmm_weight[i]);
+
+ } else if (strcmp(dihedral_style,"class2") == 0) {
+ for (int i = 1; i <= ndihedraltypes; i++)
+ fprintf(fp,"%d %g %g %g %g %g %g\n",i,
+ dihedral_class2_k1[i],dihedral_class2_k2[i],
+ dihedral_class2_k3[i],
+ dihedral_class2_phi1[i]/PI*180.0,
+ dihedral_class2_phi2[i]/PI*180.0,
+ dihedral_class2_phi3[i]/PI*180.0);
+
+ fprintf(fp,"\nMiddleBondTorsion Coeffs\n\n");
+ for (int i = 1; i <= ndihedraltypes; i++)
+ fprintf(fp,"%d %g %g %g %g\n",i,
+ dihedral_class2_mbt_f1[i],dihedral_class2_mbt_f2[i],
+ dihedral_class2_mbt_f3[i],dihedral_class2_mbt_r0[i]);
+
+ fprintf(fp,"\nEndBondTorsion Coeffs\n\n");
+ for (int i = 1; i <= ndihedraltypes; i++)
+ fprintf(fp,"%d %g %g %g %g %g %g %g %g\n",i,
+ dihedral_class2_ebt_f1_1[i],dihedral_class2_ebt_f2_1[i],
+ dihedral_class2_ebt_f3_1[i],dihedral_class2_ebt_r0_1[i],
+ dihedral_class2_ebt_f1_2[i],dihedral_class2_ebt_f2_2[i],
+ dihedral_class2_ebt_f3_2[i],dihedral_class2_ebt_r0_2[i]);
+
+ fprintf(fp,"\nAngleTorsion Coeffs\n\n");
+ for (int i = 1; i <= ndihedraltypes; i++)
+ fprintf(fp,"%d %g %g %g %g %g %g %g %g\n",i,
+ dihedral_class2_at_f1_1[i],dihedral_class2_at_f2_1[i],
+ dihedral_class2_at_f3_1[i],
+ dihedral_class2_at_theta0_1[i]/PI*180.0,
+ dihedral_class2_at_f1_2[i],dihedral_class2_at_f2_2[i],
+ dihedral_class2_at_f3_2[i],
+ dihedral_class2_at_theta0_2[i]/PI*180.0);
+
+ fprintf(fp,"\nAngleAngleTorsion Coeffs\n\n");
+ for (int i = 1; i <= ndihedraltypes; i++)
+ fprintf(fp,"%d %g %g %g\n",i,
+ dihedral_class2_aat_k[i],
+ dihedral_class2_aat_theta0_1[i]/PI*180.0,
+ dihedral_class2_aat_theta0_2[i]/PI*180.0);
+
+ fprintf(fp,"\nBondBond13 Coeffs\n\n");
+ for (int i = 1; i <= ndihedraltypes; i++)
+ fprintf(fp,"%d %g %g %g\n",i,
+ dihedral_class2_bb13_k[i],
+ dihedral_class2_bb13_r10[i],dihedral_class2_bb13_r30[i]);
+
+ } else if (strcmp(dihedral_style,"harmonic") == 0) {
+ for (int i = 1; i <= ndihedraltypes; i++)
+ fprintf(fp,"%d %g %d %d\n",i,
+ dihedral_harmonic_k[i],dihedral_harmonic_multiplicity[i],
+ dihedral_harmonic_sign[i]);
+
+ } else if (strcmp(dihedral_style,"multi/harmonic") == 0) {
+ for (int i = 1; i <= ndihedraltypes; i++)
+ fprintf(fp,"%d %g %g %g %g %g\n",i,
+ dihedral_multi_a1[i],dihedral_multi_a2[i],
+ dihedral_multi_a3[i],dihedral_multi_a4[i],
+ dihedral_multi_a5[i]);
+ }
+ }
+
+ if (improper_style) {
+ double PI = 3.1415926; // convert back to degrees
+
+ if (strcmp(improper_style,"none") != 0)
+ fprintf(fp,"\nImproper Coeffs\n\n");
+
+ if (strcmp(improper_style,"class2") == 0) {
+ for (int i = 1; i <= nimpropertypes; i++)
+ fprintf(fp,"%d %g %g\n",i,
+ improper_class2_k0[i],improper_class2_chi0[i]/PI*180.0);
+
+ fprintf(fp,"\nAngleAngle Coeffs\n\n");
+ for (int i = 1; i <= nimpropertypes; i++)
+ fprintf(fp,"%d %g %g %g %g %g %g\n",i,
+ improper_class2_aa_k1[i],improper_class2_aa_k2[i],
+ improper_class2_aa_k3[i],
+ improper_class2_aa_theta0_1[i]/PI*180.0,
+ improper_class2_aa_theta0_2[i]/PI*180.0,
+ improper_class2_aa_theta0_3[i]/PI*180.0);
+
+ } else if (strcmp(improper_style,"cvff") == 0) {
+ for (int i = 1; i <= nimpropertypes; i++)
+ fprintf(fp,"%d %g %d %d\n",i,
+ improper_cvff_k[i],improper_cvff_sign[i],
+ improper_cvff_multiplicity[i]);
+
+ } else if (strcmp(improper_style,"harmonic") == 0) {
+ for (int i = 1; i <= nimpropertypes; i++)
+ fprintf(fp,"%d %g %g\n",i,
+ improper_harmonic_k[i],improper_harmonic_chi[i]/PI*180.0);
+ }
+ }
+
+ if (natoms) {
+ fprintf(fp,"\nAtoms\n\n");
+
+ int ix,iy,iz;
+ for (int i = 0; i < natoms; i++) {
+ ix = image[i]%1000 - 500;
+ iy = (image[i]/1000)%1000 - 500;
+ iz = image[i]/1000000 - 500;
+
+ fprintf(fp,"%d",tag[i]);
+ if (molecular) fprintf(fp," %d",molecule[i]);
+ fprintf(fp," %d",type[i]);
+ if (charge_allow) fprintf(fp," %g",q[i]);
+ if (style_granular) fprintf(fp," %g %g",2.0*radius[i],density[i]);
+ fprintf(fp," %g %g %g",x[i],y[i],z[i]);
+ if (style_dipole) fprintf(fp," %g %g %g",mux[i],muy[i],muz[i]);
+ fprintf(fp," %d %d %d\n",ix,iy,iz);
+ }
+ }
+
+ if (natoms) {
+ fprintf(fp,"\nVelocities\n\n");
+ for (int i = 0; i < natoms; i++)
+ if (strcmp(atom_style,"granular") == 0)
+ fprintf(fp,"%d %g %g %g %g %g %g\n",tag[i],vx[i],vy[i],vz[i],
+ phivx[i],phivy[i],phivz[i]);
+ else
+ fprintf(fp,"%d %g %g %g\n",tag[i],vx[i],vy[i],vz[i]);
+ }
+
+ if (nbonds) {
+ fprintf(fp,"\nBonds\n\n");
+ for (int i = 0; i < nbonds; i++)
+ fprintf(fp,"%d %d %d %d\n",
+ i+1,bond_type[i],bond_atom1[i],bond_atom2[i]);
+ }
+
+ if (nangles) {
+ fprintf(fp,"\nAngles\n\n");
+ for (int i = 0; i < nangles; i++)
+ fprintf(fp,"%d %d %d %d %d\n",
+ i+1,angle_type[i],angle_atom1[i],angle_atom2[i],angle_atom3[i]);
+ }
+
+ if (ndihedrals) {
+ fprintf(fp,"\nDihedrals\n\n");
+ for (int i = 0; i < ndihedrals; i++)
+ fprintf(fp,"%d %d %d %d %d %d\n",
+ i+1,dihedral_type[i],dihedral_atom1[i],dihedral_atom2[i],
+ dihedral_atom3[i],dihedral_atom4[i]);
+ }
+
+ if (nimpropers) {
+ fprintf(fp,"\nImpropers\n\n");
+ for (int i = 0; i < nimpropers; i++)
+ fprintf(fp,"%d %d %d %d %d %d\n",
+ i+1,improper_type[i],improper_atom1[i],improper_atom2[i],
+ improper_atom3[i],improper_atom4[i]);
+ }
+}
+
+/* read an int from restart file */
+
+int read_int(FILE *fp)
+{
+ int value;
+ fread(&value,sizeof(int),1,fp);
+ return value;
+}
+
+/* read a double from restart file */
+
+double read_double(FILE *fp)
+{
+ double value;
+ fread(&value,sizeof(double),1,fp);
+ return value;
+}
+
+/* read a char str from restart file */
+
+char *read_char(FILE *fp)
+{
+ int n;
+ fread(&n,sizeof(int),1,fp);
+ if (n == 0) return NULL;
+ char *value = new char[n];
+ fread(value,sizeof(char),n,fp);
+ return value;
+}
diff --git a/tools/xmovie/Makefile b/tools/xmovie/Makefile
new file mode 100755
index 0000000000..f87a301d33
--- /dev/null
+++ b/tools/xmovie/Makefile
@@ -0,0 +1,63 @@
+CC = gcc
+LN = gcc
+OPTIM = -O2 -finline-functions -g
+XLIBDIR = -L/usr/X11R6/lib
+XINCLUDE =
+DEFINES = -DMISSINGDEFS -D_POSIX_SOURCE -DUSEPRIVATE -DINCL_FLOAT
+WARNS = -Wimplicit -Wunused -Wmissing-prototypes
+CCOPTS = -c $(OPTIM) $(DEFINES) $(WARNS) $(XINCLUDE)
+LNOPTS = $(OPTIM)
+LIBS = $(XLIBDIR) -lX11 -lXaw #-lXt -lXext -lXmu -lXpm
+
+# try this version on a Mac
+
+#LIBS = $(XLIBDIR) -lX11 -lXaw -lXt -lXext -lXmu -lXpm
+
+OBJS = xmovie.o \
+ control.o \
+ scene.o \
+ read.o \
+ hpsort.o
+
+EXES = xmovie dummy tobinary toascii
+
+.c.o:
+ $(CC) $(CCOPTS) $*.c
+
+xmovie: $(OBJS)
+ $(CC) $(CCOPTS) version.c
+ $(LN) -o xmovie $(LNOPTS) version.o $(OBJS) $(LIBS)
+
+xmovie.o: xmovie.h resource.h xmovie.c
+control.o: xmovie.h control.c
+scene.o: xmovie.h scene.c
+read.o: xmovie.h read.c
+hpsort.o: hpsort.c
+
+clean:
+ rm -f *.o *~ $(EXES)
+
+tar:
+ tar cvf xmovie.tar Makefile *.c *.h
+ compress xmovie.tar
+ uuencode xmovie.tar.Z xmovie.tar.Z > xmovie.tar.Z.uu
+
+clean_obj:
+ rm -f *.o
+
+all: $(EXES)
+
+dummy: dummy.o
+ $(LN) $(LNOPTS) -o dummy dummy.o -lm
+
+dummy.o: dummy.c
+
+toascii: toascii.o
+ $(LN) $(LNOPTS) -o toascii toascii.o
+
+toascii.o: toascii.c
+
+tobinary: tobinary.o
+ $(LN) $(LNOPTS) -o tobinary tobinary.o
+
+tobinary.o: tobinary.c
diff --git a/tools/xmovie/README b/tools/xmovie/README
new file mode 100644
index 0000000000..1b9084dccb
--- /dev/null
+++ b/tools/xmovie/README
@@ -0,0 +1,51 @@
+Xmovie is an X-based visualization package that can reads particle
+data in a simple text format. LAMMPS output files are in this format
+(by default). Xmovie displays 2d projections of 3d (or 2d) data sets.
+While simple, it is extremely fast, and often useful for debugging.
+
+Xmovie was written by Mike Uttormark, while visiting Sandia, in the
+summer of 1994. Subsequent small changes have been made by Steve
+Plimpton.
+
+To make xmovie for your platform, edit the top section of the Makefile
+appropriately for your machine. You will need to point at the correct
+X libraries for xmovie to compile and link properly.
+
+Once you have an xmovie executable you can test it by typing:
+
+xmovie dummy.dat
+
+A control window and a display window should pop open. Move the
+"thickness" slider all the way to the right and click "Start". You
+should see a small white ball oscillate back and forth in the display.
+
+The examples directory in the LAMMPS distribution has several
+simulations that can be run with LAMMPS to produce dump.* files that
+you can use xmovie to visualize. The Movies page of the LAMMPS WWW
+Site has animations of these simulations that were produced by
+converting saved xmovie snapshots to MPEG files (via ImageMagick's
+convert program). Note that LAMMPS output is scaled by default (so
+all coordinates are from 0 to 1). Thus you need to run xmovie like
+this:
+
+xmovie -scale dump.*
+
+to see the snapshot you expect.
+
+The xmovie control window options should be self-explanatory. You are
+always viewing a 2d projection of your 2d or 3d snapshot; the
+"position" and "thickness" sliders control the range of the slab of
+atoms being projected. You will not always see a snapshot when xmovie
+begins, unless you push the "thickness" slider to the right.
+
+Type xmovie to see a list of command-line options and info on file
+formats.
+
+---------------------------------------------------------------
+
+If the xpm.h file is not on a system, it must be downloaded from
+somewhere
+
+Needed to build on IBM cheetah at ORNL:
+#include </apps/xpm/3.4k/rs_aix51/include/X11/xpm.h>
+
diff --git a/tools/xmovie/Xdefaults b/tools/xmovie/Xdefaults
new file mode 100755
index 0000000000..a0b536a7fc
--- /dev/null
+++ b/tools/xmovie/Xdefaults
@@ -0,0 +1,51 @@
+! Resources that users may want to change.
+! Add these lines to your .Xdefaults file or
+! merge them using xrdb -merge
+!
+
+!
+! colors used for drawing atoms
+!
+
+#ifdef COLOR
+
+XMovie.*.scene.*.foreground: red
+XMovie.*.scene.*.background: black
+XMovie.*.scene.width: 600
+XMovie.*.scene.height: 600
+
+#else
+
+XMovie.*.scene.*.foreground: black
+XMovie.*.scene.*.background: white
+
+#endif
+
+!
+! Default slider positions (0.0 -> 1.0)
+!
+
+XMovie.*.speedbar.topOfThumb: 1.0
+XMovie.*.positionbar.topOfThumb: 0.50
+XMovie.*.thicknessbar.topOfThumb: 1.0
+
+!
+! Default viewing axis
+! set only one, or chaos will surely ensue.
+! need to turn z off before turning others on
+!
+
+! XMovie.*.z.state: False
+! XMovie.*.y.state: True
+
+! XMovie.*.x.state: True
+! XMovie.*.z.state: True
+
+!
+! Default viewing direction
+! again, set only one.
+! turn vminus off before turning vplus on
+!
+
+! XMovie.*.vminus.state: False
+! XMovie.*.vplus.state: True
diff --git a/tools/xmovie/control.c b/tools/xmovie/control.c
new file mode 100755
index 0000000000..dfa0781620
--- /dev/null
+++ b/tools/xmovie/control.c
@@ -0,0 +1,1340 @@
+/* **************************************************************** */
+/* functions to handle control panel (sliders, labels, etc.) */
+
+#include <stdio.h>
+#include <stdlib.h>
+
+#include <X11/Intrinsic.h>
+#include <X11/StringDefs.h>
+#include <X11/Shell.h>
+#include <X11/Xos.h>
+
+#include <X11/Xaw/Cardinals.h>
+
+#include <X11/Xaw/Box.h>
+#include <X11/Xaw/Command.h>
+#include <X11/Xaw/Dialog.h>
+#include <X11/Xaw/Form.h>
+#include <X11/Xaw/Label.h>
+#include <X11/Xaw/MenuButton.h>
+#include <X11/Xaw/Scrollbar.h>
+#include <X11/Xaw/SimpleMenu.h>
+#include <X11/Xaw/Sme.h>
+#include <X11/Xaw/SmeBSB.h>
+#include <X11/Xaw/Toggle.h>
+
+#include "xmovie.h"
+
+#define POPUPSHELLCLASS overrideShellWidgetClass
+
+/* **************************************************************** */
+/* local typedefs */
+
+typedef void (*InitFunc)(Widget parent);
+
+typedef struct {
+ char *name;
+ XtCallbackProc exec_func;
+ XtPointer data;
+ InitFunc init_func;
+ } ButtonStruct;
+
+#define NBTN(a) (sizeof(a)/sizeof(ButtonStruct))
+
+typedef struct {
+ char *name;
+ int value;
+ Widget w;
+ } ToggleStruct;
+
+#define TGLCNT(x) (sizeof(x)/sizeof(ToggleStruct))
+
+typedef struct {
+ char *name;
+ XtCallbackProc callback;
+ ToggleStruct *buttons;
+ int nbuttons;
+ Widget lw;
+ } RadioStruct;
+
+typedef struct {
+ char *labelname;
+ Widget *label;
+ char *slidername;
+ Widget *slider;
+ XtCallbackProc callback;
+ } SliderLabelStruct;
+
+typedef struct {
+ Widget *w;
+ XtGrabKind grab;
+ Bool stop_motion;
+ } PopupData;
+
+/* **************************************************************** */
+/* local prototypes */
+
+PRIVATE void SetSpeed(float percent);
+PRIVATE void NewSpeed(Widget w, XtPointer client_data, XtPointer percent);
+PRIVATE void SetPosition(float percent);
+PRIVATE void NewPosition(Widget w, XtPointer client_data, XtPointer percent);
+PRIVATE void SetThickness(float percent);
+PRIVATE void NewThickness(Widget w, XtPointer client_data, XtPointer percent);
+
+PRIVATE void AxisSelect(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void DirectionSelect(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void MotionSelect(Widget w, XtPointer client_data, XtPointer call_data);
+
+PRIVATE void FindAndDisplaySlider(Widget w, XtCallbackProc func);
+
+PRIVATE void DrawAxes(void);
+
+PRIVATE void MakeRadioGroup(Widget parent, RadioStruct *radio);
+PRIVATE void MakeSliderWithLabel(Widget parent, SliderLabelStruct *sl);
+
+PRIVATE void SetRadio(RadioStruct *radio);
+
+PRIVATE void do_start(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void do_stop(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void do_restart(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void do_step(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void do_back(Widget w, XtPointer client_data, XtPointer call_data);
+
+PRIVATE void do_save_off(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void do_save_on(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void do_save_one(Widget w, XtPointer client_data, XtPointer call_data);
+
+PRIVATE void do_popup(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void cancel_popup(Widget w, XtPointer client_data, XtPointer call_data);
+
+PRIVATE void init_quit(Widget w);
+PRIVATE void quit_ok(Widget w, XtPointer client_data, XtPointer call_data);
+
+PRIVATE void init_atoms(Widget w);
+PRIVATE void init_bonds(Widget w);
+PRIVATE void init_bg(Widget w);
+PRIVATE void init_file(Widget w);
+
+PRIVATE void color_apply(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void bond_apply(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void bg_apply(Widget w, XtPointer client_data, XtPointer call_data);
+PRIVATE void file_apply(Widget w, XtPointer client_data, XtPointer call_data);
+
+PRIVATE Pixel ConvertColorToPixel(Widget w, String color);
+PRIVATE XtActionProc NoOp(Widget w, XEvent event, String *params,
+ Cardinal nparams);
+
+PRIVATE void visible_toggle(Widget w, XtPointer client_data, XtPointer
+ call_data);
+
+PRIVATE void bvisible_toggle(Widget w, XtPointer client_data, XtPointer
+ call_data);
+
+/* **************************************************************** */
+/* local data */
+
+static Widget QuitPopup = (Widget) 0,
+ AtomPopup = (Widget) 0,
+ BondPopup = (Widget) 0,
+ BackgroundPopup = (Widget) 0,
+ FileColorPopup = (Widget) 0,
+ TimeLabel = (Widget) 0,
+ SpeedBar = (Widget) 0,
+ SpeedLabel = (Widget) 0,
+ PositionBar = (Widget) 0,
+ PositionLabel = (Widget) 0,
+ ThicknessBar = (Widget) 0,
+ ThicknessLabel = (Widget) 0,
+ Axes = (Widget) 0,
+ ReadInfo = (Widget) 0;
+
+static Widget BGDialog = (Widget) 0,
+ FileDialog = (Widget) 0,
+ *FGDialog = (Widget *) NULL,
+ *Visible = (Widget *) NULL,
+ *Invisible = (Widget *) NULL,
+ *SizeDialog = (Widget *) NULL,
+ *BFGDialog = (Widget *) NULL,
+ *BVisible = (Widget *) NULL,
+ *BInvisible = (Widget *) NULL,
+ *ThicknessDialog= (Widget *) NULL;
+
+static PopupData
+ QuitData = { &QuitPopup, XtGrabExclusive, True},
+ AtomData = { &AtomPopup, XtGrabNone, False },
+ BondData = { &BondPopup, XtGrabNone, False },
+ BackgroundData = { &BackgroundPopup, XtGrabNone, False },
+ FileColorData = { &FileColorPopup, XtGrabNone, False };
+
+static ButtonStruct Buttons[] = {
+ { "quit", do_popup, (XtPointer) &QuitData, init_quit },
+ { "start", do_start, NULL, NULL },
+ { "stop", do_stop, NULL, NULL },
+ { "restart", do_restart, NULL, NULL },
+ { "step", do_step, NULL, NULL },
+ { "back", do_back, NULL, NULL },
+ };
+
+static ButtonStruct SaveButtons[] = {
+ { "Off while animating", do_save_off, NULL, NULL },
+ { "On while animating", do_save_on , NULL, NULL },
+ { "This snapshot", do_save_one, NULL, NULL },
+ };
+
+static ButtonStruct ColorButtons[] = {
+ { "atoms", do_popup, (XtPointer) &AtomData, init_atoms },
+ { "bonds", do_popup, (XtPointer) &BondData, init_bonds },
+ { "background", do_popup, (XtPointer) &BackgroundData, init_bg },
+ { "filecolor", do_popup, (XtPointer) &FileColorData, init_file }
+ };
+
+static int in_motion;
+
+static SliderLabelStruct
+ SpeedSL = {
+ "speed", &SpeedLabel,
+ "speedbar", &SpeedBar,
+ NewSpeed },
+ PositionSL = {
+ "position", &PositionLabel,
+ "positionbar", &PositionBar,
+ NewPosition },
+ ThicknessSL = {
+ "thickness", &ThicknessLabel,
+ "thicknessbar", &ThicknessBar,
+ NewThickness }
+ ;
+
+static ToggleStruct
+ AxisButtons[] = {
+ { "x", 0 },
+ { "y", 1 },
+ { "z", 2 } },
+ DirectionButtons[] = {
+ { "vplus", 1 },
+ { "vminus", 0 } },
+ MotionButtons[] = {
+ { "mplus", 1 },
+ { "mminus", -1 } }
+ ;
+
+static RadioStruct
+ AxisRadio = {
+ "axis",
+ AxisSelect,
+ AxisButtons,
+ TGLCNT(AxisButtons) },
+ DirectionRadio = {
+ "viewdir",
+ DirectionSelect,
+ DirectionButtons,
+ TGLCNT(DirectionButtons) },
+ MotionRadio = {
+ "motiondir",
+ MotionSelect,
+ MotionButtons,
+ TGLCNT(MotionButtons) }
+ ;
+
+static int normal = 1;
+static char *null_string = "";
+
+static XtActionsRec actions[] = {
+ { "NoOp", (XtActionProc) NoOp},
+ };
+
+/* **************************************************************** */
+
+Widget CreateControl(Widget parent, char *name)
+{
+ Widget form, command, button, menu;
+ ButtonStruct *bptr;
+ int bcnt;
+
+ /* register the new actions */
+
+ XtAppAddActions(XtWidgetToApplicationContext(parent),
+ actions, XtNumber(actions));
+
+ /* create a form widget to handle layout */
+
+ form = XtCreateManagedWidget(name, formWidgetClass, parent,
+ NULL, ZERO);
+
+ /* create all the command buttons */
+
+ for(bcnt = NBTN(Buttons), bptr = Buttons;bcnt > 0; bcnt--, bptr++){
+
+ /* create a button */
+
+ command = XtCreateManagedWidget(bptr->name,
+ commandWidgetClass, form, NULL, ZERO);
+
+ /* Add the function as a callback */
+
+ XtAddCallback(command, XtNcallback, bptr->exec_func,
+ bptr->data);
+
+ /* call initialization routine */
+
+ if (bptr->init_func) (bptr->init_func)(command);
+
+ }
+
+ /* create the save menu */
+
+ command = XtCreateManagedWidget("save", menuButtonWidgetClass,
+ form, NULL, ZERO);
+
+ menu = XtCreatePopupShell("menu", simpleMenuWidgetClass,
+ command, NULL, ZERO);
+
+ for(bcnt=NBTN(SaveButtons), bptr=SaveButtons; bcnt>0; bcnt--,bptr++){
+ button = XtCreateManagedWidget(bptr->name, smeBSBObjectClass,
+ menu, NULL, ZERO);
+ XtAddCallback(button, XtNcallback, bptr->exec_func,bptr->data);
+ if (bptr->init_func) (bptr->init_func)(button);
+ }
+
+ /* create the color menu */
+
+ command = XtCreateManagedWidget("color", menuButtonWidgetClass,
+ form, NULL, ZERO);
+
+ menu = XtCreatePopupShell("menu", simpleMenuWidgetClass,
+ command, NULL, ZERO);
+
+ for(bcnt=NBTN(ColorButtons), bptr=ColorButtons; bcnt>0; bcnt--,bptr++){
+ button = XtCreateManagedWidget(bptr->name, smeBSBObjectClass,
+ menu, NULL, ZERO);
+ XtAddCallback(button, XtNcallback, bptr->exec_func,bptr->data);
+ if (bptr->init_func) (bptr->init_func)(button);
+ }
+
+ /* create a label widget to display time */
+
+ TimeLabel = XtCreateManagedWidget("time", labelWidgetClass,
+ form, NULL, ZERO);
+
+ SetTime("Time: 0");
+
+ /* ************************************************ */
+ /* create all the sliders */
+ /* ************************************************ */
+
+
+ MakeSliderWithLabel(form, &SpeedSL);
+ MakeSliderWithLabel(form, &PositionSL);
+ MakeSliderWithLabel(form, &ThicknessSL);
+
+ /* ******************************************************** */
+ /* create a radio group for axis, view, motion directions */
+ /* ******************************************************** */
+
+ MakeRadioGroup(form, &AxisRadio);
+ MakeRadioGroup(form, &DirectionRadio);
+ MakeRadioGroup(form, &MotionRadio);
+
+ /* create a label widget to put axes in */
+
+ /* SJP - 10/02, had to add last NULL argument to each call */
+
+ Axes = XtVaCreateManagedWidget("axes", labelWidgetClass, form,
+ XtNlabel, null_string,NULL);
+
+ ReadInfo = XtVaCreateManagedWidget("read", labelWidgetClass,
+ form, XtNlabel, null_string,NULL);
+
+}
+
+PRIVATE XtActionProc NoOp(Widget w, XEvent event, String *params,
+ Cardinal nparams)
+{
+ return;
+}
+
+void SetTime(char *s)
+{
+ XtVaSetValues(TimeLabel, XtNlabel, s, NULL);
+}
+
+PRIVATE void SetSpeed(float percent)
+{
+ char string[40];
+ int speed;
+
+ speed = percent * 100;
+ (void) sprintf(string,"Speed: %i", speed);
+
+ XtVaSetValues(SpeedLabel, XtNlabel, string, NULL);
+}
+
+PRIVATE void NewSpeed(Widget w, XtPointer client_data, XtPointer percent_ptr)
+{
+ float percent;
+
+ percent = * (float *) percent_ptr;
+
+ /* delay between frames in milliseconds */
+
+ Common.delay = 30 + 10.0/(0.01 + percent);
+
+ SetSpeed(percent);
+}
+
+PRIVATE void SetPosition(float position)
+{
+ char string[40];
+
+ static char *axis[] = { "X", "Y", "Z" };
+
+ (void) sprintf(string,"%s Position: %6.3f", axis[Common.axis],
+ position);
+
+ XtVaSetValues(PositionLabel, XtNlabel, string, NULL);
+}
+
+PRIVATE void NewPosition(Widget w, XtPointer client_data, XtPointer percent_ptr)
+{
+ float percent;
+ int i;
+ float old_pos;
+
+ percent = * (float *) percent_ptr;
+
+ i = Common.axis;
+
+ old_pos = Common.position;
+
+ Common.position =
+ (Common.bounds[i].high - Common.bounds[i].low) * percent +
+ Common.bounds[i].low;
+
+ SetPosition(Common.position);
+
+ if (Common.position == old_pos) return;
+
+ if (normal) SceneUpdate();
+}
+
+PRIVATE void SetThickness(float thickness)
+{
+ char string[40];
+
+ (void) sprintf(string,"Thickness: %6.3f", thickness);
+
+ XtVaSetValues(ThicknessLabel, XtNlabel, string, NULL);
+}
+
+PRIVATE void NewThickness(Widget w, XtPointer client_data, XtPointer percent_ptr)
+{
+ float percent;
+ int i;
+ float old_thick;
+
+ percent = * (float *) percent_ptr;
+ i = Common.axis;
+
+ old_thick = Common.thickness;
+ Common.thickness =
+ (Common.bounds[i].high - Common.bounds[i].low) * percent;
+
+ if (old_thick == Common.thickness) return;
+
+ SetThickness(Common.thickness);
+
+ if (normal) SceneUpdate();
+}
+
+/* **************************************************************** */
+
+PRIVATE void AxisSelect(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ int new_axis;
+
+ new_axis = (int) client_data;
+
+ if (new_axis == Common.axis) return;
+
+ Common.axis = new_axis;
+
+ DrawAxes();
+
+ normal = 0;
+
+ FindAndDisplaySlider(PositionBar, NewPosition);
+ FindAndDisplaySlider(ThicknessBar, NewThickness);
+
+ normal = 1;
+
+ SceneUpdate();
+}
+
+PRIVATE void DirectionSelect(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ int new_dir;
+
+ new_dir = (int) client_data;
+
+ if (new_dir == Common.direction) return;
+
+ Common.direction = new_dir;
+
+ DrawAxes();
+ SceneUpdate();
+}
+
+PRIVATE void MotionSelect(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ int new_dir;
+
+ new_dir = (int) client_data;
+
+ Common.dstep = new_dir;
+}
+
+
+PRIVATE void FindAndDisplaySlider(Widget w, XtCallbackProc func)
+{
+ float percent;
+
+ XtVaGetValues(w, XtNtopOfThumb, &percent, NULL);
+
+ (func)(NULL, NULL, &percent);
+}
+
+void PositionUpdate(void)
+{
+ FindAndDisplaySlider(PositionBar, NewPosition);
+}
+
+void ThicknessUpdate(void)
+{
+ FindAndDisplaySlider(ThicknessBar, NewThickness);
+}
+
+void SpeedUpdate(void)
+{
+ FindAndDisplaySlider(SpeedBar, NewSpeed);
+}
+
+/* **************************************************************** */
+
+typedef struct {
+ int x;
+ int y;
+ char *name;
+ } LABEL;
+
+typedef struct {
+ XSegment lines[6];
+ LABEL labels[2];
+ } AXIS;
+
+static AXIS axis_data[] = {
+ { { { 120, 120, 120, 30 }, { 115, 35, 120, 30 },
+ { 120, 30, 125, 35 }, { 120, 120, 30, 120 },
+ { 35, 125, 30, 120 }, { 30, 120, 35, 115 } },
+ { { 15, 127, "Z" }, { 115, 25, "Y" } },
+ },
+ { { { 20, 20, 20, 110 }, { 15, 105, 20, 110 },
+ { 20, 110, 25, 105 }, { 20, 20, 110, 20 },
+ { 105, 15, 110, 20 }, { 110, 20, 105, 25 } },
+ { { 115, 27, "X" }, { 15, 127, "Z" } },
+ },
+ { { { 20, 120, 20, 30 }, { 15, 35, 20, 30 },
+ { 20, 30, 25, 35 }, { 20, 120, 110, 120 },
+ { 105, 125, 110, 120 }, { 110, 120, 105, 115 } },
+ { { 115, 127, "X" }, { 15, 27, "Y" } },
+ },
+ { { { 20, 120, 20, 30 }, { 15, 35, 20, 30 },
+ { 20, 30, 25, 35 }, { 20, 120, 110, 120 },
+ { 105, 125, 110, 120 }, { 110, 120, 105, 115 } },
+ { { 115, 127, "Z" }, { 15, 27, "Y" } },
+ },
+ { { { 20, 120, 20, 30 }, { 15, 35, 20, 30 },
+ { 20, 30, 25, 35 }, { 20, 120, 110, 120 },
+ { 105, 125, 110, 120 }, { 110, 120, 105, 115 } },
+ { { 115, 127, "X" }, { 15, 27, "Z" } },
+ },
+ { { { 20, 20, 20, 110 }, { 15, 105, 20, 110 },
+ { 20, 110, 25, 105 }, { 20, 20, 110, 20 },
+ { 105, 15, 110, 20 }, { 110, 20, 105, 25 } },
+ { { 115, 27, "X" }, { 15, 127, "Y" } },
+ },
+ };
+
+PRIVATE void DrawAxes(void)
+{
+ static int first = 1;
+ static GC gc;
+ static Dimension height, width;
+ XGCValues xgc;
+ AXIS *a;
+ int i;
+ XFontStruct *font;
+
+ if ( Common.axis < 0 ||
+ Common.direction < 0 ||
+ !Axes ||
+ !XtIsRealized(Axes) ) return;
+
+ if (first) {
+ xgc.function = GXcopy;
+
+ XtVaGetValues(Axes,
+ XtNbackground, &xgc.background,
+ XtNforeground, &xgc.foreground,
+ XtNfont, &font,
+ XtNheight, &height,
+ XtNwidth, &width,
+ NULL );
+
+ xgc.font = font->fid;
+
+ gc = XCreateGC(XtDisplay(Axes), XtWindow(Axes),
+ GCFunction | GCBackground | GCForeground | GCFont,
+ &xgc);
+
+ first = 0;
+ }
+
+ XClearWindow(XtDisplay(Axes), XtWindow(Axes));
+
+ a = axis_data + Common.axis + 3*Common.direction;
+
+ XDrawSegments(XtDisplay(Axes), XtWindow(Axes), gc, a->lines, 6);
+
+ for(i = 0; i < 2; i++)
+ XDrawString(XtDisplay(Axes), XtWindow(Axes), gc,
+ a->labels[i].x, a->labels[i].y,
+ a->labels[i].name,
+ strlen(a->labels[i].name));
+
+}
+void ExposeAxes(Widget w, XEvent *event, String *strings, Cardinal *nstrings)
+{
+ DrawAxes();
+}
+
+
+/* **************************************************************** */
+
+PRIVATE void MakeRadioGroup(Widget parent, RadioStruct *radio)
+{
+ ToggleStruct *t;
+ int i;
+
+ if (radio->name)
+ radio->lw = XtCreateManagedWidget(radio->name,
+ labelWidgetClass, parent , NULL, ZERO );
+
+ for(t = radio->buttons, i = radio->nbuttons; i; i--, t++) {
+ t->w = XtCreateManagedWidget(t->name, toggleWidgetClass,
+ parent, NULL, ZERO);
+ XtAddCallback(t->w, XtNcallback, radio->callback,
+ (XtPointer) t->value);
+ }
+
+}
+
+/* **************************************************************** */
+
+PRIVATE void MakeSliderWithLabel(Widget parent, SliderLabelStruct *sl)
+{
+ /* create the slider */
+
+ *(sl->slider) = XtCreateManagedWidget(sl->slidername,
+ scrollbarWidgetClass, parent, NULL, ZERO);
+
+ /* add the callback */
+
+ XtAddCallback(*(sl->slider), XtNjumpProc, sl->callback, NULL);
+
+ /* create the label */
+
+ *(sl->label) = XtCreateManagedWidget(sl->labelname,
+ labelWidgetClass, parent, NULL, ZERO);
+
+ /* Initialize the display */
+
+ FindAndDisplaySlider(*(sl->slider), sl->callback);
+}
+
+
+void UpdateRadios(void)
+{
+ SetRadio(&AxisRadio);
+ SetRadio(&DirectionRadio);
+ SetRadio(&MotionRadio);
+}
+
+PRIVATE void SetRadio(RadioStruct *radio)
+{
+ ToggleStruct *t;
+ int i;
+ char set_name[80], *rg;
+
+ t = radio->buttons;
+
+ /* find out which toggle is currently set */
+ strcpy(set_name, (char *) XawToggleGetCurrent(t->w));
+
+ for(i = radio->nbuttons; i; i--, t++)
+ if (!strcmp(set_name, t->name)) goto found_set;
+
+ t = radio->buttons;
+
+ XtVaGetValues(t->w, XtNradioGroup, &rg, NULL);
+ fprintf(stderr,"Error: radioData for radioGroup %s inconsistent.\n",
+ rg);
+ XtDestroyApplicationContext(XtWidgetToApplicationContext(TopLevel));
+ exit(0);
+
+ found_set:
+
+ /* call the callback with the proper data */
+
+ (radio->callback)((Widget) t->w, (XtPointer) t->value, (XtPointer) 0);
+}
+
+void SetReadString(char *s)
+{
+ if (ReadInfo == (Widget) 0) return;
+
+ XtVaSetValues(ReadInfo, XtNlabel, s, NULL);
+}
+
+/* **************************************************************** */
+
+PRIVATE void init_quit(Widget parent)
+{
+ Widget dialog;
+
+ /* create a popup shell */
+
+ QuitPopup = XtCreatePopupShell("popup", POPUPSHELLCLASS,
+ parent, NULL, ZERO);
+
+ /* put a dialog box in it */
+
+ dialog = XtCreateManagedWidget("dialog", dialogWidgetClass,
+ QuitPopup, NULL, ZERO);
+
+ XawDialogAddButton(dialog, "ok", quit_ok, (XtPointer) dialog);
+ XawDialogAddButton(dialog, "cancel", cancel_popup,
+ (XtPointer) &QuitData);
+
+}
+
+/* **************************************************************** */
+
+PRIVATE void do_popup(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ Position x, y;
+ PopupData *pdata;
+
+ pdata = (PopupData *) client_data;
+
+ /* stop motion for now */
+
+ if (pdata->stop_motion) {
+ in_motion = Common.motion;
+ RemoveMotion();
+ }
+
+ /* translate to corner of calling widgets window */
+
+ XtTranslateCoords(w, 0, 0, &x, &y);
+
+ /* Set us to pop up there */
+
+ XtVaSetValues(*(pdata->w), XtNx, x, XtNy, y, NULL);
+
+ /* do the popping */
+
+ XtPopup(*(pdata->w), pdata->grab);
+}
+
+
+PRIVATE void quit_ok(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ XtDestroyApplicationContext(XtWidgetToApplicationContext(w));
+ exit(0);
+}
+
+PRIVATE void cancel_popup(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ PopupData *pdata;
+
+ pdata = (PopupData *) client_data;
+
+ if (pdata->stop_motion && in_motion) InstallMotion();
+
+ XtPopdown(*(pdata->w));
+}
+
+/* **************************************************************** */
+
+PRIVATE void do_start(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ InstallMotion();
+}
+
+PRIVATE void do_stop(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ RemoveMotion();
+}
+
+PRIVATE void do_restart(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ RemoveMotion();
+
+ if (Common.dstep > 0)
+ Common.step = 0;
+ else
+ Common.step = Common.ndata-1;
+
+ InstallMotion();
+}
+
+PRIVATE void do_step(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ RemoveMotion();
+
+ Common.step = CoerceStep(Common.step + 1);
+
+ SceneUpdate();
+}
+
+PRIVATE void do_back(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ RemoveMotion();
+
+ Common.step = CoerceStep(Common.step - 1);
+
+ SceneUpdate();
+}
+
+PRIVATE void do_save_off(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ Common.saveflag = 0;
+}
+
+PRIVATE void do_save_on(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ Common.saveflag = 1;
+}
+
+PRIVATE void do_save_one(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ SceneSave();
+}
+
+/* **************************************************************** */
+
+PRIVATE void init_atoms(Widget parent)
+{
+ Widget outerform, form;
+ Widget apply, cancel, last;
+ char formname[80], fglabel[80], sizelabel[80];
+ char fgname[80], sizename[80], vname[80], iname[80];
+ int i, j;
+ size_t size;
+
+ /* create a popup shell for atom colors */
+
+ AtomPopup = XtCreatePopupShell("atomcolors",
+ transientShellWidgetClass, TopLevel, NULL, ZERO);
+
+ /* put a form widget in it for layout */
+
+ outerform = XtCreateManagedWidget("form", formWidgetClass, AtomPopup,
+ NULL, ZERO);
+
+ /* add the buttons */
+
+ apply = XtCreateManagedWidget("apply", commandWidgetClass,
+ outerform, NULL, ZERO);
+ XtAddCallback(apply, XtNcallback, color_apply,
+ (XtPointer) NULL);
+
+ cancel = XtVaCreateManagedWidget("cancel", commandWidgetClass,
+ outerform, XtNfromHoriz, apply, NULL);
+ XtAddCallback(cancel, XtNcallback, cancel_popup,
+ (XtPointer) &AtomData);
+
+ /* put the dialog boxes in it for the colors */
+
+ /* ************************************************ */
+ /* allocate all the widgets */
+ /* ************************************************ */
+
+ size = Common.natomcolors * sizeof(Widget);
+
+ FGDialog = (Widget *) XtMalloc(size);
+ SizeDialog = (Widget *) XtMalloc(size);
+ Visible = (Widget *) XtMalloc(size);
+ Invisible = (Widget *) XtMalloc(size);
+
+ /* ************************************************ */
+ /* build the rest of the panel */
+ /* ************************************************ */
+
+ last = apply;
+
+ for(i = 0; i < Common.natomcolors; i++) {
+ j = i+1;
+
+ sprintf(formname, "colorform%i", j);
+ sprintf(fgname, "color%i", j);
+ sprintf(fglabel, "Type %i Color", j);
+ sprintf(sizename, "size%i", j);
+ sprintf(sizelabel, "Type %i Diameter", j);
+ sprintf(vname, "visible%i", j);
+ sprintf(iname, "invisible%i", j);
+
+ form = XtVaCreateManagedWidget(formname, formWidgetClass,
+ outerform, XtNfromVert, last, NULL);
+
+ FGDialog[i] = XtVaCreateManagedWidget(fgname,
+ dialogWidgetClass, form, XtNlabel, fglabel,
+ XtNvalue, "white", NULL);
+
+ SizeDialog[i] = XtVaCreateManagedWidget(sizename,
+ dialogWidgetClass, form, XtNlabel, sizelabel,
+ XtNvalue, "10", XtNfromHoriz, FGDialog[i], NULL);
+
+ Visible[i] = XtVaCreateManagedWidget(vname,
+ toggleWidgetClass, form, XtNlabel, "Visible",
+ XtNstate, True, XtNfromVert, FGDialog[i], NULL);
+
+ Invisible[i] = XtVaCreateManagedWidget(iname,
+ toggleWidgetClass, form, XtNlabel, "Invisible",
+ XtNstate, False, XtNradioGroup, Visible[i],
+ XtNfromHoriz, Visible[i], XtNfromVert, FGDialog[i],
+ NULL);
+
+ XtAddCallback(Visible[i], XtNcallback, visible_toggle,
+ (XtPointer) i);
+
+ XtAddCallback(Invisible[i], XtNcallback, visible_toggle,
+ (XtPointer) i);
+
+ Common.atoms_visible[i] = True;
+ Common.diameter[i] = 10;
+ last = form;
+ }
+}
+
+/* **************************************************************** */
+
+PRIVATE void init_bg(Widget parent)
+{
+ Widget outerform;
+ Widget apply, cancel;
+
+ /* create a popup shell for background color */
+
+ BackgroundPopup = XtCreatePopupShell("backcolors",
+ transientShellWidgetClass, TopLevel, NULL, ZERO);
+
+ /* put a form widget in it for layout */
+
+ outerform = XtCreateManagedWidget("form", formWidgetClass,
+ BackgroundPopup, NULL, ZERO);
+
+ /* add the buttons */
+
+ apply = XtCreateManagedWidget("apply", commandWidgetClass,
+ outerform, NULL, ZERO);
+ XtAddCallback(apply, XtNcallback, bg_apply, (XtPointer) NULL);
+
+ cancel = XtVaCreateManagedWidget("cancel", commandWidgetClass,
+ outerform, XtNfromHoriz, apply, NULL);
+ XtAddCallback(cancel, XtNcallback, cancel_popup,
+ (XtPointer) &BackgroundData);
+
+ /* put the dialog box in it for the color */
+
+ BGDialog = XtVaCreateManagedWidget("bg", dialogWidgetClass,
+ outerform, XtNfromVert, apply, NULL);
+}
+
+/* **************************************************************** */
+
+PRIVATE void init_file(Widget parent)
+{
+ Widget outerform;
+ Widget apply, cancel;
+
+ /* create a popup shell for color file */
+
+ FileColorPopup = XtCreatePopupShell("filecolors",
+ transientShellWidgetClass, TopLevel, NULL, ZERO);
+
+ /* put a form widget in it for layout */
+
+ outerform = XtCreateManagedWidget("form", formWidgetClass,
+ FileColorPopup, NULL, ZERO);
+
+ /* add the buttons */
+
+ apply = XtCreateManagedWidget("apply", commandWidgetClass,
+ outerform, NULL, ZERO);
+ XtAddCallback(apply, XtNcallback, file_apply, (XtPointer) NULL);
+
+ cancel = XtVaCreateManagedWidget("cancel", commandWidgetClass,
+ outerform, XtNfromHoriz, apply, NULL);
+ XtAddCallback(cancel, XtNcallback, cancel_popup,
+ (XtPointer) &FileColorData);
+
+ /* put the dialog box in it for the filename */
+
+ FileDialog = XtVaCreateManagedWidget("file", dialogWidgetClass,
+ outerform, XtNfromVert, apply, NULL);
+}
+
+PRIVATE void init_bonds(Widget parent)
+{
+ Widget outerform, form;
+ Widget apply, cancel, last;
+ char formname[80], fglabel[80], sizelabel[80];
+ char fgname[80], sizename[80], vname[80], iname[80];
+ int i, j;
+ size_t size;
+
+ /* create a popup shell for bond colors */
+
+ BondPopup = XtCreatePopupShell("bondcolors",
+ transientShellWidgetClass,
+ TopLevel, NULL, ZERO);
+
+ /* put a form widget in it for layout */
+
+ outerform = XtCreateManagedWidget("form", formWidgetClass, BondPopup,
+ NULL, ZERO);
+
+ /* add the buttons */
+
+ apply = XtCreateManagedWidget("apply", commandWidgetClass,
+ outerform, NULL, ZERO);
+ XtAddCallback(apply, XtNcallback, bond_apply,
+ (XtPointer) NULL);
+
+ cancel = XtVaCreateManagedWidget("cancel", commandWidgetClass,
+ outerform, XtNfromHoriz, apply, NULL);
+ XtAddCallback(cancel, XtNcallback, cancel_popup,
+ (XtPointer) &BondData);
+
+ /* ************************************************ */
+ /* allocate all the widgets */
+ /* ************************************************ */
+
+ size = Common.nbondcolors * sizeof(Widget);
+
+ BFGDialog = (Widget *) XtMalloc(size);
+ ThicknessDialog = (Widget *) XtMalloc(size);
+ BVisible = (Widget *) XtMalloc(size);
+ BInvisible = (Widget *) XtMalloc(size);
+
+ /* ************************************************ */
+ /* build the rest of the panel */
+ /* ************************************************ */
+
+ last = apply;
+
+ for(i = 0; i < Common.nbondcolors; i++) {
+ j = i+1;
+
+ sprintf(formname, "bondform%i", j);
+ sprintf(fgname, "color%i", j);
+ sprintf(fglabel, "Bond Type %i Color", j);
+ sprintf(sizename, "thickness%i", j);
+ sprintf(sizelabel, "Bond Type %i Thickness",j);
+ sprintf(vname, "visible%i", j);
+ sprintf(iname, "invisible%i", j);
+
+ form = XtVaCreateManagedWidget(formname,
+ formWidgetClass, outerform, XtNfromVert,
+ last, NULL);
+
+ BFGDialog[i] = XtVaCreateManagedWidget(fgname,
+ dialogWidgetClass, form, XtNlabel, fglabel,
+ XtNvalue, "white", NULL);
+
+ ThicknessDialog[i] = XtVaCreateManagedWidget(sizename,
+ dialogWidgetClass, form, XtNlabel, sizelabel,
+ XtNvalue, "1", XtNfromHoriz, BFGDialog[i], NULL);
+
+ BVisible[i] = XtVaCreateManagedWidget(vname,
+ toggleWidgetClass, form, XtNlabel, "Visible",
+ XtNstate, True, XtNfromVert, BFGDialog[i], NULL);
+
+ BInvisible[i] = XtVaCreateManagedWidget(iname,
+ toggleWidgetClass, form, XtNlabel, "Invisible",
+ XtNstate, False, XtNradioGroup, BVisible[i],
+ XtNfromHoriz, BVisible[i], XtNfromVert, BFGDialog[i],
+ NULL);
+
+ XtAddCallback(BVisible[i], XtNcallback, bvisible_toggle,
+ (XtPointer) i);
+
+ XtAddCallback(BInvisible[i], XtNcallback, bvisible_toggle,
+ (XtPointer) i);
+
+ Common.bonds_visible[i] = True;
+ last = form;
+ }
+}
+
+/* **************************************************************** */
+
+PRIVATE void color_apply(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ static String *fg, *size;
+ static Pixel *fgpixel;
+ static int *diam;
+ static Bool first = True;
+
+ Boolean ok;
+ int i, n;
+
+
+ if (first) {
+ n = Common.natomcolors;
+
+ fg = (String *) XtMalloc( n * sizeof(String) );
+ size = (String *) XtMalloc( n * sizeof(String) );
+ fgpixel = (Pixel *) XtMalloc( n * sizeof(Pixel) );
+ diam = (int *) XtMalloc( n * sizeof(int) );
+
+ first = False;
+ }
+
+ ok = True;
+
+ for(i = 0; i < Common.natomcolors; i++) {
+ fg[i] = XawDialogGetValueString(FGDialog[i]);
+ fgpixel[i] = ConvertColorToPixel(FGDialog[i], fg[i]);
+
+ if (fgpixel[i] == (Pixel) -1) {
+ ok = False;
+ XtVaSetValues(FGDialog[i], XtNvalue,
+ "-Invalid Color-", NULL);
+ }
+
+ size[i] = XawDialogGetValueString(SizeDialog[i]);
+ diam[i] = atoi(size[i]);
+
+ if (diam[i] < 1 || diam[i] > MAXDIAM) {
+ ok = False;
+ XtVaSetValues(SizeDialog[i], XtNvalue,
+ "-Invalid Size-", NULL);
+ }
+ }
+
+ if (!ok){
+ XBell(XtDisplay(BGDialog), 0);
+ return;
+ }
+
+ SetAtomColors(fgpixel);
+
+ for(i = 0; i < Common.natomcolors; i++)
+ Common.diameter[i] = diam[i];
+
+ SceneUpdate();
+}
+
+/* **************************************************************** */
+
+PRIVATE void bond_apply(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ static String *fg, *size;
+ static Pixel *fgpixel;
+ static Dimension *thick;
+ static Bool first = True;
+
+ Boolean ok;
+ int i, n, ithick;
+
+ if (first) {
+ n = Common.nbondcolors;
+
+ fg = (String *) XtMalloc( n * sizeof(String) );
+ size = (String *) XtMalloc( n * sizeof(String) );
+ fgpixel = (Pixel *) XtMalloc( n * sizeof(Pixel) );
+ thick = (Dimension *) XtMalloc( n * sizeof(Dimension) );
+
+ first = False;
+ }
+
+ ok = True;
+
+ for(i = 0; i < Common.nbondcolors; i++) {
+ fg[i] = XawDialogGetValueString(BFGDialog[i]);
+ fgpixel[i] = ConvertColorToPixel(BFGDialog[i], fg[i]);
+
+ if (fgpixel[i] == (Pixel) -1) {
+ ok = False;
+ XtVaSetValues(BFGDialog[i], XtNvalue,
+ "-Invalid Color-", NULL);
+ }
+
+ size[i] = XawDialogGetValueString(ThicknessDialog[i]);
+ ithick = atoi(size[i]);
+
+ if (ithick < 1 || ithick > MAXTHICK) {
+ ok = False;
+ XtVaSetValues(ThicknessDialog[i], XtNvalue,
+ "-Invalid Size-", NULL);
+ }
+ thick[i] = ithick;
+ }
+
+ if (!ok){
+ XBell(XtDisplay(BGDialog), 0);
+ return;
+ }
+
+ SetBondColors(fgpixel, thick);
+
+ SceneUpdate();
+}
+
+/* **************************************************************** */
+
+PRIVATE void bg_apply(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ String bg;
+ Pixel bgpixel;
+
+ bg = XawDialogGetValueString(BGDialog);
+ bgpixel = ConvertColorToPixel(BGDialog, bg);
+
+ if (bgpixel == (Pixel) -1) {
+ XtVaSetValues(BGDialog, XtNvalue, "-Invalid Color-", NULL);
+ XBell(XtDisplay(BGDialog), 0);
+ return;
+ }
+
+ SetBGColor(bgpixel);
+
+ SceneUpdate();
+}
+
+PRIVATE Pixel ConvertColorToPixel(Widget w, String color)
+{
+ XrmValue from, to;
+ Pixel pixel;
+
+ from.size = strlen(color) + 1;
+ from.addr = color;
+ /* SJP - 10/02, new Linux couldn't fine caddr_t */
+ /* to.addr = (caddr_t) &pixel; */
+ to.addr = (char *) &pixel;
+ to.size = sizeof(pixel);
+
+ if (XtConvertAndStore(w, XtRString, (XrmValuePtr) &from,
+ XtRPixel, (XrmValuePtr) &to))
+ return(pixel);
+ else
+ return( (Pixel) -1);
+}
+
+
+PRIVATE void file_apply(Widget w, XtPointer client_data, XtPointer call_data)
+{
+ String bg;
+ Pixel bgpixel;
+ static String *fg, *size;
+ static Pixel *fgpixel;
+ static int *diam;
+ static Bool first = True;
+
+ int i, n;
+
+ if (first) {
+ n = Common.natomcolors;
+
+ fg = (String *) XtMalloc( n * sizeof(String) );
+ size = (String *) XtMalloc( n * sizeof(String) );
+ fgpixel = (Pixel *) XtMalloc( n * sizeof(Pixel) );
+ diam = (int *) XtMalloc( n * sizeof(int) );
+
+ first = False;
+ }
+
+ for(i = 0; i < Common.natomcolors; i++) {
+ fg[i] = "red";
+ fgpixel[i] = ConvertColorToPixel(FGDialog[i], fg[i]);
+
+ if (fgpixel[i] == (Pixel) -1) return;
+
+ XtVaSetValues(FGDialog[i], XtNvalue, fg[i], NULL);
+
+ size[i] = "20";
+ diam[i] = atoi(size[i]);
+
+ if (diam[i] < 1 || diam[i] > MAXDIAM) return;
+ XtVaSetValues(SizeDialog[i], XtNvalue, size[i], NULL);
+ }
+
+ SetAtomColors(fgpixel);
+
+ for(i = 0; i < Common.natomcolors; i++)
+ Common.diameter[i] = diam[i];
+
+ /*
+ Common.atoms_visible[0] = 0;
+ Common.atoms_visible[1] = 0;
+ Common.atoms_visible[2] = 0;
+ Common.atoms_visible[3] = 0;
+ */
+
+ bg = "green";
+ bgpixel = ConvertColorToPixel(BGDialog, bg);
+
+ if (bgpixel == (Pixel) -1) {
+ XtVaSetValues(BGDialog, XtNvalue, "-Invalid Color-", NULL);
+ XBell(XtDisplay(BGDialog), 0);
+ return;
+ }
+
+ SetBGColor(bgpixel);
+
+ SceneUpdate();
+}
+
+PRIVATE void visible_toggle(Widget w, XtPointer client_data,
+ XtPointer call_data)
+{
+ int i;
+ XtPointer data;
+ char c;
+
+ i = (int) client_data;
+
+ XtVaGetValues(w, XtNradioData, &data, NULL);
+
+ c = *((char *) data);
+
+ Common.atoms_visible[i] = c == 'v';
+}
+
+PRIVATE void bvisible_toggle(Widget w, XtPointer client_data,
+ XtPointer call_data)
+{
+ int i;
+ XtPointer data;
+ char c;
+
+ i = (int) client_data;
+
+ XtVaGetValues(w, XtNradioData, &data, NULL);
+
+ c = *((char *) data);
+
+ Common.bonds_visible[i] = c == 'v';
+}
diff --git a/tools/xmovie/dummy.c b/tools/xmovie/dummy.c
new file mode 100755
index 0000000000..f4d988ec5c
--- /dev/null
+++ b/tools/xmovie/dummy.c
@@ -0,0 +1,63 @@
+/* program to generate dummy data set */
+/* Mike Uttormark 7/16/92 */
+/* Sandia Nat'l Labs 1421 */
+/* On leave from University of Wisconsin--Madison */
+
+#include <math.h>
+#include <stdio.h>
+#include <stdlib.h>
+
+#define RANGE 5.0
+#define STEPS 2000
+#define PI 3.14159
+#define S 50
+
+#ifdef MISSINGDEFS
+int printf(char *, ...);
+#endif
+
+int main(int argc, char **argv);
+
+int main(int argc, char **argv)
+{
+ int i, j, step, npart;
+ int nsteps;
+
+ if (argc < 2)
+ nsteps = STEPS;
+ else
+ nsteps = atoi(argv[1]);
+
+ if (argc < 3)
+ npart = 1;
+ else
+ npart = atoi(argv[2]);
+
+ for(step = 0; step < nsteps; step++) {
+
+ printf("ITEM: TIME\n%g\n", (float) step);
+
+ if (step == 0) {
+ printf("ITEM: BOUNDS\n");
+ for (i = 3; i; i--)
+ printf("%g, %g\n", -RANGE, RANGE);
+ }
+ printf("ITEM: POSITIONS\n");
+
+ for( j = 0; j < npart; j++)
+ printf("%i, %i, %g, %g, %g\n",
+ j+1,
+ 1 + j%4,
+ RANGE*sin(2*PI*(step+j)/S),
+ RANGE*cos(0.25*PI*(step+j)/S),
+ RANGE*sin(5*PI*(step+j)/S));
+
+ if (npart > 1) {
+ printf("ITEM: BONDS\n");
+ for ( j = 0; j < npart-1; j++)
+ printf("%i %i %i\n", 1 + j%4, j+1, j+2);
+ }
+ }
+}
+
+
diff --git a/tools/xmovie/dummy.dat b/tools/xmovie/dummy.dat
new file mode 100755
index 0000000000..708e83d1f8
--- /dev/null
+++ b/tools/xmovie/dummy.dat
@@ -0,0 +1,8004 @@
+ITEM: TIME
+0
+ITEM: BOUNDS
+-5, 5
+-5, 5
+-5, 5
+ITEM: POSITIONS
+1, 1, 0, 5, 0
+ITEM: TIME
+1
+ITEM: POSITIONS
+1, 1, 0.626666, 4.99938, 1.54508
+ITEM: TIME
+2
+ITEM: POSITIONS
+1, 1, 1.24345, 4.99753, 2.93892
+ITEM: TIME
+3
+ITEM: POSITIONS
+1, 1, 1.84062, 4.99445, 4.04508
+ITEM: TIME
+4
+ITEM: POSITIONS
+1, 1, 2.40877, 4.99013, 4.75528
+ITEM: TIME
+5
+ITEM: POSITIONS
+1, 1, 2.93892, 4.98459, 5
+ITEM: TIME
+6
+ITEM: POSITIONS
+1, 1, 3.42273, 4.97781, 4.75529
+ITEM: TIME
+7
+ITEM: POSITIONS
+1, 1, 3.85256, 4.9698, 4.04509
+ITEM: TIME
+8
+ITEM: POSITIONS
+1, 1, 4.22164, 4.96057, 2.93893
+ITEM: TIME
+9
+ITEM: POSITIONS
+1, 1, 4.52413, 4.95012, 1.5451
+ITEM: TIME
+10
+ITEM: POSITIONS
+1, 1, 4.75528, 4.93844, 1.32679e-05
+ITEM: TIME
+11
+ITEM: POSITIONS
+1, 1, 4.91144, 4.92555, -1.54507
+ITEM: TIME
+12
+ITEM: POSITIONS
+1, 1, 4.99013, 4.91144, -2.93891
+ITEM: TIME
+13
+ITEM: POSITIONS
+1, 1, 4.99013, 4.89611, -4.04507
+ITEM: TIME
+14
+ITEM: POSITIONS
+1, 1, 4.91144, 4.87958, -4.75528
+ITEM: TIME
+15
+ITEM: POSITIONS
+1, 1, 4.75529, 4.86185, -5
+ITEM: TIME
+16
+ITEM: POSITIONS
+1, 1, 4.52414, 4.84292, -4.75529
+ITEM: TIME
+17
+ITEM: POSITIONS
+1, 1, 4.22164, 4.82279, -4.0451
+ITEM: TIME
+18
+ITEM: POSITIONS
+1, 1, 3.85257, 4.80147, -2.93895
+ITEM: TIME
+19
+ITEM: POSITIONS
+1, 1, 3.42274, 4.77897, -1.54511
+ITEM: TIME
+20
+ITEM: POSITIONS
+1, 1, 2.93893, 4.75528, -2.65359e-05
+ITEM: TIME
+21
+ITEM: POSITIONS
+1, 1, 2.40878, 4.73043, 1.54506
+ITEM: TIME
+22
+ITEM: POSITIONS
+1, 1, 1.84063, 4.7044, 2.9389
+ITEM: TIME
+23
+ITEM: POSITIONS
+1, 1, 1.24346, 4.67722, 4.04507
+ITEM: TIME
+24
+ITEM: POSITIONS
+1, 1, 0.626679, 4.64888, 4.75527
+ITEM: TIME
+25
+ITEM: POSITIONS
+1, 1, 1.32679e-05, 4.6194, 5
+ITEM: TIME
+26
+ITEM: POSITIONS
+1, 1, -0.626652, 4.58877, 4.75529
+ITEM: TIME
+27
+ITEM: POSITIONS
+1, 1, -1.24344, 4.55702, 4.04511
+ITEM: TIME
+28
+ITEM: POSITIONS
+1, 1, -1.84061, 4.52414, 2.93896
+ITEM: TIME
+29
+ITEM: POSITIONS
+1, 1, -2.40875, 4.49014, 1.54512
+ITEM: TIME
+30
+ITEM: POSITIONS
+1, 1, -2.93891, 4.45503, 3.98038e-05
+ITEM: TIME
+31
+ITEM: POSITIONS
+1, 1, -3.42272, 4.41883, -1.54505
+ITEM: TIME
+32
+ITEM: POSITIONS
+1, 1, -3.85256, 4.38153, -2.93889
+ITEM: TIME
+33
+ITEM: POSITIONS
+1, 1, -4.22163, 4.34316, -4.04506
+ITEM: TIME
+34
+ITEM: POSITIONS
+1, 1, -4.52413, 4.30371, -4.75527
+ITEM: TIME
+35
+ITEM: POSITIONS
+1, 1, -4.75528, 4.2632, -5
+ITEM: TIME
+36
+ITEM: POSITIONS
+1, 1, -4.91143, 4.22164, -4.7553
+ITEM: TIME
+37
+ITEM: POSITIONS
+1, 1, -4.99013, 4.17904, -4.04511
+ITEM: TIME
+38
+ITEM: POSITIONS
+1, 1, -4.99013, 4.1354, -2.93897
+ITEM: TIME
+39
+ITEM: POSITIONS
+1, 1, -4.91144, 4.09075, -1.54513
+ITEM: TIME
+40
+ITEM: POSITIONS
+1, 1, -4.75529, 4.04509, -5.30718e-05
+ITEM: TIME
+41
+ITEM: POSITIONS
+1, 1, -4.52414, 3.99842, 1.54503
+ITEM: TIME
+42
+ITEM: POSITIONS
+1, 1, -4.22165, 3.95078, 2.93888
+ITEM: TIME
+43
+ITEM: POSITIONS
+1, 1, -3.85258, 3.90215, 4.04505
+ITEM: TIME
+44
+ITEM: POSITIONS
+1, 1, -3.42275, 3.85257, 4.75526
+ITEM: TIME
+45
+ITEM: POSITIONS
+1, 1, -2.93895, 3.80203, 5
+ITEM: TIME
+46
+ITEM: POSITIONS
+1, 1, -2.40879, 3.75056, 4.7553
+ITEM: TIME
+47
+ITEM: POSITIONS
+1, 1, -1.84065, 3.69816, 4.04512
+ITEM: TIME
+48
+ITEM: POSITIONS
+1, 1, -1.24347, 3.64485, 2.93898
+ITEM: TIME
+49
+ITEM: POSITIONS
+1, 1, -0.626692, 3.59063, 1.54515
+ITEM: TIME
+50
+ITEM: POSITIONS
+1, 1, -2.65359e-05, 3.53554, 6.63397e-05
+ITEM: TIME
+51
+ITEM: POSITIONS
+1, 1, 0.626639, 3.47957, -1.54502
+ITEM: TIME
+52
+ITEM: POSITIONS
+1, 1, 1.24342, 3.42274, -2.93887
+ITEM: TIME
+53
+ITEM: POSITIONS
+1, 1, 1.8406, 3.36507, -4.04504
+ITEM: TIME
+54
+ITEM: POSITIONS
+1, 1, 2.40874, 3.30656, -4.75526
+ITEM: TIME
+55
+ITEM: POSITIONS
+1, 1, 2.9389, 3.24724, -5
+ITEM: TIME
+56
+ITEM: POSITIONS
+1, 1, 3.42271, 3.18712, -4.75531
+ITEM: TIME
+57
+ITEM: POSITIONS
+1, 1, 3.85255, 3.12622, -4.04513
+ITEM: TIME
+58
+ITEM: POSITIONS
+1, 1, 4.22162, 3.06454, -2.93899
+ITEM: TIME
+59
+ITEM: POSITIONS
+1, 1, 4.52412, 3.0021, -1.54516
+ITEM: TIME
+60
+ITEM: POSITIONS
+1, 1, 4.75527, 2.93893, -7.96077e-05
+ITEM: TIME
+61
+ITEM: POSITIONS
+1, 1, 4.91143, 2.87503, 1.54501
+ITEM: TIME
+62
+ITEM: POSITIONS
+1, 1, 4.99013, 2.81042, 2.93886
+ITEM: TIME
+63
+ITEM: POSITIONS
+1, 1, 4.99014, 2.74512, 4.04504
+ITEM: TIME
+64
+ITEM: POSITIONS
+1, 1, 4.91144, 2.67914, 4.75526
+ITEM: TIME
+65
+ITEM: POSITIONS
+1, 1, 4.75529, 2.6125, 5
+ITEM: TIME
+66
+ITEM: POSITIONS
+1, 1, 4.52415, 2.54521, 4.75531
+ITEM: TIME
+67
+ITEM: POSITIONS
+1, 1, 4.22166, 2.4773, 4.04514
+ITEM: TIME
+68
+ITEM: POSITIONS
+1, 1, 3.85259, 2.40877, 2.939
+ITEM: TIME
+69
+ITEM: POSITIONS
+1, 1, 3.42276, 2.33965, 1.54517
+ITEM: TIME
+70
+ITEM: POSITIONS
+1, 1, 2.93896, 2.26996, 9.28756e-05
+ITEM: TIME
+71
+ITEM: POSITIONS
+1, 1, 2.4088, 2.1997, -1.545
+ITEM: TIME
+72
+ITEM: POSITIONS
+1, 1, 1.84066, 2.1289, -2.93885
+ITEM: TIME
+73
+ITEM: POSITIONS
+1, 1, 1.24349, 2.05758, -4.04503
+ITEM: TIME
+74
+ITEM: POSITIONS
+1, 1, 0.626705, 1.98574, -4.75525
+ITEM: TIME
+75
+ITEM: POSITIONS
+1, 1, 3.98038e-05, 1.91342, -5
+ITEM: TIME
+76
+ITEM: POSITIONS
+1, 1, -0.626626, 1.84063, -4.75531
+ITEM: TIME
+77
+ITEM: POSITIONS
+1, 1, -1.24341, 1.76738, -4.04515
+ITEM: TIME
+78
+ITEM: POSITIONS
+1, 1, -1.84058, 1.69369, -2.93901
+ITEM: TIME
+79
+ITEM: POSITIONS
+1, 1, -2.40873, 1.61959, -1.54518
+ITEM: TIME
+80
+ITEM: POSITIONS
+1, 1, -2.93889, 1.54509, -0.000106144
+ITEM: TIME
+81
+ITEM: POSITIONS
+1, 1, -3.4227, 1.47021, 1.54498
+ITEM: TIME
+82
+ITEM: POSITIONS
+1, 1, -3.85254, 1.39496, 2.93884
+ITEM: TIME
+83
+ITEM: POSITIONS
+1, 1, -4.22162, 1.31937, 4.04502
+ITEM: TIME
+84
+ITEM: POSITIONS
+1, 1, -4.52412, 1.24345, 4.75525
+ITEM: TIME
+85
+ITEM: POSITIONS
+1, 1, -4.75527, 1.16723, 5
+ITEM: TIME
+86
+ITEM: POSITIONS
+1, 1, -4.91143, 1.09072, 4.75532
+ITEM: TIME
+87
+ITEM: POSITIONS
+1, 1, -4.99013, 1.01394, 4.04515
+ITEM: TIME
+88
+ITEM: POSITIONS
+1, 1, -4.99014, 0.936912, 2.93902
+ITEM: TIME
+89
+ITEM: POSITIONS
+1, 1, -4.91145, 0.859651, 1.5452
+ITEM: TIME
+90
+ITEM: POSITIONS
+1, 1, -4.7553, 0.782178, 0.000119412
+ITEM: TIME
+91
+ITEM: POSITIONS
+1, 1, -4.52416, 0.704512, -1.54497
+ITEM: TIME
+92
+ITEM: POSITIONS
+1, 1, -4.22167, 0.626672, -2.93883
+ITEM: TIME
+93
+ITEM: POSITIONS
+1, 1, -3.8526, 0.548678, -4.04501
+ITEM: TIME
+94
+ITEM: POSITIONS
+1, 1, -3.42277, 0.470548, -4.75524
+ITEM: TIME
+95
+ITEM: POSITIONS
+1, 1, -2.93897, 0.392302, -5
+ITEM: TIME
+96
+ITEM: POSITIONS
+1, 1, -2.40881, 0.313959, -4.75532
+ITEM: TIME
+97
+ITEM: POSITIONS
+1, 1, -1.84067, 0.235539, -4.04516
+ITEM: TIME
+98
+ITEM: POSITIONS
+1, 1, -1.2435, 0.15706, -2.93903
+ITEM: TIME
+99
+ITEM: POSITIONS
+1, 1, -0.626718, 0.0785432, -1.54521
+ITEM: TIME
+100
+ITEM: POSITIONS
+1, 1, -5.30718e-05, 6.63397e-06, -0.000132679
+ITEM: TIME
+101
+ITEM: POSITIONS
+1, 1, 0.626613, -0.0785299, 1.54496
+ITEM: TIME
+102
+ITEM: POSITIONS
+1, 1, 1.2434, -0.157047, 2.93882
+ITEM: TIME
+103
+ITEM: POSITIONS
+1, 1, 1.84057, -0.235525, 4.045
+ITEM: TIME
+104
+ITEM: POSITIONS
+1, 1, 2.40872, -0.313946, 4.75524
+ITEM: TIME
+105
+ITEM: POSITIONS
+1, 1, 2.93888, -0.392289, 5
+ITEM: TIME
+106
+ITEM: POSITIONS
+1, 1, 3.42269, -0.470535, 4.75533
+ITEM: TIME
+107
+ITEM: POSITIONS
+1, 1, 3.85253, -0.548664, 4.04517
+ITEM: TIME
+108
+ITEM: POSITIONS
+1, 1, 4.22161, -0.626659, 2.93904
+ITEM: TIME
+109
+ITEM: POSITIONS
+1, 1, 4.52411, -0.704499, 1.54522
+ITEM: TIME
+110
+ITEM: POSITIONS
+1, 1, 4.75526, -0.782165, 0.000145947
+ITEM: TIME
+111
+ITEM: POSITIONS
+1, 1, 4.91143, -0.859638, -1.54494
+ITEM: TIME
+112
+ITEM: POSITIONS
+1, 1, 4.99013, -0.936899, -2.93881
+ITEM: TIME
+113
+ITEM: POSITIONS
+1, 1, 4.99014, -1.01393, -4.045
+ITEM: TIME
+114
+ITEM: POSITIONS
+1, 1, 4.91145, -1.09071, -4.75524
+ITEM: TIME
+115
+ITEM: POSITIONS
+1, 1, 4.7553, -1.16722, -5
+ITEM: TIME
+116
+ITEM: POSITIONS
+1, 1, 4.52416, -1.24344, -4.75533
+ITEM: TIME
+117
+ITEM: POSITIONS
+1, 1, 4.22167, -1.31936, -4.04518
+ITEM: TIME
+118
+ITEM: POSITIONS
+1, 1, 3.85261, -1.39495, -2.93905
+ITEM: TIME
+119
+ITEM: POSITIONS
+1, 1, 3.42278, -1.47019, -1.54524
+ITEM: TIME
+120
+ITEM: POSITIONS
+1, 1, 2.93898, -1.54508, -0.000159215
+ITEM: TIME
+121
+ITEM: POSITIONS
+1, 1, 2.40882, -1.61958, 1.54493
+ITEM: TIME
+122
+ITEM: POSITIONS
+1, 1, 1.84068, -1.69368, 2.9388
+ITEM: TIME
+123
+ITEM: POSITIONS
+1, 1, 1.24351, -1.76737, 4.04499
+ITEM: TIME
+124
+ITEM: POSITIONS
+1, 1, 0.626731, -1.84062, 4.75523
+ITEM: TIME
+125
+ITEM: POSITIONS
+1, 1, 6.63397e-05, -1.91341, 5
+ITEM: TIME
+126
+ITEM: POSITIONS
+1, 1, -0.6266, -1.98573, 4.75533
+ITEM: TIME
+127
+ITEM: POSITIONS
+1, 1, -1.24338, -2.05756, 4.04518
+ITEM: TIME
+128
+ITEM: POSITIONS
+1, 1, -1.84056, -2.12889, 2.93906
+ITEM: TIME
+129
+ITEM: POSITIONS
+1, 1, -2.40871, -2.19969, 1.54525
+ITEM: TIME
+130
+ITEM: POSITIONS
+1, 1, -2.93887, -2.26994, 0.000172483
+ITEM: TIME
+131
+ITEM: POSITIONS
+1, 1, -3.42268, -2.33964, -1.54492
+ITEM: TIME
+132
+ITEM: POSITIONS
+1, 1, -3.85252, -2.40876, -2.93878
+ITEM: TIME
+133
+ITEM: POSITIONS
+1, 1, -4.2216, -2.47729, -4.04498
+ITEM: TIME
+134
+ITEM: POSITIONS
+1, 1, -4.5241, -2.5452, -4.75523
+ITEM: TIME
+135
+ITEM: POSITIONS
+1, 1, -4.75526, -2.61249, -5
+ITEM: TIME
+136
+ITEM: POSITIONS
+1, 1, -4.91142, -2.67913, -4.75534
+ITEM: TIME
+137
+ITEM: POSITIONS
+1, 1, -4.99013, -2.74511, -4.04519
+ITEM: TIME
+138
+ITEM: POSITIONS
+1, 1, -4.99014, -2.81041, -2.93907
+ITEM: TIME
+139
+ITEM: POSITIONS
+1, 1, -4.91145, -2.87502, -1.54526
+ITEM: TIME
+140
+ITEM: POSITIONS
+1, 1, -4.75531, -2.93892, -0.000185751
+ITEM: TIME
+141
+ITEM: POSITIONS
+1, 1, -4.52417, -3.00209, 1.54491
+ITEM: TIME
+142
+ITEM: POSITIONS
+1, 1, -4.22168, -3.06453, 2.93877
+ITEM: TIME
+143
+ITEM: POSITIONS
+1, 1, -3.85261, -3.12621, 4.04497
+ITEM: TIME
+144
+ITEM: POSITIONS
+1, 1, -3.42279, -3.18711, 4.75522
+ITEM: TIME
+145
+ITEM: POSITIONS
+1, 1, -2.93899, -3.24723, 5
+ITEM: TIME
+146
+ITEM: POSITIONS
+1, 1, -2.40884, -3.30655, 4.75534
+ITEM: TIME
+147
+ITEM: POSITIONS
+1, 1, -1.8407, -3.36506, 4.0452
+ITEM: TIME
+148
+ITEM: POSITIONS
+1, 1, -1.24353, -3.42273, 2.93909
+ITEM: TIME
+149
+ITEM: POSITIONS
+1, 1, -0.626745, -3.47956, 1.54527
+ITEM: TIME
+150
+ITEM: POSITIONS
+1, 1, -7.96077e-05, -3.53553, 0.000199019
+ITEM: TIME
+151
+ITEM: POSITIONS
+1, 1, 0.626587, -3.59062, -1.54489
+ITEM: TIME
+152
+ITEM: POSITIONS
+1, 1, 1.24337, -3.64484, -2.93876
+ITEM: TIME
+153
+ITEM: POSITIONS
+1, 1, 1.84055, -3.69815, -4.04497
+ITEM: TIME
+154
+ITEM: POSITIONS
+1, 1, 2.4087, -3.75055, -4.75522
+ITEM: TIME
+155
+ITEM: POSITIONS
+1, 1, 2.93886, -3.80202, -5
+ITEM: TIME
+156
+ITEM: POSITIONS
+1, 1, 3.42268, -3.85256, -4.75535
+ITEM: TIME
+157
+ITEM: POSITIONS
+1, 1, 3.85251, -3.90215, -4.04521
+ITEM: TIME
+158
+ITEM: POSITIONS
+1, 1, 4.22159, -3.95077, -2.9391
+ITEM: TIME
+159
+ITEM: POSITIONS
+1, 1, 4.5241, -3.99842, -1.54529
+ITEM: TIME
+160
+ITEM: POSITIONS
+1, 1, 4.75526, -4.04508, -0.000212287
+ITEM: TIME
+161
+ITEM: POSITIONS
+1, 1, 4.91142, -4.09074, 1.54488
+ITEM: TIME
+162
+ITEM: POSITIONS
+1, 1, 4.99013, -4.1354, 2.93875
+ITEM: TIME
+163
+ITEM: POSITIONS
+1, 1, 4.99014, -4.17903, 4.04496
+ITEM: TIME
+164
+ITEM: POSITIONS
+1, 1, 4.91145, -4.22163, 4.75522
+ITEM: TIME
+165
+ITEM: POSITIONS
+1, 1, 4.75531, -4.2632, 5
+ITEM: TIME
+166
+ITEM: POSITIONS
+1, 1, 4.52417, -4.3037, 4.75535
+ITEM: TIME
+167
+ITEM: POSITIONS
+1, 1, 4.22169, -4.34315, 4.04522
+ITEM: TIME
+168
+ITEM: POSITIONS
+1, 1, 3.85262, -4.38153, 2.93911
+ITEM: TIME
+169
+ITEM: POSITIONS
+1, 1, 3.4228, -4.41882, 1.5453
+ITEM: TIME
+170
+ITEM: POSITIONS
+1, 1, 2.939, -4.45503, 0.000225555
+ITEM: TIME
+171
+ITEM: POSITIONS
+1, 1, 2.40885, -4.49013, -1.54487
+ITEM: TIME
+172
+ITEM: POSITIONS
+1, 1, 1.84071, -4.52413, -2.93874
+ITEM: TIME
+173
+ITEM: POSITIONS
+1, 1, 1.24354, -4.55701, -4.04495
+ITEM: TIME
+174
+ITEM: POSITIONS
+1, 1, 0.626758, -4.58877, -4.75521
+ITEM: TIME
+175
+ITEM: POSITIONS
+1, 1, 9.28756e-05, -4.61939, -5
+ITEM: TIME
+176
+ITEM: POSITIONS
+1, 1, -0.626573, -4.64888, -4.75535
+ITEM: TIME
+177
+ITEM: POSITIONS
+1, 1, -1.24336, -4.67722, -4.04522
+ITEM: TIME
+178
+ITEM: POSITIONS
+1, 1, -1.84053, -4.7044, -2.93912
+ITEM: TIME
+179
+ITEM: POSITIONS
+1, 1, -2.40869, -4.73042, -1.54531
+ITEM: TIME
+180
+ITEM: POSITIONS
+1, 1, -2.93885, -4.75528, -0.000238823
+ITEM: TIME
+181
+ITEM: POSITIONS
+1, 1, -3.42267, -4.77896, 1.54486
+ITEM: TIME
+182
+ITEM: POSITIONS
+1, 1, -3.8525, -4.80147, 2.93873
+ITEM: TIME
+183
+ITEM: POSITIONS
+1, 1, -4.22159, -4.82278, 4.04494
+ITEM: TIME
+184
+ITEM: POSITIONS
+1, 1, -4.52409, -4.84291, 4.75521
+ITEM: TIME
+185
+ITEM: POSITIONS
+1, 1, -4.75525, -4.86185, 5
+ITEM: TIME
+186
+ITEM: POSITIONS
+1, 1, -4.91142, -4.87958, 4.75536
+ITEM: TIME
+187
+ITEM: POSITIONS
+1, 1, -4.99013, -4.89611, 4.04523
+ITEM: TIME
+188
+ITEM: POSITIONS
+1, 1, -4.99014, -4.91143, 2.93913
+ITEM: TIME
+189
+ITEM: POSITIONS
+1, 1, -4.91146, -4.92554, 1.54532
+ITEM: TIME
+190
+ITEM: POSITIONS
+1, 1, -4.75531, -4.93844, 0.000252091
+ITEM: TIME
+191
+ITEM: POSITIONS
+1, 1, -4.52418, -4.95012, -1.54484
+ITEM: TIME
+192
+ITEM: POSITIONS
+1, 1, -4.22169, -4.96057, -2.93872
+ITEM: TIME
+193
+ITEM: POSITIONS
+1, 1, -3.85263, -4.9698, -4.04493
+ITEM: TIME
+194
+ITEM: POSITIONS
+1, 1, -3.42281, -4.97781, -4.7552
+ITEM: TIME
+195
+ITEM: POSITIONS
+1, 1, -2.93901, -4.98459, -5
+ITEM: TIME
+196
+ITEM: POSITIONS
+1, 1, -2.40886, -4.99013, -4.75536
+ITEM: TIME
+197
+ITEM: POSITIONS
+1, 1, -1.84072, -4.99445, -4.04524
+ITEM: TIME
+198
+ITEM: POSITIONS
+1, 1, -1.24355, -4.99753, -2.93914
+ITEM: TIME
+199
+ITEM: POSITIONS
+1, 1, -0.626771, -4.99938, -1.54534
+ITEM: TIME
+200
+ITEM: POSITIONS
+1, 1, -0.000106144, -5, -0.000265359
+ITEM: TIME
+201
+ITEM: POSITIONS
+1, 1, 0.62656, -4.99938, 1.54483
+ITEM: TIME
+202
+ITEM: POSITIONS
+1, 1, 1.24335, -4.99753, 2.93871
+ITEM: TIME
+203
+ITEM: POSITIONS
+1, 1, 1.84052, -4.99445, 4.04493
+ITEM: TIME
+204
+ITEM: POSITIONS
+1, 1, 2.40867, -4.99013, 4.7552
+ITEM: TIME
+205
+ITEM: POSITIONS
+1, 1, 2.93884, -4.98459, 5
+ITEM: TIME
+206
+ITEM: POSITIONS
+1, 1, 3.42266, -4.97781, 4.75537
+ITEM: TIME
+207
+ITEM: POSITIONS
+1, 1, 3.8525, -4.96981, 4.04525
+ITEM: TIME
+208
+ITEM: POSITIONS
+1, 1, 4.22158, -4.96058, 2.93915
+ITEM: TIME
+209
+ITEM: POSITIONS
+1, 1, 4.52409, -4.95012, 1.54535
+ITEM: TIME
+210
+ITEM: POSITIONS
+1, 1, 4.75525, -4.93844, 0.000278627
+ITEM: TIME
+211
+ITEM: POSITIONS
+1, 1, 4.91142, -4.92555, -1.54482
+ITEM: TIME
+212
+ITEM: POSITIONS
+1, 1, 4.99013, -4.91144, -2.9387
+ITEM: TIME
+213
+ITEM: POSITIONS
+1, 1, 4.99014, -4.89612, -4.04492
+ITEM: TIME
+214
+ITEM: POSITIONS
+1, 1, 4.91146, -4.87959, -4.75519
+ITEM: TIME
+215
+ITEM: POSITIONS
+1, 1, 4.75532, -4.86185, -5
+ITEM: TIME
+216
+ITEM: POSITIONS
+1, 1, 4.52418, -4.84292, -4.75537
+ITEM: TIME
+217
+ITEM: POSITIONS
+1, 1, 4.2217, -4.82279, -4.04525
+ITEM: TIME
+218
+ITEM: POSITIONS
+1, 1, 3.85264, -4.80147, -2.93916
+ITEM: TIME
+219
+ITEM: POSITIONS
+1, 1, 3.42282, -4.77897, -1.54536
+ITEM: TIME
+220
+ITEM: POSITIONS
+1, 1, 2.93902, -4.75529, -0.000291895
+ITEM: TIME
+221
+ITEM: POSITIONS
+1, 1, 2.40887, -4.73043, 1.54481
+ITEM: TIME
+222
+ITEM: POSITIONS
+1, 1, 1.84073, -4.70441, 2.93869
+ITEM: TIME
+223
+ITEM: POSITIONS
+1, 1, 1.24356, -4.67723, 4.04491
+ITEM: TIME
+224
+ITEM: POSITIONS
+1, 1, 0.626784, -4.64889, 4.75519
+ITEM: TIME
+225
+ITEM: POSITIONS
+1, 1, 0.000119412, -4.6194, 5
+ITEM: TIME
+226
+ITEM: POSITIONS
+1, 1, -0.626547, -4.58878, 4.75538
+ITEM: TIME
+227
+ITEM: POSITIONS
+1, 1, -1.24333, -4.55702, 4.04526
+ITEM: TIME
+228
+ITEM: POSITIONS
+1, 1, -1.84051, -4.52414, 2.93917
+ITEM: TIME
+229
+ITEM: POSITIONS
+1, 1, -2.40866, -4.49014, 1.54537
+ITEM: TIME
+230
+ITEM: POSITIONS
+1, 1, -2.93883, -4.45504, 0.000305163
+ITEM: TIME
+231
+ITEM: POSITIONS
+1, 1, -3.42265, -4.41884, -1.54479
+ITEM: TIME
+232
+ITEM: POSITIONS
+1, 1, -3.85249, -4.38154, -2.93868
+ITEM: TIME
+233
+ITEM: POSITIONS
+1, 1, -4.22157, -4.34317, -4.0449
+ITEM: TIME
+234
+ITEM: POSITIONS
+1, 1, -4.52408, -4.30372, -4.75519
+ITEM: TIME
+235
+ITEM: POSITIONS
+1, 1, -4.75524, -4.26321, -5
+ITEM: TIME
+236
+ITEM: POSITIONS
+1, 1, -4.91141, -4.22165, -4.75538
+ITEM: TIME
+237
+ITEM: POSITIONS
+1, 1, -4.99013, -4.17905, -4.04527
+ITEM: TIME
+238
+ITEM: POSITIONS
+1, 1, -4.99014, -4.13541, -2.93918
+ITEM: TIME
+239
+ITEM: POSITIONS
+1, 1, -4.91146, -4.09076, -1.54539
+ITEM: TIME
+240
+ITEM: POSITIONS
+1, 1, -4.75532, -4.04509, -0.000318431
+ITEM: TIME
+241
+ITEM: POSITIONS
+1, 1, -4.52419, -3.99843, 1.54478
+ITEM: TIME
+242
+ITEM: POSITIONS
+1, 1, -4.22171, -3.95078, 2.93867
+ITEM: TIME
+243
+ITEM: POSITIONS
+1, 1, -3.85265, -3.90216, 4.0449
+ITEM: TIME
+244
+ITEM: POSITIONS
+1, 1, -3.42283, -3.85258, 4.75518
+ITEM: TIME
+245
+ITEM: POSITIONS
+1, 1, -2.93903, -3.80204, 5
+ITEM: TIME
+246
+ITEM: POSITIONS
+1, 1, -2.40888, -3.75057, 4.75538
+ITEM: TIME
+247
+ITEM: POSITIONS
+1, 1, -1.84074, -3.69817, 4.04528
+ITEM: TIME
+248
+ITEM: POSITIONS
+1, 1, -1.24358, -3.64485, 2.93919
+ITEM: TIME
+249
+ITEM: POSITIONS
+1, 1, -0.626797, -3.59064, 1.5454
+ITEM: TIME
+250
+ITEM: POSITIONS
+1, 1, -0.000132679, -3.53555, 0.000331699
+ITEM: TIME
+251
+ITEM: POSITIONS
+1, 1, 0.626534, -3.47958, -1.54477
+ITEM: TIME
+252
+ITEM: POSITIONS
+1, 1, 1.24332, -3.42275, -2.93866
+ITEM: TIME
+253
+ITEM: POSITIONS
+1, 1, 1.8405, -3.36507, -4.04489
+ITEM: TIME
+254
+ITEM: POSITIONS
+1, 1, 2.40865, -3.30657, -4.75518
+ITEM: TIME
+255
+ITEM: POSITIONS
+1, 1, 2.93882, -3.24725, -5
+ITEM: TIME
+256
+ITEM: POSITIONS
+1, 1, 3.42264, -3.18713, -4.75539
+ITEM: TIME
+257
+ITEM: POSITIONS
+1, 1, 3.85248, -3.12623, -4.04529
+ITEM: TIME
+258
+ITEM: POSITIONS
+1, 1, 4.22157, -3.06455, -2.9392
+ITEM: TIME
+259
+ITEM: POSITIONS
+1, 1, 4.52408, -3.00211, -1.54541
+ITEM: TIME
+260
+ITEM: POSITIONS
+1, 1, 4.75524, -2.93894, -0.000344967
+ITEM: TIME
+261
+ITEM: POSITIONS
+1, 1, 4.91141, -2.87504, 1.54476
+ITEM: TIME
+262
+ITEM: POSITIONS
+1, 1, 4.99012, -2.81043, 2.93865
+ITEM: TIME
+263
+ITEM: POSITIONS
+1, 1, 4.99014, -2.74513, 4.04488
+ITEM: TIME
+264
+ITEM: POSITIONS
+1, 1, 4.91146, -2.67915, 4.75517
+ITEM: TIME
+265
+ITEM: POSITIONS
+1, 1, 4.75533, -2.61251, 5
+ITEM: TIME
+266
+ITEM: POSITIONS
+1, 1, 4.5242, -2.54522, 4.75539
+ITEM: TIME
+267
+ITEM: POSITIONS
+1, 1, 4.22172, -2.47731, 4.04529
+ITEM: TIME
+268
+ITEM: POSITIONS
+1, 1, 3.85266, -2.40878, 2.93921
+ITEM: TIME
+269
+ITEM: POSITIONS
+1, 1, 3.42284, -2.33966, 1.54542
+ITEM: TIME
+270
+ITEM: POSITIONS
+1, 1, 2.93904, -2.26997, 0.000358235
+ITEM: TIME
+271
+ITEM: POSITIONS
+1, 1, 2.40889, -2.19971, -1.54474
+ITEM: TIME
+272
+ITEM: POSITIONS
+1, 1, 1.84076, -2.12891, -2.93863
+ITEM: TIME
+273
+ITEM: POSITIONS
+1, 1, 1.24359, -2.05759, -4.04487
+ITEM: TIME
+274
+ITEM: POSITIONS
+1, 1, 0.62681, -1.98576, -4.75517
+ITEM: TIME
+275
+ITEM: POSITIONS
+1, 1, 0.000145947, -1.91343, -5
+ITEM: TIME
+276
+ITEM: POSITIONS
+1, 1, -0.626521, -1.84064, -4.7554
+ITEM: TIME
+277
+ITEM: POSITIONS
+1, 1, -1.24331, -1.76739, -4.0453
+ITEM: TIME
+278
+ITEM: POSITIONS
+1, 1, -1.84049, -1.69371, -2.93922
+ITEM: TIME
+279
+ITEM: POSITIONS
+1, 1, -2.40864, -1.6196, -1.54544
+ITEM: TIME
+280
+ITEM: POSITIONS
+1, 1, -2.93881, -1.5451, -0.000371503
+ITEM: TIME
+281
+ITEM: POSITIONS
+1, 1, -3.42263, -1.47022, 1.54473
+ITEM: TIME
+282
+ITEM: POSITIONS
+1, 1, -3.85247, -1.39497, 2.93862
+ITEM: TIME
+283
+ITEM: POSITIONS
+1, 1, -4.22156, -1.31938, 4.04486
+ITEM: TIME
+284
+ITEM: POSITIONS
+1, 1, -4.52407, -1.24347, 4.75517
+ITEM: TIME
+285
+ITEM: POSITIONS
+1, 1, -4.75524, -1.16725, 5
+ITEM: TIME
+286
+ITEM: POSITIONS
+1, 1, -4.91141, -1.09073, 4.7554
+ITEM: TIME
+287
+ITEM: POSITIONS
+1, 1, -4.99012, -1.01396, 4.04531
+ITEM: TIME
+288
+ITEM: POSITIONS
+1, 1, -4.99014, -0.936925, 2.93924
+ITEM: TIME
+289
+ITEM: POSITIONS
+1, 1, -4.91146, -0.859664, 1.54545
+ITEM: TIME
+290
+ITEM: POSITIONS
+1, 1, -4.75533, -0.782191, 0.000384771
+ITEM: TIME
+291
+ITEM: POSITIONS
+1, 1, -4.5242, -0.704525, -1.54472
+ITEM: TIME
+292
+ITEM: POSITIONS
+1, 1, -4.22172, -0.626685, -2.93861
+ITEM: TIME
+293
+ITEM: POSITIONS
+1, 1, -3.85267, -0.548691, -4.04486
+ITEM: TIME
+294
+ITEM: POSITIONS
+1, 1, -3.42285, -0.470561, -4.75516
+ITEM: TIME
+295
+ITEM: POSITIONS
+1, 1, -2.93905, -0.392315, -5
+ITEM: TIME
+296
+ITEM: POSITIONS
+1, 1, -2.40891, -0.313972, -4.7554
+ITEM: TIME
+297
+ITEM: POSITIONS
+1, 1, -1.84077, -0.235552, -4.04532
+ITEM: TIME
+298
+ITEM: POSITIONS
+1, 1, -1.2436, -0.157074, -2.93925
+ITEM: TIME
+299
+ITEM: POSITIONS
+1, 1, -0.626824, -0.0785564, -1.54546
+ITEM: TIME
+300
+ITEM: POSITIONS
+1, 1, -0.000159215, -1.99019e-05, -0.000398038
+ITEM: TIME
+301
+ITEM: POSITIONS
+1, 1, 0.626508, 0.0785166, 1.54471
+ITEM: TIME
+302
+ITEM: POSITIONS
+1, 1, 1.24329, 0.157034, 2.9386
+ITEM: TIME
+303
+ITEM: POSITIONS
+1, 1, 1.84047, 0.235512, 4.04485
+ITEM: TIME
+304
+ITEM: POSITIONS
+1, 1, 2.40863, 0.313932, 4.75516
+ITEM: TIME
+305
+ITEM: POSITIONS
+1, 1, 2.9388, 0.392275, 5
+ITEM: TIME
+306
+ITEM: POSITIONS
+1, 1, 3.42262, 0.470521, 4.75541
+ITEM: TIME
+307
+ITEM: POSITIONS
+1, 1, 3.85246, 0.548651, 4.04532
+ITEM: TIME
+308
+ITEM: POSITIONS
+1, 1, 4.22155, 0.626646, 2.93926
+ITEM: TIME
+309
+ITEM: POSITIONS
+1, 1, 4.52407, 0.704486, 1.54547
+ITEM: TIME
+310
+ITEM: POSITIONS
+1, 1, 4.75523, 0.782152, 0.000411306
+ITEM: TIME
+311
+ITEM: POSITIONS
+1, 1, 4.91141, 0.859625, -1.54469
+ITEM: TIME
+312
+ITEM: POSITIONS
+1, 1, 4.99012, 0.936886, -2.93859
+ITEM: TIME
+313
+ITEM: POSITIONS
+1, 1, 4.99014, 1.01392, -4.04484
+ITEM: TIME
+314
+ITEM: POSITIONS
+1, 1, 4.91147, 1.0907, -4.75515
+ITEM: TIME
+315
+ITEM: POSITIONS
+1, 1, 4.75533, 1.16721, -5
+ITEM: TIME
+316
+ITEM: POSITIONS
+1, 1, 4.52421, 1.24343, -4.75541
+ITEM: TIME
+317
+ITEM: POSITIONS
+1, 1, 4.22173, 1.31934, -4.04533
+ITEM: TIME
+318
+ITEM: POSITIONS
+1, 1, 3.85267, 1.39494, -2.93927
+ITEM: TIME
+319
+ITEM: POSITIONS
+1, 1, 3.42286, 1.47018, -1.54549
+ITEM: TIME
+320
+ITEM: POSITIONS
+1, 1, 2.93906, 1.54506, -0.000424574
+ITEM: TIME
+321
+ITEM: POSITIONS
+1, 1, 2.40892, 1.61957, 1.54468
+ITEM: TIME
+322
+ITEM: POSITIONS
+1, 1, 1.84078, 1.69367, 2.93858
+ITEM: TIME
+323
+ITEM: POSITIONS
+1, 1, 1.24362, 1.76735, 4.04483
+ITEM: TIME
+324
+ITEM: POSITIONS
+1, 1, 0.626837, 1.8406, 4.75515
+ITEM: TIME
+325
+ITEM: POSITIONS
+1, 1, 0.000172483, 1.9134, 5
+ITEM: TIME
+326
+ITEM: POSITIONS
+1, 1, -0.626495, 1.98572, 4.75542
+ITEM: TIME
+327
+ITEM: POSITIONS
+1, 1, -1.24328, 2.05755, 4.04534
+ITEM: TIME
+328
+ITEM: POSITIONS
+1, 1, -1.84046, 2.12888, 2.93928
+ITEM: TIME
+329
+ITEM: POSITIONS
+1, 1, -2.40862, 2.19968, 1.5455
+ITEM: TIME
+330
+ITEM: POSITIONS
+1, 1, -2.93878, 2.26993, 0.000437842
+ITEM: TIME
+331
+ITEM: POSITIONS
+1, 1, -3.42261, 2.33963, -1.54467
+ITEM: TIME
+332
+ITEM: POSITIONS
+1, 1, -3.85245, 2.40875, -2.93857
+ITEM: TIME
+333
+ITEM: POSITIONS
+1, 1, -4.22154, 2.47727, -4.04483
+ITEM: TIME
+334
+ITEM: POSITIONS
+1, 1, -4.52406, 2.54519, -4.75515
+ITEM: TIME
+335
+ITEM: POSITIONS
+1, 1, -4.75523, 2.61247, -5
+ITEM: TIME
+336
+ITEM: POSITIONS
+1, 1, -4.9114, 2.67912, -4.75542
+ITEM: TIME
+337
+ITEM: POSITIONS
+1, 1, -4.99012, 2.7451, -4.04535
+ITEM: TIME
+338
+ITEM: POSITIONS
+1, 1, -4.99014, 2.8104, -2.93929
+ITEM: TIME
+339
+ITEM: POSITIONS
+1, 1, -4.91147, 2.87501, -1.54551
+ITEM: TIME
+340
+ITEM: POSITIONS
+1, 1, -4.75534, 2.93891, -0.00045111
+ITEM: TIME
+341
+ITEM: POSITIONS
+1, 1, -4.52421, 3.00208, 1.54465
+ITEM: TIME
+342
+ITEM: POSITIONS
+1, 1, -4.22174, 3.06452, 2.93856
+ITEM: TIME
+343
+ITEM: POSITIONS
+1, 1, -3.85268, 3.1262, 4.04482
+ITEM: TIME
+344
+ITEM: POSITIONS
+1, 1, -3.42287, 3.1871, 4.75514
+ITEM: TIME
+345
+ITEM: POSITIONS
+1, 1, -2.93907, 3.24722, 5
+ITEM: TIME
+346
+ITEM: POSITIONS
+1, 1, -2.40893, 3.30654, 4.75542
+ITEM: TIME
+347
+ITEM: POSITIONS
+1, 1, -1.84079, 3.36505, 4.04536
+ITEM: TIME
+348
+ITEM: POSITIONS
+1, 1, -1.24363, 3.42272, 2.9393
+ITEM: TIME
+349
+ITEM: POSITIONS
+1, 1, -0.62685, 3.47955, 1.54553
+ITEM: TIME
+350
+ITEM: POSITIONS
+1, 1, -0.000185751, 3.53552, 0.000464378
+ITEM: TIME
+351
+ITEM: POSITIONS
+1, 1, 0.626481, 3.59062, -1.54464
+ITEM: TIME
+352
+ITEM: POSITIONS
+1, 1, 1.24327, 3.64483, -2.93855
+ITEM: TIME
+353
+ITEM: POSITIONS
+1, 1, 1.84045, 3.69814, -4.04481
+ITEM: TIME
+354
+ITEM: POSITIONS
+1, 1, 2.4086, 3.75054, -4.75514
+ITEM: TIME
+355
+ITEM: POSITIONS
+1, 1, 2.93877, 3.80201, -5
+ITEM: TIME
+356
+ITEM: POSITIONS
+1, 1, 3.4226, 3.85255, -4.75543
+ITEM: TIME
+357
+ITEM: POSITIONS
+1, 1, 3.85245, 3.90214, -4.04536
+ITEM: TIME
+358
+ITEM: POSITIONS
+1, 1, 4.22154, 3.95076, -2.93931
+ITEM: TIME
+359
+ITEM: POSITIONS
+1, 1, 4.52405, 3.99841, -1.54554
+ITEM: TIME
+360
+ITEM: POSITIONS
+1, 1, 4.75522, 4.04507, -0.000477646
+ITEM: TIME
+361
+ITEM: POSITIONS
+1, 1, 4.9114, 4.09073, 1.54463
+ITEM: TIME
+362
+ITEM: POSITIONS
+1, 1, 4.99012, 4.13539, 2.93854
+ITEM: TIME
+363
+ITEM: POSITIONS
+1, 1, 4.99015, 4.17902, 4.0448
+ITEM: TIME
+364
+ITEM: POSITIONS
+1, 1, 4.91147, 4.22163, 4.75513
+ITEM: TIME
+365
+ITEM: POSITIONS
+1, 1, 4.75534, 4.26319, 5
+ITEM: TIME
+366
+ITEM: POSITIONS
+1, 1, 4.52422, 4.3037, 4.75543
+ITEM: TIME
+367
+ITEM: POSITIONS
+1, 1, 4.22174, 4.34315, 4.04537
+ITEM: TIME
+368
+ITEM: POSITIONS
+1, 1, 3.85269, 4.38152, 2.93932
+ITEM: TIME
+369
+ITEM: POSITIONS
+1, 1, 3.42288, 4.41882, 1.54555
+ITEM: TIME
+370
+ITEM: POSITIONS
+1, 1, 2.93909, 4.45502, 0.000490914
+ITEM: TIME
+371
+ITEM: POSITIONS
+1, 1, 2.40894, 4.49013, -1.54462
+ITEM: TIME
+372
+ITEM: POSITIONS
+1, 1, 1.84081, 4.52412, -2.93853
+ITEM: TIME
+373
+ITEM: POSITIONS
+1, 1, 1.24364, 4.55701, -4.04479
+ITEM: TIME
+374
+ITEM: POSITIONS
+1, 1, 0.626863, 4.58876, -4.75513
+ITEM: TIME
+375
+ITEM: POSITIONS
+1, 1, 0.000199019, 4.61939, -5
+ITEM: TIME
+376
+ITEM: POSITIONS
+1, 1, -0.626468, 4.64887, -4.75544
+ITEM: TIME
+377
+ITEM: POSITIONS
+1, 1, -1.24326, 4.67721, -4.04538
+ITEM: TIME
+378
+ITEM: POSITIONS
+1, 1, -1.84044, 4.7044, -2.93933
+ITEM: TIME
+379
+ITEM: POSITIONS
+1, 1, -2.40859, 4.73042, -1.54556
+ITEM: TIME
+380
+ITEM: POSITIONS
+1, 1, -2.93876, 4.75527, -0.000504182
+ITEM: TIME
+381
+ITEM: POSITIONS
+1, 1, -3.42259, 4.77896, 1.5446
+ITEM: TIME
+382
+ITEM: POSITIONS
+1, 1, -3.85244, 4.80146, 2.93852
+ITEM: TIME
+383
+ITEM: POSITIONS
+1, 1, -4.22153, 4.82278, 4.04479
+ITEM: TIME
+384
+ITEM: POSITIONS
+1, 1, -4.52405, 4.84291, 4.75513
+ITEM: TIME
+385
+ITEM: POSITIONS
+1, 1, -4.75522, 4.86184, 5
+ITEM: TIME
+386
+ITEM: POSITIONS
+1, 1, -4.9114, 4.87958, 4.75544
+ITEM: TIME
+387
+ITEM: POSITIONS
+1, 1, -4.99012, 4.89611, 4.04539
+ITEM: TIME
+388
+ITEM: POSITIONS
+1, 1, -4.99015, 4.91143, 2.93934
+ITEM: TIME
+389
+ITEM: POSITIONS
+1, 1, -4.91147, 4.92554, 1.54558
+ITEM: TIME
+390
+ITEM: POSITIONS
+1, 1, -4.75535, 4.93844, 0.00051745
+ITEM: TIME
+391
+ITEM: POSITIONS
+1, 1, -4.52422, 4.95011, -1.54459
+ITEM: TIME
+392
+ITEM: POSITIONS
+1, 1, -4.22175, 4.96057, -2.93851
+ITEM: TIME
+393
+ITEM: POSITIONS
+1, 1, -3.8527, 4.9698, -4.04478
+ITEM: TIME
+394
+ITEM: POSITIONS
+1, 1, -3.42289, 4.97781, -4.75512
+ITEM: TIME
+395
+ITEM: POSITIONS
+1, 1, -2.9391, 4.98458, -5
+ITEM: TIME
+396
+ITEM: POSITIONS
+1, 1, -2.40895, 4.99013, -4.75544
+ITEM: TIME
+397
+ITEM: POSITIONS
+1, 1, -1.84082, 4.99445, -4.04539
+ITEM: TIME
+398
+ITEM: POSITIONS
+1, 1, -1.24365, 4.99753, -2.93935
+ITEM: TIME
+399
+ITEM: POSITIONS
+1, 1, -0.626876, 4.99938, -1.54559
+ITEM: TIME
+400
+ITEM: POSITIONS
+1, 1, -0.000212287, 5, -0.000530718
+ITEM: TIME
+401
+ITEM: POSITIONS
+1, 1, 0.626455, 4.99938, 1.54458
+ITEM: TIME
+402
+ITEM: POSITIONS
+1, 1, 1.24324, 4.99753, 2.93849
+ITEM: TIME
+403
+ITEM: POSITIONS
+1, 1, 1.84042, 4.99445, 4.04477
+ITEM: TIME
+404
+ITEM: POSITIONS
+1, 1, 2.40858, 4.99014, 4.75512
+ITEM: TIME
+405
+ITEM: POSITIONS
+1, 1, 2.93875, 4.98459, 5
+ITEM: TIME
+406
+ITEM: POSITIONS
+1, 1, 3.42258, 4.97781, 4.75545
+ITEM: TIME
+407
+ITEM: POSITIONS
+1, 1, 3.85243, 4.96981, 4.0454
+ITEM: TIME
+408
+ITEM: POSITIONS
+1, 1, 4.22152, 4.96058, 2.93936
+ITEM: TIME
+409
+ITEM: POSITIONS
+1, 1, 4.52404, 4.95012, 1.5456
+ITEM: TIME
+410
+ITEM: POSITIONS
+1, 1, 4.75522, 4.93845, 0.000543986
+ITEM: TIME
+411
+ITEM: POSITIONS
+1, 1, 4.9114, 4.92555, -1.54457
+ITEM: TIME
+412
+ITEM: POSITIONS
+1, 1, 4.99012, 4.91144, -2.93848
+ITEM: TIME
+413
+ITEM: POSITIONS
+1, 1, 4.99015, 4.89612, -4.04476
+ITEM: TIME
+414
+ITEM: POSITIONS
+1, 1, 4.91148, 4.87959, -4.75511
+ITEM: TIME
+415
+ITEM: POSITIONS
+1, 1, 4.75535, 4.86186, -5
+ITEM: TIME
+416
+ITEM: POSITIONS
+1, 1, 4.52423, 4.84292, -4.75545
+ITEM: TIME
+417
+ITEM: POSITIONS
+1, 1, 4.22176, 4.82279, -4.04541
+ITEM: TIME
+418
+ITEM: POSITIONS
+1, 1, 3.85271, 4.80148, -2.93937
+ITEM: TIME
+419
+ITEM: POSITIONS
+1, 1, 3.4229, 4.77897, -1.54561
+ITEM: TIME
+420
+ITEM: POSITIONS
+1, 1, 2.93911, 4.75529, -0.000557254
+ITEM: TIME
+421
+ITEM: POSITIONS
+1, 1, 2.40896, 4.73044, 1.54455
+ITEM: TIME
+422
+ITEM: POSITIONS
+1, 1, 1.84083, 4.70441, 2.93847
+ITEM: TIME
+423
+ITEM: POSITIONS
+1, 1, 1.24367, 4.67723, 4.04476
+ITEM: TIME
+424
+ITEM: POSITIONS
+1, 1, 0.626889, 4.64889, 4.75511
+ITEM: TIME
+425
+ITEM: POSITIONS
+1, 1, 0.000225555, 4.61941, 5
+ITEM: TIME
+426
+ITEM: POSITIONS
+1, 1, -0.626442, 4.58878, 4.75546
+ITEM: TIME
+427
+ITEM: POSITIONS
+1, 1, -1.24323, 4.55703, 4.04542
+ITEM: TIME
+428
+ITEM: POSITIONS
+1, 1, -1.84041, 4.52415, 2.93939
+ITEM: TIME
+429
+ITEM: POSITIONS
+1, 1, -2.40857, 4.49015, 1.54563
+ITEM: TIME
+430
+ITEM: POSITIONS
+1, 1, -2.93874, 4.45505, 0.000570522
+ITEM: TIME
+431
+ITEM: POSITIONS
+1, 1, -3.42257, 4.41884, -1.54454
+ITEM: TIME
+432
+ITEM: POSITIONS
+1, 1, -3.85242, 4.38155, -2.93846
+ITEM: TIME
+433
+ITEM: POSITIONS
+1, 1, -4.22152, 4.34317, -4.04475
+ITEM: TIME
+434
+ITEM: POSITIONS
+1, 1, -4.52404, 4.30372, -4.7551
+ITEM: TIME
+435
+ITEM: POSITIONS
+1, 1, -4.75521, 4.26322, -5
+ITEM: TIME
+436
+ITEM: POSITIONS
+1, 1, -4.91139, 4.22166, -4.75546
+ITEM: TIME
+437
+ITEM: POSITIONS
+1, 1, -4.99012, 4.17905, -4.04543
+ITEM: TIME
+438
+ITEM: POSITIONS
+1, 1, -4.99015, 4.13542, -2.9394
+ITEM: TIME
+439
+ITEM: POSITIONS
+1, 1, -4.91148, 4.09077, -1.54564
+ITEM: TIME
+440
+ITEM: POSITIONS
+1, 1, -4.75535, 4.0451, -0.00058379
+ITEM: TIME
+441
+ITEM: POSITIONS
+1, 1, -4.52423, 3.99844, 1.54453
+ITEM: TIME
+442
+ITEM: POSITIONS
+1, 1, -4.22177, 3.95079, 2.93845
+ITEM: TIME
+443
+ITEM: POSITIONS
+1, 1, -3.85272, 3.90217, 4.04474
+ITEM: TIME
+444
+ITEM: POSITIONS
+1, 1, -3.42291, 3.85258, 4.7551
+ITEM: TIME
+445
+ITEM: POSITIONS
+1, 1, -2.93912, 3.80205, 5
+ITEM: TIME
+446
+ITEM: POSITIONS
+1, 1, -2.40898, 3.75057, 4.75547
+ITEM: TIME
+447
+ITEM: POSITIONS
+1, 1, -1.84084, 3.69818, 4.04543
+ITEM: TIME
+448
+ITEM: POSITIONS
+1, 1, -1.24368, 3.64486, 2.93941
+ITEM: TIME
+449
+ITEM: POSITIONS
+1, 1, -0.626903, 3.59065, 1.54565
+ITEM: TIME
+450
+ITEM: POSITIONS
+1, 1, -0.000238823, 3.53556, 0.000597058
+ITEM: TIME
+451
+ITEM: POSITIONS
+1, 1, 0.626429, 3.47959, -1.54452
+ITEM: TIME
+452
+ITEM: POSITIONS
+1, 1, 1.24322, 3.42276, -2.93844
+ITEM: TIME
+453
+ITEM: POSITIONS
+1, 1, 1.8404, 3.36508, -4.04473
+ITEM: TIME
+454
+ITEM: POSITIONS
+1, 1, 2.40856, 3.30658, -4.7551
+ITEM: TIME
+455
+ITEM: POSITIONS
+1, 1, 2.93873, 3.24726, -5
+ITEM: TIME
+456
+ITEM: POSITIONS
+1, 1, 3.42256, 3.18714, -4.75547
+ITEM: TIME
+457
+ITEM: POSITIONS
+1, 1, 3.85241, 3.12624, -4.04544
+ITEM: TIME
+458
+ITEM: POSITIONS
+1, 1, 4.22151, 3.06456, -2.93942
+ITEM: TIME
+459
+ITEM: POSITIONS
+1, 1, 4.52403, 3.00213, -1.54566
+ITEM: TIME
+460
+ITEM: POSITIONS
+1, 1, 4.75521, 2.93895, -0.000610326
+ITEM: TIME
+461
+ITEM: POSITIONS
+1, 1, 4.91139, 2.87505, 1.5445
+ITEM: TIME
+462
+ITEM: POSITIONS
+1, 1, 4.99012, 2.81044, 2.93843
+ITEM: TIME
+463
+ITEM: POSITIONS
+1, 1, 4.99015, 2.74514, 4.04472
+ITEM: TIME
+464
+ITEM: POSITIONS
+1, 1, 4.91148, 2.67916, 4.75509
+ITEM: TIME
+465
+ITEM: POSITIONS
+1, 1, 4.75536, 2.61252, 5
+ITEM: TIME
+466
+ITEM: POSITIONS
+1, 1, 4.52424, 2.54523, 4.75547
+ITEM: TIME
+467
+ITEM: POSITIONS
+1, 1, 4.22177, 2.47732, 4.04545
+ITEM: TIME
+468
+ITEM: POSITIONS
+1, 1, 3.85272, 2.4088, 2.93943
+ITEM: TIME
+469
+ITEM: POSITIONS
+1, 1, 3.42292, 2.33968, 1.54568
+ITEM: TIME
+470
+ITEM: POSITIONS
+1, 1, 2.93913, 2.26998, 0.000623594
+ITEM: TIME
+471
+ITEM: POSITIONS
+1, 1, 2.40899, 2.19972, -1.54449
+ITEM: TIME
+472
+ITEM: POSITIONS
+1, 1, 1.84086, 2.12892, -2.93842
+ITEM: TIME
+473
+ITEM: POSITIONS
+1, 1, 1.24369, 2.0576, -4.04472
+ITEM: TIME
+474
+ITEM: POSITIONS
+1, 1, 0.626916, 1.98577, -4.75509
+ITEM: TIME
+475
+ITEM: POSITIONS
+1, 1, 0.000252091, 1.91345, -5
+ITEM: TIME
+476
+ITEM: POSITIONS
+1, 1, -0.626416, 1.84065, -4.75548
+ITEM: TIME
+477
+ITEM: POSITIONS
+1, 1, -1.2432, 1.7674, -4.04546
+ITEM: TIME
+478
+ITEM: POSITIONS
+1, 1, -1.84039, 1.69372, -2.93944
+ITEM: TIME
+479
+ITEM: POSITIONS
+1, 1, -2.40855, 1.61962, -1.54569
+ITEM: TIME
+480
+ITEM: POSITIONS
+1, 1, -2.93872, 1.54512, -0.000636862
+ITEM: TIME
+481
+ITEM: POSITIONS
+1, 1, -3.42255, 1.47023, 1.54448
+ITEM: TIME
+482
+ITEM: POSITIONS
+1, 1, -3.8524, 1.39499, 2.93841
+ITEM: TIME
+483
+ITEM: POSITIONS
+1, 1, -4.2215, 1.3194, 4.04471
+ITEM: TIME
+484
+ITEM: POSITIONS
+1, 1, -4.52403, 1.24348, 4.75508
+ITEM: TIME
+485
+ITEM: POSITIONS
+1, 1, -4.7552, 1.16726, 5
+ITEM: TIME
+486
+ITEM: POSITIONS
+1, 1, -4.91139, 1.09075, 4.75548
+ITEM: TIME
+487
+ITEM: POSITIONS
+1, 1, -4.99012, 1.01397, 4.04546
+ITEM: TIME
+488
+ITEM: POSITIONS
+1, 1, -4.99015, 0.936938, 2.93945
+ITEM: TIME
+489
+ITEM: POSITIONS
+1, 1, -4.91148, 0.859677, 1.5457
+ITEM: TIME
+490
+ITEM: POSITIONS
+1, 1, -4.75536, 0.782204, 0.000650129
+ITEM: TIME
+491
+ITEM: POSITIONS
+1, 1, -4.52425, 0.704538, -1.54447
+ITEM: TIME
+492
+ITEM: POSITIONS
+1, 1, -4.22178, 0.626699, -2.9384
+ITEM: TIME
+493
+ITEM: POSITIONS
+1, 1, -3.85273, 0.548704, -4.0447
+ITEM: TIME
+494
+ITEM: POSITIONS
+1, 1, -3.42293, 0.470574, -4.75508
+ITEM: TIME
+495
+ITEM: POSITIONS
+1, 1, -2.93914, 0.392328, -5
+ITEM: TIME
+496
+ITEM: POSITIONS
+1, 1, -2.409, 0.313985, -4.75549
+ITEM: TIME
+497
+ITEM: POSITIONS
+1, 1, -1.84087, 0.235565, -4.04547
+ITEM: TIME
+498
+ITEM: POSITIONS
+1, 1, -1.24371, 0.157087, -2.93946
+ITEM: TIME
+499
+ITEM: POSITIONS
+1, 1, -0.626929, 0.0785697, -1.54571
+ITEM: TIME
+500
+ITEM: POSITIONS
+1, 1, -0.000265359, 3.31699e-05, -0.000663397
+ITEM: TIME
+501
+ITEM: POSITIONS
+1, 1, 0.626402, -0.0785034, 1.54445
+ITEM: TIME
+502
+ITEM: POSITIONS
+1, 1, 1.24319, -0.157021, 2.93839
+ITEM: TIME
+503
+ITEM: POSITIONS
+1, 1, 1.84037, -0.235499, 4.04469
+ITEM: TIME
+504
+ITEM: POSITIONS
+1, 1, 2.40853, -0.313919, 4.75508
+ITEM: TIME
+505
+ITEM: POSITIONS
+1, 1, 2.93871, -0.392262, 5
+ITEM: TIME
+506
+ITEM: POSITIONS
+1, 1, 3.42254, -0.470508, 4.75549
+ITEM: TIME
+507
+ITEM: POSITIONS
+1, 1, 3.85239, -0.548638, 4.04548
+ITEM: TIME
+508
+ITEM: POSITIONS
+1, 1, 4.2215, -0.626633, 2.93947
+ITEM: TIME
+509
+ITEM: POSITIONS
+1, 1, 4.52402, -0.704473, 1.54573
+ITEM: TIME
+510
+ITEM: POSITIONS
+1, 1, 4.7552, -0.782139, 0.000676665
+ITEM: TIME
+511
+ITEM: POSITIONS
+1, 1, 4.91139, -0.859612, -1.54444
+ITEM: TIME
+512
+ITEM: POSITIONS
+1, 1, 4.99012, -0.936873, -2.93838
+ITEM: TIME
+513
+ITEM: POSITIONS
+1, 1, 4.99015, -1.0139, -4.04468
+ITEM: TIME
+514
+ITEM: POSITIONS
+1, 1, 4.91149, -1.09068, -4.75507
+ITEM: TIME
+515
+ITEM: POSITIONS
+1, 1, 4.75537, -1.16719, -5
+ITEM: TIME
+516
+ITEM: POSITIONS
+1, 1, 4.52425, -1.24342, -4.75549
+ITEM: TIME
+517
+ITEM: POSITIONS
+1, 1, 4.22179, -1.31933, -4.04549
+ITEM: TIME
+518
+ITEM: POSITIONS
+1, 1, 3.85274, -1.39492, -2.93948
+ITEM: TIME
+519
+ITEM: POSITIONS
+1, 1, 3.42294, -1.47017, -1.54574
+ITEM: TIME
+520
+ITEM: POSITIONS
+1, 1, 2.93915, -1.54505, -0.000689933
+ITEM: TIME
+521
+ITEM: POSITIONS
+1, 1, 2.40901, -1.61955, 1.54443
+ITEM: TIME
+522
+ITEM: POSITIONS
+1, 1, 1.84088, -1.69366, 2.93837
+ITEM: TIME
+523
+ITEM: POSITIONS
+1, 1, 1.24372, -1.76734, 4.04468
+ITEM: TIME
+524
+ITEM: POSITIONS
+1, 1, 0.626942, -1.84059, 4.75507
+ITEM: TIME
+525
+ITEM: POSITIONS
+1, 1, 0.000278627, -1.91338, 5
+ITEM: TIME
+526
+ITEM: POSITIONS
+1, 1, -0.626389, -1.98571, 4.7555
+ITEM: TIME
+527
+ITEM: POSITIONS
+1, 1, -1.24318, -2.05754, 4.0455
+ITEM: TIME
+528
+ITEM: POSITIONS
+1, 1, -1.84036, -2.12886, 2.93949
+ITEM: TIME
+529
+ITEM: POSITIONS
+1, 1, -2.40852, -2.19966, 1.54575
+ITEM: TIME
+530
+ITEM: POSITIONS
+1, 1, -2.9387, -2.26992, 0.000703201
+ITEM: TIME
+531
+ITEM: POSITIONS
+1, 1, -3.42253, -2.33962, -1.54441
+ITEM: TIME
+532
+ITEM: POSITIONS
+1, 1, -3.85239, -2.40874, -2.93836
+ITEM: TIME
+533
+ITEM: POSITIONS
+1, 1, -4.22149, -2.47726, -4.04467
+ITEM: TIME
+534
+ITEM: POSITIONS
+1, 1, -4.52401, -2.54518, -4.75506
+ITEM: TIME
+535
+ITEM: POSITIONS
+1, 1, -4.75519, -2.61246, -5
+ITEM: TIME
+536
+ITEM: POSITIONS
+1, 1, -4.91138, -2.6791, -4.7555
+ITEM: TIME
+537
+ITEM: POSITIONS
+1, 1, -4.99012, -2.74508, -4.0455
+ITEM: TIME
+538
+ITEM: POSITIONS
+1, 1, -4.99015, -2.81039, -2.9395
+ITEM: TIME
+539
+ITEM: POSITIONS
+1, 1, -4.91149, -2.875, -1.54577
+ITEM: TIME
+540
+ITEM: POSITIONS
+1, 1, -4.75537, -2.9389, -0.000716469
+ITEM: TIME
+541
+ITEM: POSITIONS
+1, 1, -4.52426, -3.00207, 1.5444
+ITEM: TIME
+542
+ITEM: POSITIONS
+1, 1, -4.22179, -3.06451, 2.93834
+ITEM: TIME
+543
+ITEM: POSITIONS
+1, 1, -3.85275, -3.12619, 4.04466
+ITEM: TIME
+544
+ITEM: POSITIONS
+1, 1, -3.42295, -3.18709, 4.75506
+ITEM: TIME
+545
+ITEM: POSITIONS
+1, 1, -2.93916, -3.24721, 5
+ITEM: TIME
+546
+ITEM: POSITIONS
+1, 1, -2.40902, -3.30653, 4.75551
+ITEM: TIME
+547
+ITEM: POSITIONS
+1, 1, -1.84089, -3.36504, 4.04551
+ITEM: TIME
+548
+ITEM: POSITIONS
+1, 1, -1.24373, -3.42271, 2.93951
+ITEM: TIME
+549
+ITEM: POSITIONS
+1, 1, -0.626955, -3.47954, 1.54578
+ITEM: TIME
+550
+ITEM: POSITIONS
+1, 1, -0.000291895, -3.53551, 0.000729737
+ITEM: TIME
+551
+ITEM: POSITIONS
+1, 1, 0.626376, -3.59061, -1.54439
+ITEM: TIME
+552
+ITEM: POSITIONS
+1, 1, 1.24317, -3.64482, -2.93833
+ITEM: TIME
+553
+ITEM: POSITIONS
+1, 1, 1.84035, -3.69813, -4.04465
+ITEM: TIME
+554
+ITEM: POSITIONS
+1, 1, 2.40851, -3.75053, -4.75506
+ITEM: TIME
+555
+ITEM: POSITIONS
+1, 1, 2.93869, -3.80201, -5
+ITEM: TIME
+556
+ITEM: POSITIONS
+1, 1, 3.42252, -3.85254, -4.75551
+ITEM: TIME
+557
+ITEM: POSITIONS
+1, 1, 3.85238, -3.90213, -4.04552
+ITEM: TIME
+558
+ITEM: POSITIONS
+1, 1, 4.22148, -3.95075, -2.93953
+ITEM: TIME
+559
+ITEM: POSITIONS
+1, 1, 4.52401, -3.9984, -1.54579
+ITEM: TIME
+560
+ITEM: POSITIONS
+1, 1, 4.75519, -4.04506, -0.000743005
+ITEM: TIME
+561
+ITEM: POSITIONS
+1, 1, 4.91138, -4.09073, 1.54438
+ITEM: TIME
+562
+ITEM: POSITIONS
+1, 1, 4.99011, -4.13538, 2.93832
+ITEM: TIME
+563
+ITEM: POSITIONS
+1, 1, 4.99015, -4.17902, 4.04465
+ITEM: TIME
+564
+ITEM: POSITIONS
+1, 1, 4.91149, -4.22162, 4.75505
+ITEM: TIME
+565
+ITEM: POSITIONS
+1, 1, 4.75538, -4.26318, 5
+ITEM: TIME
+566
+ITEM: POSITIONS
+1, 1, 4.52426, -4.30369, 4.75551
+ITEM: TIME
+567
+ITEM: POSITIONS
+1, 1, 4.2218, -4.34314, 4.04553
+ITEM: TIME
+568
+ITEM: POSITIONS
+1, 1, 3.85276, -4.38152, 2.93954
+ITEM: TIME
+569
+ITEM: POSITIONS
+1, 1, 3.42296, -4.41881, 1.5458
+ITEM: TIME
+570
+ITEM: POSITIONS
+1, 1, 2.93917, -4.45502, 0.000756273
+ITEM: TIME
+571
+ITEM: POSITIONS
+1, 1, 2.40903, -4.49012, -1.54436
+ITEM: TIME
+572
+ITEM: POSITIONS
+1, 1, 1.84091, -4.52412, -2.93831
+ITEM: TIME
+573
+ITEM: POSITIONS
+1, 1, 1.24374, -4.557, -4.04464
+ITEM: TIME
+574
+ITEM: POSITIONS
+1, 1, 0.626968, -4.58876, -4.75505
+ITEM: TIME
+575
+ITEM: POSITIONS
+1, 1, 0.000305163, -4.61938, -5
+ITEM: TIME
+576
+ITEM: POSITIONS
+1, 1, -0.626363, -4.64887, -4.75552
+ITEM: TIME
+577
+ITEM: POSITIONS
+1, 1, -1.24315, -4.67721, -4.04553
+ITEM: TIME
+578
+ITEM: POSITIONS
+1, 1, -1.84034, -4.70439, -2.93955
+ITEM: TIME
+579
+ITEM: POSITIONS
+1, 1, -2.4085, -4.73041, -1.54582
+ITEM: TIME
+580
+ITEM: POSITIONS
+1, 1, -2.93868, -4.75527, -0.000769541
+ITEM: TIME
+581
+ITEM: POSITIONS
+1, 1, -3.42251, -4.77895, 1.54435
+ITEM: TIME
+582
+ITEM: POSITIONS
+1, 1, -3.85237, -4.80146, 2.9383
+ITEM: TIME
+583
+ITEM: POSITIONS
+1, 1, -4.22147, -4.82278, 4.04463
+ITEM: TIME
+584
+ITEM: POSITIONS
+1, 1, -4.524, -4.84291, 4.75504
+ITEM: TIME
+585
+ITEM: POSITIONS
+1, 1, -4.75519, -4.86184, 5
+ITEM: TIME
+586
+ITEM: POSITIONS
+1, 1, -4.91138, -4.87958, 4.75552
+ITEM: TIME
+587
+ITEM: POSITIONS
+1, 1, -4.99011, -4.89611, 4.04554
+ITEM: TIME
+588
+ITEM: POSITIONS
+1, 1, -4.99015, -4.91143, 2.93956
+ITEM: TIME
+589
+ITEM: POSITIONS
+1, 1, -4.91149, -4.92554, 1.54583
+ITEM: TIME
+590
+ITEM: POSITIONS
+1, 1, -4.75538, -4.93844, 0.000782809
+ITEM: TIME
+591
+ITEM: POSITIONS
+1, 1, -4.52427, -4.95011, -1.54434
+ITEM: TIME
+592
+ITEM: POSITIONS
+1, 1, -4.22181, -4.96057, -2.93829
+ITEM: TIME
+593
+ITEM: POSITIONS
+1, 1, -3.85277, -4.9698, -4.04462
+ITEM: TIME
+594
+ITEM: POSITIONS
+1, 1, -3.42297, -4.97781, -4.75504
+ITEM: TIME
+595
+ITEM: POSITIONS
+1, 1, -2.93918, -4.98458, -5
+ITEM: TIME
+596
+ITEM: POSITIONS
+1, 1, -2.40905, -4.99013, -4.75553
+ITEM: TIME
+597
+ITEM: POSITIONS
+1, 1, -1.84092, -4.99445, -4.04555
+ITEM: TIME
+598
+ITEM: POSITIONS
+1, 1, -1.24376, -4.99753, -2.93957
+ITEM: TIME
+599
+ITEM: POSITIONS
+1, 1, -0.626982, -4.99938, -1.54584
+ITEM: TIME
+600
+ITEM: POSITIONS
+1, 1, -0.000318431, -5, -0.000796077
+ITEM: TIME
+601
+ITEM: POSITIONS
+1, 1, 0.62635, -4.99938, 1.54433
+ITEM: TIME
+602
+ITEM: POSITIONS
+1, 1, 1.24314, -4.99753, 2.93828
+ITEM: TIME
+603
+ITEM: POSITIONS
+1, 1, 1.84033, -4.99445, 4.04461
+ITEM: TIME
+604
+ITEM: POSITIONS
+1, 1, 2.40849, -4.99014, 4.75503
+ITEM: TIME
+605
+ITEM: POSITIONS
+1, 1, 2.93867, -4.98459, 5
+ITEM: TIME
+606
+ITEM: POSITIONS
+1, 1, 3.4225, -4.97781, 4.75553
+ITEM: TIME
+607
+ITEM: POSITIONS
+1, 1, 3.85236, -4.96981, 4.04556
+ITEM: TIME
+608
+ITEM: POSITIONS
+1, 1, 4.22147, -4.96058, 2.93958
+ITEM: TIME
+609
+ITEM: POSITIONS
+1, 1, 4.524, -4.95012, 1.54585
+ITEM: TIME
+610
+ITEM: POSITIONS
+1, 1, 4.75518, -4.93845, 0.000809345
+ITEM: TIME
+611
+ITEM: POSITIONS
+1, 1, 4.91138, -4.92555, -1.54431
+ITEM: TIME
+612
+ITEM: POSITIONS
+1, 1, 4.99011, -4.91144, -2.93827
+ITEM: TIME
+613
+ITEM: POSITIONS
+1, 1, 4.99015, -4.89612, -4.04461
+ITEM: TIME
+614
+ITEM: POSITIONS
+1, 1, 4.9115, -4.87959, -4.75503
+ITEM: TIME
+615
+ITEM: POSITIONS
+1, 1, 4.75538, -4.86186, -5
+ITEM: TIME
+616
+ITEM: POSITIONS
+1, 1, 4.52427, -4.84293, -4.75554
+ITEM: TIME
+617
+ITEM: POSITIONS
+1, 1, 4.22182, -4.8228, -4.04557
+ITEM: TIME
+618
+ITEM: POSITIONS
+1, 1, 3.85278, -4.80148, -2.93959
+ITEM: TIME
+619
+ITEM: POSITIONS
+1, 1, 3.42297, -4.77898, -1.54587
+ITEM: TIME
+620
+ITEM: POSITIONS
+1, 1, 2.93919, -4.7553, -0.000822613
+ITEM: TIME
+621
+ITEM: POSITIONS
+1, 1, 2.40906, -4.73044, 1.5443
+ITEM: TIME
+622
+ITEM: POSITIONS
+1, 1, 1.84093, -4.70442, 2.93826
+ITEM: TIME
+623
+ITEM: POSITIONS
+1, 1, 1.24377, -4.67723, 4.0446
+ITEM: TIME
+624
+ITEM: POSITIONS
+1, 1, 0.626995, -4.6489, 4.75503
+ITEM: TIME
+625
+ITEM: POSITIONS
+1, 1, 0.000331699, -4.61941, 5
+ITEM: TIME
+626
+ITEM: POSITIONS
+1, 1, -0.626337, -4.58879, 4.75554
+ITEM: TIME
+627
+ITEM: POSITIONS
+1, 1, -1.24313, -4.55703, 4.04557
+ITEM: TIME
+628
+ITEM: POSITIONS
+1, 1, -1.84031, -4.52415, 2.9396
+ITEM: TIME
+629
+ITEM: POSITIONS
+1, 1, -2.40848, -4.49016, 1.54588
+ITEM: TIME
+630
+ITEM: POSITIONS
+1, 1, -2.93866, -4.45505, 0.000835881
+ITEM: TIME
+631
+ITEM: POSITIONS
+1, 1, -3.42249, -4.41885, -1.54429
+ITEM: TIME
+632
+ITEM: POSITIONS
+1, 1, -3.85235, -4.38155, -2.93825
+ITEM: TIME
+633
+ITEM: POSITIONS
+1, 1, -4.22146, -4.34318, -4.04459
+ITEM: TIME
+634
+ITEM: POSITIONS
+1, 1, -4.52399, -4.30373, -4.75502
+ITEM: TIME
+635
+ITEM: POSITIONS
+1, 1, -4.75518, -4.26322, -5
+ITEM: TIME
+636
+ITEM: POSITIONS
+1, 1, -4.91137, -4.22166, -4.75554
+ITEM: TIME
+637
+ITEM: POSITIONS
+1, 1, -4.99011, -4.17906, -4.04558
+ITEM: TIME
+638
+ITEM: POSITIONS
+1, 1, -4.99015, -4.13543, -2.93961
+ITEM: TIME
+639
+ITEM: POSITIONS
+1, 1, -4.9115, -4.09077, -1.54589
+ITEM: TIME
+640
+ITEM: POSITIONS
+1, 1, -4.75539, -4.04511, -0.000849149
+ITEM: TIME
+641
+ITEM: POSITIONS
+1, 1, -4.52428, -3.99845, 1.54428
+ITEM: TIME
+642
+ITEM: POSITIONS
+1, 1, -4.22182, -3.9508, 2.93824
+ITEM: TIME
+643
+ITEM: POSITIONS
+1, 1, -3.85278, -3.90218, 4.04458
+ITEM: TIME
+644
+ITEM: POSITIONS
+1, 1, -3.42298, -3.85259, 4.75502
+ITEM: TIME
+645
+ITEM: POSITIONS
+1, 1, -2.9392, -3.80206, 5
+ITEM: TIME
+646
+ITEM: POSITIONS
+1, 1, -2.40907, -3.75058, 4.75555
+ITEM: TIME
+647
+ITEM: POSITIONS
+1, 1, -1.84094, -3.69818, 4.04559
+ITEM: TIME
+648
+ITEM: POSITIONS
+1, 1, -1.24378, -3.64487, 2.93962
+ITEM: TIME
+649
+ITEM: POSITIONS
+1, 1, -0.627008, -3.59066, 1.5459
+ITEM: TIME
+650
+ITEM: POSITIONS
+1, 1, -0.000344967, -3.53556, 0.000862417
+ITEM: TIME
+651
+ITEM: POSITIONS
+1, 1, 0.626323, -3.47959, -1.54426
+ITEM: TIME
+652
+ITEM: POSITIONS
+1, 1, 1.24311, -3.42277, -2.93823
+ITEM: TIME
+653
+ITEM: POSITIONS
+1, 1, 1.8403, -3.36509, -4.04458
+ITEM: TIME
+654
+ITEM: POSITIONS
+1, 1, 2.40846, -3.30659, -4.75501
+ITEM: TIME
+655
+ITEM: POSITIONS
+1, 1, 2.93865, -3.24727, -5
+ITEM: TIME
+656
+ITEM: POSITIONS
+1, 1, 3.42248, -3.18715, -4.75555
+ITEM: TIME
+657
+ITEM: POSITIONS
+1, 1, 3.85234, -3.12625, -4.0456
+ITEM: TIME
+658
+ITEM: POSITIONS
+1, 1, 4.22145, -3.06457, -2.93963
+ITEM: TIME
+659
+ITEM: POSITIONS
+1, 1, 4.52399, -3.00214, -1.54592
+ITEM: TIME
+660
+ITEM: POSITIONS
+1, 1, 4.75517, -2.93896, -0.000875685
+ITEM: TIME
+661
+ITEM: POSITIONS
+1, 1, 4.91137, -2.87506, 1.54425
+ITEM: TIME
+662
+ITEM: POSITIONS
+1, 1, 4.99011, -2.81045, 2.93822
+ITEM: TIME
+663
+ITEM: POSITIONS
+1, 1, 4.99016, -2.74515, 4.04457
+ITEM: TIME
+664
+ITEM: POSITIONS
+1, 1, 4.9115, -2.67917, 4.75501
+ITEM: TIME
+665
+ITEM: POSITIONS
+1, 1, 4.75539, -2.61253, 5
+ITEM: TIME
+666
+ITEM: POSITIONS
+1, 1, 4.52429, -2.54525, 4.75556
+ITEM: TIME
+667
+ITEM: POSITIONS
+1, 1, 4.22183, -2.47733, 4.04561
+ITEM: TIME
+668
+ITEM: POSITIONS
+1, 1, 3.85279, -2.40881, 2.93964
+ITEM: TIME
+669
+ITEM: POSITIONS
+1, 1, 3.42299, -2.33969, 1.54593
+ITEM: TIME
+670
+ITEM: POSITIONS
+1, 1, 2.93921, -2.26999, 0.000888953
+ITEM: TIME
+671
+ITEM: POSITIONS
+1, 1, 2.40908, -2.19974, -1.54424
+ITEM: TIME
+672
+ITEM: POSITIONS
+1, 1, 1.84095, -2.12894, -2.9382
+ITEM: TIME
+673
+ITEM: POSITIONS
+1, 1, 1.2438, -2.05761, -4.04456
+ITEM: TIME
+674
+ITEM: POSITIONS
+1, 1, 0.627021, -1.98578, -4.75501
+ITEM: TIME
+675
+ITEM: POSITIONS
+1, 1, 0.000358235, -1.91346, -5
+ITEM: TIME
+676
+ITEM: POSITIONS
+1, 1, -0.62631, -1.84066, -4.75556
+ITEM: TIME
+677
+ITEM: POSITIONS
+1, 1, -1.2431, -1.76742, -4.04561
+ITEM: TIME
+678
+ITEM: POSITIONS
+1, 1, -1.84029, -1.69373, -2.93965
+ITEM: TIME
+679
+ITEM: POSITIONS
+1, 1, -2.40845, -1.61963, -1.54594
+ITEM: TIME
+680
+ITEM: POSITIONS
+1, 1, -2.93863, -1.54513, -0.000902221
+ITEM: TIME
+681
+ITEM: POSITIONS
+1, 1, -3.42247, -1.47024, 1.54423
+ITEM: TIME
+682
+ITEM: POSITIONS
+1, 1, -3.85234, -1.395, 2.93819
+ITEM: TIME
+683
+ITEM: POSITIONS
+1, 1, -4.22145, -1.31941, 4.04455
+ITEM: TIME
+684
+ITEM: POSITIONS
+1, 1, -4.52398, -1.24349, 4.755
+ITEM: TIME
+685
+ITEM: POSITIONS
+1, 1, -4.75517, -1.16727, 5
+ITEM: TIME
+686
+ITEM: POSITIONS
+1, 1, -4.91137, -1.09076, 4.75556
+ITEM: TIME
+687
+ITEM: POSITIONS
+1, 1, -4.99011, -1.01398, 4.04562
+ITEM: TIME
+688
+ITEM: POSITIONS
+1, 1, -4.99016, -0.936951, 2.93966
+ITEM: TIME
+689
+ITEM: POSITIONS
+1, 1, -4.9115, -0.859691, 1.54595
+ITEM: TIME
+690
+ITEM: POSITIONS
+1, 1, -4.7554, -0.782218, 0.000915488
+ITEM: TIME
+691
+ITEM: POSITIONS
+1, 1, -4.52429, -0.704552, -1.54421
+ITEM: TIME
+692
+ITEM: POSITIONS
+1, 1, -4.22184, -0.626712, -2.93818
+ITEM: TIME
+693
+ITEM: POSITIONS
+1, 1, -3.8528, -0.548717, -4.04454
+ITEM: TIME
+694
+ITEM: POSITIONS
+1, 1, -3.423, -0.470587, -4.755
+ITEM: TIME
+695
+ITEM: POSITIONS
+1, 1, -2.93922, -0.392341, -5
+ITEM: TIME
+696
+ITEM: POSITIONS
+1, 1, -2.40909, -0.313999, -4.75557
+ITEM: TIME
+697
+ITEM: POSITIONS
+1, 1, -1.84097, -0.235578, -4.04563
+ITEM: TIME
+698
+ITEM: POSITIONS
+1, 1, -1.24381, -0.1571, -2.93968
+ITEM: TIME
+699
+ITEM: POSITIONS
+1, 1, -0.627034, -0.078583, -1.54597
+ITEM: TIME
+700
+ITEM: POSITIONS
+1, 1, -0.000371503, -4.64378e-05, -0.000928756
+ITEM: TIME
+701
+ITEM: POSITIONS
+1, 1, 0.626297, 0.0784901, 1.5442
+ITEM: TIME
+702
+ITEM: POSITIONS
+1, 1, 1.24309, 0.157007, 2.93817
+ITEM: TIME
+703
+ITEM: POSITIONS
+1, 1, 1.84028, 0.235486, 4.04454
+ITEM: TIME
+704
+ITEM: POSITIONS
+1, 1, 2.40844, 0.313906, 4.75499
+ITEM: TIME
+705
+ITEM: POSITIONS
+1, 1, 2.93862, 0.392249, 5
+ITEM: TIME
+706
+ITEM: POSITIONS
+1, 1, 3.42246, 0.470495, 4.75557
+ITEM: TIME
+707
+ITEM: POSITIONS
+1, 1, 3.85233, 0.548625, 4.04564
+ITEM: TIME
+708
+ITEM: POSITIONS
+1, 1, 4.22144, 0.62662, 2.93969
+ITEM: TIME
+709
+ITEM: POSITIONS
+1, 1, 4.52398, 0.70446, 1.54598
+ITEM: TIME
+710
+ITEM: POSITIONS
+1, 1, 4.75517, 0.782126, 0.000942024
+ITEM: TIME
+711
+ITEM: POSITIONS
+1, 1, 4.91137, 0.859599, -1.54419
+ITEM: TIME
+712
+ITEM: POSITIONS
+1, 1, 4.99011, 0.93686, -2.93816
+ITEM: TIME
+713
+ITEM: POSITIONS
+1, 1, 4.99016, 1.01389, -4.04453
+ITEM: TIME
+714
+ITEM: POSITIONS
+1, 1, 4.91151, 1.09067, -4.75499
+ITEM: TIME
+715
+ITEM: POSITIONS
+1, 1, 4.7554, 1.16718, -5
+ITEM: TIME
+716
+ITEM: POSITIONS
+1, 1, 4.5243, 1.2434, -4.75558
+ITEM: TIME
+717
+ITEM: POSITIONS
+1, 1, 4.22184, 1.31932, -4.04564
+ITEM: TIME
+718
+ITEM: POSITIONS
+1, 1, 3.85281, 1.39491, -2.9397
+ITEM: TIME
+719
+ITEM: POSITIONS
+1, 1, 3.42301, 1.47016, -1.54599
+ITEM: TIME
+720
+ITEM: POSITIONS
+1, 1, 2.93924, 1.54504, -0.000955292
+ITEM: TIME
+721
+ITEM: POSITIONS
+1, 1, 2.4091, 1.61954, 1.54418
+ITEM: TIME
+722
+ITEM: POSITIONS
+1, 1, 1.84098, 1.69364, 2.93815
+ITEM: TIME
+723
+ITEM: POSITIONS
+1, 1, 1.24382, 1.76733, 4.04452
+ITEM: TIME
+724
+ITEM: POSITIONS
+1, 1, 0.627047, 1.84058, 4.75499
+ITEM: TIME
+725
+ITEM: POSITIONS
+1, 1, 0.000384771, 1.91337, 5
+ITEM: TIME
+726
+ITEM: POSITIONS
+1, 1, -0.626284, 1.9857, 4.75558
+ITEM: TIME
+727
+ITEM: POSITIONS
+1, 1, -1.24308, 2.05753, 4.04565
+ITEM: TIME
+728
+ITEM: POSITIONS
+1, 1, -1.84026, 2.12885, 2.93971
+ITEM: TIME
+729
+ITEM: POSITIONS
+1, 1, -2.40843, 2.19965, 1.546
+ITEM: TIME
+730
+ITEM: POSITIONS
+1, 1, -2.93861, 2.26991, 0.00096856
+ITEM: TIME
+731
+ITEM: POSITIONS
+1, 1, -3.42245, 2.33961, -1.54416
+ITEM: TIME
+732
+ITEM: POSITIONS
+1, 1, -3.85232, 2.40873, -2.93814
+ITEM: TIME
+733
+ITEM: POSITIONS
+1, 1, -4.22143, 2.47725, -4.04451
+ITEM: TIME
+734
+ITEM: POSITIONS
+1, 1, -4.52397, 2.54517, -4.75498
+ITEM: TIME
+735
+ITEM: POSITIONS
+1, 1, -4.75516, 2.61245, -5
+ITEM: TIME
+736
+ITEM: POSITIONS
+1, 1, -4.91136, 2.67909, -4.75558
+ITEM: TIME
+737
+ITEM: POSITIONS
+1, 1, -4.99011, 2.74507, -4.04566
+ITEM: TIME
+738
+ITEM: POSITIONS
+1, 1, -4.99016, 2.81038, -2.93972
+ITEM: TIME
+739
+ITEM: POSITIONS
+1, 1, -4.91151, 2.87499, -1.54602
+ITEM: TIME
+740
+ITEM: POSITIONS
+1, 1, -4.7554, 2.93889, -0.000981828
+ITEM: TIME
+741
+ITEM: POSITIONS
+1, 1, -4.5243, 3.00206, 1.54415
+ITEM: TIME
+742
+ITEM: POSITIONS
+1, 1, -4.22185, 3.0645, 2.93813
+ITEM: TIME
+743
+ITEM: POSITIONS
+1, 1, -3.85282, 3.12617, 4.04451
+ITEM: TIME
+744
+ITEM: POSITIONS
+1, 1, -3.42302, 3.18708, 4.75498
+ITEM: TIME
+745
+ITEM: POSITIONS
+1, 1, -2.93925, 3.2472, 5
+ITEM: TIME
+746
+ITEM: POSITIONS
+1, 1, -2.40912, 3.30652, 4.75559
+ITEM: TIME
+747
+ITEM: POSITIONS
+1, 1, -1.84099, 3.36503, 4.04567
+ITEM: TIME
+748
+ITEM: POSITIONS
+1, 1, -1.24383, 3.4227, 2.93973
+ITEM: TIME
+749
+ITEM: POSITIONS
+1, 1, -0.627061, 3.47953, 1.54603
+ITEM: TIME
+750
+ITEM: POSITIONS
+1, 1, -0.000398038, 3.5355, 0.000995096
+ITEM: TIME
+751
+ITEM: POSITIONS
+1, 1, 0.626271, 3.5906, -1.54414
+ITEM: TIME
+752
+ITEM: POSITIONS
+1, 1, 1.24306, 3.64481, -2.93812
+ITEM: TIME
+753
+ITEM: POSITIONS
+1, 1, 1.84025, 3.69812, -4.0445
+ITEM: TIME
+754
+ITEM: POSITIONS
+1, 1, 2.40842, 3.75052, -4.75497
+ITEM: TIME
+755
+ITEM: POSITIONS
+1, 1, 2.9386, 3.802, -5
+ITEM: TIME
+756
+ITEM: POSITIONS
+1, 1, 3.42244, 3.85253, -4.75559
+ITEM: TIME
+757
+ITEM: POSITIONS
+1, 1, 3.85231, 3.90212, -4.04568
+ITEM: TIME
+758
+ITEM: POSITIONS
+1, 1, 4.22142, 3.95074, -2.93974
+ITEM: TIME
+759
+ITEM: POSITIONS
+1, 1, 4.52396, 3.99839, -1.54604
+ITEM: TIME
+760
+ITEM: POSITIONS
+1, 1, 4.75516, 4.04506, -0.00100836
+ITEM: TIME
+761
+ITEM: POSITIONS
+1, 1, 4.91136, 4.09072, 1.54412
+ITEM: TIME
+762
+ITEM: POSITIONS
+1, 1, 4.99011, 4.13537, 2.93811
+ITEM: TIME
+763
+ITEM: POSITIONS
+1, 1, 4.99016, 4.17901, 4.04449
+ITEM: TIME
+764
+ITEM: POSITIONS
+1, 1, 4.91151, 4.22161, 4.75497
+ITEM: TIME
+765
+ITEM: POSITIONS
+1, 1, 4.75541, 4.26317, 5
+ITEM: TIME
+766
+ITEM: POSITIONS
+1, 1, 4.52431, 4.30368, 4.7556
+ITEM: TIME
+767
+ITEM: POSITIONS
+1, 1, 4.22186, 4.34313, 4.04568
+ITEM: TIME
+768
+ITEM: POSITIONS
+1, 1, 3.85283, 4.38151, 2.93975
+ITEM: TIME
+769
+ITEM: POSITIONS
+1, 1, 3.42303, 4.4188, 1.54606
+ITEM: TIME
+770
+ITEM: POSITIONS
+1, 1, 2.93926, 4.45501, 0.00102163
+ITEM: TIME
+771
+ITEM: POSITIONS
+1, 1, 2.40913, 4.49012, -1.54411
+ITEM: TIME
+772
+ITEM: POSITIONS
+1, 1, 1.841, 4.52411, -2.9381
+ITEM: TIME
+773
+ITEM: POSITIONS
+1, 1, 1.24385, 4.557, -4.04448
+ITEM: TIME
+774
+ITEM: POSITIONS
+1, 1, 0.627074, 4.58875, -4.75497
+ITEM: TIME
+775
+ITEM: POSITIONS
+1, 1, 0.000411306, 4.61938, -5
+ITEM: TIME
+776
+ITEM: POSITIONS
+1, 1, -0.626258, 4.64886, -4.7556
+ITEM: TIME
+777
+ITEM: POSITIONS
+1, 1, -1.24305, 4.6772, -4.04569
+ITEM: TIME
+778
+ITEM: POSITIONS
+1, 1, -1.84024, 4.70439, -2.93976
+ITEM: TIME
+779
+ITEM: POSITIONS
+1, 1, -2.40841, 4.73041, -1.54607
+ITEM: TIME
+780
+ITEM: POSITIONS
+1, 1, -2.93859, 4.75527, -0.0010349
+ITEM: TIME
+781
+ITEM: POSITIONS
+1, 1, -3.42243, 4.77895, 1.5441
+ITEM: TIME
+782
+ITEM: POSITIONS
+1, 1, -3.8523, 4.80145, 2.93809
+ITEM: TIME
+783
+ITEM: POSITIONS
+1, 1, -4.22142, 4.82277, 4.04447
+ITEM: TIME
+784
+ITEM: POSITIONS
+1, 1, -4.52396, 4.8429, 4.75496
+ITEM: TIME
+785
+ITEM: POSITIONS
+1, 1, -4.75515, 4.86184, 5
+ITEM: TIME
+786
+ITEM: POSITIONS
+1, 1, -4.91136, 4.87957, 4.7556
+ITEM: TIME
+787
+ITEM: POSITIONS
+1, 1, -4.99011, 4.8961, 4.0457
+ITEM: TIME
+788
+ITEM: POSITIONS
+1, 1, -4.99016, 4.91143, 2.93977
+ITEM: TIME
+789
+ITEM: POSITIONS
+1, 1, -4.91151, 4.92554, 1.54608
+ITEM: TIME
+790
+ITEM: POSITIONS
+1, 1, -4.75541, 4.93843, 0.00104817
+ITEM: TIME
+791
+ITEM: POSITIONS
+1, 1, -4.52431, 4.95011, -1.54409
+ITEM: TIME
+792
+ITEM: POSITIONS
+1, 1, -4.22186, 4.96057, -2.93808
+ITEM: TIME
+793
+ITEM: POSITIONS
+1, 1, -3.85283, 4.9698, -4.04447
+ITEM: TIME
+794
+ITEM: POSITIONS
+1, 1, -3.42304, 4.9778, -4.75496
+ITEM: TIME
+795
+ITEM: POSITIONS
+1, 1, -2.93927, 4.98458, -5
+ITEM: TIME
+796
+ITEM: POSITIONS
+1, 1, -2.40914, 4.99013, -4.75561
+ITEM: TIME
+797
+ITEM: POSITIONS
+1, 1, -1.84102, 4.99445, -4.04571
+ITEM: TIME
+798
+ITEM: POSITIONS
+1, 1, -1.24386, 4.99753, -2.93978
+ITEM: TIME
+799
+ITEM: POSITIONS
+1, 1, -0.627087, 4.99938, -1.54609
+ITEM: TIME
+800
+ITEM: POSITIONS
+1, 1, -0.000424574, 5, -0.00106144
+ITEM: TIME
+801
+ITEM: POSITIONS
+1, 1, 0.626244, 4.99938, 1.54407
+ITEM: TIME
+802
+ITEM: POSITIONS
+1, 1, 1.24304, 4.99753, 2.93807
+ITEM: TIME
+803
+ITEM: POSITIONS
+1, 1, 1.84023, 4.99445, 4.04446
+ITEM: TIME
+804
+ITEM: POSITIONS
+1, 1, 2.40839, 4.99014, 4.75495
+ITEM: TIME
+805
+ITEM: POSITIONS
+1, 1, 2.93858, 4.98459, 5
+ITEM: TIME
+806
+ITEM: POSITIONS
+1, 1, 3.42242, 4.97781, 4.75561
+ITEM: TIME
+807
+ITEM: POSITIONS
+1, 1, 3.85229, 4.96981, 4.04571
+ITEM: TIME
+808
+ITEM: POSITIONS
+1, 1, 4.22141, 4.96058, 2.93979
+ITEM: TIME
+809
+ITEM: POSITIONS
+1, 1, 4.52395, 4.95013, 1.54611
+ITEM: TIME
+810
+ITEM: POSITIONS
+1, 1, 4.75515, 4.93845, 0.0010747
+ITEM: TIME
+811
+ITEM: POSITIONS
+1, 1, 4.91136, 4.92556, -1.54406
+ITEM: TIME
+812
+ITEM: POSITIONS
+1, 1, 4.99011, 4.91145, -2.93805
+ITEM: TIME
+813
+ITEM: POSITIONS
+1, 1, 4.99016, 4.89612, -4.04445
+ITEM: TIME
+814
+ITEM: POSITIONS
+1, 1, 4.91152, 4.8796, -4.75495
+ITEM: TIME
+815
+ITEM: POSITIONS
+1, 1, 4.75542, 4.86186, -5
+ITEM: TIME
+816
+ITEM: POSITIONS
+1, 1, 4.52432, 4.84293, -4.75562
+ITEM: TIME
+817
+ITEM: POSITIONS
+1, 1, 4.22187, 4.8228, -4.04572
+ITEM: TIME
+818
+ITEM: POSITIONS
+1, 1, 3.85284, 4.80148, -2.9398
+ITEM: TIME
+819
+ITEM: POSITIONS
+1, 1, 3.42305, 4.77898, -1.54612
+ITEM: TIME
+820
+ITEM: POSITIONS
+1, 1, 2.93928, 4.7553, -0.00108797
+ITEM: TIME
+821
+ITEM: POSITIONS
+1, 1, 2.40915, 4.73044, 1.54405
+ITEM: TIME
+822
+ITEM: POSITIONS
+1, 1, 1.84103, 4.70442, 2.93804
+ITEM: TIME
+823
+ITEM: POSITIONS
+1, 1, 1.24387, 4.67724, 4.04444
+ITEM: TIME
+824
+ITEM: POSITIONS
+1, 1, 0.6271, 4.6489, 4.75494
+ITEM: TIME
+825
+ITEM: POSITIONS
+1, 1, 0.000437842, 4.61942, 5
+ITEM: TIME
+826
+ITEM: POSITIONS
+1, 1, -0.626231, 4.58879, 4.75562
+ITEM: TIME
+827
+ITEM: POSITIONS
+1, 1, -1.24302, 4.55704, 4.04573
+ITEM: TIME
+828
+ITEM: POSITIONS
+1, 1, -1.84021, 4.52416, 2.93981
+ITEM: TIME
+829
+ITEM: POSITIONS
+1, 1, -2.40838, 4.49016, 1.54613
+ITEM: TIME
+830
+ITEM: POSITIONS
+1, 1, -2.93857, 4.45506, 0.00110124
+ITEM: TIME
+831
+ITEM: POSITIONS
+1, 1, -3.42241, 4.41885, -1.54404
+ITEM: TIME
+832
+ITEM: POSITIONS
+1, 1, -3.85228, 4.38156, -2.93803
+ITEM: TIME
+833
+ITEM: POSITIONS
+1, 1, -4.2214, 4.34318, -4.04444
+ITEM: TIME
+834
+ITEM: POSITIONS
+1, 1, -4.52395, 4.30374, -4.75494
+ITEM: TIME
+835
+ITEM: POSITIONS
+1, 1, -4.75515, 4.26323, -5
+ITEM: TIME
+836
+ITEM: POSITIONS
+1, 1, -4.91135, 4.22167, -4.75563
+ITEM: TIME
+837
+ITEM: POSITIONS
+1, 1, -4.99011, 4.17907, -4.04574
+ITEM: TIME
+838
+ITEM: POSITIONS
+1, 1, -4.99016, 4.13543, -2.93983
+ITEM: TIME
+839
+ITEM: POSITIONS
+1, 1, -4.91152, 4.09078, -1.54614
+ITEM: TIME
+840
+ITEM: POSITIONS
+1, 1, -4.75542, 4.04512, -0.00111451
+ITEM: TIME
+841
+ITEM: POSITIONS
+1, 1, -4.52433, 3.99846, 1.54402
+ITEM: TIME
+842
+ITEM: POSITIONS
+1, 1, -4.22188, 3.95081, 2.93802
+ITEM: TIME
+843
+ITEM: POSITIONS
+1, 1, -3.85285, 3.90219, 4.04443
+ITEM: TIME
+844
+ITEM: POSITIONS
+1, 1, -3.42306, 3.8526, 4.75494
+ITEM: TIME
+845
+ITEM: POSITIONS
+1, 1, -2.93929, 3.80207, 5
+ITEM: TIME
+846
+ITEM: POSITIONS
+1, 1, -2.40916, 3.75059, 4.75563
+ITEM: TIME
+847
+ITEM: POSITIONS
+1, 1, -1.84104, 3.69819, 4.04575
+ITEM: TIME
+848
+ITEM: POSITIONS
+1, 1, -1.24389, 3.64488, 2.93984
+ITEM: TIME
+849
+ITEM: POSITIONS
+1, 1, -0.627113, 3.59067, 1.54616
+ITEM: TIME
+850
+ITEM: POSITIONS
+1, 1, -0.00045111, 3.53557, 0.00112778
+ITEM: TIME
+851
+ITEM: POSITIONS
+1, 1, 0.626218, 3.4796, -1.54401
+ITEM: TIME
+852
+ITEM: POSITIONS
+1, 1, 1.24301, 3.42278, -2.93801
+ITEM: TIME
+853
+ITEM: POSITIONS
+1, 1, 1.8402, 3.3651, -4.04442
+ITEM: TIME
+854
+ITEM: POSITIONS
+1, 1, 2.40837, 3.3066, -4.75493
+ITEM: TIME
+855
+ITEM: POSITIONS
+1, 1, 2.93856, 3.24728, -5
+ITEM: TIME
+856
+ITEM: POSITIONS
+1, 1, 3.4224, 3.18716, -4.75563
+ITEM: TIME
+857
+ITEM: POSITIONS
+1, 1, 3.85228, 3.12626, -4.04575
+ITEM: TIME
+858
+ITEM: POSITIONS
+1, 1, 4.2214, 3.06458, -2.93985
+ITEM: TIME
+859
+ITEM: POSITIONS
+1, 1, 4.52394, 3.00215, -1.54617
+ITEM: TIME
+860
+ITEM: POSITIONS
+1, 1, 4.75514, 2.93897, -0.00114104
+ITEM: TIME
+861
+ITEM: POSITIONS
+1, 1, 4.91135, 2.87507, 1.544
+ITEM: TIME
+862
+ITEM: POSITIONS
+1, 1, 4.9901, 2.81046, 2.938
+ITEM: TIME
+863
+ITEM: POSITIONS
+1, 1, 4.99016, 2.74516, 4.04441
+ITEM: TIME
+864
+ITEM: POSITIONS
+1, 1, 4.91152, 2.67918, 4.75493
+ITEM: TIME
+865
+ITEM: POSITIONS
+1, 1, 4.75542, 2.61254, 5
+ITEM: TIME
+866
+ITEM: POSITIONS
+1, 1, 4.52433, 2.54526, 4.75564
+ITEM: TIME
+867
+ITEM: POSITIONS
+1, 1, 4.22189, 2.47734, 4.04576
+ITEM: TIME
+868
+ITEM: POSITIONS
+1, 1, 3.85286, 2.40882, 2.93986
+ITEM: TIME
+869
+ITEM: POSITIONS
+1, 1, 3.42307, 2.3397, 1.54618
+ITEM: TIME
+870
+ITEM: POSITIONS
+1, 1, 2.9393, 2.27, 0.00115431
+ITEM: TIME
+871
+ITEM: POSITIONS
+1, 1, 2.40917, 2.19975, -1.54399
+ITEM: TIME
+872
+ITEM: POSITIONS
+1, 1, 1.84105, 2.12895, -2.93799
+ITEM: TIME
+873
+ITEM: POSITIONS
+1, 1, 1.2439, 2.05762, -4.0444
+ITEM: TIME
+874
+ITEM: POSITIONS
+1, 1, 0.627126, 1.98579, -4.75492
+ITEM: TIME
+875
+ITEM: POSITIONS
+1, 1, 0.000464378, 1.91347, -5
+ITEM: TIME
+876
+ITEM: POSITIONS
+1, 1, -0.626205, 1.84068, -4.75564
+ITEM: TIME
+877
+ITEM: POSITIONS
+1, 1, -1.243, 1.76743, -4.04577
+ITEM: TIME
+878
+ITEM: POSITIONS
+1, 1, -1.84019, 1.69374, -2.93987
+ITEM: TIME
+879
+ITEM: POSITIONS
+1, 1, -2.40836, 1.61964, -1.54619
+ITEM: TIME
+880
+ITEM: POSITIONS
+1, 1, -2.93855, 1.54514, -0.00116758
+ITEM: TIME
+881
+ITEM: POSITIONS
+1, 1, -3.42239, 1.47026, 1.54397
+ITEM: TIME
+882
+ITEM: POSITIONS
+1, 1, -3.85227, 1.39501, 2.93798
+ITEM: TIME
+883
+ITEM: POSITIONS
+1, 1, -4.22139, 1.31942, 4.0444
+ITEM: TIME
+884
+ITEM: POSITIONS
+1, 1, -4.52394, 1.24351, 4.75492
+ITEM: TIME
+885
+ITEM: POSITIONS
+1, 1, -4.75514, 1.16728, 5
+ITEM: TIME
+886
+ITEM: POSITIONS
+1, 1, -4.91135, 1.09077, 4.75565
+ITEM: TIME
+887
+ITEM: POSITIONS
+1, 1, -4.9901, 1.01399, 4.04578
+ITEM: TIME
+888
+ITEM: POSITIONS
+1, 1, -4.99016, 0.936964, 2.93988
+ITEM: TIME
+889
+ITEM: POSITIONS
+1, 1, -4.91152, 0.859704, 1.54621
+ITEM: TIME
+890
+ITEM: POSITIONS
+1, 1, -4.75543, 0.782231, 0.00118085
+ITEM: TIME
+891
+ITEM: POSITIONS
+1, 1, -4.52434, 0.704565, -1.54396
+ITEM: TIME
+892
+ITEM: POSITIONS
+1, 1, -4.22189, 0.626725, -2.93797
+ITEM: TIME
+893
+ITEM: POSITIONS
+1, 1, -3.85287, 0.54873, -4.04439
+ITEM: TIME
+894
+ITEM: POSITIONS
+1, 1, -3.42308, 0.470601, -4.75492
+ITEM: TIME
+895
+ITEM: POSITIONS
+1, 1, -2.93931, 0.392355, -5
+ITEM: TIME
+896
+ITEM: POSITIONS
+1, 1, -2.40919, 0.314012, -4.75565
+ITEM: TIME
+897
+ITEM: POSITIONS
+1, 1, -1.84107, 0.235592, -4.04578
+ITEM: TIME
+898
+ITEM: POSITIONS
+1, 1, -1.24391, 0.157113, -2.93989
+ITEM: TIME
+899
+ITEM: POSITIONS
+1, 1, -0.62714, 0.0785962, -1.54622
+ITEM: TIME
+900
+ITEM: POSITIONS
+1, 1, -0.000477646, 5.97058e-05, -0.00119412
+ITEM: TIME
+901
+ITEM: POSITIONS
+1, 1, 0.626192, -0.0784768, 1.54395
+ITEM: TIME
+902
+ITEM: POSITIONS
+1, 1, 1.24299, -0.156994, 2.93796
+ITEM: TIME
+903
+ITEM: POSITIONS
+1, 1, 1.84018, -0.235472, 4.04438
+ITEM: TIME
+904
+ITEM: POSITIONS
+1, 1, 2.40835, -0.313893, 4.75491
+ITEM: TIME
+905
+ITEM: POSITIONS
+1, 1, 2.93854, -0.392236, 5
+ITEM: TIME
+906
+ITEM: POSITIONS
+1, 1, 3.42239, -0.470482, 4.75565
+ITEM: TIME
+907
+ITEM: POSITIONS
+1, 1, 3.85226, -0.548612, 4.04579
+ITEM: TIME
+908
+ITEM: POSITIONS
+1, 1, 4.22138, -0.626606, 2.9399
+ITEM: TIME
+909
+ITEM: POSITIONS
+1, 1, 4.52393, -0.704446, 1.54623
+ITEM: TIME
+910
+ITEM: POSITIONS
+1, 1, 4.75513, -0.782113, 0.00120738
+ITEM: TIME
+911
+ITEM: POSITIONS
+1, 1, 4.91135, -0.859586, -1.54394
+ITEM: TIME
+912
+ITEM: POSITIONS
+1, 1, 4.9901, -0.936847, -2.93795
+ITEM: TIME
+913
+ITEM: POSITIONS
+1, 1, 4.99016, -1.01388, -4.04437
+ITEM: TIME
+914
+ITEM: POSITIONS
+1, 1, 4.91153, -1.09066, -4.75491
+ITEM: TIME
+915
+ITEM: POSITIONS
+1, 1, 4.75543, -1.16717, -5
+ITEM: TIME
+916
+ITEM: POSITIONS
+1, 1, 4.52434, -1.24339, -4.75566
+ITEM: TIME
+917
+ITEM: POSITIONS
+1, 1, 4.2219, -1.31931, -4.0458
+ITEM: TIME
+918
+ITEM: POSITIONS
+1, 1, 3.85288, -1.3949, -2.93991
+ITEM: TIME
+919
+ITEM: POSITIONS
+1, 1, 3.42309, -1.47014, -1.54624
+ITEM: TIME
+920
+ITEM: POSITIONS
+1, 1, 2.93932, -1.54503, -0.00122065
+ITEM: TIME
+921
+ITEM: POSITIONS
+1, 1, 2.4092, -1.61953, 1.54392
+ITEM: TIME
+922
+ITEM: POSITIONS
+1, 1, 1.84108, -1.69363, 2.93794
+ITEM: TIME
+923
+ITEM: POSITIONS
+1, 1, 1.24392, -1.76732, 4.04437
+ITEM: TIME
+924
+ITEM: POSITIONS
+1, 1, 0.627153, -1.84057, 4.7549
+ITEM: TIME
+925
+ITEM: POSITIONS
+1, 1, 0.000490914, -1.91336, 5
+ITEM: TIME
+926
+ITEM: POSITIONS
+1, 1, -0.626179, -1.98568, 4.75566
+ITEM: TIME
+927
+ITEM: POSITIONS
+1, 1, -1.24297, -2.05752, 4.04581
+ITEM: TIME
+928
+ITEM: POSITIONS
+1, 1, -1.84016, -2.12884, 2.93992
+ITEM: TIME
+929
+ITEM: POSITIONS
+1, 1, -2.40834, -2.19964, 1.54626
+ITEM: TIME
+930
+ITEM: POSITIONS
+1, 1, -2.93853, -2.2699, 0.00123392
+ITEM: TIME
+931
+ITEM: POSITIONS
+1, 1, -3.42238, -2.33959, -1.54391
+ITEM: TIME
+932
+ITEM: POSITIONS
+1, 1, -3.85225, -2.40871, -2.93793
+ITEM: TIME
+933
+ITEM: POSITIONS
+1, 1, -4.22137, -2.47724, -4.04436
+ITEM: TIME
+934
+ITEM: POSITIONS
+1, 1, -4.52392, -2.54515, -4.7549
+ITEM: TIME
+935
+ITEM: POSITIONS
+1, 1, -4.75513, -2.61244, -5
+ITEM: TIME
+936
+ITEM: POSITIONS
+1, 1, -4.91134, -2.67908, -4.75567
+ITEM: TIME
+937
+ITEM: POSITIONS
+1, 1, -4.9901, -2.74506, -4.04582
+ITEM: TIME
+938
+ITEM: POSITIONS
+1, 1, -4.99016, -2.81037, -2.93993
+ITEM: TIME
+939
+ITEM: POSITIONS
+1, 1, -4.91153, -2.87498, -1.54627
+ITEM: TIME
+940
+ITEM: POSITIONS
+1, 1, -4.75544, -2.93888, -0.00124719
+ITEM: TIME
+941
+ITEM: POSITIONS
+1, 1, -4.52435, -3.00205, 1.5439
+ITEM: TIME
+942
+ITEM: POSITIONS
+1, 1, -4.22191, -3.06449, 2.93792
+ITEM: TIME
+943
+ITEM: POSITIONS
+1, 1, -3.85289, -3.12616, 4.04435
+ITEM: TIME
+944
+ITEM: POSITIONS
+1, 1, -3.4231, -3.18707, 4.7549
+ITEM: TIME
+945
+ITEM: POSITIONS
+1, 1, -2.93933, -3.24719, 5
+ITEM: TIME
+946
+ITEM: POSITIONS
+1, 1, -2.40921, -3.30651, 4.75567
+ITEM: TIME
+947
+ITEM: POSITIONS
+1, 1, -1.84109, -3.36502, 4.04582
+ITEM: TIME
+948
+ITEM: POSITIONS
+1, 1, -1.24394, -3.42269, 2.93994
+ITEM: TIME
+949
+ITEM: POSITIONS
+1, 1, -0.627166, -3.47952, 1.54628
+ITEM: TIME
+950
+ITEM: POSITIONS
+1, 1, -0.000504182, -3.53549, 0.00126046
+ITEM: TIME
+951
+ITEM: POSITIONS
+1, 1, 0.626165, -3.59059, -1.54388
+ITEM: TIME
+952
+ITEM: POSITIONS
+1, 1, 1.24296, -3.6448, -2.9379
+ITEM: TIME
+953
+ITEM: POSITIONS
+1, 1, 1.84015, -3.69811, -4.04434
+ITEM: TIME
+954
+ITEM: POSITIONS
+1, 1, 2.40832, -3.75051, -4.75489
+ITEM: TIME
+955
+ITEM: POSITIONS
+1, 1, 2.93852, -3.80199, -5
+ITEM: TIME
+956
+ITEM: POSITIONS
+1, 1, 3.42237, -3.85253, -4.75567
+ITEM: TIME
+957
+ITEM: POSITIONS
+1, 1, 3.85224, -3.90211, -4.04583
+ITEM: TIME
+958
+ITEM: POSITIONS
+1, 1, 4.22137, -3.95074, -2.93995
+ITEM: TIME
+959
+ITEM: POSITIONS
+1, 1, 4.52392, -3.99839, -1.5463
+ITEM: TIME
+960
+ITEM: POSITIONS
+1, 1, 4.75513, -4.04505, -0.00127372
+ITEM: TIME
+961
+ITEM: POSITIONS
+1, 1, 4.91134, -4.09071, 1.54387
+ITEM: TIME
+962
+ITEM: POSITIONS
+1, 1, 4.9901, -4.13537, 2.93789
+ITEM: TIME
+963
+ITEM: POSITIONS
+1, 1, 4.99017, -4.179, 4.04433
+ITEM: TIME
+964
+ITEM: POSITIONS
+1, 1, 4.91153, -4.22161, 4.75489
+ITEM: TIME
+965
+ITEM: POSITIONS
+1, 1, 4.75544, -4.26317, 5
+ITEM: TIME
+966
+ITEM: POSITIONS
+1, 1, 4.52435, -4.30368, 4.75568
+ITEM: TIME
+967
+ITEM: POSITIONS
+1, 1, 4.22191, -4.34313, 4.04584
+ITEM: TIME
+968
+ITEM: POSITIONS
+1, 1, 3.85289, -4.3815, 2.93997
+ITEM: TIME
+969
+ITEM: POSITIONS
+1, 1, 3.42311, -4.4188, 1.54631
+ITEM: TIME
+970
+ITEM: POSITIONS
+1, 1, 2.93934, -4.455, 0.00128699
+ITEM: TIME
+971
+ITEM: POSITIONS
+1, 1, 2.40922, -4.49011, -1.54386
+ITEM: TIME
+972
+ITEM: POSITIONS
+1, 1, 1.8411, -4.52411, -2.93788
+ITEM: TIME
+973
+ITEM: POSITIONS
+1, 1, 1.24395, -4.55699, -4.04433
+ITEM: TIME
+974
+ITEM: POSITIONS
+1, 1, 0.627179, -4.58875, -4.75488
+ITEM: TIME
+975
+ITEM: POSITIONS
+1, 1, 0.00051745, -4.61937, -5
+ITEM: TIME
+976
+ITEM: POSITIONS
+1, 1, -0.626152, -4.64886, -4.75568
+ITEM: TIME
+977
+ITEM: POSITIONS
+1, 1, -1.24295, -4.6772, -4.04585
+ITEM: TIME
+978
+ITEM: POSITIONS
+1, 1, -1.84014, -4.70438, -2.93998
+ITEM: TIME
+979
+ITEM: POSITIONS
+1, 1, -2.40831, -4.73041, -1.54632
+ITEM: TIME
+980
+ITEM: POSITIONS
+1, 1, -2.93851, -4.75526, -0.00130026
+ITEM: TIME
+981
+ITEM: POSITIONS
+1, 1, -3.42236, -4.77895, 1.54385
+ITEM: TIME
+982
+ITEM: POSITIONS
+1, 1, -3.85223, -4.80145, 2.93787
+ITEM: TIME
+983
+ITEM: POSITIONS
+1, 1, -4.22136, -4.82277, 4.04432
+ITEM: TIME
+984
+ITEM: POSITIONS
+1, 1, -4.52391, -4.8429, 4.75488
+ITEM: TIME
+985
+ITEM: POSITIONS
+1, 1, -4.75512, -4.86183, 5
+ITEM: TIME
+986
+ITEM: POSITIONS
+1, 1, -4.91134, -4.87957, 4.75569
+ITEM: TIME
+987
+ITEM: POSITIONS
+1, 1, -4.9901, -4.8961, 4.04585
+ITEM: TIME
+988
+ITEM: POSITIONS
+1, 1, -4.99017, -4.91142, 2.93999
+ITEM: TIME
+989
+ITEM: POSITIONS
+1, 1, -4.91153, -4.92554, 1.54633
+ITEM: TIME
+990
+ITEM: POSITIONS
+1, 1, -4.75544, -4.93843, 0.00131353
+ITEM: TIME
+991
+ITEM: POSITIONS
+1, 1, -4.52436, -4.95011, -1.54383
+ITEM: TIME
+992
+ITEM: POSITIONS
+1, 1, -4.22192, -4.96057, -2.93786
+ITEM: TIME
+993
+ITEM: POSITIONS
+1, 1, -3.8529, -4.9698, -4.04431
+ITEM: TIME
+994
+ITEM: POSITIONS
+1, 1, -3.42312, -4.9778, -4.75487
+ITEM: TIME
+995
+ITEM: POSITIONS
+1, 1, -2.93935, -4.98458, -5
+ITEM: TIME
+996
+ITEM: POSITIONS
+1, 1, -2.40923, -4.99013, -4.75569
+ITEM: TIME
+997
+ITEM: POSITIONS
+1, 1, -1.84111, -4.99445, -4.04586
+ITEM: TIME
+998
+ITEM: POSITIONS
+1, 1, -1.24396, -4.99753, -2.94
+ITEM: TIME
+999
+ITEM: POSITIONS
+1, 1, -0.627192, -4.99938, -1.54635
+ITEM: TIME
+1000
+ITEM: POSITIONS
+1, 1, -0.000530718, -5, -0.00132679
+ITEM: TIME
+1001
+ITEM: POSITIONS
+1, 1, 0.626139, -4.99938, 1.54382
+ITEM: TIME
+1002
+ITEM: POSITIONS
+1, 1, 1.24293, -4.99753, 2.93785
+ITEM: TIME
+1003
+ITEM: POSITIONS
+1, 1, 1.84013, -4.99445, 4.0443
+ITEM: TIME
+1004
+ITEM: POSITIONS
+1, 1, 2.4083, -4.99014, 4.75487
+ITEM: TIME
+1005
+ITEM: POSITIONS
+1, 1, 2.93849, -4.98459, 5
+ITEM: TIME
+1006
+ITEM: POSITIONS
+1, 1, 3.42235, -4.97782, 4.75569
+ITEM: TIME
+1007
+ITEM: POSITIONS
+1, 1, 3.85223, -4.96981, 4.04587
+ITEM: TIME
+1008
+ITEM: POSITIONS
+1, 1, 4.22135, -4.96058, 2.94001
+ITEM: TIME
+1009
+ITEM: POSITIONS
+1, 1, 4.52391, -4.95013, 1.54636
+ITEM: TIME
+1010
+ITEM: POSITIONS
+1, 1, 4.75512, -4.93845, 0.00134006
+ITEM: TIME
+1011
+ITEM: POSITIONS
+1, 1, 4.91134, -4.92556, -1.54381
+ITEM: TIME
+1012
+ITEM: POSITIONS
+1, 1, 4.9901, -4.91145, -2.93784
+ITEM: TIME
+1013
+ITEM: POSITIONS
+1, 1, 4.99017, -4.89613, -4.04429
+ITEM: TIME
+1014
+ITEM: POSITIONS
+1, 1, 4.91154, -4.8796, -4.75487
+ITEM: TIME
+1015
+ITEM: POSITIONS
+1, 1, 4.75545, -4.86187, -5
+ITEM: TIME
+1016
+ITEM: POSITIONS
+1, 1, 4.52436, -4.84293, -4.7557
+ITEM: TIME
+1017
+ITEM: POSITIONS
+1, 1, 4.22193, -4.8228, -4.04588
+ITEM: TIME
+1018
+ITEM: POSITIONS
+1, 1, 3.85291, -4.80149, -2.94002
+ITEM: TIME
+1019
+ITEM: POSITIONS
+1, 1, 3.42313, -4.77898, -1.54637
+ITEM: TIME
+1020
+ITEM: POSITIONS
+1, 1, 2.93936, -4.7553, -0.00135333
+ITEM: TIME
+1021
+ITEM: POSITIONS
+1, 1, 2.40924, -4.73045, 1.5438
+ITEM: TIME
+1022
+ITEM: POSITIONS
+1, 1, 1.84113, -4.70443, 2.93783
+ITEM: TIME
+1023
+ITEM: POSITIONS
+1, 1, 1.24398, -4.67724, 4.04429
+ITEM: TIME
+1024
+ITEM: POSITIONS
+1, 1, 0.627205, -4.64891, 4.75486
+ITEM: TIME
+1025
+ITEM: POSITIONS
+1, 1, 0.000543986, -4.61942, 5
+ITEM: TIME
+1026
+ITEM: POSITIONS
+1, 1, -0.626126, -4.5888, 4.7557
+ITEM: TIME
+1027
+ITEM: POSITIONS
+1, 1, -1.24292, -4.55704, 4.04589
+ITEM: TIME
+1028
+ITEM: POSITIONS
+1, 1, -1.84012, -4.52416, 2.94003
+ITEM: TIME
+1029
+ITEM: POSITIONS
+1, 1, -2.40829, -4.49017, 1.54638
+ITEM: TIME
+1030
+ITEM: POSITIONS
+1, 1, -2.93848, -4.45506, 0.0013666
+ITEM: TIME
+1031
+ITEM: POSITIONS
+1, 1, -3.42234, -4.41886, -1.54378
+ITEM: TIME
+1032
+ITEM: POSITIONS
+1, 1, -3.85222, -4.38157, -2.93782
+ITEM: TIME
+1033
+ITEM: POSITIONS
+1, 1, -4.22135, -4.34319, -4.04428
+ITEM: TIME
+1034
+ITEM: POSITIONS
+1, 1, -4.5239, -4.30375, -4.75486
+ITEM: TIME
+1035
+ITEM: POSITIONS
+1, 1, -4.75511, -4.26324, -5
+ITEM: TIME
+1036
+ITEM: POSITIONS
+1, 1, -4.91133, -4.22168, -4.75571
+ITEM: TIME
+1037
+ITEM: POSITIONS
+1, 1, -4.9901, -4.17907, -4.04589
+ITEM: TIME
+1038
+ITEM: POSITIONS
+1, 1, -4.99017, -4.13544, -2.94004
+ITEM: TIME
+1039
+ITEM: POSITIONS
+1, 1, -4.91154, -4.09079, -1.5464
+ITEM: TIME
+1040
+ITEM: POSITIONS
+1, 1, -4.75545, -4.04513, -0.00137987
+ITEM: TIME
+1041
+ITEM: POSITIONS
+1, 1, -4.52437, -3.99846, 1.54377
+ITEM: TIME
+1042
+ITEM: POSITIONS
+1, 1, -4.22194, -3.95082, 2.93781
+ITEM: TIME
+1043
+ITEM: POSITIONS
+1, 1, -3.85292, -3.9022, 4.04427
+ITEM: TIME
+1044
+ITEM: POSITIONS
+1, 1, -3.42314, -3.85261, 4.75485
+ITEM: TIME
+1045
+ITEM: POSITIONS
+1, 1, -2.93937, -3.80207, 5
+ITEM: TIME
+1046
+ITEM: POSITIONS
+1, 1, -2.40925, -3.7506, 4.75571
+ITEM: TIME
+1047
+ITEM: POSITIONS
+1, 1, -1.84114, -3.6982, 4.0459
+ITEM: TIME
+1048
+ITEM: POSITIONS
+1, 1, -1.24399, -3.64489, 2.94005
+ITEM: TIME
+1049
+ITEM: POSITIONS
+1, 1, -0.627218, -3.59068, 1.54641
+ITEM: TIME
+1050
+ITEM: POSITIONS
+1, 1, -0.000557254, -3.53558, 0.00139313
+ITEM: TIME
+1051
+ITEM: POSITIONS
+1, 1, 0.626113, -3.47961, -1.54376
+ITEM: TIME
+1052
+ITEM: POSITIONS
+1, 1, 1.24291, -3.42279, -2.9378
+ITEM: TIME
+1053
+ITEM: POSITIONS
+1, 1, 1.8401, -3.36511, -4.04426
+ITEM: TIME
+1054
+ITEM: POSITIONS
+1, 1, 2.40828, -3.30661, -4.75485
+ITEM: TIME
+1055
+ITEM: POSITIONS
+1, 1, 2.93847, -3.24729, -5
+ITEM: TIME
+1056
+ITEM: POSITIONS
+1, 1, 3.42233, -3.18717, -4.75572
+ITEM: TIME
+1057
+ITEM: POSITIONS
+1, 1, 3.85221, -3.12627, -4.04591
+ITEM: TIME
+1058
+ITEM: POSITIONS
+1, 1, 4.22134, -3.06459, -2.94006
+ITEM: TIME
+1059
+ITEM: POSITIONS
+1, 1, 4.5239, -3.00216, -1.54642
+ITEM: TIME
+1060
+ITEM: POSITIONS
+1, 1, 4.75511, -2.93898, -0.0014064
+ITEM: TIME
+1061
+ITEM: POSITIONS
+1, 1, 4.91133, -2.87508, 1.54375
+ITEM: TIME
+1062
+ITEM: POSITIONS
+1, 1, 4.9901, -2.81048, 2.93779
+ITEM: TIME
+1063
+ITEM: POSITIONS
+1, 1, 4.99017, -2.74517, 4.04426
+ITEM: TIME
+1064
+ITEM: POSITIONS
+1, 1, 4.91154, -2.67919, 4.75485
+ITEM: TIME
+1065
+ITEM: POSITIONS
+1, 1, 4.75546, -2.61255, 5
+ITEM: TIME
+1066
+ITEM: POSITIONS
+1, 1, 4.52438, -2.54527, 4.75572
+ITEM: TIME
+1067
+ITEM: POSITIONS
+1, 1, 4.22194, -2.47735, 4.04592
+ITEM: TIME
+1068
+ITEM: POSITIONS
+1, 1, 3.85293, -2.40883, 2.94007
+ITEM: TIME
+1069
+ITEM: POSITIONS
+1, 1, 3.42315, -2.33971, 1.54643
+ITEM: TIME
+1070
+ITEM: POSITIONS
+1, 1, 2.93939, -2.27002, 0.00141967
+ITEM: TIME
+1071
+ITEM: POSITIONS
+1, 1, 2.40927, -2.19976, -1.54373
+ITEM: TIME
+1072
+ITEM: POSITIONS
+1, 1, 1.84115, -2.12896, -2.93778
+ITEM: TIME
+1073
+ITEM: POSITIONS
+1, 1, 1.244, -2.05764, -4.04425
+ITEM: TIME
+1074
+ITEM: POSITIONS
+1, 1, 0.627232, -1.9858, -4.75484
+ITEM: TIME
+1075
+ITEM: POSITIONS
+1, 1, 0.000570522, -1.91348, -5
+ITEM: TIME
+1076
+ITEM: POSITIONS
+1, 1, -0.6261, -1.84069, -4.75572
+ITEM: TIME
+1077
+ITEM: POSITIONS
+1, 1, -1.2429, -1.76744, -4.04592
+ITEM: TIME
+1078
+ITEM: POSITIONS
+1, 1, -1.84009, -1.69376, -2.94008
+ITEM: TIME
+1079
+ITEM: POSITIONS
+1, 1, -2.40827, -1.61965, -1.54645
+ITEM: TIME
+1080
+ITEM: POSITIONS
+1, 1, -2.93846, -1.54515, -0.00143294
+ITEM: TIME
+1081
+ITEM: POSITIONS
+1, 1, -3.42232, -1.47027, 1.54372
+ITEM: TIME
+1082
+ITEM: POSITIONS
+1, 1, -3.8522, -1.39502, 2.93776
+ITEM: TIME
+1083
+ITEM: POSITIONS
+1, 1, -4.22133, -1.31943, 4.04424
+ITEM: TIME
+1084
+ITEM: POSITIONS
+1, 1, -4.52389, -1.24352, 4.75484
+ITEM: TIME
+1085
+ITEM: POSITIONS
+1, 1, -4.7551, -1.1673, 5
+ITEM: TIME
+1086
+ITEM: POSITIONS
+1, 1, -4.91133, -1.09079, 4.75573
+ITEM: TIME
+1087
+ITEM: POSITIONS
+1, 1, -4.9901, -1.01401, 4.04593
+ITEM: TIME
+1088
+ITEM: POSITIONS
+1, 1, -4.99017, -0.936977, 2.94009
+ITEM: TIME
+1089
+ITEM: POSITIONS
+1, 1, -4.91154, -0.859717, 1.54646
+ITEM: TIME
+1090
+ITEM: POSITIONS
+1, 1, -4.75546, -0.782244, 0.00144621
+ITEM: TIME
+1091
+ITEM: POSITIONS
+1, 1, -4.52438, -0.704578, -1.54371
+ITEM: TIME
+1092
+ITEM: POSITIONS
+1, 1, -4.22195, -0.626738, -2.93775
+ITEM: TIME
+1093
+ITEM: POSITIONS
+1, 1, -3.85294, -0.548744, -4.04423
+ITEM: TIME
+1094
+ITEM: POSITIONS
+1, 1, -3.42316, -0.470614, -4.75483
+ITEM: TIME
+1095
+ITEM: POSITIONS
+1, 1, -2.9394, -0.392368, -5
+ITEM: TIME
+1096
+ITEM: POSITIONS
+1, 1, -2.40928, -0.314025, -4.75573
+ITEM: TIME
+1097
+ITEM: POSITIONS
+1, 1, -1.84116, -0.235605, -4.04594
+ITEM: TIME
+1098
+ITEM: POSITIONS
+1, 1, -1.24401, -0.157127, -2.9401
+ITEM: TIME
+1099
+ITEM: POSITIONS
+1, 1, -0.627245, -0.0786095, -1.54647
+ITEM: TIME
+1100
+ITEM: POSITIONS
+1, 1, -0.00058379, -7.29737e-05, -0.00145947
+ITEM: TIME
+1101
+ITEM: POSITIONS
+1, 1, 0.626086, 0.0784636, 1.5437
+ITEM: TIME
+1102
+ITEM: POSITIONS
+1, 1, 1.24288, 0.156981, 2.93774
+ITEM: TIME
+1103
+ITEM: POSITIONS
+1, 1, 1.84008, 0.235459, 4.04422
+ITEM: TIME
+1104
+ITEM: POSITIONS
+1, 1, 2.40825, 0.31388, 4.75483
+ITEM: TIME
+1105
+ITEM: POSITIONS
+1, 1, 2.93845, 0.392222, 5
+ITEM: TIME
+1106
+ITEM: POSITIONS
+1, 1, 3.42231, 0.470469, 4.75574
+ITEM: TIME
+1107
+ITEM: POSITIONS
+1, 1, 3.85219, 0.548599, 4.04595
+ITEM: TIME
+1108
+ITEM: POSITIONS
+1, 1, 4.22132, 0.626593, 2.94012
+ITEM: TIME
+1109
+ITEM: POSITIONS
+1, 1, 4.52388, 0.704433, 1.54648
+ITEM: TIME
+1110
+ITEM: POSITIONS
+1, 1, 4.7551, 0.7821, 0.00147274
+ITEM: TIME
+1111
+ITEM: POSITIONS
+1, 1, 4.91133, 0.859573, -1.54368
+ITEM: TIME
+1112
+ITEM: POSITIONS
+1, 1, 4.9901, 0.936834, -2.93773
+ITEM: TIME
+1113
+ITEM: POSITIONS
+1, 1, 4.99017, 1.01386, -4.04422
+ITEM: TIME
+1114
+ITEM: POSITIONS
+1, 1, 4.91155, 1.09064, -4.75483
+ITEM: TIME
+1115
+ITEM: POSITIONS
+1, 1, 4.75547, 1.16715, -5
+ITEM: TIME
+1116
+ITEM: POSITIONS
+1, 1, 4.52439, 1.24338, -4.75574
+ITEM: TIME
+1117
+ITEM: POSITIONS
+1, 1, 4.22196, 1.31929, -4.04596
+ITEM: TIME
+1118
+ITEM: POSITIONS
+1, 1, 3.85294, 1.39488, -2.94013
+ITEM: TIME
+1119
+ITEM: POSITIONS
+1, 1, 3.42317, 1.47013, -1.5465
+ITEM: TIME
+1120
+ITEM: POSITIONS
+1, 1, 2.93941, 1.54501, -0.00148601
+ITEM: TIME
+1121
+ITEM: POSITIONS
+1, 1, 2.40929, 1.61952, 1.54367
+ITEM: TIME
+1122
+ITEM: POSITIONS
+1, 1, 1.84118, 1.69362, 2.93772
+ITEM: TIME
+1123
+ITEM: POSITIONS
+1, 1, 1.24403, 1.7673, 4.04421
+ITEM: TIME
+1124
+ITEM: POSITIONS
+1, 1, 0.627258, 1.84055, 4.75482
+ITEM: TIME
+1125
+ITEM: POSITIONS
+1, 1, 0.000597058, 1.91335, 5
+ITEM: TIME
+1126
+ITEM: POSITIONS
+1, 1, -0.626073, 1.98567, 4.75574
+ITEM: TIME
+1127
+ITEM: POSITIONS
+1, 1, -1.24287, 2.0575, 4.04596
+ITEM: TIME
+1128
+ITEM: POSITIONS
+1, 1, -1.84007, 2.12883, 2.94014
+ITEM: TIME
+1129
+ITEM: POSITIONS
+1, 1, -2.40824, 2.19963, 1.54651
+ITEM: TIME
+1130
+ITEM: POSITIONS
+1, 1, -2.93844, 2.26989, 0.00149928
+ITEM: TIME
+1131
+ITEM: POSITIONS
+1, 1, -3.4223, 2.33958, -1.54366
+ITEM: TIME
+1132
+ITEM: POSITIONS
+1, 1, -3.85218, 2.4087, -2.93771
+ITEM: TIME
+1133
+ITEM: POSITIONS
+1, 1, -4.22132, 2.47723, -4.0442
+ITEM: TIME
+1134
+ITEM: POSITIONS
+1, 1, -4.52388, 2.54514, -4.75482
+ITEM: TIME
+1135
+ITEM: POSITIONS
+1, 1, -4.7551, 2.61243, -5
+ITEM: TIME
+1136
+ITEM: POSITIONS
+1, 1, -4.91132, 2.67907, -4.75575
+ITEM: TIME
+1137
+ITEM: POSITIONS
+1, 1, -4.9901, 2.74505, -4.04597
+ITEM: TIME
+1138
+ITEM: POSITIONS
+1, 1, -4.99017, 2.81035, -2.94015
+ITEM: TIME
+1139
+ITEM: POSITIONS
+1, 1, -4.91155, 2.87496, -1.54652
+ITEM: TIME
+1140
+ITEM: POSITIONS
+1, 1, -4.75547, 2.93887, -0.00151255
+ITEM: TIME
+1141
+ITEM: POSITIONS
+1, 1, -4.52439, 3.00204, 1.54365
+ITEM: TIME
+1142
+ITEM: POSITIONS
+1, 1, -4.22196, 3.06448, 2.9377
+ITEM: TIME
+1143
+ITEM: POSITIONS
+1, 1, -3.85295, 3.12615, 4.04419
+ITEM: TIME
+1144
+ITEM: POSITIONS
+1, 1, -3.42318, 3.18706, 4.75481
+ITEM: TIME
+1145
+ITEM: POSITIONS
+1, 1, -2.93942, 3.24718, 5
+ITEM: TIME
+1146
+ITEM: POSITIONS
+1, 1, -2.4093, 3.3065, 4.75575
+ITEM: TIME
+1147
+ITEM: POSITIONS
+1, 1, -1.84119, 3.36501, 4.04598
+ITEM: TIME
+1148
+ITEM: POSITIONS
+1, 1, -1.24404, 3.42268, 2.94016
+ITEM: TIME
+1149
+ITEM: POSITIONS
+1, 1, -0.627271, 3.47951, 1.54653
+ITEM: TIME
+1150
+ITEM: POSITIONS
+1, 1, -0.000610326, 3.53548, 0.00152581
+ITEM: TIME
+1151
+ITEM: POSITIONS
+1, 1, 0.62606, 3.59058, -1.54363
+ITEM: TIME
+1152
+ITEM: POSITIONS
+1, 1, 1.24286, 3.64479, -2.93769
+ITEM: TIME
+1153
+ITEM: POSITIONS
+1, 1, 1.84005, 3.6981, -4.04419
+ITEM: TIME
+1154
+ITEM: POSITIONS
+1, 1, 2.40823, 3.7505, -4.75481
+ITEM: TIME
+1155
+ITEM: POSITIONS
+1, 1, 2.93843, 3.80198, -5
+ITEM: TIME
+1156
+ITEM: POSITIONS
+1, 1, 3.42229, 3.85252, -4.75576
+ITEM: TIME
+1157
+ITEM: POSITIONS
+1, 1, 3.85217, 3.9021, -4.04599
+ITEM: TIME
+1158
+ITEM: POSITIONS
+1, 1, 4.22131, 3.95073, -2.94017
+ITEM: TIME
+1159
+ITEM: POSITIONS
+1, 1, 4.52387, 3.99838, -1.54655
+ITEM: TIME
+1160
+ITEM: POSITIONS
+1, 1, 4.75509, 4.04504, -0.00153908
+ITEM: TIME
+1161
+ITEM: POSITIONS
+1, 1, 4.91132, 4.0907, 1.54362
+ITEM: TIME
+1162
+ITEM: POSITIONS
+1, 1, 4.99009, 4.13536, 2.93768
+ITEM: TIME
+1163
+ITEM: POSITIONS
+1, 1, 4.99017, 4.17899, 4.04418
+ITEM: TIME
+1164
+ITEM: POSITIONS
+1, 1, 4.91155, 4.2216, 4.75481
+ITEM: TIME
+1165
+ITEM: POSITIONS
+1, 1, 4.75547, 4.26316, 5
+ITEM: TIME
+1166
+ITEM: POSITIONS
+1, 1, 4.5244, 4.30367, 4.75576
+ITEM: TIME
+1167
+ITEM: POSITIONS
+1, 1, 4.22197, 4.34312, 4.04599
+ITEM: TIME
+1168
+ITEM: POSITIONS
+1, 1, 3.85296, 4.3815, 2.94018
+ITEM: TIME
+1169
+ITEM: POSITIONS
+1, 1, 3.42319, 4.41879, 1.54656
+ITEM: TIME
+1170
+ITEM: POSITIONS
+1, 1, 2.93943, 4.455, 0.00155235
+ITEM: TIME
+1171
+ITEM: POSITIONS
+1, 1, 2.40931, 4.4901, -1.54361
+ITEM: TIME
+1172
+ITEM: POSITIONS
+1, 1, 1.8412, 4.5241, -2.93767
+ITEM: TIME
+1173
+ITEM: POSITIONS
+1, 1, 1.24405, 4.55698, -4.04417
+ITEM: TIME
+1174
+ITEM: POSITIONS
+1, 1, 0.627284, 4.58874, -4.7548
+ITEM: TIME
+1175
+ITEM: POSITIONS
+1, 1, 0.000623594, 4.61937, -5
+ITEM: TIME
+1176
+ITEM: POSITIONS
+1, 1, -0.626047, 4.64885, -4.75576
+ITEM: TIME
+1177
+ITEM: POSITIONS
+1, 1, -1.24284, 4.67719, -4.046
+ITEM: TIME
+1178
+ITEM: POSITIONS
+1, 1, -1.84004, 4.70438, -2.94019
+ITEM: TIME
+1179
+ITEM: POSITIONS
+1, 1, -2.40822, 4.7304, -1.54657
+ITEM: TIME
+1180
+ITEM: POSITIONS
+1, 1, -2.93842, 4.75526, -0.00156562
+ITEM: TIME
+1181
+ITEM: POSITIONS
+1, 1, -3.42228, 4.77894, 1.54359
+ITEM: TIME
+1182
+ITEM: POSITIONS
+1, 1, -3.85217, 4.80145, 2.93766
+ITEM: TIME
+1183
+ITEM: POSITIONS
+1, 1, -4.2213, 4.82277, 4.04416
+ITEM: TIME
+1184
+ITEM: POSITIONS
+1, 1, -4.52387, 4.8429, 4.7548
+ITEM: TIME
+1185
+ITEM: POSITIONS
+1, 1, -4.75509, 4.86183, 5
+ITEM: TIME
+1186
+ITEM: POSITIONS
+1, 1, -4.91132, 4.87957, 4.75577
+ITEM: TIME
+1187
+ITEM: POSITIONS
+1, 1, -4.99009, 4.8961, 4.04601
+ITEM: TIME
+1188
+ITEM: POSITIONS
+1, 1, -4.99017, 4.91142, 2.9402
+ITEM: TIME
+1189
+ITEM: POSITIONS
+1, 1, -4.91155, 4.92553, 1.54659
+ITEM: TIME
+1190
+ITEM: POSITIONS
+1, 1, -4.75548, 4.93843, 0.00157889
+ITEM: TIME
+1191
+ITEM: POSITIONS
+1, 1, -4.5244, 4.95011, -1.54358
+ITEM: TIME
+1192
+ITEM: POSITIONS
+1, 1, -4.22198, 4.96056, -2.93765
+ITEM: TIME
+1193
+ITEM: POSITIONS
+1, 1, -3.85297, 4.9698, -4.04415
+ITEM: TIME
+1194
+ITEM: POSITIONS
+1, 1, -3.4232, 4.9778, -4.75479
+ITEM: TIME
+1195
+ITEM: POSITIONS
+1, 1, -2.93944, 4.98458, -5
+ITEM: TIME
+1196
+ITEM: POSITIONS
+1, 1, -2.40932, 4.99013, -4.75577
+ITEM: TIME
+1197
+ITEM: POSITIONS
+1, 1, -1.84121, 4.99445, -4.04602
+ITEM: TIME
+1198
+ITEM: POSITIONS
+1, 1, -1.24407, 4.99753, -2.94021
+ITEM: TIME
+1199
+ITEM: POSITIONS
+1, 1, -0.627297, 4.99938, -1.5466
+ITEM: TIME
+1200
+ITEM: POSITIONS
+1, 1, -0.000636862, 5, -0.00159215
+ITEM: TIME
+1201
+ITEM: POSITIONS
+1, 1, 0.626034, 4.99938, 1.54357
+ITEM: TIME
+1202
+ITEM: POSITIONS
+1, 1, 1.24283, 4.99754, 2.93764
+ITEM: TIME
+1203
+ITEM: POSITIONS
+1, 1, 1.84003, 4.99445, 4.04415
+ITEM: TIME
+1204
+ITEM: POSITIONS
+1, 1, 2.40821, 4.99014, 4.75479
+ITEM: TIME
+1205
+ITEM: POSITIONS
+1, 1, 2.93841, 4.98459, 5
+ITEM: TIME
+1206
+ITEM: POSITIONS
+1, 1, 3.42227, 4.97782, 4.75578
+ITEM: TIME
+1207
+ITEM: POSITIONS
+1, 1, 3.85216, 4.96981, 4.04603
+ITEM: TIME
+1208
+ITEM: POSITIONS
+1, 1, 4.2213, 4.96058, 2.94022
+ITEM: TIME
+1209
+ITEM: POSITIONS
+1, 1, 4.52386, 4.95013, 1.54661
+ITEM: TIME
+1210
+ITEM: POSITIONS
+1, 1, 4.75508, 4.93845, 0.00160542
+ITEM: TIME
+1211
+ITEM: POSITIONS
+1, 1, 4.91132, 4.92556, -1.54356
+ITEM: TIME
+1212
+ITEM: POSITIONS
+1, 1, 4.99009, 4.91145, -2.93763
+ITEM: TIME
+1213
+ITEM: POSITIONS
+1, 1, 4.99017, 4.89613, -4.04414
+ITEM: TIME
+1214
+ITEM: POSITIONS
+1, 1, 4.91156, 4.8796, -4.75478
+ITEM: TIME
+1215
+ITEM: POSITIONS
+1, 1, 4.75548, 4.86187, -5
+ITEM: TIME
+1216
+ITEM: POSITIONS
+1, 1, 4.52441, 4.84294, -4.75578
+ITEM: TIME
+1217
+ITEM: POSITIONS
+1, 1, 4.22199, 4.82281, -4.04603
+ITEM: TIME
+1218
+ITEM: POSITIONS
+1, 1, 3.85298, 4.80149, -2.94023
+ITEM: TIME
+1219
+ITEM: POSITIONS
+1, 1, 3.42321, 4.77899, -1.54662
+ITEM: TIME
+1220
+ITEM: POSITIONS
+1, 1, 2.93945, 4.75531, -0.00161869
+ITEM: TIME
+1221
+ITEM: POSITIONS
+1, 1, 2.40934, 4.73045, 1.54354
+ITEM: TIME
+1222
+ITEM: POSITIONS
+1, 1, 1.84123, 4.70443, 2.93761
+ITEM: TIME
+1223
+ITEM: POSITIONS
+1, 1, 1.24408, 4.67725, 4.04413
+ITEM: TIME
+1224
+ITEM: POSITIONS
+1, 1, 0.627311, 4.64891, 4.75478
+ITEM: TIME
+1225
+ITEM: POSITIONS
+1, 1, 0.000650129, 4.61943, 5
+ITEM: TIME
+1226
+ITEM: POSITIONS
+1, 1, -0.626021, 4.58881, 4.75578
+ITEM: TIME
+1227
+ITEM: POSITIONS
+1, 1, -1.24282, 4.55705, 4.04604
+ITEM: TIME
+1228
+ITEM: POSITIONS
+1, 1, -1.84002, 4.52417, 2.94024
+ITEM: TIME
+1229
+ITEM: POSITIONS
+1, 1, -2.4082, 4.49017, 1.54664
+ITEM: TIME
+1230
+ITEM: POSITIONS
+1, 1, -2.9384, 4.45507, 0.00163196
+ITEM: TIME
+1231
+ITEM: POSITIONS
+1, 1, -3.42226, 4.41887, -1.54353
+ITEM: TIME
+1232
+ITEM: POSITIONS
+1, 1, -3.85215, 4.38157, -2.9376
+ITEM: TIME
+1233
+ITEM: POSITIONS
+1, 1, -4.22129, 4.3432, -4.04412
+ITEM: TIME
+1234
+ITEM: POSITIONS
+1, 1, -4.52386, 4.30375, -4.75478
+ITEM: TIME
+1235
+ITEM: POSITIONS
+1, 1, -4.75508, 4.26324, -5
+ITEM: TIME
+1236
+ITEM: POSITIONS
+1, 1, -4.91131, 4.22168, -4.75579
+ITEM: TIME
+1237
+ITEM: POSITIONS
+1, 1, -4.99009, 4.17908, -4.04605
+ITEM: TIME
+1238
+ITEM: POSITIONS
+1, 1, -4.99017, 4.13545, -2.94025
+ITEM: TIME
+1239
+ITEM: POSITIONS
+1, 1, -4.91156, 4.0908, -1.54665
+ITEM: TIME
+1240
+ITEM: POSITIONS
+1, 1, -4.75549, 4.04513, -0.00164523
+ITEM: TIME
+1241
+ITEM: POSITIONS
+1, 1, -4.52442, 3.99847, 1.54352
+ITEM: TIME
+1242
+ITEM: POSITIONS
+1, 1, -4.22199, 3.95083, 2.93759
+ITEM: TIME
+1243
+ITEM: POSITIONS
+1, 1, -3.85299, 3.9022, 4.04412
+ITEM: TIME
+1244
+ITEM: POSITIONS
+1, 1, -3.42322, 3.85262, 4.75477
+ITEM: TIME
+1245
+ITEM: POSITIONS
+1, 1, -2.93946, 3.80208, 5
+ITEM: TIME
+1246
+ITEM: POSITIONS
+1, 1, -2.40935, 3.75061, 4.75579
+ITEM: TIME
+1247
+ITEM: POSITIONS
+1, 1, -1.84124, 3.69821, 4.04606
+ITEM: TIME
+1248
+ITEM: POSITIONS
+1, 1, -1.24409, 3.6449, 2.94027
+ITEM: TIME
+1249
+ITEM: POSITIONS
+1, 1, -0.627324, 3.59069, 1.54666
+ITEM: TIME
+1250
+ITEM: POSITIONS
+1, 1, -0.000663397, 3.53559, 0.00165849
+ITEM: TIME
+1251
+ITEM: POSITIONS
+1, 1, 0.626007, 3.47962, -1.54351
+ITEM: TIME
+1252
+ITEM: POSITIONS
+1, 1, 1.24281, 3.4228, -2.93758
+ITEM: TIME
+1253
+ITEM: POSITIONS
+1, 1, 1.84, 3.36512, -4.04411
+ITEM: TIME
+1254
+ITEM: POSITIONS
+1, 1, 2.40819, 3.30662, -4.75477
+ITEM: TIME
+1255
+ITEM: POSITIONS
+1, 1, 2.93839, 3.2473, -5
+ITEM: TIME
+1256
+ITEM: POSITIONS
+1, 1, 3.42225, 3.18718, -4.7558
+ITEM: TIME
+1257
+ITEM: POSITIONS
+1, 1, 3.85214, 3.12628, -4.04607
+ITEM: TIME
+1258
+ITEM: POSITIONS
+1, 1, 4.22128, 3.0646, -2.94028
+ITEM: TIME
+1259
+ITEM: POSITIONS
+1, 1, 4.52385, 3.00217, -1.54667
+ITEM: TIME
+1260
+ITEM: POSITIONS
+1, 1, 4.75508, 2.93899, -0.00167176
+ITEM: TIME
+1261
+ITEM: POSITIONS
+1, 1, 4.91131, 2.87509, 1.54349
+ITEM: TIME
+1262
+ITEM: POSITIONS
+1, 1, 4.99009, 2.81049, 2.93757
+ITEM: TIME
+1263
+ITEM: POSITIONS
+1, 1, 4.99018, 2.74518, 4.0441
+ITEM: TIME
+1264
+ITEM: POSITIONS
+1, 1, 4.91156, 2.6792, 4.75476
+ITEM: TIME
+1265
+ITEM: POSITIONS
+1, 1, 4.75549, 2.61256, 5
+ITEM: TIME
+1266
+ITEM: POSITIONS
+1, 1, 4.52442, 2.54528, 4.7558
+ITEM: TIME
+1267
+ITEM: POSITIONS
+1, 1, 4.222, 2.47737, 4.04607
+ITEM: TIME
+1268
+ITEM: POSITIONS
+1, 1, 3.853, 2.40884, 2.94029
+ITEM: TIME
+1269
+ITEM: POSITIONS
+1, 1, 3.42323, 2.33972, 1.54669
+ITEM: TIME
+1270
+ITEM: POSITIONS
+1, 1, 2.93947, 2.27003, 0.00168503
+ITEM: TIME
+1271
+ITEM: POSITIONS
+1, 1, 2.40936, 2.19977, -1.54348
+ITEM: TIME
+1272
+ITEM: POSITIONS
+1, 1, 1.84125, 2.12897, -2.93756
+ITEM: TIME
+1273
+ITEM: POSITIONS
+1, 1, 1.2441, 2.05765, -4.04409
+ITEM: TIME
+1274
+ITEM: POSITIONS
+1, 1, 0.627337, 1.98582, -4.75476
+ITEM: TIME
+1275
+ITEM: POSITIONS
+1, 1, 0.000676665, 1.9135, -5
+ITEM: TIME
+1276
+ITEM: POSITIONS
+1, 1, -0.625994, 1.8407, -4.75581
+ITEM: TIME
+1277
+ITEM: POSITIONS
+1, 1, -1.24279, 1.76745, -4.04608
+ITEM: TIME
+1278
+ITEM: POSITIONS
+1, 1, -1.83999, 1.69377, -2.9403
+ITEM: TIME
+1279
+ITEM: POSITIONS
+1, 1, -2.40817, 1.61967, -1.5467
+ITEM: TIME
+1280
+ITEM: POSITIONS
+1, 1, -2.93838, 1.54517, -0.0016983
+ITEM: TIME
+1281
+ITEM: POSITIONS
+1, 1, -3.42224, 1.47028, 1.54347
+ITEM: TIME
+1282
+ITEM: POSITIONS
+1, 1, -3.85213, 1.39504, 2.93755
+ITEM: TIME
+1283
+ITEM: POSITIONS
+1, 1, -4.22127, 1.31945, 4.04408
+ITEM: TIME
+1284
+ITEM: POSITIONS
+1, 1, -4.52385, 1.24353, 4.75476
+ITEM: TIME
+1285
+ITEM: POSITIONS
+1, 1, -4.75507, 1.16731, 5
+ITEM: TIME
+1286
+ITEM: POSITIONS
+1, 1, -4.91131, 1.0908, 4.75581
+ITEM: TIME
+1287
+ITEM: POSITIONS
+1, 1, -4.99009, 1.01402, 4.04609
+ITEM: TIME
+1288
+ITEM: POSITIONS
+1, 1, -4.99018, 0.936991, 2.94031
+ITEM: TIME
+1289
+ITEM: POSITIONS
+1, 1, -4.91156, 0.85973, 1.54671
+ITEM: TIME
+1290
+ITEM: POSITIONS
+1, 1, -4.75549, 0.782257, 0.00171157
+ITEM: TIME
+1291
+ITEM: POSITIONS
+1, 1, -4.52443, 0.704591, -1.54346
+ITEM: TIME
+1292
+ITEM: POSITIONS
+1, 1, -4.22201, 0.626751, -2.93754
+ITEM: TIME
+1293
+ITEM: POSITIONS
+1, 1, -3.853, 0.548757, -4.04408
+ITEM: TIME
+1294
+ITEM: POSITIONS
+1, 1, -3.42324, 0.470627, -4.75475
+ITEM: TIME
+1295
+ITEM: POSITIONS
+1, 1, -2.93948, 0.392381, -5
+ITEM: TIME
+1296
+ITEM: POSITIONS
+1, 1, -2.40937, 0.314038, -4.75581
+ITEM: TIME
+1297
+ITEM: POSITIONS
+1, 1, -1.84126, 0.235618, -4.0461
+ITEM: TIME
+1298
+ITEM: POSITIONS
+1, 1, -1.24412, 0.15714, -2.94032
+ITEM: TIME
+1299
+ITEM: POSITIONS
+1, 1, -0.62735, 0.0786228, -1.54672
+ITEM: TIME
+1300
+ITEM: POSITIONS
+1, 1, -0.000689933, 8.62417e-05, -0.00172483
+ITEM: TIME
+1301
+ITEM: POSITIONS
+1, 1, 0.625981, -0.0784503, 1.54344
+ITEM: TIME
+1302
+ITEM: POSITIONS
+1, 1, 1.24278, -0.156967, 2.93753
+ITEM: TIME
+1303
+ITEM: POSITIONS
+1, 1, 1.83998, -0.235446, 4.04407
+ITEM: TIME
+1304
+ITEM: POSITIONS
+1, 1, 2.40816, -0.313866, 4.75475
+ITEM: TIME
+1305
+ITEM: POSITIONS
+1, 1, 2.93837, -0.392209, 5
+ITEM: TIME
+1306
+ITEM: POSITIONS
+1, 1, 3.42223, -0.470455, 4.75582
+ITEM: TIME
+1307
+ITEM: POSITIONS
+1, 1, 3.85212, -0.548585, 4.0461
+ITEM: TIME
+1308
+ITEM: POSITIONS
+1, 1, 4.22127, -0.62658, 2.94033
+ITEM: TIME
+1309
+ITEM: POSITIONS
+1, 1, 4.52384, -0.70442, 1.54674
+ITEM: TIME
+1310
+ITEM: POSITIONS
+1, 1, 4.75507, -0.782086, 0.0017381
+ITEM: TIME
+1311
+ITEM: POSITIONS
+1, 1, 4.91131, -0.85956, -1.54343
+ITEM: TIME
+1312
+ITEM: POSITIONS
+1, 1, 4.99009, -0.936821, -2.93752
+ITEM: TIME
+1313
+ITEM: POSITIONS
+1, 1, 4.99018, -1.01385, -4.04406
+ITEM: TIME
+1314
+ITEM: POSITIONS
+1, 1, 4.91157, -1.09063, -4.75474
+ITEM: TIME
+1315
+ITEM: POSITIONS
+1, 1, 4.7555, -1.16714, -5
+ITEM: TIME
+1316
+ITEM: POSITIONS
+1, 1, 4.52443, -1.24336, -4.75582
+ITEM: TIME
+1317
+ITEM: POSITIONS
+1, 1, 4.22201, -1.31928, -4.04611
+ITEM: TIME
+1318
+ITEM: POSITIONS
+1, 1, 3.85301, -1.39487, -2.94034
+ITEM: TIME
+1319
+ITEM: POSITIONS
+1, 1, 3.42325, -1.47012, -1.54675
+ITEM: TIME
+1320
+ITEM: POSITIONS
+1, 1, 2.93949, -1.545, -0.00175137
+ITEM: TIME
+1321
+ITEM: POSITIONS
+1, 1, 2.40938, -1.6195, 1.54342
+ITEM: TIME
+1322
+ITEM: POSITIONS
+1, 1, 1.84128, -1.69361, 2.93751
+ITEM: TIME
+1323
+ITEM: POSITIONS
+1, 1, 1.24413, -1.76729, 4.04405
+ITEM: TIME
+1324
+ITEM: POSITIONS
+1, 1, 0.627363, -1.84054, 4.75474
+ITEM: TIME
+1325
+ITEM: POSITIONS
+1, 1, 0.000703201, -1.91334, 5
+ITEM: TIME
+1326
+ITEM: POSITIONS
+1, 1, -0.625968, -1.98566, 4.75583
+ITEM: TIME
+1327
+ITEM: POSITIONS
+1, 1, -1.24277, -2.05749, 4.04612
+ITEM: TIME
+1328
+ITEM: POSITIONS
+1, 1, -1.83997, -2.12882, 2.94035
+ITEM: TIME
+1329
+ITEM: POSITIONS
+1, 1, -2.40815, -2.19962, 1.54676
+ITEM: TIME
+1330
+ITEM: POSITIONS
+1, 1, -2.93836, -2.26987, 0.00176464
+ITEM: TIME
+1331
+ITEM: POSITIONS
+1, 1, -3.42222, -2.33957, -1.54341
+ITEM: TIME
+1332
+ITEM: POSITIONS
+1, 1, -3.85212, -2.40869, -2.9375
+ITEM: TIME
+1333
+ITEM: POSITIONS
+1, 1, -4.22126, -2.47722, -4.04405
+ITEM: TIME
+1334
+ITEM: POSITIONS
+1, 1, -4.52383, -2.54513, -4.75474
+ITEM: TIME
+1335
+ITEM: POSITIONS
+1, 1, -4.75506, -2.61242, -5
+ITEM: TIME
+1336
+ITEM: POSITIONS
+1, 1, -4.9113, -2.67906, -4.75583
+ITEM: TIME
+1337
+ITEM: POSITIONS
+1, 1, -4.99009, -2.74504, -4.04613
+ITEM: TIME
+1338
+ITEM: POSITIONS
+1, 1, -4.99018, -2.81034, -2.94036
+ITEM: TIME
+1339
+ITEM: POSITIONS
+1, 1, -4.91157, -2.87495, -1.54677
+ITEM: TIME
+1340
+ITEM: POSITIONS
+1, 1, -4.7555, -2.93885, -0.00177791
+ITEM: TIME
+1341
+ITEM: POSITIONS
+1, 1, -4.52444, -3.00203, 1.54339
+ITEM: TIME
+1342
+ITEM: POSITIONS
+1, 1, -4.22202, -3.06446, 2.93749
+ITEM: TIME
+1343
+ITEM: POSITIONS
+1, 1, -3.85302, -3.12614, 4.04404
+ITEM: TIME
+1344
+ITEM: POSITIONS
+1, 1, -3.42326, -3.18705, 4.75473
+ITEM: TIME
+1345
+ITEM: POSITIONS
+1, 1, -2.9395, -3.24717, 5
+ITEM: TIME
+1346
+ITEM: POSITIONS
+1, 1, -2.40939, -3.30649, 4.75583
+ITEM: TIME
+1347
+ITEM: POSITIONS
+1, 1, -1.84129, -3.365, 4.04614
+ITEM: TIME
+1348
+ITEM: POSITIONS
+1, 1, -1.24414, -3.42267, 2.94037
+ITEM: TIME
+1349
+ITEM: POSITIONS
+1, 1, -0.627376, -3.4795, 1.54679
+ITEM: TIME
+1350
+ITEM: POSITIONS
+1, 1, -0.000716469, -3.53547, 0.00179117
+ITEM: TIME
+1351
+ITEM: POSITIONS
+1, 1, 0.625955, -3.59057, -1.54338
+ITEM: TIME
+1352
+ITEM: POSITIONS
+1, 1, 1.24275, -3.64478, -2.93747
+ITEM: TIME
+1353
+ITEM: POSITIONS
+1, 1, 1.83996, -3.6981, -4.04403
+ITEM: TIME
+1354
+ITEM: POSITIONS
+1, 1, 2.40814, -3.7505, -4.75473
+ITEM: TIME
+1355
+ITEM: POSITIONS
+1, 1, 2.93834, -3.80197, -5
+ITEM: TIME
+1356
+ITEM: POSITIONS
+1, 1, 3.42221, -3.85251, -4.75584
+ITEM: TIME
+1357
+ITEM: POSITIONS
+1, 1, 3.85211, -3.9021, -4.04614
+ITEM: TIME
+1358
+ITEM: POSITIONS
+1, 1, 4.22125, -3.95072, -2.94038
+ITEM: TIME
+1359
+ITEM: POSITIONS
+1, 1, 4.52383, -3.99837, -1.5468
+ITEM: TIME
+1360
+ITEM: POSITIONS
+1, 1, 4.75506, -4.04503, -0.00180444
+ITEM: TIME
+1361
+ITEM: POSITIONS
+1, 1, 4.9113, -4.0907, 1.54337
+ITEM: TIME
+1362
+ITEM: POSITIONS
+1, 1, 4.99009, -4.13535, 2.93746
+ITEM: TIME
+1363
+ITEM: POSITIONS
+1, 1, 4.99018, -4.17899, 4.04402
+ITEM: TIME
+1364
+ITEM: POSITIONS
+1, 1, 4.91157, -4.22159, 4.75472
+ITEM: TIME
+1365
+ITEM: POSITIONS
+1, 1, 4.75551, -4.26315, 5
+ITEM: TIME
+1366
+ITEM: POSITIONS
+1, 1, 4.52444, -4.30366, 4.75584
+ITEM: TIME
+1367
+ITEM: POSITIONS
+1, 1, 4.22203, -4.34311, 4.04615
+ITEM: TIME
+1368
+ITEM: POSITIONS
+1, 1, 3.85303, -4.38149, 2.94039
+ITEM: TIME
+1369
+ITEM: POSITIONS
+1, 1, 3.42327, -4.41879, 1.54681
+ITEM: TIME
+1370
+ITEM: POSITIONS
+1, 1, 2.93951, -4.45499, 0.00181771
+ITEM: TIME
+1371
+ITEM: POSITIONS
+1, 1, 2.40941, -4.4901, -1.54335
+ITEM: TIME
+1372
+ITEM: POSITIONS
+1, 1, 1.8413, -4.5241, -2.93745
+ITEM: TIME
+1373
+ITEM: POSITIONS
+1, 1, 1.24416, -4.55698, -4.04401
+ITEM: TIME
+1374
+ITEM: POSITIONS
+1, 1, 0.62739, -4.58874, -4.75472
+ITEM: TIME
+1375
+ITEM: POSITIONS
+1, 1, 0.000729737, -4.61936, -5
+ITEM: TIME
+1376
+ITEM: POSITIONS
+1, 1, -0.625942, -4.64885, -4.75585
+ITEM: TIME
+1377
+ITEM: POSITIONS
+1, 1, -1.24274, -4.67719, -4.04616
+ITEM: TIME
+1378
+ITEM: POSITIONS
+1, 1, -1.83994, -4.70437, -2.94041
+ITEM: TIME
+1379
+ITEM: POSITIONS
+1, 1, -2.40813, -4.7304, -1.54682
+ITEM: TIME
+1380
+ITEM: POSITIONS
+1, 1, -2.93833, -4.75525, -0.00183098
+ITEM: TIME
+1381
+ITEM: POSITIONS
+1, 1, -3.4222, -4.77894, 1.54334
+ITEM: TIME
+1382
+ITEM: POSITIONS
+1, 1, -3.8521, -4.80144, 2.93744
+ITEM: TIME
+1383
+ITEM: POSITIONS
+1, 1, -4.22125, -4.82276, 4.04401
+ITEM: TIME
+1384
+ITEM: POSITIONS
+1, 1, -4.52382, -4.84289, 4.75471
+ITEM: TIME
+1385
+ITEM: POSITIONS
+1, 1, -4.75506, -4.86183, 5
+ITEM: TIME
+1386
+ITEM: POSITIONS
+1, 1, -4.9113, -4.87956, 4.75585
+ITEM: TIME
+1387
+ITEM: POSITIONS
+1, 1, -4.99009, -4.8961, 4.04617
+ITEM: TIME
+1388
+ITEM: POSITIONS
+1, 1, -4.99018, -4.91142, 2.94042
+ITEM: TIME
+1389
+ITEM: POSITIONS
+1, 1, -4.91157, -4.92553, 1.54684
+ITEM: TIME
+1390
+ITEM: POSITIONS
+1, 1, -4.75551, -4.93843, 0.00184424
+ITEM: TIME
+1391
+ITEM: POSITIONS
+1, 1, -4.52445, -4.95011, -1.54333
+ITEM: TIME
+1392
+ITEM: POSITIONS
+1, 1, -4.22204, -4.96056, -2.93743
+ITEM: TIME
+1393
+ITEM: POSITIONS
+1, 1, -3.85304, -4.96979, -4.044
+ITEM: TIME
+1394
+ITEM: POSITIONS
+1, 1, -3.42327, -4.9778, -4.75471
+ITEM: TIME
+1395
+ITEM: POSITIONS
+1, 1, -2.93953, -4.98458, -5
+ITEM: TIME
+1396
+ITEM: POSITIONS
+1, 1, -2.40942, -4.99013, -4.75585
+ITEM: TIME
+1397
+ITEM: POSITIONS
+1, 1, -1.84131, -4.99445, -4.04617
+ITEM: TIME
+1398
+ITEM: POSITIONS
+1, 1, -1.24417, -4.99753, -2.94043
+ITEM: TIME
+1399
+ITEM: POSITIONS
+1, 1, -0.627403, -4.99938, -1.54685
+ITEM: TIME
+1400
+ITEM: POSITIONS
+1, 1, -0.000743005, -5, -0.00185751
+ITEM: TIME
+1401
+ITEM: POSITIONS
+1, 1, 0.625928, -4.99938, 1.54332
+ITEM: TIME
+1402
+ITEM: POSITIONS
+1, 1, 1.24273, -4.99754, 2.93742
+ITEM: TIME
+1403
+ITEM: POSITIONS
+1, 1, 1.83993, -4.99445, 4.04399
+ITEM: TIME
+1404
+ITEM: POSITIONS
+1, 1, 2.40812, -4.99014, 4.75471
+ITEM: TIME
+1405
+ITEM: POSITIONS
+1, 1, 2.93832, -4.98459, 5
+ITEM: TIME
+1406
+ITEM: POSITIONS
+1, 1, 3.42219, -4.97782, 4.75586
+ITEM: TIME
+1407
+ITEM: POSITIONS
+1, 1, 3.85209, -4.96982, 4.04618
+ITEM: TIME
+1408
+ITEM: POSITIONS
+1, 1, 4.22124, -4.96059, 2.94044
+ITEM: TIME
+1409
+ITEM: POSITIONS
+1, 1, 4.52382, -4.95013, 1.54686
+ITEM: TIME
+1410
+ITEM: POSITIONS
+1, 1, 4.75505, -4.93846, 0.00187078
+ITEM: TIME
+1411
+ITEM: POSITIONS
+1, 1, 4.9113, -4.92556, -1.5433
+ITEM: TIME
+1412
+ITEM: POSITIONS
+1, 1, 4.99009, -4.91145, -2.93741
+ITEM: TIME
+1413
+ITEM: POSITIONS
+1, 1, 4.99018, -4.89613, -4.04398
+ITEM: TIME
+1414
+ITEM: POSITIONS
+1, 1, 4.91158, -4.8796, -4.7547
+ITEM: TIME
+1415
+ITEM: POSITIONS
+1, 1, 4.75551, -4.86187, -5
+ITEM: TIME
+1416
+ITEM: POSITIONS
+1, 1, 4.52446, -4.84294, -4.75586
+ITEM: TIME
+1417
+ITEM: POSITIONS
+1, 1, 4.22204, -4.82281, -4.04619
+ITEM: TIME
+1418
+ITEM: POSITIONS
+1, 1, 3.85305, -4.80149, -2.94045
+ITEM: TIME
+1419
+ITEM: POSITIONS
+1, 1, 3.42328, -4.77899, -1.54688
+ITEM: TIME
+1420
+ITEM: POSITIONS
+1, 1, 2.93954, -4.75531, -0.00188405
+ITEM: TIME
+1421
+ITEM: POSITIONS
+1, 1, 2.40943, -4.73046, 1.54329
+ITEM: TIME
+1422
+ITEM: POSITIONS
+1, 1, 1.84132, -4.70444, 2.9374
+ITEM: TIME
+1423
+ITEM: POSITIONS
+1, 1, 1.24418, -4.67725, 4.04397
+ITEM: TIME
+1424
+ITEM: POSITIONS
+1, 1, 0.627416, -4.64892, 4.7547
+ITEM: TIME
+1425
+ITEM: POSITIONS
+1, 1, 0.000756273, -4.61943, 5
+ITEM: TIME
+1426
+ITEM: POSITIONS
+1, 1, -0.625915, -4.58881, 4.75587
+ITEM: TIME
+1427
+ITEM: POSITIONS
+1, 1, -1.24272, -4.55706, 4.0462
+ITEM: TIME
+1428
+ITEM: POSITIONS
+1, 1, -1.83992, -4.52418, 2.94046
+ITEM: TIME
+1429
+ITEM: POSITIONS
+1, 1, -2.4081, -4.49018, 1.54689
+ITEM: TIME
+1430
+ITEM: POSITIONS
+1, 1, -2.93831, -4.45508, 0.00189732
+ITEM: TIME
+1431
+ITEM: POSITIONS
+1, 1, -3.42218, -4.41887, -1.54328
+ITEM: TIME
+1432
+ITEM: POSITIONS
+1, 1, -3.85208, -4.38158, -2.93739
+ITEM: TIME
+1433
+ITEM: POSITIONS
+1, 1, -4.22123, -4.3432, -4.04397
+ITEM: TIME
+1434
+ITEM: POSITIONS
+1, 1, -4.52381, -4.30376, -4.75469
+ITEM: TIME
+1435
+ITEM: POSITIONS
+1, 1, -4.75505, -4.26325, -5
+ITEM: TIME
+1436
+ITEM: POSITIONS
+1, 1, -4.91129, -4.22169, -4.75587
+ITEM: TIME
+1437
+ITEM: POSITIONS
+1, 1, -4.99009, -4.17909, -4.04621
+ITEM: TIME
+1438
+ITEM: POSITIONS
+1, 1, -4.99018, -4.13546, -2.94047
+ITEM: TIME
+1439
+ITEM: POSITIONS
+1, 1, -4.91158, -4.0908, -1.5469
+ITEM: TIME
+1440
+ITEM: POSITIONS
+1, 1, -4.75552, -4.04514, -0.00191058
+ITEM: TIME
+1441
+ITEM: POSITIONS
+1, 1, -4.52446, -3.99848, 1.54327
+ITEM: TIME
+1442
+ITEM: POSITIONS
+1, 1, -4.22205, -3.95083, 2.93738
+ITEM: TIME
+1443
+ITEM: POSITIONS
+1, 1, -3.85305, -3.90221, 4.04396
+ITEM: TIME
+1444
+ITEM: POSITIONS
+1, 1, -3.42329, -3.85263, 4.75469
+ITEM: TIME
+1445
+ITEM: POSITIONS
+1, 1, -2.93955, -3.80209, 5
+ITEM: TIME
+1446
+ITEM: POSITIONS
+1, 1, -2.40944, -3.75062, 4.75588
+ITEM: TIME
+1447
+ITEM: POSITIONS
+1, 1, -1.84134, -3.69822, 4.04621
+ITEM: TIME
+1448
+ITEM: POSITIONS
+1, 1, -1.24419, -3.64491, 2.94048
+ITEM: TIME
+1449
+ITEM: POSITIONS
+1, 1, -0.627429, -3.5907, 1.54691
+ITEM: TIME
+1450
+ITEM: POSITIONS
+1, 1, -0.000769541, -3.5356, 0.00192385
+ITEM: TIME
+1451
+ITEM: POSITIONS
+1, 1, 0.625902, -3.47963, -1.54325
+ITEM: TIME
+1452
+ITEM: POSITIONS
+1, 1, 1.2427, -3.42281, -2.93737
+ITEM: TIME
+1453
+ITEM: POSITIONS
+1, 1, 1.83991, -3.36513, -4.04395
+ITEM: TIME
+1454
+ITEM: POSITIONS
+1, 1, 2.40809, -3.30663, -4.75469
+ITEM: TIME
+1455
+ITEM: POSITIONS
+1, 1, 2.9383, -3.24731, -5
+ITEM: TIME
+1456
+ITEM: POSITIONS
+1, 1, 3.42217, -3.18719, -4.75588
+ITEM: TIME
+1457
+ITEM: POSITIONS
+1, 1, 3.85207, -3.12629, -4.04622
+ITEM: TIME
+1458
+ITEM: POSITIONS
+1, 1, 4.22122, -3.06461, -2.94049
+ITEM: TIME
+1459
+ITEM: POSITIONS
+1, 1, 4.52381, -3.00218, -1.54693
+ITEM: TIME
+1460
+ITEM: POSITIONS
+1, 1, 4.75504, -2.939, -0.00193712
+ITEM: TIME
+1461
+ITEM: POSITIONS
+1, 1, 4.91129, -2.87511, 1.54324
+ITEM: TIME
+1462
+ITEM: POSITIONS
+1, 1, 4.99008, -2.8105, 2.93736
+ITEM: TIME
+1463
+ITEM: POSITIONS
+1, 1, 4.99018, -2.7452, 4.04394
+ITEM: TIME
+1464
+ITEM: POSITIONS
+1, 1, 4.91158, -2.67922, 4.75468
+ITEM: TIME
+1465
+ITEM: POSITIONS
+1, 1, 4.75552, -2.61258, 5
+ITEM: TIME
+1466
+ITEM: POSITIONS
+1, 1, 4.52447, -2.54529, 4.75588
+ITEM: TIME
+1467
+ITEM: POSITIONS
+1, 1, 4.22206, -2.47738, 4.04623
+ITEM: TIME
+1468
+ITEM: POSITIONS
+1, 1, 3.85306, -2.40885, 2.9405
+ITEM: TIME
+1469
+ITEM: POSITIONS
+1, 1, 3.4233, -2.33974, 1.54694
+ITEM: TIME
+1470
+ITEM: POSITIONS
+1, 1, 2.93956, -2.27004, 0.00195039
+ITEM: TIME
+1471
+ITEM: POSITIONS
+1, 1, 2.40945, -2.19978, -1.54323
+ITEM: TIME
+1472
+ITEM: POSITIONS
+1, 1, 1.84135, -2.12898, -2.93735
+ITEM: TIME
+1473
+ITEM: POSITIONS
+1, 1, 1.24421, -2.05766, -4.04394
+ITEM: TIME
+1474
+ITEM: POSITIONS
+1, 1, 0.627442, -1.98583, -4.75468
+ITEM: TIME
+1475
+ITEM: POSITIONS
+1, 1, 0.000782809, -1.91351, -5
+ITEM: TIME
+1476
+ITEM: POSITIONS
+1, 1, -0.625889, -1.84071, -4.75589
+ITEM: TIME
+1477
+ITEM: POSITIONS
+1, 1, -1.24269, -1.76747, -4.04624
+ITEM: TIME
+1478
+ITEM: POSITIONS
+1, 1, -1.83989, -1.69378, -2.94051
+ITEM: TIME
+1479
+ITEM: POSITIONS
+1, 1, -2.40808, -1.61968, -1.54695
+ITEM: TIME
+1480
+ITEM: POSITIONS
+1, 1, -2.93829, -1.54518, -0.00196366
+ITEM: TIME
+1481
+ITEM: POSITIONS
+1, 1, -3.42216, -1.4703, 1.54322
+ITEM: TIME
+1482
+ITEM: POSITIONS
+1, 1, -3.85206, -1.39505, 2.93734
+ITEM: TIME
+1483
+ITEM: POSITIONS
+1, 1, -4.22122, -1.31946, 4.04393
+ITEM: TIME
+1484
+ITEM: POSITIONS
+1, 1, -4.5238, -1.24354, 4.75467
+ITEM: TIME
+1485
+ITEM: POSITIONS
+1, 1, -4.75504, -1.16732, 5
+ITEM: TIME
+1486
+ITEM: POSITIONS
+1, 1, -4.91129, -1.09081, 4.75589
+ITEM: TIME
+1487
+ITEM: POSITIONS
+1, 1, -4.99008, -1.01403, 4.04624
+ITEM: TIME
+1488
+ITEM: POSITIONS
+1, 1, -4.99018, -0.937004, 2.94052
+ITEM: TIME
+1489
+ITEM: POSITIONS
+1, 1, -4.91158, -0.859743, 1.54696
+ITEM: TIME
+1490
+ITEM: POSITIONS
+1, 1, -4.75553, -0.78227, 0.00197692
+ITEM: TIME
+1491
+ITEM: POSITIONS
+1, 1, -4.52447, -0.704604, -1.5432
+ITEM: TIME
+1492
+ITEM: POSITIONS
+1, 1, -4.22206, -0.626764, -2.93732
+ITEM: TIME
+1493
+ITEM: POSITIONS
+1, 1, -3.85307, -0.54877, -4.04392
+ITEM: TIME
+1494
+ITEM: POSITIONS
+1, 1, -3.42331, -0.47064, -4.75467
+ITEM: TIME
+1495
+ITEM: POSITIONS
+1, 1, -2.93957, -0.392394, -5
+ITEM: TIME
+1496
+ITEM: POSITIONS
+1, 1, -2.40946, -0.314052, -4.7559
+ITEM: TIME
+1497
+ITEM: POSITIONS
+1, 1, -1.84136, -0.235631, -4.04625
+ITEM: TIME
+1498
+ITEM: POSITIONS
+1, 1, -1.24422, -0.157153, -2.94053
+ITEM: TIME
+1499
+ITEM: POSITIONS
+1, 1, -0.627455, -0.078636, -1.54698
+ITEM: TIME
+1500
+ITEM: POSITIONS
+1, 1, -0.000796077, -9.95096e-05, -0.00199019
+ITEM: TIME
+1501
+ITEM: POSITIONS
+1, 1, 0.625876, 0.078437, 1.54319
+ITEM: TIME
+1502
+ITEM: POSITIONS
+1, 1, 1.24268, 0.156954, 2.93731
+ITEM: TIME
+1503
+ITEM: POSITIONS
+1, 1, 1.83988, 0.235433, 4.04391
+ITEM: TIME
+1504
+ITEM: POSITIONS
+1, 1, 2.40807, 0.313853, 4.75467
+ITEM: TIME
+1505
+ITEM: POSITIONS
+1, 1, 2.93828, 0.392196, 5
+ITEM: TIME
+1506
+ITEM: POSITIONS
+1, 1, 3.42215, 0.470442, 4.7559
+ITEM: TIME
+1507
+ITEM: POSITIONS
+1, 1, 3.85206, 0.548572, 4.04626
+ITEM: TIME
+1508
+ITEM: POSITIONS
+1, 1, 4.22121, 0.626567, 2.94054
+ITEM: TIME
+1509
+ITEM: POSITIONS
+1, 1, 4.52379, 0.704407, 1.54699
+ITEM: TIME
+1510
+ITEM: POSITIONS
+1, 1, 4.75503, 0.782073, 0.00200346
+ITEM: TIME
+1511
+ITEM: POSITIONS
+1, 1, 4.91129, 0.859547, -1.54318
+ITEM: TIME
+1512
+ITEM: POSITIONS
+1, 1, 4.99008, 0.936808, -2.9373
+ITEM: TIME
+1513
+ITEM: POSITIONS
+1, 1, 4.99018, 1.01384, -4.0439
+ITEM: TIME
+1514
+ITEM: POSITIONS
+1, 1, 4.91159, 1.09062, -4.75466
+ITEM: TIME
+1515
+ITEM: POSITIONS
+1, 1, 4.75553, 1.16713, -5
+ITEM: TIME
+1516
+ITEM: POSITIONS
+1, 1, 4.52448, 1.24335, -4.7559
+ITEM: TIME
+1517
+ITEM: POSITIONS
+1, 1, 4.22207, 1.31927, -4.04627
+ITEM: TIME
+1518
+ITEM: POSITIONS
+1, 1, 3.85308, 1.39486, -2.94056
+ITEM: TIME
+1519
+ITEM: POSITIONS
+1, 1, 3.42332, 1.47011, -1.547
+ITEM: TIME
+1520
+ITEM: POSITIONS
+1, 1, 2.93958, 1.54499, -0.00201673
+ITEM: TIME
+1521
+ITEM: POSITIONS
+1, 1, 2.40948, 1.61949, 1.54317
+ITEM: TIME
+1522
+ITEM: POSITIONS
+1, 1, 1.84137, 1.69359, 2.93729
+ITEM: TIME
+1523
+ITEM: POSITIONS
+1, 1, 1.24423, 1.76728, 4.0439
+ITEM: TIME
+1524
+ITEM: POSITIONS
+1, 1, 0.627469, 1.84053, 4.75466
+ITEM: TIME
+1525
+ITEM: POSITIONS
+1, 1, 0.000809345, 1.91332, 5
+ITEM: TIME
+1526
+ITEM: POSITIONS
+1, 1, -0.625863, 1.98565, 4.75591
+ITEM: TIME
+1527
+ITEM: POSITIONS
+1, 1, -1.24266, 2.05748, 4.04628
+ITEM: TIME
+1528
+ITEM: POSITIONS
+1, 1, -1.83987, 2.1288, 2.94057
+ITEM: TIME
+1529
+ITEM: POSITIONS
+1, 1, -2.40806, 2.1996, 1.54701
+ITEM: TIME
+1530
+ITEM: POSITIONS
+1, 1, -2.93827, 2.26986, 0.00203
+ITEM: TIME
+1531
+ITEM: POSITIONS
+1, 1, -3.42214, 2.33956, -1.54315
+ITEM: TIME
+1532
+ITEM: POSITIONS
+1, 1, -3.85205, 2.40868, -2.93728
+ITEM: TIME
+1533
+ITEM: POSITIONS
+1, 1, -4.2212, 2.47721, -4.04389
+ITEM: TIME
+1534
+ITEM: POSITIONS
+1, 1, -4.52379, 2.54512, -4.75465
+ITEM: TIME
+1535
+ITEM: POSITIONS
+1, 1, -4.75503, 2.61241, -5
+ITEM: TIME
+1536
+ITEM: POSITIONS
+1, 1, -4.91128, 2.67905, -4.75591
+ITEM: TIME
+1537
+ITEM: POSITIONS
+1, 1, -4.99008, 2.74503, -4.04628
+ITEM: TIME
+1538
+ITEM: POSITIONS
+1, 1, -4.99018, 2.81033, -2.94058
+ITEM: TIME
+1539
+ITEM: POSITIONS
+1, 1, -4.91159, 2.87494, -1.54703
+ITEM: TIME
+1540
+ITEM: POSITIONS
+1, 1, -4.75554, 2.93884, -0.00204326
+ITEM: TIME
+1541
+ITEM: POSITIONS
+1, 1, -4.52448, 3.00202, 1.54314
+ITEM: TIME
+1542
+ITEM: POSITIONS
+1, 1, -4.22208, 3.06445, 2.93727
+ITEM: TIME
+1543
+ITEM: POSITIONS
+1, 1, -3.85309, 3.12613, 4.04388
+ITEM: TIME
+1544
+ITEM: POSITIONS
+1, 1, -3.42333, 3.18704, 4.75465
+ITEM: TIME
+1545
+ITEM: POSITIONS
+1, 1, -2.93959, 3.24716, 5
+ITEM: TIME
+1546
+ITEM: POSITIONS
+1, 1, -2.40949, 3.30648, 4.75592
+ITEM: TIME
+1547
+ITEM: POSITIONS
+1, 1, -1.84139, 3.36499, 4.04629
+ITEM: TIME
+1548
+ITEM: POSITIONS
+1, 1, -1.24425, 3.42266, 2.94059
+ITEM: TIME
+1549
+ITEM: POSITIONS
+1, 1, -0.627482, 3.47949, 1.54704
+ITEM: TIME
+1550
+ITEM: POSITIONS
+1, 1, -0.000822613, 3.53546, 0.00205653
+ITEM: TIME
+1551
+ITEM: POSITIONS
+1, 1, 0.62585, 3.59056, -1.54313
+ITEM: TIME
+1552
+ITEM: POSITIONS
+1, 1, 1.24265, 3.64477, -2.93726
+ITEM: TIME
+1553
+ITEM: POSITIONS
+1, 1, 1.83986, 3.69809, -4.04387
+ITEM: TIME
+1554
+ITEM: POSITIONS
+1, 1, 2.40805, 3.75049, -4.75465
+ITEM: TIME
+1555
+ITEM: POSITIONS
+1, 1, 2.93826, 3.80196, -5
+ITEM: TIME
+1556
+ITEM: POSITIONS
+1, 1, 3.42213, 3.8525, -4.75592
+ITEM: TIME
+1557
+ITEM: POSITIONS
+1, 1, 3.85204, 3.90209, -4.0463
+ITEM: TIME
+1558
+ITEM: POSITIONS
+1, 1, 4.2212, 3.95071, -2.9406
+ITEM: TIME
+1559
+ITEM: POSITIONS
+1, 1, 4.52378, 3.99836, -1.54705
+ITEM: TIME
+1560
+ITEM: POSITIONS
+1, 1, 4.75503, 4.04502, -0.0020698
+ITEM: TIME
+1561
+ITEM: POSITIONS
+1, 1, 4.91128, 4.09069, 1.54312
+ITEM: TIME
+1562
+ITEM: POSITIONS
+1, 1, 4.99008, 4.13534, 2.93725
+ITEM: TIME
+1563
+ITEM: POSITIONS
+1, 1, 4.99019, 4.17898, 4.04387
+ITEM: TIME
+1564
+ITEM: POSITIONS
+1, 1, 4.91159, 4.22158, 4.75464
+ITEM: TIME
+1565
+ITEM: POSITIONS
+1, 1, 4.75554, 4.26315, 5
+ITEM: TIME
+1566
+ITEM: POSITIONS
+1, 1, 4.52449, 4.30366, 4.75592
+ITEM: TIME
+1567
+ITEM: POSITIONS
+1, 1, 4.22209, 4.34311, 4.04631
+ITEM: TIME
+1568
+ITEM: POSITIONS
+1, 1, 3.8531, 4.38148, 2.94061
+ITEM: TIME
+1569
+ITEM: POSITIONS
+1, 1, 3.42334, 4.41878, 1.54706
+ITEM: TIME
+1570
+ITEM: POSITIONS
+1, 1, 2.9396, 4.45499, 0.00208307
+ITEM: TIME
+1571
+ITEM: POSITIONS
+1, 1, 2.4095, 4.49009, -1.5431
+ITEM: TIME
+1572
+ITEM: POSITIONS
+1, 1, 1.8414, 4.52409, -2.93724
+ITEM: TIME
+1573
+ITEM: POSITIONS
+1, 1, 1.24426, 4.55697, -4.04386
+ITEM: TIME
+1574
+ITEM: POSITIONS
+1, 1, 0.627495, 4.58873, -4.75464
+ITEM: TIME
+1575
+ITEM: POSITIONS
+1, 1, 0.000835881, 4.61936, -5
+ITEM: TIME
+1576
+ITEM: POSITIONS
+1, 1, -0.625836, 4.64884, -4.75593
+ITEM: TIME
+1577
+ITEM: POSITIONS
+1, 1, -1.24264, 4.67718, -4.04631
+ITEM: TIME
+1578
+ITEM: POSITIONS
+1, 1, -1.83984, 4.70437, -2.94062
+ITEM: TIME
+1579
+ITEM: POSITIONS
+1, 1, -2.40803, 4.73039, -1.54708
+ITEM: TIME
+1580
+ITEM: POSITIONS
+1, 1, -2.93825, 4.75525, -0.00209634
+ITEM: TIME
+1581
+ITEM: POSITIONS
+1, 1, -3.42212, 4.77893, 1.54309
+ITEM: TIME
+1582
+ITEM: POSITIONS
+1, 1, -3.85203, 4.80144, 2.93723
+ITEM: TIME
+1583
+ITEM: POSITIONS
+1, 1, -4.22119, 4.82276, 4.04385
+ITEM: TIME
+1584
+ITEM: POSITIONS
+1, 1, -4.52378, 4.84289, 4.75463
+ITEM: TIME
+1585
+ITEM: POSITIONS
+1, 1, -4.75502, 4.86183, 5
+ITEM: TIME
+1586
+ITEM: POSITIONS
+1, 1, -4.91128, 4.87956, 4.75593
+ITEM: TIME
+1587
+ITEM: POSITIONS
+1, 1, -4.99008, 4.89609, 4.04632
+ITEM: TIME
+1588
+ITEM: POSITIONS
+1, 1, -4.99019, 4.91142, 2.94063
+ITEM: TIME
+1589
+ITEM: POSITIONS
+1, 1, -4.91159, 4.92553, 1.54709
+ITEM: TIME
+1590
+ITEM: POSITIONS
+1, 1, -4.75554, 4.93843, 0.0021096
+ITEM: TIME
+1591
+ITEM: POSITIONS
+1, 1, -4.52449, 4.9501, -1.54308
+ITEM: TIME
+1592
+ITEM: POSITIONS
+1, 1, -4.22209, 4.96056, -2.93722
+ITEM: TIME
+1593
+ITEM: POSITIONS
+1, 1, -3.85311, 4.96979, -4.04384
+ITEM: TIME
+1594
+ITEM: POSITIONS
+1, 1, -3.42335, 4.9778, -4.75463
+ITEM: TIME
+1595
+ITEM: POSITIONS
+1, 1, -2.93961, 4.98458, -5
+ITEM: TIME
+1596
+ITEM: POSITIONS
+1, 1, -2.40951, 4.99013, -4.75594
+ITEM: TIME
+1597
+ITEM: POSITIONS
+1, 1, -1.84141, 4.99444, -4.04633
+ITEM: TIME
+1598
+ITEM: POSITIONS
+1, 1, -1.24427, 4.99753, -2.94064
+ITEM: TIME
+1599
+ITEM: POSITIONS
+1, 1, -0.627508, 4.99938, -1.5471
+ITEM: TIME
+1600
+ITEM: POSITIONS
+1, 1, -0.000849149, 5, -0.00212287
+ITEM: TIME
+1601
+ITEM: POSITIONS
+1, 1, 0.625823, 4.99938, 1.54306
+ITEM: TIME
+1602
+ITEM: POSITIONS
+1, 1, 1.24263, 4.99754, 2.93721
+ITEM: TIME
+1603
+ITEM: POSITIONS
+1, 1, 1.83983, 4.99445, 4.04383
+ITEM: TIME
+1604
+ITEM: POSITIONS
+1, 1, 2.40802, 4.99014, 4.75462
+ITEM: TIME
+1605
+ITEM: POSITIONS
+1, 1, 2.93824, 4.9846, 5
+ITEM: TIME
+1606
+ITEM: POSITIONS
+1, 1, 3.42211, 4.97782, 4.75594
+ITEM: TIME
+1607
+ITEM: POSITIONS
+1, 1, 3.85202, 4.96982, 4.04634
+ITEM: TIME
+1608
+ITEM: POSITIONS
+1, 1, 4.22118, 4.96059, 2.94065
+ITEM: TIME
+1609
+ITEM: POSITIONS
+1, 1, 4.52377, 4.95013, 1.54712
+ITEM: TIME
+1610
+ITEM: POSITIONS
+1, 1, 4.75502, 4.93846, 0.00213614
+ITEM: TIME
+1611
+ITEM: POSITIONS
+1, 1, 4.91128, 4.92557, -1.54305
+ITEM: TIME
+1612
+ITEM: POSITIONS
+1, 1, 4.99008, 4.91146, -2.9372
+ITEM: TIME
+1613
+ITEM: POSITIONS
+1, 1, 4.99019, 4.89614, -4.04383
+ITEM: TIME
+1614
+ITEM: POSITIONS
+1, 1, 4.9116, 4.87961, -4.75462
+ITEM: TIME
+1615
+ITEM: POSITIONS
+1, 1, 4.75555, 4.86187, -5
+ITEM: TIME
+1616
+ITEM: POSITIONS
+1, 1, 4.5245, 4.84294, -4.75594
+ITEM: TIME
+1617
+ITEM: POSITIONS
+1, 1, 4.2221, 4.82282, -4.04635
+ITEM: TIME
+1618
+ITEM: POSITIONS
+1, 1, 3.85311, 4.8015, -2.94066
+ITEM: TIME
+1619
+ITEM: POSITIONS
+1, 1, 3.42336, 4.779, -1.54713
+ITEM: TIME
+1620
+ITEM: POSITIONS
+1, 1, 2.93962, 4.75532, -0.00214941
+ITEM: TIME
+1621
+ITEM: POSITIONS
+1, 1, 2.40952, 4.73046, 1.54304
+ITEM: TIME
+1622
+ITEM: POSITIONS
+1, 1, 1.84142, 4.70444, 2.93718
+ITEM: TIME
+1623
+ITEM: POSITIONS
+1, 1, 1.24428, 4.67726, 4.04382
+ITEM: TIME
+1624
+ITEM: POSITIONS
+1, 1, 0.627521, 4.64892, 4.75462
+ITEM: TIME
+1625
+ITEM: POSITIONS
+1, 1, 0.000862417, 4.61944, 5
+ITEM: TIME
+1626
+ITEM: POSITIONS
+1, 1, -0.62581, 4.58882, 4.75595
+ITEM: TIME
+1627
+ITEM: POSITIONS
+1, 1, -1.24261, 4.55706, 4.04635
+ITEM: TIME
+1628
+ITEM: POSITIONS
+1, 1, -1.83982, 4.52418, 2.94067
+ITEM: TIME
+1629
+ITEM: POSITIONS
+1, 1, -2.40801, 4.49019, 1.54714
+ITEM: TIME
+1630
+ITEM: POSITIONS
+1, 1, -2.93823, 4.45508, 0.00216268
+ITEM: TIME
+1631
+ITEM: POSITIONS
+1, 1, -3.4221, 4.41888, -1.54303
+ITEM: TIME
+1632
+ITEM: POSITIONS
+1, 1, -3.85201, 4.38159, -2.93717
+ITEM: TIME
+1633
+ITEM: POSITIONS
+1, 1, -4.22118, 4.34321, -4.04381
+ITEM: TIME
+1634
+ITEM: POSITIONS
+1, 1, -4.52377, 4.30377, -4.75461
+ITEM: TIME
+1635
+ITEM: POSITIONS
+1, 1, -4.75501, 4.26326, -5
+ITEM: TIME
+1636
+ITEM: POSITIONS
+1, 1, -4.91127, 4.2217, -4.75595
+ITEM: TIME
+1637
+ITEM: POSITIONS
+1, 1, -4.99008, 4.1791, -4.04636
+ITEM: TIME
+1638
+ITEM: POSITIONS
+1, 1, -4.99019, 4.13546, -2.94068
+ITEM: TIME
+1639
+ITEM: POSITIONS
+1, 1, -4.9116, 4.09081, -1.54715
+ITEM: TIME
+1640
+ITEM: POSITIONS
+1, 1, -4.75555, 4.04515, -0.00217594
+ITEM: TIME
+1641
+ITEM: POSITIONS
+1, 1, -4.52451, 3.99849, 1.54301
+ITEM: TIME
+1642
+ITEM: POSITIONS
+1, 1, -4.22211, 3.95084, 2.93716
+ITEM: TIME
+1643
+ITEM: POSITIONS
+1, 1, -3.85312, 3.90222, 4.0438
+ITEM: TIME
+1644
+ITEM: POSITIONS
+1, 1, -3.42337, 3.85264, 4.75461
+ITEM: TIME
+1645
+ITEM: POSITIONS
+1, 1, -2.93963, 3.8021, 5
+ITEM: TIME
+1646
+ITEM: POSITIONS
+1, 1, -2.40953, 3.75063, 4.75596
+ITEM: TIME
+1647
+ITEM: POSITIONS
+1, 1, -1.84144, 3.69823, 4.04637
+ITEM: TIME
+1648
+ITEM: POSITIONS
+1, 1, -1.2443, 3.64492, 2.94069
+ITEM: TIME
+1649
+ITEM: POSITIONS
+1, 1, -0.627534, 3.59071, 1.54717
+ITEM: TIME
+1650
+ITEM: POSITIONS
+1, 1, -0.000875685, 3.53561, 0.00218921
+ITEM: TIME
+1651
+ITEM: POSITIONS
+1, 1, 0.625797, 3.47964, -1.543
+ITEM: TIME
+1652
+ITEM: POSITIONS
+1, 1, 1.2426, 3.42282, -2.93715
+ITEM: TIME
+1653
+ITEM: POSITIONS
+1, 1, 1.83981, 3.36514, -4.0438
+ITEM: TIME
+1654
+ITEM: POSITIONS
+1, 1, 2.408, 3.30664, -4.7546
+ITEM: TIME
+1655
+ITEM: POSITIONS
+1, 1, 2.93822, 3.24732, -5
+ITEM: TIME
+1656
+ITEM: POSITIONS
+1, 1, 3.42209, 3.1872, -4.75596
+ITEM: TIME
+1657
+ITEM: POSITIONS
+1, 1, 3.85201, 3.1263, -4.04638
+ITEM: TIME
+1658
+ITEM: POSITIONS
+1, 1, 4.22117, 3.06462, -2.94071
+ITEM: TIME
+1659
+ITEM: POSITIONS
+1, 1, 4.52376, 3.00219, -1.54718
+ITEM: TIME
+1660
+ITEM: POSITIONS
+1, 1, 4.75501, 2.93902, -0.00220248
+ITEM: TIME
+1661
+ITEM: POSITIONS
+1, 1, 4.91127, 2.87512, 1.54299
+ITEM: TIME
+1662
+ITEM: POSITIONS
+1, 1, 4.99008, 2.81051, 2.93714
+ITEM: TIME
+1663
+ITEM: POSITIONS
+1, 1, 4.99019, 2.74521, 4.04379
+ITEM: TIME
+1664
+ITEM: POSITIONS
+1, 1, 4.9116, 2.67923, 4.7546
+ITEM: TIME
+1665
+ITEM: POSITIONS
+1, 1, 4.75556, 2.61259, 5
+ITEM: TIME
+1666
+ITEM: POSITIONS
+1, 1, 4.52451, 2.5453, 4.75597
+ITEM: TIME
+1667
+ITEM: POSITIONS
+1, 1, 4.22211, 2.47739, 4.04638
+ITEM: TIME
+1668
+ITEM: POSITIONS
+1, 1, 3.85313, 2.40887, 2.94072
+ITEM: TIME
+1669
+ITEM: POSITIONS
+1, 1, 3.42338, 2.33975, 1.54719
+ITEM: TIME
+1670
+ITEM: POSITIONS
+1, 1, 2.93964, 2.27005, 0.00221575
+ITEM: TIME
+1671
+ITEM: POSITIONS
+1, 1, 2.40955, 2.1998, -1.54298
+ITEM: TIME
+1672
+ITEM: POSITIONS
+1, 1, 1.84145, 2.129, -2.93713
+ITEM: TIME
+1673
+ITEM: POSITIONS
+1, 1, 1.24431, 2.05767, -4.04378
+ITEM: TIME
+1674
+ITEM: POSITIONS
+1, 1, 0.627548, 1.98584, -4.7546
+ITEM: TIME
+1675
+ITEM: POSITIONS
+1, 1, 0.000888953, 1.91352, -5
+ITEM: TIME
+1676
+ITEM: POSITIONS
+1, 1, -0.625784, 1.84073, -4.75597
+ITEM: TIME
+1677
+ITEM: POSITIONS
+1, 1, -1.24259, 1.76748, -4.04639
+ITEM: TIME
+1678
+ITEM: POSITIONS
+1, 1, -1.83979, 1.69379, -2.94073
+ITEM: TIME
+1679
+ITEM: POSITIONS
+1, 1, -2.40799, 1.61969, -1.5472
+ITEM: TIME
+1680
+ITEM: POSITIONS
+1, 1, -2.9382, 1.54519, -0.00222902
+ITEM: TIME
+1681
+ITEM: POSITIONS
+1, 1, -3.42209, 1.47031, 1.54296
+ITEM: TIME
+1682
+ITEM: POSITIONS
+1, 1, -3.852, 1.39506, 2.93712
+ITEM: TIME
+1683
+ITEM: POSITIONS
+1, 1, -4.22116, 1.31947, 4.04377
+ITEM: TIME
+1684
+ITEM: POSITIONS
+1, 1, -4.52375, 1.24356, 4.75459
+ITEM: TIME
+1685
+ITEM: POSITIONS
+1, 1, -4.75501, 1.16734, 5
+ITEM: TIME
+1686
+ITEM: POSITIONS
+1, 1, -4.91127, 1.09083, 4.75597
+ITEM: TIME
+1687
+ITEM: POSITIONS
+1, 1, -4.99008, 1.01405, 4.0464
+ITEM: TIME
+1688
+ITEM: POSITIONS
+1, 1, -4.99019, 0.937017, 2.94074
+ITEM: TIME
+1689
+ITEM: POSITIONS
+1, 1, -4.9116, 0.859756, 1.54722
+ITEM: TIME
+1690
+ITEM: POSITIONS
+1, 1, -4.75556, 0.782283, 0.00224228
+ITEM: TIME
+1691
+ITEM: POSITIONS
+1, 1, -4.52452, 0.704617, -1.54295
+ITEM: TIME
+1692
+ITEM: POSITIONS
+1, 1, -4.22212, 0.626778, -2.93711
+ITEM: TIME
+1693
+ITEM: POSITIONS
+1, 1, -3.85314, 0.548783, -4.04376
+ITEM: TIME
+1694
+ITEM: POSITIONS
+1, 1, -3.42339, 0.470653, -4.75459
+ITEM: TIME
+1695
+ITEM: POSITIONS
+1, 1, -2.93965, 0.392408, -5
+ITEM: TIME
+1696
+ITEM: POSITIONS
+1, 1, -2.40956, 0.314065, -4.75598
+ITEM: TIME
+1697
+ITEM: POSITIONS
+1, 1, -1.84146, 0.235645, -4.04641
+ITEM: TIME
+1698
+ITEM: POSITIONS
+1, 1, -1.24432, 0.157166, -2.94075
+ITEM: TIME
+1699
+ITEM: POSITIONS
+1, 1, -0.627561, 0.0786493, -1.54723
+ITEM: TIME
+1700
+ITEM: POSITIONS
+1, 1, -0.000902221, 0.000112778, -0.00225555
+ITEM: TIME
+1701
+ITEM: POSITIONS
+1, 1, 0.625771, -0.0784238, 1.54294
+ITEM: TIME
+1702
+ITEM: POSITIONS
+1, 1, 1.24257, -0.156941, 2.9371
+ITEM: TIME
+1703
+ITEM: POSITIONS
+1, 1, 1.83978, -0.235419, 4.04376
+ITEM: TIME
+1704
+ITEM: POSITIONS
+1, 1, 2.40798, -0.31384, 4.75458
+ITEM: TIME
+1705
+ITEM: POSITIONS
+1, 1, 2.93819, -0.392183, 5
+ITEM: TIME
+1706
+ITEM: POSITIONS
+1, 1, 3.42208, -0.470429, 4.75598
+ITEM: TIME
+1707
+ITEM: POSITIONS
+1, 1, 3.85199, -0.548559, 4.04642
+ITEM: TIME
+1708
+ITEM: POSITIONS
+1, 1, 4.22115, -0.626554, 2.94076
+ITEM: TIME
+1709
+ITEM: POSITIONS
+1, 1, 4.52375, -0.704394, 1.54724
+ITEM: TIME
+1710
+ITEM: POSITIONS
+1, 1, 4.755, -0.78206, 0.00226882
+ITEM: TIME
+1711
+ITEM: POSITIONS
+1, 1, 4.91127, -0.859534, -1.54293
+ITEM: TIME
+1712
+ITEM: POSITIONS
+1, 1, 4.99008, -0.936795, -2.93709
+ITEM: TIME
+1713
+ITEM: POSITIONS
+1, 1, 4.99019, -1.01383, -4.04375
+ITEM: TIME
+1714
+ITEM: POSITIONS
+1, 1, 4.91161, -1.09061, -4.75458
+ITEM: TIME
+1715
+ITEM: POSITIONS
+1, 1, 4.75556, -1.16712, -5
+ITEM: TIME
+1716
+ITEM: POSITIONS
+1, 1, 4.52452, -1.24334, -4.75599
+ITEM: TIME
+1717
+ITEM: POSITIONS
+1, 1, 4.22213, -1.31926, -4.04642
+ITEM: TIME
+1718
+ITEM: POSITIONS
+1, 1, 3.85315, -1.39485, -2.94077
+ITEM: TIME
+1719
+ITEM: POSITIONS
+1, 1, 3.4234, -1.47009, -1.54725
+ITEM: TIME
+1720
+ITEM: POSITIONS
+1, 1, 2.93966, -1.54498, -0.00228209
+ITEM: TIME
+1721
+ITEM: POSITIONS
+1, 1, 2.40957, -1.61948, 1.54291
+ITEM: TIME
+1722
+ITEM: POSITIONS
+1, 1, 1.84147, -1.69358, 2.93708
+ITEM: TIME
+1723
+ITEM: POSITIONS
+1, 1, 1.24434, -1.76727, 4.04374
+ITEM: TIME
+1724
+ITEM: POSITIONS
+1, 1, 0.627574, -1.84052, 4.75458
+ITEM: TIME
+1725
+ITEM: POSITIONS
+1, 1, 0.000915488, -1.91331, 5
+ITEM: TIME
+1726
+ITEM: POSITIONS
+1, 1, -0.625757, -1.98563, 4.75599
+ITEM: TIME
+1727
+ITEM: POSITIONS
+1, 1, -1.24256, -2.05747, 4.04643
+ITEM: TIME
+1728
+ITEM: POSITIONS
+1, 1, -1.83977, -2.12879, 2.94078
+ITEM: TIME
+1729
+ITEM: POSITIONS
+1, 1, -2.40796, -2.19959, 1.54727
+ITEM: TIME
+1730
+ITEM: POSITIONS
+1, 1, -2.93818, -2.26985, 0.00229536
+ITEM: TIME
+1731
+ITEM: POSITIONS
+1, 1, -3.42207, -2.33955, -1.5429
+ITEM: TIME
+1732
+ITEM: POSITIONS
+1, 1, -3.85198, -2.40867, -2.93707
+ITEM: TIME
+1733
+ITEM: POSITIONS
+1, 1, -4.22115, -2.47719, -4.04373
+ITEM: TIME
+1734
+ITEM: POSITIONS
+1, 1, -4.52374, -2.54511, -4.75457
+ITEM: TIME
+1735
+ITEM: POSITIONS
+1, 1, -4.755, -2.61239, -5
+ITEM: TIME
+1736
+ITEM: POSITIONS
+1, 1, -4.91126, -2.67904, -4.75599
+ITEM: TIME
+1737
+ITEM: POSITIONS
+1, 1, -4.99008, -2.74502, -4.04644
+ITEM: TIME
+1738
+ITEM: POSITIONS
+1, 1, -4.99019, -2.81032, -2.94079
+ITEM: TIME
+1739
+ITEM: POSITIONS
+1, 1, -4.91161, -2.87493, -1.54728
+ITEM: TIME
+1740
+ITEM: POSITIONS
+1, 1, -4.75557, -2.93883, -0.00230862
+ITEM: TIME
+1741
+ITEM: POSITIONS
+1, 1, -4.52453, -3.00201, 1.54289
+ITEM: TIME
+1742
+ITEM: POSITIONS
+1, 1, -4.22213, -3.06444, 2.93706
+ITEM: TIME
+1743
+ITEM: POSITIONS
+1, 1, -3.85316, -3.12612, 4.04373
+ITEM: TIME
+1744
+ITEM: POSITIONS
+1, 1, -3.42341, -3.18703, 4.75457
+ITEM: TIME
+1745
+ITEM: POSITIONS
+1, 1, -2.93968, -3.24715, 5
+ITEM: TIME
+1746
+ITEM: POSITIONS
+1, 1, -2.40958, -3.30647, 4.756
+ITEM: TIME
+1747
+ITEM: POSITIONS
+1, 1, -1.84148, -3.36498, 4.04645
+ITEM: TIME
+1748
+ITEM: POSITIONS
+1, 1, -1.24435, -3.42265, 2.9408
+ITEM: TIME
+1749
+ITEM: POSITIONS
+1, 1, -0.627587, -3.47948, 1.54729
+ITEM: TIME
+1750
+ITEM: POSITIONS
+1, 1, -0.000928756, -3.53545, 0.00232189
+ITEM: TIME
+1751
+ITEM: POSITIONS
+1, 1, 0.625744, -3.59055, -1.54288
+ITEM: TIME
+1752
+ITEM: POSITIONS
+1, 1, 1.24255, -3.64476, -2.93705
+ITEM: TIME
+1753
+ITEM: POSITIONS
+1, 1, 1.83976, -3.69808, -4.04372
+ITEM: TIME
+1754
+ITEM: POSITIONS
+1, 1, 2.40795, -3.75048, -4.75456
+ITEM: TIME
+1755
+ITEM: POSITIONS
+1, 1, 2.93817, -3.80195, -5
+ITEM: TIME
+1756
+ITEM: POSITIONS
+1, 1, 3.42206, -3.85249, -4.756
+ITEM: TIME
+1757
+ITEM: POSITIONS
+1, 1, 3.85197, -3.90208, -4.04645
+ITEM: TIME
+1758
+ITEM: POSITIONS
+1, 1, 4.22114, -3.9507, -2.94081
+ITEM: TIME
+1759
+ITEM: POSITIONS
+1, 1, 4.52374, -3.99835, -1.5473
+ITEM: TIME
+1760
+ITEM: POSITIONS
+1, 1, 4.75499, -4.04502, -0.00233516
+ITEM: TIME
+1761
+ITEM: POSITIONS
+1, 1, 4.91126, -4.09068, 1.54286
+ITEM: TIME
+1762
+ITEM: POSITIONS
+1, 1, 4.99007, -4.13534, 2.93703
+ITEM: TIME
+1763
+ITEM: POSITIONS
+1, 1, 4.99019, -4.17897, 4.04371
+ITEM: TIME
+1764
+ITEM: POSITIONS
+1, 1, 4.91161, -4.22158, 4.75456
+ITEM: TIME
+1765
+ITEM: POSITIONS
+1, 1, 4.75557, -4.26314, 5
+ITEM: TIME
+1766
+ITEM: POSITIONS
+1, 1, 4.52453, -4.30365, 4.75601
+ITEM: TIME
+1767
+ITEM: POSITIONS
+1, 1, 4.22214, -4.3431, 4.04646
+ITEM: TIME
+1768
+ITEM: POSITIONS
+1, 1, 3.85316, -4.38148, 2.94082
+ITEM: TIME
+1769
+ITEM: POSITIONS
+1, 1, 3.42342, -4.41877, 1.54732
+ITEM: TIME
+1770
+ITEM: POSITIONS
+1, 1, 2.93969, -4.45498, 0.00234843
+ITEM: TIME
+1771
+ITEM: POSITIONS
+1, 1, 2.40959, -4.49009, -1.54285
+ITEM: TIME
+1772
+ITEM: POSITIONS
+1, 1, 1.8415, -4.52409, -2.93702
+ITEM: TIME
+1773
+ITEM: POSITIONS
+1, 1, 1.24436, -4.55697, -4.0437
+ITEM: TIME
+1774
+ITEM: POSITIONS
+1, 1, 0.6276, -4.58873, -4.75455
+ITEM: TIME
+1775
+ITEM: POSITIONS
+1, 1, 0.000942024, -4.61935, -5
+ITEM: TIME
+1776
+ITEM: POSITIONS
+1, 1, -0.625731, -4.64884, -4.75601
+ITEM: TIME
+1777
+ITEM: POSITIONS
+1, 1, -1.24254, -4.67718, -4.04647
+ITEM: TIME
+1778
+ITEM: POSITIONS
+1, 1, -1.83975, -4.70436, -2.94083
+ITEM: TIME
+1779
+ITEM: POSITIONS
+1, 1, -2.40794, -4.73039, -1.54733
+ITEM: TIME
+1780
+ITEM: POSITIONS
+1, 1, -2.93816, -4.75525, -0.00236169
+ITEM: TIME
+1781
+ITEM: POSITIONS
+1, 1, -3.42205, -4.77893, 1.54284
+ITEM: TIME
+1782
+ITEM: POSITIONS
+1, 1, -3.85196, -4.80144, 2.93701
+ITEM: TIME
+1783
+ITEM: POSITIONS
+1, 1, -4.22113, -4.82276, 4.04369
+ITEM: TIME
+1784
+ITEM: POSITIONS
+1, 1, -4.52373, -4.84289, 4.75455
+ITEM: TIME
+1785
+ITEM: POSITIONS
+1, 1, -4.75499, -4.86182, 5
+ITEM: TIME
+1786
+ITEM: POSITIONS
+1, 1, -4.91126, -4.87956, 4.75601
+ITEM: TIME
+1787
+ITEM: POSITIONS
+1, 1, -4.99007, -4.89609, 4.04648
+ITEM: TIME
+1788
+ITEM: POSITIONS
+1, 1, -4.99019, -4.91141, 2.94085
+ITEM: TIME
+1789
+ITEM: POSITIONS
+1, 1, -4.91161, -4.92553, 1.54734
+ITEM: TIME
+1790
+ITEM: POSITIONS
+1, 1, -4.75558, -4.93842, 0.00237496
+ITEM: TIME
+1791
+ITEM: POSITIONS
+1, 1, -4.52454, -4.9501, -1.54282
+ITEM: TIME
+1792
+ITEM: POSITIONS
+1, 1, -4.22215, -4.96056, -2.937
+ITEM: TIME
+1793
+ITEM: POSITIONS
+1, 1, -3.85317, -4.96979, -4.04369
+ITEM: TIME
+1794
+ITEM: POSITIONS
+1, 1, -3.42343, -4.9778, -4.75455
+ITEM: TIME
+1795
+ITEM: POSITIONS
+1, 1, -2.9397, -4.98458, -5
+ITEM: TIME
+1796
+ITEM: POSITIONS
+1, 1, -2.4096, -4.99013, -4.75602
+ITEM: TIME
+1797
+ITEM: POSITIONS
+1, 1, -1.84151, -4.99444, -4.04649
+ITEM: TIME
+1798
+ITEM: POSITIONS
+1, 1, -1.24437, -4.99753, -2.94086
+ITEM: TIME
+1799
+ITEM: POSITIONS
+1, 1, -0.627613, -4.99938, -1.54735
+ITEM: TIME
+1800
+ITEM: POSITIONS
+1, 1, -0.000955292, -5, -0.00238823
+ITEM: TIME
+1801
+ITEM: POSITIONS
+1, 1, 0.625718, -4.99939, 1.54281
+ITEM: TIME
+1802
+ITEM: POSITIONS
+1, 1, 1.24252, -4.99754, 2.93699
+ITEM: TIME
+1803
+ITEM: POSITIONS
+1, 1, 1.83973, -4.99446, 4.04368
+ITEM: TIME
+1804
+ITEM: POSITIONS
+1, 1, 2.40793, -4.99014, 4.75454
+ITEM: TIME
+1805
+ITEM: POSITIONS
+1, 1, 2.93815, -4.9846, 5
+ITEM: TIME
+1806
+ITEM: POSITIONS
+1, 1, 3.42204, -4.97782, 4.75602
+ITEM: TIME
+1807
+ITEM: POSITIONS
+1, 1, 3.85195, -4.96982, 4.04649
+ITEM: TIME
+1808
+ITEM: POSITIONS
+1, 1, 4.22113, -4.96059, 2.94087
+ITEM: TIME
+1809
+ITEM: POSITIONS
+1, 1, 4.52373, -4.95014, 1.54737
+ITEM: TIME
+1810
+ITEM: POSITIONS
+1, 1, 4.75499, -4.93846, 0.0024015
+ITEM: TIME
+1811
+ITEM: POSITIONS
+1, 1, 4.91126, -4.92557, -1.5428
+ITEM: TIME
+1812
+ITEM: POSITIONS
+1, 1, 4.99007, -4.91146, -2.93698
+ITEM: TIME
+1813
+ITEM: POSITIONS
+1, 1, 4.99019, -4.89614, -4.04367
+ITEM: TIME
+1814
+ITEM: POSITIONS
+1, 1, 4.91162, -4.87961, -4.75454
+ITEM: TIME
+1815
+ITEM: POSITIONS
+1, 1, 4.75558, -4.86188, -5
+ITEM: TIME
+1816
+ITEM: POSITIONS
+1, 1, 4.52455, -4.84295, -4.75603
+ITEM: TIME
+1817
+ITEM: POSITIONS
+1, 1, 4.22216, -4.82282, -4.0465
+ITEM: TIME
+1818
+ITEM: POSITIONS
+1, 1, 3.85318, -4.8015, -2.94088
+ITEM: TIME
+1819
+ITEM: POSITIONS
+1, 1, 3.42344, -4.779, -1.54738
+ITEM: TIME
+1820
+ITEM: POSITIONS
+1, 1, 2.93971, -4.75532, -0.00241477
+ITEM: TIME
+1821
+ITEM: POSITIONS
+1, 1, 2.40962, -4.73047, 1.54279
+ITEM: TIME
+1822
+ITEM: POSITIONS
+1, 1, 1.84152, -4.70444, 2.93697
+ITEM: TIME
+1823
+ITEM: POSITIONS
+1, 1, 1.24439, -4.67726, 4.04366
+ITEM: TIME
+1824
+ITEM: POSITIONS
+1, 1, 0.627627, -4.64893, 4.75453
+ITEM: TIME
+1825
+ITEM: POSITIONS
+1, 1, 0.00096856, -4.61944, 5
+ITEM: TIME
+1826
+ITEM: POSITIONS
+1, 1, -0.625705, -4.58882, 4.75603
+ITEM: TIME
+1827
+ITEM: POSITIONS
+1, 1, -1.24251, -4.55707, 4.04651
+ITEM: TIME
+1828
+ITEM: POSITIONS
+1, 1, -1.83972, -4.52419, 2.94089
+ITEM: TIME
+1829
+ITEM: POSITIONS
+1, 1, -2.40792, -4.49019, 1.54739
+ITEM: TIME
+1830
+ITEM: POSITIONS
+1, 1, -2.93814, -4.45509, 0.00242803
+ITEM: TIME
+1831
+ITEM: POSITIONS
+1, 1, -3.42203, -4.41888, -1.54277
+ITEM: TIME
+1832
+ITEM: POSITIONS
+1, 1, -3.85195, -4.38159, -2.93696
+ITEM: TIME
+1833
+ITEM: POSITIONS
+1, 1, -4.22112, -4.34322, -4.04365
+ITEM: TIME
+1834
+ITEM: POSITIONS
+1, 1, -4.52372, -4.30377, -4.75453
+ITEM: TIME
+1835
+ITEM: POSITIONS
+1, 1, -4.75498, -4.26326, -5
+ITEM: TIME
+1836
+ITEM: POSITIONS
+1, 1, -4.91125, -4.2217, -4.75603
+ITEM: TIME
+1837
+ITEM: POSITIONS
+1, 1, -4.99007, -4.1791, -4.04652
+ITEM: TIME
+1838
+ITEM: POSITIONS
+1, 1, -4.99019, -4.13547, -2.9409
+ITEM: TIME
+1839
+ITEM: POSITIONS
+1, 1, -4.91162, -4.09082, -1.54741
+ITEM: TIME
+1840
+ITEM: POSITIONS
+1, 1, -4.75558, -4.04516, -0.0024413
+ITEM: TIME
+1841
+ITEM: POSITIONS
+1, 1, -4.52455, -3.9985, 1.54276
+ITEM: TIME
+1842
+ITEM: POSITIONS
+1, 1, -4.22216, -3.95085, 2.93695
+ITEM: TIME
+1843
+ITEM: POSITIONS
+1, 1, -3.85319, -3.90223, 4.04365
+ITEM: TIME
+1844
+ITEM: POSITIONS
+1, 1, -3.42345, -3.85264, 4.75453
+ITEM: TIME
+1845
+ITEM: POSITIONS
+1, 1, -2.93972, -3.80211, 5
+ITEM: TIME
+1846
+ITEM: POSITIONS
+1, 1, -2.40963, -3.75064, 4.75604
+ITEM: TIME
+1847
+ITEM: POSITIONS
+1, 1, -1.84153, -3.69824, 4.04652
+ITEM: TIME
+1848
+ITEM: POSITIONS
+1, 1, -1.2444, -3.64493, 2.94091
+ITEM: TIME
+1849
+ITEM: POSITIONS
+1, 1, -0.62764, -3.59072, 1.54742
+ITEM: TIME
+1850
+ITEM: POSITIONS
+1, 1, -0.000981828, -3.53562, 0.00245457
+ITEM: TIME
+1851
+ITEM: POSITIONS
+1, 1, 0.625692, -3.47965, -1.54275
+ITEM: TIME
+1852
+ITEM: POSITIONS
+1, 1, 1.2425, -3.42283, -2.93694
+ITEM: TIME
+1853
+ITEM: POSITIONS
+1, 1, 1.83971, -3.36515, -4.04364
+ITEM: TIME
+1854
+ITEM: POSITIONS
+1, 1, 2.40791, -3.30665, -4.75452
+ITEM: TIME
+1855
+ITEM: POSITIONS
+1, 1, 2.93813, -3.24733, -5
+ITEM: TIME
+1856
+ITEM: POSITIONS
+1, 1, 3.42202, -3.18721, -4.75604
+ITEM: TIME
+1857
+ITEM: POSITIONS
+1, 1, 3.85194, -3.12631, -4.04653
+ITEM: TIME
+1858
+ITEM: POSITIONS
+1, 1, 4.22111, -3.06463, -2.94092
+ITEM: TIME
+1859
+ITEM: POSITIONS
+1, 1, 4.52372, -3.0022, -1.54743
+ITEM: TIME
+1860
+ITEM: POSITIONS
+1, 1, 4.75498, -2.93903, -0.00246784
+ITEM: TIME
+1861
+ITEM: POSITIONS
+1, 1, 4.91125, -2.87513, 1.54274
+ITEM: TIME
+1862
+ITEM: POSITIONS
+1, 1, 4.99007, -2.81052, 2.93693
+ITEM: TIME
+1863
+ITEM: POSITIONS
+1, 1, 4.9902, -2.74522, 4.04363
+ITEM: TIME
+1864
+ITEM: POSITIONS
+1, 1, 4.91162, -2.67924, 4.75452
+ITEM: TIME
+1865
+ITEM: POSITIONS
+1, 1, 4.75559, -2.6126, 5
+ITEM: TIME
+1866
+ITEM: POSITIONS
+1, 1, 4.52456, -2.54531, 4.75605
+ITEM: TIME
+1867
+ITEM: POSITIONS
+1, 1, 4.22217, -2.4774, 4.04654
+ITEM: TIME
+1868
+ITEM: POSITIONS
+1, 1, 3.8532, -2.40888, 2.94093
+ITEM: TIME
+1869
+ITEM: POSITIONS
+1, 1, 3.42346, -2.33976, 1.54744
+ITEM: TIME
+1870
+ITEM: POSITIONS
+1, 1, 2.93973, -2.27006, 0.00248111
+ITEM: TIME
+1871
+ITEM: POSITIONS
+1, 1, 2.40964, -2.19981, -1.54272
+ITEM: TIME
+1872
+ITEM: POSITIONS
+1, 1, 1.84155, -2.12901, -2.93692
+ITEM: TIME
+1873
+ITEM: POSITIONS
+1, 1, 1.24441, -2.05769, -4.04362
+ITEM: TIME
+1874
+ITEM: POSITIONS
+1, 1, 0.627653, -1.98585, -4.75451
+ITEM: TIME
+1875
+ITEM: POSITIONS
+1, 1, 0.000995096, -1.91353, -5
+ITEM: TIME
+1876
+ITEM: POSITIONS
+1, 1, -0.625678, -1.84074, -4.75605
+ITEM: TIME
+1877
+ITEM: POSITIONS
+1, 1, -1.24248, -1.76749, -4.04655
+ITEM: TIME
+1878
+ITEM: POSITIONS
+1, 1, -1.8397, -1.69381, -2.94094
+ITEM: TIME
+1879
+ITEM: POSITIONS
+1, 1, -2.40789, -1.61971, -1.54746
+ITEM: TIME
+1880
+ITEM: POSITIONS
+1, 1, -2.93812, -1.5452, -0.00249437
+ITEM: TIME
+1881
+ITEM: POSITIONS
+1, 1, -3.42201, -1.47032, 1.54271
+ITEM: TIME
+1882
+ITEM: POSITIONS
+1, 1, -3.85193, -1.39508, 2.93691
+ITEM: TIME
+1883
+ITEM: POSITIONS
+1, 1, -4.2211, -1.31949, 4.04362
+ITEM: TIME
+1884
+ITEM: POSITIONS
+1, 1, -4.52371, -1.24357, 4.75451
+ITEM: TIME
+1885
+ITEM: POSITIONS
+1, 1, -4.75497, -1.16735, 5
+ITEM: TIME
+1886
+ITEM: POSITIONS
+1, 1, -4.91125, -1.09084, 4.75606
+ITEM: TIME
+1887
+ITEM: POSITIONS
+1, 1, -4.99007, -1.01406, 4.04656
+ITEM: TIME
+1888
+ITEM: POSITIONS
+1, 1, -4.9902, -0.93703, 2.94095
+ITEM: TIME
+1889
+ITEM: POSITIONS
+1, 1, -4.91162, -0.859769, 1.54747
+ITEM: TIME
+1890
+ITEM: POSITIONS
+1, 1, -4.75559, -0.782296, 0.00250764
+ITEM: TIME
+1891
+ITEM: POSITIONS
+1, 1, -4.52456, -0.70463, -1.5427
+ITEM: TIME
+1892
+ITEM: POSITIONS
+1, 1, -4.22218, -0.626791, -2.9369
+ITEM: TIME
+1893
+ITEM: POSITIONS
+1, 1, -3.85321, -0.548796, -4.04361
+ITEM: TIME
+1894
+ITEM: POSITIONS
+1, 1, -3.42347, -0.470667, -4.75451
+ITEM: TIME
+1895
+ITEM: POSITIONS
+1, 1, -2.93974, -0.392421, -5
+ITEM: TIME
+1896
+ITEM: POSITIONS
+1, 1, -2.40965, -0.314078, -4.75606
+ITEM: TIME
+1897
+ITEM: POSITIONS
+1, 1, -1.84156, -0.235658, -4.04656
+ITEM: TIME
+1898
+ITEM: POSITIONS
+1, 1, -1.24443, -0.15718, -2.94096
+ITEM: TIME
+1899
+ITEM: POSITIONS
+1, 1, -0.627666, -0.0786626, -1.54748
+ITEM: TIME
+1900
+ITEM: POSITIONS
+1, 1, -0.00100836, -0.000126046, -0.00252091
+ITEM: TIME
+1901
+ITEM: POSITIONS
+1, 1, 0.625665, 0.0784105, 1.54269
+ITEM: TIME
+1902
+ITEM: POSITIONS
+1, 1, 1.24247, 0.156928, 2.93688
+ITEM: TIME
+1903
+ITEM: POSITIONS
+1, 1, 1.83968, 0.235406, 4.0436
+ITEM: TIME
+1904
+ITEM: POSITIONS
+1, 1, 2.40788, 0.313827, 4.7545
+ITEM: TIME
+1905
+ITEM: POSITIONS
+1, 1, 2.93811, 0.392169, 5
+ITEM: TIME
+1906
+ITEM: POSITIONS
+1, 1, 3.422, 0.470416, 4.75606
+ITEM: TIME
+1907
+ITEM: POSITIONS
+1, 1, 3.85192, 0.548546, 4.04657
+ITEM: TIME
+1908
+ITEM: POSITIONS
+1, 1, 4.2211, 0.626541, 2.94097
+ITEM: TIME
+1909
+ITEM: POSITIONS
+1, 1, 4.5237, 0.704381, 1.54749
+ITEM: TIME
+1910
+ITEM: POSITIONS
+1, 1, 4.75497, 0.782047, 0.00253418
+ITEM: TIME
+1911
+ITEM: POSITIONS
+1, 1, 4.91125, 0.859521, -1.54267
+ITEM: TIME
+1912
+ITEM: POSITIONS
+1, 1, 4.99007, 0.936782, -2.93687
+ITEM: TIME
+1913
+ITEM: POSITIONS
+1, 1, 4.9902, 1.01381, -4.04359
+ITEM: TIME
+1914
+ITEM: POSITIONS
+1, 1, 4.91163, 1.09059, -4.7545
+ITEM: TIME
+1915
+ITEM: POSITIONS
+1, 1, 4.7556, 1.1671, -5
+ITEM: TIME
+1916
+ITEM: POSITIONS
+1, 1, 4.52457, 1.24333, -4.75607
+ITEM: TIME
+1917
+ITEM: POSITIONS
+1, 1, 4.22218, 1.31924, -4.04658
+ITEM: TIME
+1918
+ITEM: POSITIONS
+1, 1, 3.85321, 1.39483, -2.94098
+ITEM: TIME
+1919
+ITEM: POSITIONS
+1, 1, 3.42348, 1.47008, -1.54751
+ITEM: TIME
+1920
+ITEM: POSITIONS
+1, 1, 2.93975, 1.54496, -0.00254745
+ITEM: TIME
+1921
+ITEM: POSITIONS
+1, 1, 2.40966, 1.61947, 1.54266
+ITEM: TIME
+1922
+ITEM: POSITIONS
+1, 1, 1.84157, 1.69357, 2.93686
+ITEM: TIME
+1923
+ITEM: POSITIONS
+1, 1, 1.24444, 1.76725, 4.04358
+ITEM: TIME
+1924
+ITEM: POSITIONS
+1, 1, 0.627679, 1.8405, 4.75449
+ITEM: TIME
+1925
+ITEM: POSITIONS
+1, 1, 0.00102163, 1.9133, 5
+ITEM: TIME
+1926
+ITEM: POSITIONS
+1, 1, -0.625652, 1.98562, 4.75607
+ITEM: TIME
+1927
+ITEM: POSITIONS
+1, 1, -1.24246, 2.05746, 4.04659
+ITEM: TIME
+1928
+ITEM: POSITIONS
+1, 1, -1.83967, 2.12878, 2.941
+ITEM: TIME
+1929
+ITEM: POSITIONS
+1, 1, -2.40787, 2.19958, 1.54752
+ITEM: TIME
+1930
+ITEM: POSITIONS
+1, 1, -2.9381, 2.26984, 0.00256071
+ITEM: TIME
+1931
+ITEM: POSITIONS
+1, 1, -3.42199, 2.33954, -1.54265
+ITEM: TIME
+1932
+ITEM: POSITIONS
+1, 1, -3.85191, 2.40866, -2.93685
+ITEM: TIME
+1933
+ITEM: POSITIONS
+1, 1, -4.22109, 2.47718, -4.04358
+ITEM: TIME
+1934
+ITEM: POSITIONS
+1, 1, -4.5237, 2.5451, -4.75449
+ITEM: TIME
+1935
+ITEM: POSITIONS
+1, 1, -4.75497, 2.61238, -5
+ITEM: TIME
+1936
+ITEM: POSITIONS
+1, 1, -4.91124, 2.67903, -4.75608
+ITEM: TIME
+1937
+ITEM: POSITIONS
+1, 1, -4.99007, 2.74501, -4.0466
+ITEM: TIME
+1938
+ITEM: POSITIONS
+1, 1, -4.9902, 2.81031, -2.94101
+ITEM: TIME
+1939
+ITEM: POSITIONS
+1, 1, -4.91163, 2.87492, -1.54753
+ITEM: TIME
+1940
+ITEM: POSITIONS
+1, 1, -4.7556, 2.93882, -0.00257398
+ITEM: TIME
+1941
+ITEM: POSITIONS
+1, 1, -4.52457, 3.002, 1.54264
+ITEM: TIME
+1942
+ITEM: POSITIONS
+1, 1, -4.22219, 3.06443, 2.93684
+ITEM: TIME
+1943
+ITEM: POSITIONS
+1, 1, -3.85322, 3.12611, 4.04357
+ITEM: TIME
+1944
+ITEM: POSITIONS
+1, 1, -3.42349, 3.18702, 4.75448
+ITEM: TIME
+1945
+ITEM: POSITIONS
+1, 1, -2.93976, 3.24714, 5
+ITEM: TIME
+1946
+ITEM: POSITIONS
+1, 1, -2.40967, 3.30646, 4.75608
+ITEM: TIME
+1947
+ITEM: POSITIONS
+1, 1, -1.84158, 3.36497, 4.0466
+ITEM: TIME
+1948
+ITEM: POSITIONS
+1, 1, -1.24445, 3.42264, 2.94102
+ITEM: TIME
+1949
+ITEM: POSITIONS
+1, 1, -0.627692, 3.47947, 1.54754
+ITEM: TIME
+1950
+ITEM: POSITIONS
+1, 1, -0.0010349, 3.53544, 0.00258725
+ITEM: TIME
+1951
+ITEM: POSITIONS
+1, 1, 0.625639, 3.59054, -1.54262
+ITEM: TIME
+1952
+ITEM: POSITIONS
+1, 1, 1.24245, 3.64475, -2.93683
+ITEM: TIME
+1953
+ITEM: POSITIONS
+1, 1, 1.83966, 3.69807, -4.04356
+ITEM: TIME
+1954
+ITEM: POSITIONS
+1, 1, 2.40786, 3.75047, -4.75448
+ITEM: TIME
+1955
+ITEM: POSITIONS
+1, 1, 2.93809, 3.80195, -5
+ITEM: TIME
+1956
+ITEM: POSITIONS
+1, 1, 3.42198, 3.85248, -4.75608
+ITEM: TIME
+1957
+ITEM: POSITIONS
+1, 1, 3.8519, 3.90207, -4.04661
+ITEM: TIME
+1958
+ITEM: POSITIONS
+1, 1, 4.22108, 3.9507, -2.94103
+ITEM: TIME
+1959
+ITEM: POSITIONS
+1, 1, 4.52369, 3.99835, -1.54756
+ITEM: TIME
+1960
+ITEM: POSITIONS
+1, 1, 4.75496, 4.04501, -0.00260052
+ITEM: TIME
+1961
+ITEM: POSITIONS
+1, 1, 4.91124, 4.09067, 1.54261
+ITEM: TIME
+1962
+ITEM: POSITIONS
+1, 1, 4.99007, 4.13533, 2.93682
+ITEM: TIME
+1963
+ITEM: POSITIONS
+1, 1, 4.9902, 4.17897, 4.04355
+ITEM: TIME
+1964
+ITEM: POSITIONS
+1, 1, 4.91163, 4.22157, 4.75448
+ITEM: TIME
+1965
+ITEM: POSITIONS
+1, 1, 4.7556, 4.26313, 5
+ITEM: TIME
+1966
+ITEM: POSITIONS
+1, 1, 4.52458, 4.30364, 4.75609
+ITEM: TIME
+1967
+ITEM: POSITIONS
+1, 1, 4.2222, 4.34309, 4.04662
+ITEM: TIME
+1968
+ITEM: POSITIONS
+1, 1, 3.85323, 4.38147, 2.94104
+ITEM: TIME
+1969
+ITEM: POSITIONS
+1, 1, 3.4235, 4.41877, 1.54757
+ITEM: TIME
+1970
+ITEM: POSITIONS
+1, 1, 2.93977, 4.45497, 0.00261379
+ITEM: TIME
+1971
+ITEM: POSITIONS
+1, 1, 2.40968, 4.49008, -1.5426
+ITEM: TIME
+1972
+ITEM: POSITIONS
+1, 1, 1.8416, 4.52408, -2.93681
+ITEM: TIME
+1973
+ITEM: POSITIONS
+1, 1, 1.24446, 4.55696, -4.04355
+ITEM: TIME
+1974
+ITEM: POSITIONS
+1, 1, 0.627706, 4.58872, -4.75447
+ITEM: TIME
+1975
+ITEM: POSITIONS
+1, 1, 0.00104817, 4.61935, -5
+ITEM: TIME
+1976
+ITEM: POSITIONS
+1, 1, -0.625626, 4.64883, -4.75609
+ITEM: TIME
+1977
+ITEM: POSITIONS
+1, 1, -1.24243, 4.67717, -4.04663
+ITEM: TIME
+1978
+ITEM: POSITIONS
+1, 1, -1.83965, 4.70436, -2.94105
+ITEM: TIME
+1979
+ITEM: POSITIONS
+1, 1, -2.40785, 4.73038, -1.54758
+ITEM: TIME
+1980
+ITEM: POSITIONS
+1, 1, -2.93808, 4.75524, -0.00262705
+ITEM: TIME
+1981
+ITEM: POSITIONS
+1, 1, -3.42197, 4.77893, 1.54259
+ITEM: TIME
+1982
+ITEM: POSITIONS
+1, 1, -3.8519, 4.80143, 2.9368
+ITEM: TIME
+1983
+ITEM: POSITIONS
+1, 1, -4.22108, 4.82275, 4.04354
+ITEM: TIME
+1984
+ITEM: POSITIONS
+1, 1, -4.52369, 4.84288, 4.75447
+ITEM: TIME
+1985
+ITEM: POSITIONS
+1, 1, -4.75496, 4.86182, 5
+ITEM: TIME
+1986
+ITEM: POSITIONS
+1, 1, -4.91124, 4.87956, 4.7561
+ITEM: TIME
+1987
+ITEM: POSITIONS
+1, 1, -4.99007, 4.89609, 4.04663
+ITEM: TIME
+1988
+ITEM: POSITIONS
+1, 1, -4.9902, 4.91141, 2.94106
+ITEM: TIME
+1989
+ITEM: POSITIONS
+1, 1, -4.91163, 4.92552, 1.54759
+ITEM: TIME
+1990
+ITEM: POSITIONS
+1, 1, -4.75561, 4.93842, 0.00264032
+ITEM: TIME
+1991
+ITEM: POSITIONS
+1, 1, -4.52459, 4.9501, -1.54257
+ITEM: TIME
+1992
+ITEM: POSITIONS
+1, 1, -4.22221, 4.96056, -2.93679
+ITEM: TIME
+1993
+ITEM: POSITIONS
+1, 1, -3.85324, 4.96979, -4.04353
+ITEM: TIME
+1994
+ITEM: POSITIONS
+1, 1, -3.42351, 4.9778, -4.75446
+ITEM: TIME
+1995
+ITEM: POSITIONS
+1, 1, -2.93978, 4.98458, -5
+ITEM: TIME
+1996
+ITEM: POSITIONS
+1, 1, -2.4097, 4.99013, -4.7561
+ITEM: TIME
+1997
+ITEM: POSITIONS
+1, 1, -1.84161, 4.99444, -4.04664
+ITEM: TIME
+1998
+ITEM: POSITIONS
+1, 1, -1.24448, 4.99753, -2.94107
+ITEM: TIME
+1999
+ITEM: POSITIONS
+1, 1, -0.627719, 4.99938, -1.54761
diff --git a/tools/xmovie/hpsort.c b/tools/xmovie/hpsort.c
new file mode 100755
index 0000000000..4b08c7384c
--- /dev/null
+++ b/tools/xmovie/hpsort.c
@@ -0,0 +1,43 @@
+/* Numerical Recipes heap sort, modified to be like C library qsort */
+
+/* accepts arbitrary objects to be sorted, user provides compare function
+ this routine sorts a F77-style array indexed from 1-n
+ thus you MUST call it from C with hpsort(ra-1, ) to offset C ptr by -1
+ also added multiply-array-index-by-size to enable arbitrary objects
+*/
+
+void hpsort(char *ra, int n, int size,
+ int (*cmp)(const void *, const void *))
+{
+ unsigned long i,ir,j,l;
+ char *rra;
+
+ if (n < 2) return;
+ l = (n >> 1)+1;
+ ir = n;
+ rra = (char *) malloc(size);
+ for (;;) {
+ if (l > 1) {
+ memcpy(rra,&ra[(--l)*size],size);
+ } else {
+ memcpy(rra,&ra[ir*size],size);
+ memcpy(&ra[ir*size],&ra[1*size],size);
+ if (--ir == 1) {
+ memcpy(&ra[1*size],rra,size);
+ break;
+ }
+ }
+ i = l;
+ j = l+l;
+ while (j <= ir) {
+ if (j < ir && (*cmp)(&ra[j*size],&ra[(j+1)*size]) < 0) j++;
+ if ((*cmp)(rra,&ra[j*size]) < 0) {
+ memcpy(&ra[i*size],&ra[j*size],size);
+ i = j;
+ j <<= 1;
+ } else j = ir+1;
+ }
+ memcpy(&ra[i*size],rra,size);
+ }
+ free(rra);
+}
diff --git a/tools/xmovie/read.c b/tools/xmovie/read.c
new file mode 100755
index 0000000000..2c8a35c498
--- /dev/null
+++ b/tools/xmovie/read.c
@@ -0,0 +1,1238 @@
+/* **************************************************************** */
+/* functions to read data from files */
+
+#include <stdlib.h>
+#include <stdio.h>
+#include <string.h>
+#include <unistd.h>
+#include <math.h>
+
+/* commented this out for SGI gcc compiler
+#ifdef INCL_FLOAT
+double strtod(char *s, char **t);
+long strtol(char *s, char **t, int base);
+#endif
+*/
+
+#include <X11/Intrinsic.h>
+
+extern FILE *popen(const char *, const char *);
+extern int pclose(FILE *);
+
+#include "xmovie.h"
+
+#define LINELEN 256
+#define WHITESPACE " \f\n\r\t\v"
+#define SEPARATORS ",;:" WHITESPACE
+#define NPRINT 500
+#define NREAD 50
+#define NBREAD 2000
+
+#define ERROR -1
+#define END_OF_FILE 1
+#define BEING_NICE 2
+#define READ_OK 3
+#define LOOK_FOR_ITEM 10
+#define LOOK_FOR_BOUNDS 11
+#define LOOK_FOR_POSITIONS 12
+#define LOOK_FOR_TIME 13
+#define LOOK_FOR_BONDS 14
+
+#define BAD_STATE -2
+
+#define ALL_DONE TRUE
+#define MORE_TO_READ FALSE
+
+/* **************************************************************** */
+/* local typedefs */
+
+typedef struct {
+ char *string;
+ int state;
+ } PARSETABLE;
+
+#define NPARSE(x) (sizeof(x)/sizeof(PARSETABLE))
+
+typedef struct {
+ int nfiles;
+ char **fnames;
+ FILE *file;
+ int in_read;
+ int is_compressed;
+ int is_binary;
+ } READDATA;
+
+typedef int (*PFI)();
+
+typedef struct {
+ RECORD record_id;
+ PFI reader;
+ } READER;
+
+/* **************************************************************** */
+/* local prototypes */
+
+PRIVATE int DoSomeReading(void);
+PRIVATE int ReadSomeBinary(void);
+PRIVATE int parser(char *token, PARSETABLE *table, int cnt);
+PRIVATE int get_bounds(FILE *file, char *line);
+PRIVATE int get_positions(FILE *file, char *line);
+PRIVATE int get_time(FILE *file, char *line);
+PRIVATE int get_bonds(FILE *file, char *line);
+PRIVATE int copy_bonds(void);
+PRIVATE void add_point(int index, int type, float x, float y, float z);
+PRIVATE void add_bond(int type, int index1, int index2);
+PRIVATE void NewData(void);
+PRIVATE void ShowStatus(void);
+PRIVATE char *RemoveNL(char *s);
+PRIVATE int getline(FILE *file, char *line);
+PRIVATE int get_float(char **s, float *f);
+PRIVATE int get_int(char **s, int *i);
+PRIVATE void ungetline(void);
+PRIVATE int LineIsBlank(char *s);
+PRIVATE void SortData(DATA *dptr);
+PRIVATE int compare_atypes(POSITION *a, POSITION *b);
+PRIVATE int compare_btypes(BOND *a, BOND *b);
+PRIVATE int IsCompressed(char *s);
+PRIVATE int IsBinary(char *s);
+PRIVATE int TestBinary(FILE *f, int rewind);
+PRIVATE FILE *GetCompressed(char *s);
+PRIVATE FILE *OpenFile(char *s, int compressed, int binary);
+PRIVATE READER *GetReader(RECORD record_id);
+PRIVATE int ReadTime(FILE *f, LENGTH length);
+PRIVATE int ReadBound(FILE *f, LENGTH length);
+PRIVATE int ReadPosition(FILE *f, LENGTH length);
+PRIVATE int ReadBond(FILE *f, LENGTH length);
+PRIVATE int CopyBond(FILE *f, LENGTH length);
+PRIVATE int ReadRecordHeader(FILE *f, RECORD *record, LENGTH *length);
+
+/* **************************************************************** */
+/* local data */
+
+/* include last 3 out-of-date item names in PARSETABLE for compatability */
+
+static PARSETABLE parse_table[] = {
+ { "TIMESTEP", LOOK_FOR_TIME },
+ { "BOX BOUNDS", LOOK_FOR_BOUNDS },
+ { "ATOMS", LOOK_FOR_POSITIONS },
+ { "BONDS", LOOK_FOR_BONDS },
+ { "TIME", LOOK_FOR_TIME },
+ { "BOUNDS", LOOK_FOR_BOUNDS },
+ { "POSITIONS", LOOK_FOR_POSITIONS },
+ };
+
+static DATA *current_data = (DATA *) NULL;
+static int seen_time = 0;
+static int npositions = 0;
+static int nlines = 0;
+static int nbonds = 0;
+static int read_this_time = 0;
+
+static READDATA ReadData = {
+ 0, /* nfiles */
+ NULL, /* filenames */
+ NULL, /* file pointer */
+ 0, /* not in read */
+ 0, /* not compressed */
+ 0, /* not binary */
+ };
+
+static READER read_table[] = {
+ { TimeID, ReadTime },
+ { BoundID, ReadBound },
+ { PositionID, ReadPosition },
+ { BondID, ReadBond },
+ { CopyBondID, CopyBond },
+ };
+
+/* **************************************************************** */
+
+void InitRead(int nfiles, char **fnames)
+{
+ static char *Stdin = "stdin";
+
+ if (nfiles > 0) {
+ ReadData.nfiles = nfiles;
+ ReadData.fnames = fnames;
+ return;
+ }
+
+ if (isatty(fileno(stdin))) {
+ Usage();
+ exit(0);
+ }
+
+ ReadData.nfiles = 1;
+ ReadData.fnames = &Stdin;
+ ReadData.file = stdin;
+ ReadData.in_read = 1;
+ ReadData.is_binary = TestBinary(stdin, TRUE);
+
+ if (ReadData.is_binary)
+ fseek(stdin, 2*sizeof(INT4), SEEK_CUR); /* skip header */
+}
+
+Boolean ReadProc(XtPointer client_data)
+{
+ char err_msg[512];
+ char *file_type;
+
+ if (ReadData.in_read) goto do_read;
+
+ next_file:
+
+ if (ReadData.nfiles <= 0) {
+ ShowStatus();
+ SortData(current_data);
+ return(ALL_DONE);
+ }
+
+ ReadData.is_compressed = FALSE;
+ ReadData.is_binary = FALSE;
+
+ ReadData.is_compressed = IsCompressed(*ReadData.fnames);
+
+ if (ReadData.is_compressed) {
+ file_type = "compressed";
+ goto open_file;
+ }
+
+ ReadData.is_binary = IsBinary(*ReadData.fnames);
+ if (ReadData.is_binary) {
+ file_type = "binary";
+ goto open_file;
+ }
+
+
+ file_type = "ascii";
+ goto open_file;
+
+ open_file:
+
+ ReadData.file = OpenFile(*ReadData.fnames,
+ ReadData.is_compressed, ReadData.is_binary);
+ if (ReadData.file == (FILE *) NULL) {
+ sprintf(err_msg,
+ "Frames: %i Positions: %i Bonds: %i\n"
+ "Error: unable to open %s file \"%s\".\n"
+ "Read aborted.",
+ Common.ndata, npositions, nbonds,
+ file_type, *ReadData.fnames);
+ SetReadString(err_msg);
+ SortData(current_data);
+ return(ALL_DONE);
+ }
+
+ ReadData.in_read = 1;
+ nlines = 0;
+ ShowStatus();
+
+ do_read:
+
+ switch(DoSomeReading()) {
+ case END_OF_FILE:
+ if (ReadData.is_compressed)
+ pclose(ReadData.file);
+ else
+ if (strcmp("stdin",*ReadData.fnames))
+ fclose(ReadData.file);
+ ReadData.in_read = 0;
+ ReadData.nfiles--;
+ ReadData.fnames++;
+ goto next_file;
+ case ERROR:
+ SortData(current_data);
+ return(ALL_DONE);
+ case BEING_NICE:
+ break;
+ default:
+ fprintf(stderr,"Don't know how I got here: ReadProc.\n");
+ exit(0);
+ }
+
+ return(MORE_TO_READ);
+}
+
+PRIVATE int IsCompressed(char *s)
+{
+ register char *t;
+
+ t = s + strlen(s) - 3;
+ if (t < s) return(FALSE);
+ return(!strcmp(t,".gz"));
+}
+
+PRIVATE int IsBinary(char *s)
+{
+ FILE *f;
+ int ok;
+
+ if ((FILE *) NULL == (f = fopen(s, "r"))) return(FALSE);
+
+ ok = TestBinary(f, FALSE);
+ fclose(f);
+
+ return(ok);
+}
+
+PRIVATE int TestBinary(FILE *f, int rewind)
+{
+ union {
+ INT4 magic;
+ char c[sizeof(INT4)];
+ } u;
+ int i;
+
+ if (1 != fread(&u.magic, sizeof(u.magic), 1, f)) return(FALSE);
+
+ if (rewind)
+ for(i = sizeof(u); i; i--)
+ ungetc(u.c[i-1], f);
+
+ return(u.magic == MagicNumber);
+}
+
+PRIVATE FILE *GetCompressed(char *name)
+{
+ char cmd[256];
+
+ sprintf(cmd, "gunzip -c %s", name);
+ return(popen(cmd,"r"));
+}
+
+PRIVATE FILE *OpenFile(char *name, int compressed, int binary)
+{
+ FILE *f;
+
+ if (compressed) return(GetCompressed(name));
+
+ f = fopen(name, "r");
+ if (f == (FILE *) NULL) return(f);
+
+ if (binary) fseek(f, 2*sizeof(INT4), SEEK_CUR);
+
+ return(f);
+}
+
+PRIVATE int DoSomeReading(void)
+{
+ static int state = LOOK_FOR_ITEM;
+ static char line[LINELEN];
+ static char token[LINELEN];
+ static char *t;
+ int ntries;
+ int newstate;
+ char err_msg[512];
+
+ if (ReadData.is_binary) return(ReadSomeBinary());
+
+ read_this_time = 0;
+
+ begin:
+
+ switch(state) {
+ case LOOK_FOR_ITEM:
+ ntries = 0;
+ while(1) {
+ ntries++;
+ if (ntries > 100) return(BEING_NICE);
+
+ if (!getline(ReadData.file, line))
+ return(END_OF_FILE);
+ t = strtok(line, WHITESPACE);
+ if (!t) continue;
+ if (strcmp(t, "ITEM:")) continue;
+
+ t = strtok(NULL, WHITESPACE);
+ if (!t) continue;
+ sprintf(token,"%s",t);
+
+ t = strtok(NULL, WHITESPACE);
+ while (t != NULL) {
+ sprintf(token,"%s %s",token,t);
+ t = strtok(NULL, WHITESPACE);
+ }
+
+ newstate = parser(token,
+ parse_table,NPARSE(parse_table));
+
+ if (newstate == BAD_STATE) continue;
+ state = newstate;
+ goto begin;
+ }
+ case LOOK_FOR_TIME:
+ if (!get_time(ReadData.file, line)) goto print_error;
+ state = LOOK_FOR_ITEM;
+ goto begin;
+ case LOOK_FOR_BOUNDS:
+ if (!get_bounds(ReadData.file, line)) goto print_error;
+ state = LOOK_FOR_ITEM;
+ goto begin;
+ case LOOK_FOR_POSITIONS:
+ case LOOK_FOR_BONDS:
+ switch((state == LOOK_FOR_POSITIONS) ?
+ get_positions(ReadData.file, line) :
+ get_bonds(ReadData.file, line)) {
+ case END_OF_FILE:
+ state = LOOK_FOR_ITEM;
+ return(END_OF_FILE);
+ case BEING_NICE:
+ return(BEING_NICE);
+ case LOOK_FOR_ITEM:
+ state = LOOK_FOR_ITEM;
+ return(BEING_NICE);
+ case ERROR:
+ default:
+ goto print_error;
+ }
+
+ case BAD_STATE:
+ default:
+ fprintf(stderr,"Error: read state corrupted: %i\n", state);
+ exit(0);
+ }
+
+ print_error:
+
+ sprintf(err_msg,"Frames: %i Positions: %i Bonds: %i\n"
+ "Error occurred at line %i\n"
+ "Processing ITEM: %s\n"
+ "Line = \"%s\"\n"
+ "Read aborted.",
+ Common.ndata, npositions, nbonds, nlines, token,
+ RemoveNL(line));
+
+ SetReadString(err_msg);
+
+ return(ERROR);
+
+ /* exit(0); */
+
+}
+
+/* **************************************************************** */
+
+PRIVATE int parser(char *token, PARSETABLE *table, int cnt)
+{
+ PARSETABLE *t;
+ int i;
+
+ for(i = cnt, t = table; i; i--, t++)
+ if (strcmp(t->string, token))
+ continue;
+ else
+ return(t->state);
+
+ return(BAD_STATE);
+}
+
+/* **************************************************************** */
+
+PRIVATE int get_bounds(FILE *file, char *line)
+{
+ int i, n, changed;
+ char *t;
+ BOUND *b, *cb;
+
+ if (!current_data) NewData();
+
+ n = (Common.two_d) ? 2 : 3;
+
+ for(i = 0; i < n; i++){
+ if (!getline(file, line)) return(0);
+
+ t = line;
+
+ if (!get_float(&t, &(current_data->bounds[i].low)))
+ return(0);
+
+ if (!get_float(&t, &(current_data->bounds[i].high)))
+ return(0);
+ }
+
+ if (Common.two_d) {
+ current_data->bounds[2].low = -0.01;
+ current_data->bounds[2].high = 0.01;
+ }
+
+ changed = 0;
+ for(b=current_data->bounds,cb=Common.bounds,i=3; i;i--,b++,cb++){
+ if (b->low < cb->low) {
+ cb->low = b->low;
+ changed = 1;
+ }
+ if (b->high > cb->high) {
+ cb->high = b->high;
+ changed = 1;
+ }
+ }
+
+ if (changed) NewDataSetup();
+
+ return(1);
+}
+
+PRIVATE int get_positions(FILE *file, char *line)
+{
+ char *t;
+ float x, y, z;
+ float xlow,xhigh,ylow,yhigh,zlow,zhigh,dx,dy,dz;
+ int index, type;
+
+ if (!current_data) NewData();
+
+ if (Common.copy_bond) copy_bonds();
+
+ if (Common.remap || Common.scaleflag) {
+ xlow = current_data->bounds[0].low;
+ xhigh = current_data->bounds[0].high;
+ dx = xhigh - xlow;
+ ylow = current_data->bounds[1].low;
+ yhigh = current_data->bounds[1].high;
+ dy = yhigh - ylow;
+ if (!Common.two_d) {
+ zlow = current_data->bounds[2].low;
+ zhigh = current_data->bounds[2].high;
+ dz = zhigh - zlow;
+ }
+ }
+
+ z = 0.0;
+
+ while(1) {
+
+ if (read_this_time++ > NREAD) return(BEING_NICE);
+
+ if (!getline(file, line)) return(END_OF_FILE);
+
+ t = line;
+
+ if (!get_int(&t, &index)){
+ ungetline();
+ return(LOOK_FOR_ITEM);
+ }
+
+ if (!get_int(&t, &type)) return(ERROR);
+
+ if (!get_float(&t, &x)) return(ERROR);
+ if (!get_float(&t, &y)) return(ERROR);
+
+ if (!Common.two_d)
+ if (!get_float(&t, &z)) return(ERROR);
+
+ if (type < 1 || type > Common.natomcolors) type = 1;
+
+ if (Common.remap) {
+ if (x-xlow >= 0.0)
+ x = fmod(x-xlow,dx) + xlow;
+ else
+ x = xhigh + fmod(x-xlow,dx);
+ if (y-ylow >= 0.0)
+ y = fmod(y-ylow,dy) + ylow;
+ else
+ y = yhigh + fmod(y-ylow,dy);
+ if (!Common.two_d) {
+ if (z-zlow >= 0.0)
+ z = fmod(z-zlow,dz) + zlow;
+ else
+ z = zhigh + fmod(z-zlow,dz);
+ }
+ }
+
+ if (Common.scaleflag) {
+ x = xlow + x*dx;
+ y = ylow + y*dy;
+ if (!Common.two_d) z = zlow + z*dz;
+ }
+
+ add_point(index, type, x, y, z);
+
+ npositions++;
+
+ if ((nbonds + npositions) % NPRINT == 0) ShowStatus();
+
+ }
+
+ return(1);
+}
+
+PRIVATE int get_bonds(FILE *file, char *line)
+{
+ char *t;
+ int type, index1, index2;
+
+ if (!current_data) NewData();
+
+ while(1) {
+
+ if (read_this_time++ > NREAD) return(BEING_NICE);
+
+ if (!getline(file, line)) return(END_OF_FILE);
+
+ t = line;
+
+ if (!get_int(&t, &type)){
+ ungetline();
+ return(LOOK_FOR_ITEM);
+ }
+
+ if (!get_int(&t, &index1)) return(ERROR);
+ if (!get_int(&t, &index2)) return(ERROR);
+
+ if (type < 1 || type > Common.nbondcolors) type = 1;
+
+ add_bond(type, index1, index2);
+
+ nbonds++;
+
+ if ((nbonds + npositions) % NPRINT == 0) ShowStatus();
+ }
+
+ return(1);
+}
+
+PRIVATE int get_time(FILE *file, char *line)
+{
+ char *t;
+
+ if (!current_data || seen_time) NewData();
+ seen_time = 1;
+
+ if (!getline(file, line)) return(0);
+
+ t = line;
+
+ if (!get_float(&t, &(current_data->time))) return(0);
+
+ return(1);
+}
+
+PRIVATE int copy_bonds()
+{
+ DATA *last_data;
+ int i;
+ BOND *b1, *b2;
+
+ if (Common.ndata < 2) return(0);
+
+ last_data = current_data-1;
+
+ current_data->nbonds = last_data->nbonds;
+ current_data->maxbonds = last_data->maxbonds;
+
+ current_data->bonds =
+ (BOND *) XtMalloc(current_data->maxbonds * sizeof(BOND));
+
+ b1 = current_data->bonds;
+ b2 = last_data->bonds;
+ for(i = current_data->nbonds; i ; i--, b1++, b2++)
+ *b1 = *b2;
+
+ return(1);
+}
+
+/* **************************************************************** */
+
+
+PRIVATE char *RemoveNL(char *s)
+{
+ register char *t;
+
+ if (!s) return(s);
+
+ if ((t = s + strlen(s) - 1) < s) return(s);
+ if (*t == '\n') *t = '\0';
+
+ return(s);
+}
+
+static int got_line = 0;
+
+PRIVATE int getline(FILE *file, char *line)
+{
+ int result;
+
+ if (got_line) {
+ got_line = 0;
+ return(1);
+ }
+
+ do {
+ nlines++;
+ result = (fgets(line, LINELEN, file) != NULL);
+ } while( result && LineIsBlank(line) );
+
+ return(result);
+}
+
+PRIVATE void ungetline(void)
+{
+ got_line = 1;
+}
+
+PRIVATE int LineIsBlank(char *s)
+{
+ register char *t;
+
+ t = s + strspn(s, WHITESPACE);
+ return( *t == '\0' );
+}
+
+PRIVATE int get_int(char **s, int *i)
+{
+ register char *t;
+
+ t = *s + strspn(*s, SEPARATORS);
+ *i = strtol(t, s, 10);
+
+ return(t != *s);
+}
+
+PRIVATE int get_float(char **s, float *f)
+{
+ register char *t;
+
+ t = *s + strspn(*s, SEPARATORS);
+ *f = strtod(t, s);
+
+ return(t != *s);
+}
+
+/* **************************************************************** */
+
+PRIVATE void NewData(void)
+{
+ int i;
+ DATA *last_data;
+
+ last_data = current_data;
+
+ if (Common.ndata >= Common.maxdata) { /* need to realloc */
+ Common.maxdata += 256;
+ Common.dataptr = (DATA *) XtRealloc((char *) Common.dataptr,
+ Common.maxdata * sizeof(DATA));
+ }
+
+ current_data = Common.dataptr + Common.ndata;
+ Common.ndata++;
+
+ current_data->natypes =
+ (INT4 *) XtMalloc(Common.natomcolors * sizeof(INT4));
+
+ for(i = 0; i < Common.natomcolors; i++)
+ current_data->natypes[i] = 0;
+
+ current_data->nbtypes =
+ (INT4 *) XtMalloc(Common.nbondcolors * sizeof(INT4));
+
+ for(i = 0; i < Common.nbondcolors; i++)
+ current_data->nbtypes[i] = 0;
+
+ if (Common.ndata > 1) {
+ current_data->time = last_data->time;
+
+ for(i = 0; i < 3; i++)
+ current_data->bounds[i] = last_data->bounds[i];
+
+ current_data->maxatoms = last_data->natoms;
+ current_data->positions = (POSITION *)
+ XtMalloc(last_data->natoms * sizeof(POSITION));
+
+ current_data->natoms = 0;
+
+ current_data->maxbonds = last_data->nbonds;
+ current_data->bonds = (BOND *)
+ XtMalloc(last_data->nbonds * sizeof(BOND));
+
+ current_data->nbonds = 0;
+
+ SortData(last_data);
+ }
+ else {
+ current_data->time = 0.0;
+
+ for(i = 0; i < 3; i++) {
+ current_data->bounds[i].low = -1.0;
+ current_data->bounds[i].high = 1.0;
+ }
+
+ current_data->natoms = 0;
+ current_data->positions = NULL;
+ current_data->maxatoms = 0;
+
+ current_data->nbonds = 0;
+ current_data->bonds = NULL;
+ current_data->maxbonds = 0;
+ }
+}
+
+PRIVATE void add_point(int index, int type, float x, float y, float z)
+{
+ POSITION *p;
+
+ if (current_data->natoms >= current_data->maxatoms) {
+ current_data->maxatoms += 16;
+ current_data->positions = (POSITION *)
+ XtRealloc((char *) current_data->positions,
+ current_data->maxatoms * sizeof(POSITION));
+ }
+
+ p = &(current_data->positions[current_data->natoms]);
+
+ p->index = index;
+ p->type = type;
+ p->x = x;
+ p->y = y;
+ p->z = z;
+
+ current_data->natoms++;
+}
+
+
+PRIVATE void add_bond(int type, int index1, int index2)
+{
+ BOND *b;
+
+ if (current_data->nbonds >= current_data->maxbonds) {
+ current_data->maxbonds += 16;
+ current_data->bonds = (BOND *)
+ XtRealloc((char *) current_data->bonds,
+ current_data->maxbonds * sizeof(BOND));
+ }
+
+ b = &(current_data->bonds[current_data->nbonds]);
+
+ b->type = type;
+ b->index1 = index1;
+ b->index2 = index2;
+ b->atom1 = NULL;
+ b->atom2 = NULL;
+
+ current_data->nbonds++;
+}
+
+PRIVATE void ShowStatus(void)
+{
+ static char buffer[256];
+
+ if (ReadData.in_read)
+ sprintf(buffer, "Reading file: %s\n"
+ "Frames: %i Positions: %i Bonds: %i",
+ *ReadData.fnames, Common.ndata, npositions,
+ nbonds);
+ else
+ sprintf(buffer, "Reading done.\n"
+ "Frames: %i Positions: %i Bonds %i",
+ Common.ndata, npositions, nbonds);
+
+ SetReadString(buffer);
+}
+
+/* **************************************************************** */
+
+PRIVATE void SortData(DATA *dptr)
+{
+ POSITION *p, **p_by_index, **pp;
+ register int i, j;
+ int maxindex, minindex, nindex, n;
+ register BOND *b, *b2;
+ float bond_length, shortest, dx, dy, dz;
+
+ /* add hpsort in place of standard C qsort, which is very slow
+ when atoms or bonds are already in order (N^2 instead of NlnN)
+ calling syntax does not change except for first argument
+ becomes arg-1, qsort -> hpsort in 2 places
+ */
+ void hpsort(POSITION *, int, int, int (*)(POSITION *, POSITION *));
+
+ if (!dptr) return;
+
+ /* sort by type */
+
+ hpsort((dptr->positions)-1, dptr->natoms, sizeof(POSITION),
+ compare_atypes);
+
+ /* find out how many of each type */
+
+ for(i = dptr->natoms, p = dptr->positions; i ;i--, p++)
+ dptr->natypes[p->type-1]++;
+
+ if (dptr->nbonds < 1) return;
+
+ /* find max, min indicies */
+
+ minindex = 1000000000;
+ maxindex = -minindex;
+
+ for(i = dptr->natoms, p = dptr->positions; i; i--, p++) {
+ if (p->index > maxindex) maxindex = p->index;
+ if (p->index < minindex) minindex = p->index;
+ }
+
+ nindex = maxindex - minindex + 1;
+
+ if (nindex < 0) {
+ dptr->nbonds = 0;
+ return;
+ }
+
+
+ if (nindex < 1000000) {
+
+ p_by_index = (POSITION **) XtMalloc(nindex*sizeof(POSITION *));
+
+ for(pp = p_by_index, i = nindex; i; i--, pp++)
+ *pp = (POSITION *) NULL;
+
+ for(p = dptr->positions, i = dptr->natoms; i; i--, p++){
+ pp = p_by_index + p->index - minindex;
+ if (*pp != (POSITION *) NULL) {
+ fprintf(stderr,
+ "Error: atom %i has more than one position at time %g.\n",
+ p->index, dptr->time);
+ exit(EXIT_FAILURE);
+ }
+ *pp = p;
+ }
+
+ for(b = dptr->bonds, i = dptr->nbonds; i ; i--, b++) {
+ b->atom1 = p_by_index[b->index1 - minindex];
+ b->atom2 = p_by_index[b->index2 - minindex];
+ if (b->atom1 == (POSITION *) NULL) {
+ fprintf(stderr,
+ "Error: atom %d has no position at time %g.\n",
+ b->index1, dptr->time);
+ exit(EXIT_FAILURE);
+ }
+ if (b->atom2 == (POSITION *) NULL) {
+ fprintf(stderr,
+ "Error: atom %d has no position at time %g.\n",
+ b->index2, dptr->time);
+ exit(EXIT_FAILURE);
+ }
+ }
+
+ XtFree((char *) p_by_index);
+ }
+ else {
+ for(b = dptr->bonds, i = dptr->nbonds; i; i--, b++) {
+ for(p = dptr->positions, j = dptr->natoms; j; j--, p++)
+ if (b->index1 == p->index) {
+ b->atom1 = p;
+ break;
+ }
+ if (j < 1) {
+ fprintf(stderr,
+ "Error: atom %i has no position at time %g.\n",
+ b->index1, dptr->time);
+ exit(EXIT_FAILURE);
+ }
+ for(p = dptr->positions, j = dptr->natoms; j; j--, p++)
+ if (b->index2 == p->index) {
+ b->atom2 = p;
+ break;
+ }
+ if (j < 1) {
+ fprintf(stderr,
+ "Error: atom %i has no position at time %g.\n",
+ b->index2, dptr->time);
+ exit(EXIT_FAILURE);
+ }
+ }
+ }
+
+ /* throw out bonds longer than half the shortest cell size */
+ /* only do if periodic-bond switch is set */
+
+ if (Common.pbc_bond) {
+
+ n = (Common.two_d) ? 2 : 3;
+
+ shortest = 1e30;
+ for(i = 0; i < n; i++){
+ bond_length = dptr->bounds[i].high - dptr->bounds[i].low;
+ if (bond_length < shortest) shortest = bond_length;
+ }
+
+ shortest *= 0.5;
+ shortest *= shortest;
+
+ b = dptr->bonds;
+ b2 = b;
+ for(i = dptr->nbonds; i; i--, b++) {
+ dx = b->atom1->x - b->atom2->x;
+ dy = b->atom1->y - b->atom2->y;
+ dz = b->atom1->z - b->atom2->z;
+ bond_length = dx*dx + dy*dy + dz*dz;
+ if (bond_length < shortest) {
+ if (b2 != b) *b2 = *b;
+ b2++;
+ }
+ }
+
+ dptr->nbonds -= b - b2;
+
+ }
+
+ /* sort by type */
+
+ hpsort((dptr->bonds)-1, dptr->nbonds, sizeof(BOND),
+ compare_btypes);
+
+ /* find out how many of each type */
+
+ for(b = dptr->bonds, i = dptr->nbonds; i; i--, b++)
+ dptr->nbtypes[b->type-1]++;
+}
+
+PRIVATE int compare_atypes(POSITION *a, POSITION *b)
+{
+ if (a->type > b->type) return(1);
+ if (a->type == b->type) return(0);
+ if (a->type < b->type) return(-1);
+}
+
+PRIVATE int compare_btypes(BOND *a, BOND *b)
+{
+ if (a->type > b->type) return(1);
+ if (a->type == b->type) return(0);
+ if (a->type < b->type) return(-1);
+}
+
+/* routine to print out all data for debugging */
+
+#if 0
+
+print_them(void)
+{
+ int i;
+
+ for(i = 0; i < Common.ndata; i++)
+ print_data(Common.dataptr[i]);
+}
+
+print_data(DATA *data)
+{
+ int i;
+ POSITION *p;
+
+ fprintf(stderr,"Time: %f\n", data->time);
+
+ for(i = 0; i < 3; i++)
+ fprintf(stderr,"Bounds %i: %f %f\n", i, data->bounds[i].low,
+ data->bounds[i].high);
+
+ for(i = 0; i < data->natoms; i++) {
+ p = &(data->positions[i]);
+ fprintf(stderr,"Atom: %i %i %f %f %f\n",
+ p->index, p->type, p->x, p->y, p->z);
+ }
+}
+
+#endif
+
+/* **************************************************************** */
+
+PRIVATE int ReadSomeBinary(void)
+{
+ RECORD record_id;
+ LENGTH length;
+ READER *r;
+ char err_msg[256];
+ int state;
+ int old_positions, old_bonds;
+
+ old_positions = npositions;
+ old_bonds = nbonds;
+
+ while(1) {
+ if (!ReadRecordHeader(ReadData.file, &record_id, &length))
+ return(END_OF_FILE);
+
+ r = GetReader(record_id);
+ if (r == (READER *) NULL) { /* dont recognize */
+ fseek(ReadData.file, length, SEEK_CUR);
+ continue;
+ }
+
+ switch(state = (*r->reader)(ReadData.file, length)) {
+ case BEING_NICE:
+ if (old_positions + old_bonds + NBREAD >
+ nbonds + npositions)
+ continue;
+ return(state);
+ case END_OF_FILE:
+ return(state);
+ case READ_OK:
+ continue;
+ case ERROR:
+ default:
+ sprintf(err_msg,"Frames: %i Positions: %i Bonds: %i\n"
+ "Error occurred during binary read.\n"
+ "Read aborted.",
+ Common.ndata, npositions, nbonds);
+ SetReadString(err_msg);
+ return(ERROR);
+ }
+ }
+}
+
+PRIVATE READER *GetReader(RECORD record_id)
+{
+ register int i;
+ register READER *r;
+
+ i = sizeof(read_table)/sizeof(read_table[0]);
+ for(r = read_table; i; i--, r++)
+ if (r->record_id == record_id) return(r);
+
+ return((READER *) NULL);
+}
+
+PRIVATE int ReadRecordHeader(FILE *f, RECORD *record, LENGTH *length)
+{
+ if (1 != fread(record, sizeof(*record), 1, f)) return(FALSE);
+ if (1 != fread(length, sizeof(*length), 1, f)) return(FALSE);
+
+ return(TRUE);
+}
+
+/*ARGSUSED*/
+PRIVATE int ReadBound(FILE *file, LENGTH length)
+{
+ int i, changed;
+ BOUND *b, *cb;
+
+ if (!current_data) NewData();
+
+
+
+ for(b = current_data->bounds, i = 3; i; i--, b++){
+ if (1 != fread(&(b->low), sizeof(b->low), 1, file))
+ return(ERROR);
+ if (1 != fread(&(b->high), sizeof(b->high), 1, file))
+ return(ERROR);
+ }
+
+ changed = 0;
+ for(b=current_data->bounds,cb=Common.bounds,i=3; i;i--,b++,cb++){
+ if (b->low < cb->low) {
+ cb->low = b->low;
+ changed = 1;
+ }
+ if (b->high > cb->high) {
+ cb->high = b->high;
+ changed = 1;
+ }
+ }
+
+ if (changed) NewDataSetup();
+
+ return(READ_OK);
+}
+
+PRIVATE int ReadPosition(FILE *file, LENGTH length)
+{
+ POSITION *p;
+ int n;
+ int i;
+
+ if (!current_data) NewData();
+
+ n = length / (sizeof(p->index) + sizeof(p->type) + 3*sizeof(p->x));
+
+ if (current_data->maxatoms < n) {
+ free(current_data->positions);
+ current_data->maxatoms = n;
+ current_data->positions =
+ (POSITION *) XtMalloc(n * sizeof(POSITION));
+ }
+
+ current_data->natoms = 0;
+ p = current_data->positions;
+ i = 0;
+
+ for(; i < n; i++, p++) {
+ if (1 != fread(&(p->index), sizeof(p->index), 1, file))
+ return(ERROR);
+ if (1 != fread(&(p->type), sizeof(p->type), 1, file))
+ return(ERROR);
+ if (1 != fread(&(p->x), sizeof(p->x), 1, file))
+ return(ERROR);
+ if (1 != fread(&(p->y), sizeof(p->y), 1, file))
+ return(ERROR);
+ if (1 != fread(&(p->z), sizeof(p->z), 1, file))
+ return(ERROR);
+
+ if (p->type < 1 || p->type > Common.natomcolors)
+ p->type = 1;
+
+ npositions++;
+ current_data->natoms++;
+
+ if ((npositions + nbonds)% NPRINT == 0) ShowStatus();
+ }
+
+ return(BEING_NICE);
+}
+
+PRIVATE int ReadBond(FILE *file, LENGTH length)
+{
+ BOND *b;
+ int n;
+ int i;
+
+ if (!current_data) NewData();
+
+ n = length / (sizeof(b->type) + sizeof(b->index1) + sizeof(b->index2));
+
+ if (current_data->maxbonds < n) {
+ free(current_data->bonds);
+ current_data->maxbonds = n;
+ current_data->bonds =
+ (BOND *) XtMalloc(n * sizeof(BOND));
+ }
+
+ current_data->nbonds = 0;
+ b = current_data->bonds;
+ i = 0;
+
+ for(; i < n; i++, b++) {
+ if (1 != fread(&(b->type), sizeof(b->type), 1, file))
+ return(ERROR);
+ if (1 != fread(&(b->index1), sizeof(b->index1), 1, file))
+ return(ERROR);
+ if (1 != fread(&(b->index2), sizeof(b->index2), 1, file))
+ return(ERROR);
+
+ if (b->type < 1 || b->type > Common.nbondcolors)
+ b->type = 1;
+
+ nbonds++;
+ current_data->nbonds++;
+
+ if ((npositions + nbonds)% NPRINT == 0) ShowStatus();
+ }
+
+ return(BEING_NICE);
+}
+
+/*ARGSUSED*/
+PRIVATE int CopyBond(FILE *file, LENGTH length)
+{
+ return( (copy_bonds()) ? READ_OK : ERROR );
+}
+
+
+
+/*ARGSUSED*/
+PRIVATE int ReadTime(FILE *file, LENGTH length)
+{
+ if (!current_data || seen_time) NewData();
+ seen_time = 1;
+
+ if (1 != fread(&(current_data->time), sizeof(current_data->time),
+ 1, file))
+ return(ERROR);
+ return(READ_OK);
+}
diff --git a/tools/xmovie/resource.h b/tools/xmovie/resource.h
new file mode 100755
index 0000000000..418f73eb70
--- /dev/null
+++ b/tools/xmovie/resource.h
@@ -0,0 +1,244 @@
+/* **************************************************************** */
+/* Resource database values */
+/* Can be overridden from .Xdefaults */
+
+String FallbackResources[] = {
+ "*.foreground: black",
+ "*.background: white",
+
+ "*.horizDistance: 4",
+ "*.vertDistance: 4",
+
+ "*Dialog*Translations: #override \\n\
+ <Key>Return: NoOp()\\n\
+ <Key>Up: NoOp()\\n\
+ <Key>Down: NoOp()\\n\
+ Ctrl<Key>C: NoOp()\\n\
+ Ctrl<Key>I: NoOp()\\n\
+ Ctrl<Key>J: NoOp()\\n\
+ Ctrl<Key>M: NoOp()\\n\
+ Ctrl<Key>N: NoOp()\\n\
+ Ctrl<Key>O: NoOp()\\n\
+ Ctrl<Key>P: NoOp()\\n\
+ Ctrl<Key>Q: NoOp()\\n\
+ Ctrl<Key>R: NoOp()\\n\
+ Ctrl<Key>S: NoOp()\\n\
+ Ctrl<Key>V: NoOp()\\n\
+ Ctrl<Key>X: NoOp()\\n\
+ Ctrl<Key>Z: NoOp()\\n\
+ Meta<Key>V: NoOp()",
+
+ "*.Toggle.Translations: #replace \\n\
+ <EnterWindow>: highlight(Always) \\n\
+ <LeaveWindow>: unhighlight() \\n\
+ <Btn1Down>,<Btn1Up>: set()notify() \\n\
+ <Btn2Down>,<Btn2Up>: set()notify() \\n\
+ <Btn3Down>,<Btn3Up>: set()notify()",
+
+ "*.quit.label: Quit",
+ "*.start.label: Start",
+ "*.stop.label: Stop",
+ "*.restart.label: Restart",
+ "*.step.label: +Step",
+ "*.back.label: -Step",
+ "*.save.label: Save",
+ "*.color.label: Color",
+
+ "*.start.fromHoriz: quit",
+ "*.stop.fromHoriz: start",
+ "*.restart.fromHoriz: stop",
+ "*.step.fromHoriz: restart",
+ "*.back.fromHoriz: step",
+ "*.save.fromHoriz: back",
+ "*.color.fromHoriz: save",
+
+ "*.quit.popup.dialog.label: Do you really want to Quit?",
+ "*.quit.popup.dialog.ok.label: Ok",
+ "*.quit.popup.dialog.cancel.label: Cancel",
+ "*.quit.popup.overrideRedirect: True",
+
+ "*.save.menu.atoms.label: Animaton Off",
+ "*.save.menu.bonds.label: Animation On",
+ "*.save.menu.background.label: This Snapshot",
+
+ "*.color.menu.atoms.label: Atoms",
+ "*.color.menu.bonds.label: Bonds",
+ "*.color.menu.background.label: Background",
+ "*.color.menu.filecolor.label: from File",
+
+ "*.atomcolors.title: xmovie atom colors",
+
+ "*.atomcolors.*.apply.label: Apply",
+ "*.atomcolors.*.cancel.label: Dismiss",
+
+ "*.atomcolors.*.Form.Dialog.borderWidth: 2",
+ "*.atomcolors.*.Dialog.*.resizable: True",
+ "*.atomcolors.*.Dialog.Text.width: 200",
+ "*.atomcolors.*.Form.Form.Dialog.borderWidth: 0",
+ "*.atomcolors.*.Form.Form.borderWidth: 2",
+
+ "*.bondcolors.title: xmovie bond colors",
+
+ "*.bondcolors.*.apply.label: Apply",
+ "*.bondcolors.*.cancel.label: Dismiss",
+
+ "*.bondcolors.*.Form.Dialog.borderWidth: 2",
+ "*.bondcolors.*.Dialog.*.resizable: True",
+ "*.bondcolors.*.Dialog.Text.width: 200",
+ "*.bondcolors.*.Form.Form.Dialog.borderWidth: 0",
+ "*.bondcolors.*.Form.Form.borderWidth: 2",
+
+ "*.backcolors.title: xmovie background colors",
+
+ "*.backcolors.*.apply.label: Apply",
+ "*.backcolors.*.cancel.label: Dismiss",
+
+ "*.backcolors.*.bg.label: Background Color",
+ "*.backcolors.*.bg.value: black",
+ "*.backcolors.*.Dialog.Text.width: 200",
+ "*.backcolors.*.Dialog.*.resizable: True",
+
+ "*.filecolors.title: xmovie colors from file",
+
+ "*.filecolors.*.apply.label: Apply",
+ "*.filecolors.*.cancel.label: Dismiss",
+
+ "*.filecolors.*.file.label: File of color settings",
+ "*.filecolors.*.file.value: xmovie.colors",
+ "*.filecolors.*.Dialog.Text.width: 200",
+ "*.filecolors.*.Dialog.*.resizable: True",
+
+ "*.sceneshell.title: xmovie scene",
+ "*.scene.foreground: white",
+ "*.scene.background: black",
+ "*.scene.width: 400",
+ "*.scene.height: 400",
+ "*.scene.Translations: #override \\n\
+ <Expose>: ExposeScene()",
+
+ "*.Scrollbar.orientation: horizontal",
+ "*.Scrollbar.height: 25",
+ "*.Scrollbar.width: 200",
+ "*.Scrollbar.shown: 0.06",
+
+ "*.Label.resize: False",
+
+ "*.time.label: Time: ?",
+ "*.time.width: 406",
+ "*.time.fromVert: quit",
+
+ "*.speedbar.fromVert: time",
+ "*.speedbar.topOfThumb: 0.25",
+
+ "*.speed.fromHoriz: speedbar",
+ "*.speed.fromVert: time",
+ "*.speed.label: Speed: ?",
+ "*.speed.width: 200",
+ "*.speed.height: 25",
+ "*.speed.resize: False",
+
+ "*.positionbar.fromVert: speedbar",
+ "*.positionbar.topOfThumb: 0.5",
+
+ "*.position.fromHoriz: positionbar",
+ "*.position.fromVert: speed",
+ "*.position.label: Position: ?",
+ "*.position.width: 200",
+ "*.position.height: 25",
+ "*.position.resize: False",
+
+ "*.thicknessbar.fromVert: positionbar",
+ "*.thicknessbar.topOfThumb: 0.1",
+
+ "*.thickness.fromHoriz: thicknessbar",
+ "*.thickness.fromVert: position",
+ "*.thickness.label: Speed: ?",
+ "*.thickness.width: 200",
+ "*.thickness.height: 25",
+ "*.thickness.resize: False",
+
+ "*.Scrollbar.Translations: #override \\n\
+ <Btn1Down>: StartScroll(Continuous)MoveThumb()NotifyThumb() \\n\
+ <Btn3Down>: StartScroll(Continuous)MoveThumb()NotifyThumb() \\n\
+ <Btn1Motion>: MoveThumb()NotifyThumb() \\n\
+ <Btn3Motion>: MoveThumb()NotifyThumb()",
+
+ "*.axis.label: Viewing Axis",
+ "*.axis.fromVert: thicknessbar",
+ "*.axis.width: 200",
+ "*.axis.height: 25",
+
+ "*.x.fromVert: axis",
+ "*.x.label: X",
+ "*.x.width: 26",
+ "*.x.height: 25",
+ "*.x.horizDistance: 61",
+
+ "*.y.fromVert: axis",
+ "*.y.fromHoriz: x",
+ "*.y.label: Y",
+ "*.y.width: 26",
+ "*.y.height: 25",
+ "*.y.radioGroup: x",
+
+ "*.z.fromVert: axis",
+ "*.z.fromHoriz: y",
+ "*.z.label: Z",
+ "*.z.width: 26",
+ "*.z.height: 25",
+ "*.z.radioGroup: x",
+ "*.z.state: True",
+
+ "*.viewdir.label: Viewing Direction",
+ "*.viewdir.fromVert: x",
+ "*.viewdir.width: 200",
+ "*.viewdir.height: 25",
+
+ "*.vplus.fromVert: viewdir",
+ "*.vplus.horizDistance: 76",
+ "*.vplus.label: +",
+ "*.vplus.height: 25",
+ "*.vplus.width: 26",
+
+ "*.vminus.fromVert: viewdir",
+ "*.vminus.fromHoriz: vplus",
+ "*.vminus.label: -",
+ "*.vminus.width: 26",
+ "*.vminus.height: 25",
+ "*.vminus.radioGroup: vplus",
+ "*.vminus.state: True",
+
+ "*.motiondir.label: Movie Direction",
+ "*.motiondir.fromVert: vplus",
+ "*.motiondir.width: 200",
+ "*.motiondir.height: 25",
+
+ "*.mplus.fromVert: motiondir",
+ "*.mplus.horizDistance: 12",
+ "*.mplus.label: Forward",
+ "*.mplus.width: 90",
+ "*.mplus.height: 25",
+ "*.mplus.state: True",
+
+ "*.mminus.fromVert: motiondir",
+ "*.mminus.fromHoriz: mplus",
+ "*.mminus.label: Backward",
+ "*.mminus.width: 90",
+ "*.mminus.height: 25",
+ "*.mminus.radioGroup: mplus",
+
+ "*.axes.fromVert: thickness",
+ "*.axes.fromHoriz: axis",
+ "*.axes.width: 200",
+ "*.axes.height: 177",
+ "*.axes.resize: False",
+ "*.axes.Translations: #override \\n\
+ <Expose>: ExposeAxes()",
+
+ "*.read.fromVert: mplus",
+ "*.read.height: 100",
+ "*.read.width: 406",
+ "*.read.resize: False",
+
+ NULL,
+ };
diff --git a/tools/xmovie/scene.c b/tools/xmovie/scene.c
new file mode 100755
index 0000000000..e021aa580f
--- /dev/null
+++ b/tools/xmovie/scene.c
@@ -0,0 +1,673 @@
+/* **************************************************************** */
+/* functions to deal with drawing atoms, etc. */
+
+#include <stdio.h>
+
+#include <X11/Intrinsic.h>
+#include <X11/StringDefs.h>
+#include <X11/Shell.h>
+
+#include <X11/Xaw/Label.h>
+#include <X11/Xaw/Cardinals.h>
+
+#include <X11/xpm.h>
+
+#include "xmovie.h"
+
+/* hard offsets so we dont draw on exact edge of screen */
+
+#define HOFFSET 5
+#define VOFFSET 5
+
+typedef XArc POINT;
+typedef XSegment LINE;
+
+/* **************************************************************** */
+/* local prototypes */
+
+PRIVATE LINE *ClipAndScaleLines(BOND *b, int cnt, int *nlines);
+PRIVATE POINT *ClipAndScalePoints(POSITION *p, int cnt, Dimension diam,
+ int *npoints);
+PRIVATE void DrawPoints(Display *display, Drawable drawable, GC gc,
+ POINT *points, int npoints);
+PRIVATE void DrawLines(Display *display, Drawable drawable, GC gc,
+ LINE *lines, int nlines);
+PRIVATE void SceneDraw(void);
+PRIVATE void SetAllColors(void);
+PRIVATE void MotionUpdate(void);
+
+/* **************************************************************** */
+/* local data */
+
+static Widget Scene;
+static Widget Shell;
+static Pixmap Buffer;
+
+static GC *gc = (GC *) NULL;
+static GC *bondgc = (GC *) NULL;
+static GC bggc;
+static int first = 1;
+static Dimension Height, Width;
+
+XtIntervalId TimeOut = (XtIntervalId) NULL;
+static String null_string = "";
+
+/* **************************************************************** */
+
+Widget CreateScene(Widget parent, char *name)
+{
+ Shell = XtCreatePopupShell("sceneshell", transientShellWidgetClass,
+ parent, NULL, ZERO);
+
+ Scene = XtVaCreateManagedWidget(name, labelWidgetClass, Shell,
+ XtNlabel, &null_string, NULL);
+
+ gc = (GC *) XtMalloc(Common.natomcolors * sizeof(GC));
+ bondgc = (GC *) XtMalloc(Common.nbondcolors * sizeof(GC));
+
+ XtPopup(Shell, XtGrabNone);
+
+ return(Scene);
+}
+
+PRIVATE void SceneDraw(void)
+{
+ DATA *dptr;
+ POINT *points;
+ LINE *lines;
+ POSITION *p;
+ BOND *b;
+ int i;
+ int npoints, nlines;
+ char s[40];
+ static int last_step = -1;
+
+ if (!XtIsRealized(Scene)) return;
+
+ if (first) {
+ SetAllColors();
+ first = 0;
+ }
+
+ /* Clear everything */
+
+ if (Common.step >= Common.ndata) return;
+ if (Common.step < 0) return;
+
+ XFillRectangle(XtDisplay(Scene), Buffer, bggc, 0, 0,
+ Width, Height);
+
+ /* XClearWindow(XtDisplay(Scene), XtWindow(Scene)); */
+
+ /* find the data */
+
+ dptr = Common.dataptr + Common.step;
+
+ /* loop over colors */
+
+ b = dptr->bonds;
+ for(i = 0; i < Common.nbondcolors; i++) {
+ if (Common.bonds_visible[i]) {
+ lines = ClipAndScaleLines(b, dptr->nbtypes[i],&nlines);
+ DrawLines(XtDisplay(Scene), Buffer, bondgc[i],
+ lines, nlines);
+ }
+ b += dptr->nbtypes[i];
+ }
+
+ p = dptr->positions;
+ for(i = 0; i < Common.natomcolors; i++){
+ if (Common.atoms_visible[i]) {
+ points = ClipAndScalePoints(p, dptr->natypes[i],
+ Common.diameter[i], &npoints);
+ DrawPoints(XtDisplay(Scene), Buffer, gc[i], points,
+ npoints);
+ }
+ p += dptr->natypes[i];
+ }
+
+ XCopyArea(XtDisplay(Scene), Buffer, XtWindow(Scene), bggc,
+ 0, 0, Width, Height, 0, 0);
+
+ XFlush(XtDisplay(Scene));
+
+ if (Common.step == last_step) return;
+ last_step = Common.step;
+
+ sprintf(s,"Time: %g Frame: %i", dptr->time, Common.step+1);
+ SetTime(s);
+}
+
+PRIVATE void MotionUpdate(void)
+{
+ int next_step;
+
+ SceneUpdate();
+
+ if (Common.saveflag) {
+ char str[24];
+ if (Common.step < 10)
+ sprintf(str,"image00%d.xpm",Common.step);
+ else if (Common.step < 100)
+ sprintf(str,"image0%d.xpm",Common.step);
+ else
+ sprintf(str,"image%d.xpm",Common.step);
+ XpmWriteFileFromPixmap(XtDisplay(Scene),str,Buffer,NULL,NULL);
+ }
+
+ if (!Common.motion) return;
+
+ next_step = CoerceStep(Common.step + Common.dstep);
+
+ if (next_step == Common.step) {
+ RemoveMotion();
+ return;
+ }
+
+ Common.step = next_step;
+
+ TimeOut = (XtIntervalId) NULL;
+
+ InstallMotion();
+}
+
+void SceneUpdate(void)
+{
+
+ if (!Common.init) return;
+
+ /* Common.step = CoerceStep(Common.step); */
+
+ SceneDraw();
+}
+
+void SceneSave(void)
+{
+ char str[24];
+ sprintf(str,"image.%d.xpm",Common.step);
+ XpmWriteFileFromPixmap(XtDisplay(Scene),str,Buffer,NULL,NULL);
+}
+
+int CoerceStep(int step)
+{
+ if (step >= Common.ndata) return (Common.ndata-1);
+ if (step < 0) return(0);
+ return(step);
+}
+
+void ExposeScene(Widget w, XEvent *event, String *strings,
+ Cardinal *nstrings)
+{
+ NewDataSetup();
+ SceneDraw();
+}
+
+
+void InstallMotion(void)
+{
+ Common.motion = 1;
+
+ if (TimeOut == (XtIntervalId) NULL)
+ TimeOut = XtAppAddTimeOut(XtWidgetToApplicationContext(Scene),
+ Common.delay,
+ (XtTimerCallbackProc) MotionUpdate, NULL);
+}
+
+void RemoveMotion(void)
+{
+ if (!Common.motion) return;
+
+ Common.motion = 0;
+ Common.step = CoerceStep(Common.step - Common.dstep);
+
+ if (TimeOut != (XtIntervalId) NULL) XtRemoveTimeOut(TimeOut);
+ TimeOut = (XtIntervalId) NULL;
+}
+
+void SceneSize(Dimension *width, Dimension *height)
+{
+ XtVaGetValues(Scene, XtNwidth, width, XtNheight, height, NULL);
+}
+
+PRIVATE POINT *ClipAndScalePoints(POSITION *pos, int cnt, Dimension diam,
+ int *npoints)
+{
+ register int i;
+ BOUND range;
+ register POINT *p;
+ Dimension width, height;
+ static int max_points = 0;
+ static POINT *points = (POINT *) NULL;
+
+ range.low = Common.position - Common.thickness * 0.5;
+ range.high = Common.position + Common.thickness * 0.5;
+
+ /* use a static buffer so minimize number of allocations */
+ /* didnt use Realloc because dont want data copied */
+
+ *npoints = cnt;
+ if (*npoints > max_points) {
+ XtFree((char *) points);
+ points = (POINT *) XtMalloc( *npoints * sizeof(POINT));
+ max_points = *npoints;
+ }
+ p = points;
+
+ if (cnt < 1) return(points);
+
+ SceneSize(&width, &height);
+ width -= 2*HOFFSET;
+ height -= 2*VOFFSET;
+
+ /* translate x, y, z to x and y in window. */
+ /* note: index and type are also passed, but may not be used */
+
+ switch(3*Common.direction + Common.axis){
+ case 0: /* negative direction, x axis */
+ for(i = cnt; i; i--, pos++) {
+ if (pos->x > range.high) continue;
+ if (pos->x < range.low) continue;
+ p->x = width -
+ (pos->z * Common.scale + Common.offset[2]);
+ p->y = height -
+ (pos->y * Common.scale + Common.offset[1]);
+ p->width = diam;
+ p->height = diam;
+ p++;
+ }
+ break;
+ case 1: /* negative direction, y axis */
+ for(i = cnt; i; i--, pos++) {
+ if (pos->y > range.high) continue;
+ if (pos->y < range.low) continue;
+ p->x = pos->x * Common.scale + Common.offset[0];
+ p->y = pos->z * Common.scale + Common.offset[2];
+ p->width = diam;
+ p->height = diam;
+ p++;
+ }
+ break;
+ case 2: /* negative direction, z axis */
+ for(i = cnt; i; i--, pos++) {
+ if (pos->z > range.high) continue;
+ if (pos->z < range.low) continue;
+ p->x = pos->x * Common.scale + Common.offset[0];
+ p->y = height -
+ (pos->y * Common.scale + Common.offset[1]);
+ p->width = diam;
+ p->height = diam;
+ p++;
+ }
+ break;
+ case 3: /* positive direction, x axis */
+ for(i = cnt; i; i--, pos++) {
+ if (pos->x > range.high) continue;
+ if (pos->x < range.low) continue;
+ p->x = pos->z * Common.scale + Common.offset[2];
+ p->y = height -
+ (pos->y * Common.scale + Common.offset[1]);
+ p->width = diam;
+ p->height = diam;
+ p++;
+ }
+ break;
+
+ case 4: /* positive direction, y axis */
+ for(i = cnt; i; i--, pos++) {
+ if (pos->y > range.high) continue;
+ if (pos->y < range.low) continue;
+ p->x = pos->x * Common.scale + Common.offset[0];
+ p->y = height -
+ (pos->z * Common.scale + Common.offset[2]);
+ p->width = diam;
+ p->height = diam;
+ p++;
+ }
+ break;
+
+
+ case 5: /* postive direction, z axis */
+ for(i = cnt; i; i--, pos++) {
+ if (pos->z > range.high) continue;
+ if (pos->z < range.low) continue;
+ p->x = pos->x * Common.scale + Common.offset[0];
+ p->y = pos->y * Common.scale + Common.offset[1];
+ p->width = diam;
+ p->height = diam;
+ p++;
+ }
+ break;
+ }
+
+ *npoints = p - points;
+
+ /* add the hard offsets so we dont draw on edge of screen */
+ /* center drawing based on width, height */
+
+ for(i = *npoints, p = points; i; i--, p++) {
+ p->x += HOFFSET - p->width/2;
+ p->y += VOFFSET - p->height/2;
+ }
+
+ return(points);
+}
+
+
+PRIVATE void DrawPoints(Display *display, Drawable drawable, GC gc,
+ POINT *points, int npoints)
+{
+ register int full_circle;
+ register int i;
+ register POINT *p;
+
+ if (npoints <= 0) return;
+
+ /* this version has POINT typedef'd to XArc, so we need to */
+ /* fill in other fields before drawing */
+
+ full_circle = 64*360;
+
+ for(i = npoints, p = points; i ; i--, p++){
+ p->angle1 = 0;
+ p->angle2 = full_circle;
+ }
+
+ if (Common.hollow) {
+ if (Common.opaque)
+ XFillArcs(display, drawable, bggc, points, npoints);
+ XDrawArcs(display, drawable, gc, points, npoints);
+ }
+ else
+ XFillArcs(display, drawable, gc, points, npoints);
+
+}
+
+PRIVATE LINE *ClipAndScaleLines(BOND *bond, int cnt, int *nlines)
+{
+ register int i;
+ BOUND range;
+ register LINE *l;
+ Dimension width, height;
+ static int max_lines = 0;
+ static LINE *lines = (LINE *) NULL;
+
+ range.low = Common.position - Common.thickness * 0.5;
+ range.high = Common.position + Common.thickness * 0.5;
+
+ /* use a static buffer so minimize number of allocations */
+ /* didnt use Realloc because dont want data copied */
+
+ *nlines = cnt;
+ if (*nlines > max_lines) {
+ XtFree((char *) lines);
+ lines = (LINE *) XtMalloc( *nlines * sizeof(LINE));
+ max_lines = *nlines;
+ }
+ l = lines;
+
+ if (cnt < 1) return(lines);
+
+ SceneSize(&width, &height);
+ width -= 2*HOFFSET;
+ height -= 2*VOFFSET;
+
+ /* translate x, y, z to x and y in window. */
+
+ switch(3*Common.direction + Common.axis){
+ case 0: /* negative direction, x axis */
+ for(i = cnt; i; i--, bond++) {
+ if (bond->atom1->x > range.high) continue;
+ if (bond->atom1->x < range.low) continue;
+ if (bond->atom2->x > range.high) continue;
+ if (bond->atom2->x < range.low) continue;
+ l->x1 = width -
+ (bond->atom1->z*Common.scale+Common.offset[2]);
+ l->y1 = height -
+ (bond->atom1->y*Common.scale+Common.offset[1]);
+ l->x2 = width -
+ (bond->atom2->z*Common.scale+Common.offset[2]);
+ l->y2 = height -
+ (bond->atom2->y*Common.scale+Common.offset[1]);
+ l++;
+ }
+ break;
+ case 1: /* negative direction, y axis */
+ for(i = cnt; i; i--, bond++) {
+ if (bond->atom1->y > range.high) continue;
+ if (bond->atom1->y < range.low) continue;
+ if (bond->atom2->y > range.high) continue;
+ if (bond->atom2->y < range.low) continue;
+ l->x1 = bond->atom1->x*Common.scale + Common.offset[0];
+ l->y1 = bond->atom1->z*Common.scale + Common.offset[2];
+ l->x2 = bond->atom2->x*Common.scale + Common.offset[0];
+ l->y2 = bond->atom2->z*Common.scale + Common.offset[2];
+ l++;
+ }
+ break;
+ case 2: /* negative direction, z axis */
+ for(i = cnt; i; i--, bond++) {
+ if (bond->atom1->z > range.high) continue;
+ if (bond->atom1->z < range.low) continue;
+ if (bond->atom2->z > range.high) continue;
+ if (bond->atom2->z < range.low) continue;
+ l->x1 = bond->atom1->x*Common.scale + Common.offset[0];
+ l->y1 = height -
+ (bond->atom1->y*Common.scale+Common.offset[1]);
+ l->x2 = bond->atom2->x*Common.scale + Common.offset[0];
+ l->y2 = height -
+ (bond->atom2->y*Common.scale+Common.offset[1]);
+ l++;
+ }
+ break;
+ case 3: /* positive direction, x axis */
+ for(i = cnt; i; i--, bond++) {
+ if (bond->atom1->x > range.high) continue;
+ if (bond->atom1->x < range.low) continue;
+ if (bond->atom2->x > range.high) continue;
+ if (bond->atom2->x < range.low) continue;
+ l->x1 = bond->atom1->z*Common.scale + Common.offset[2];
+ l->y1 = height -
+ (bond->atom1->y*Common.scale+Common.offset[1]);
+ l->x2 = bond->atom2->z*Common.scale + Common.offset[2];
+ l->y2 = height -
+ (bond->atom2->y*Common.scale+Common.offset[1]);
+ l++;
+ }
+ break;
+
+ case 4: /* positive direction, y axis */
+ for(i = cnt; i; i--, bond++) {
+ if (bond->atom1->y > range.high) continue;
+ if (bond->atom1->y < range.low) continue;
+ if (bond->atom2->y > range.high) continue;
+ if (bond->atom2->y < range.low) continue;
+ l->x1 = bond->atom1->x*Common.scale + Common.offset[0];
+ l->y1 = height -
+ (bond->atom1->z*Common.scale+Common.offset[2]);
+ l->x2 = bond->atom2->x*Common.scale + Common.offset[0];
+ l->y2 = height -
+ (bond->atom2->z*Common.scale+Common.offset[2]);
+ l++;
+ }
+ break;
+
+
+ case 5: /* postive direction, z axis */
+ for(i = cnt; i; i--, bond++) {
+ if (bond->atom1->z > range.high) continue;
+ if (bond->atom1->z < range.low) continue;
+ if (bond->atom2->z > range.high) continue;
+ if (bond->atom2->z < range.low) continue;
+ l->x1 = bond->atom1->x*Common.scale + Common.offset[0];
+ l->y1 = bond->atom1->y*Common.scale + Common.offset[1];
+ l->x2 = bond->atom2->x*Common.scale + Common.offset[0];
+ l->y2 = bond->atom2->y*Common.scale + Common.offset[1];
+ l++;
+ }
+ break;
+ }
+
+ *nlines = l - lines;
+
+ /* add the hard offsets so we dont draw on edge of screen */
+
+ for(i = *nlines, l = lines; i; i--, l++) {
+ l->x1 += HOFFSET;
+ l->y1 += VOFFSET;
+ l->x2 += HOFFSET;
+ l->y2 += VOFFSET;
+ }
+
+ return(lines);
+}
+
+
+PRIVATE void DrawLines(Display *display, Drawable drawable, GC gc,
+ LINE *lines, int nlines)
+{
+ if (nlines <= 0) return;
+
+ XDrawSegments(display, drawable, gc, lines, nlines);
+}
+
+void Setup(void)
+{
+ NewDataSetup();
+ SpeedUpdate();
+ UpdateRadios();
+}
+
+void NewDataSetup(void)
+{
+ static int have_pixmap = 0;
+
+ BOUND *cb;
+ int i;
+ float longest, f;
+ Dimension width, height;
+
+ SceneSize(&Width, &Height);
+
+ if (have_pixmap) XFreePixmap(XtDisplay(Scene), Buffer);
+
+ Buffer = XCreatePixmap(XtDisplay(Scene),
+ RootWindowOfScreen(XtScreen(Scene)), Width, Height,
+ DefaultDepthOfScreen(XtScreen(Scene)));
+
+ have_pixmap = 1;
+
+ /* determine global scaling and offset factors */
+ /* offset + scale * coordinate = pixel */
+
+ longest = 0.0;
+ for(i = 3, cb = Common.bounds; i ; i--, cb++)
+ if ((f = (cb->high) - (cb->low)) > longest) longest = f;
+
+ SceneSize(&Width, &Height);
+ width = Width;
+ height = Height;
+
+ width -= HOFFSET*2;
+ height -= VOFFSET*2;
+
+ Common.scale = (width < height) ? width/longest : height/longest;
+
+ for(i = 0; i < 3; i++)
+ Common.offset[i] = - Common.bounds[i].low * Common.scale;
+
+ PositionUpdate();
+ ThicknessUpdate();
+}
+
+/* **************************************************************** */
+
+void SetAtomColors(Pixel *fg)
+{
+ int i;
+ XGCValues xgc;
+
+ XtVaGetValues(Scene, XtNbackground, &xgc.background, NULL);
+
+ xgc.function = GXcopy;
+
+ for(i = 0; i < Common.natomcolors; i++) {
+ if (gc[i]) XFreeGC(XtDisplay(Scene), gc[i]);
+ xgc.foreground = fg[i];
+ gc[i] = XCreateGC(XtDisplay(Scene), XtWindow(Scene),
+ GCFunction | GCBackground | GCForeground, &xgc);
+ }
+
+ if (bggc) XFreeGC(XtDisplay(Scene), bggc);
+ xgc.foreground = xgc.background;
+ bggc = XCreateGC(XtDisplay(Scene), XtWindow(Scene),
+ GCFunction | GCBackground | GCForeground, &xgc);
+
+}
+
+void SetBGColor(Pixel bg)
+{
+ XGCValues xgc;
+
+ XtVaSetValues(Scene, XtNbackground, bg, NULL);
+
+ if (bggc) XFreeGC(XtDisplay(Scene), bggc);
+
+ xgc.function = GXcopy;
+ xgc.foreground = xgc.background = bg;
+
+ bggc = XCreateGC(XtDisplay(Scene), XtWindow(Scene),
+ GCFunction | GCBackground | GCForeground, &xgc);
+
+}
+
+/* **************************************************************** */
+
+void SetBondColors(Pixel *fg, Dimension *thick)
+{
+ int i;
+ XGCValues xgc;
+
+ XtVaGetValues(Scene, XtNbackground, &xgc.background, NULL);
+
+ xgc.function = GXcopy;
+
+ for(i = 0; i < Common.nbondcolors; i++) {
+ if (bondgc[i]) XFreeGC(XtDisplay(Scene), bondgc[i]);
+ xgc.foreground = fg[i];
+ xgc.line_width = thick[i];
+ bondgc[i] = XCreateGC(XtDisplay(Scene), XtWindow(Scene),
+ GCFunction | GCBackground | GCForeground | GCLineWidth,
+ &xgc);
+ }
+}
+
+/* **************************************************************** */
+
+PRIVATE void SetAllColors(void)
+{
+ int i;
+ XGCValues xgc;
+
+ xgc.function = GXcopy;
+ xgc.line_width = 1;
+
+ XtVaGetValues(Scene,
+ XtNbackground, &xgc.background,
+ XtNforeground, &xgc.foreground,
+ NULL);
+
+ for(i = 0; i < Common.natomcolors; i++)
+ gc[i] = XCreateGC(XtDisplay(Scene), XtWindow(Scene),
+ GCFunction | GCBackground | GCForeground, &xgc);
+
+ for(i = 0; i < Common.nbondcolors; i++)
+ bondgc[i] = XCreateGC(XtDisplay(Scene), XtWindow(Scene),
+ GCFunction | GCBackground | GCForeground | GCLineWidth,
+ &xgc);
+
+ xgc.foreground = xgc.background;
+ bggc = XCreateGC(XtDisplay(Scene), XtWindow(Scene),
+ GCFunction | GCBackground | GCForeground, &xgc);
+
+}
+
diff --git a/tools/xmovie/toascii.c b/tools/xmovie/toascii.c
new file mode 100755
index 0000000000..94dc4a1219
--- /dev/null
+++ b/tools/xmovie/toascii.c
@@ -0,0 +1,425 @@
+/* **************************************************************** */
+/* toascii.c - binary to ascii xmovie format converter */
+/* */
+/* Mike Uttormark - 8/11/92 */
+/* Sandia Nat'l Labs 1421 */
+/* On leave from University of Wisconsin--Madison */
+/* **************************************************************** */
+/* format of binary file: */
+/* */
+/* magic number - 4-byte integer */
+/* version - 4-byte integer */
+/* <records> */
+/* */
+/* generic record format: */
+/* record id - 4-byte integer */
+/* length (bytes) - 4-byte integer */
+/* data */
+/* **************************************************************** */
+
+#define MagicNumber 12344321
+#define Version 1001
+
+#define TimeID 100
+#define BoundID 101
+#define PositionID 102
+#define BondID 103
+#define CopyBondID 104
+#define CopyAtomID 105
+
+#define LINELEN 256
+
+#include <stdio.h>
+#include <stdlib.h>
+#include <string.h>
+
+#ifdef MISSINGDEFS
+#include <unistd.h>
+int fprintf(FILE *, char *, ...);
+int fread(void *, size_t, size_t, FILE *);
+int fseek(FILE *, long int, int);
+#endif
+
+#ifndef EXIT_SUCCESS
+#define EXIT_SUCCESS 0
+#endif
+#ifndef EXIT_FAILURE
+#define EXIT_FAILURE 1
+#endif
+
+#undef TRUE
+#undef FALSE
+#define TRUE 1
+#define FALSE 0
+
+/* **************************************************************** */
+/* local typedefs */
+
+typedef long INT4;
+typedef float REAL4;
+typedef void (*PFV)();
+
+typedef struct {
+ INT4 index;
+ INT4 type;
+ REAL4 coord[3];
+ } POSITION;
+
+typedef struct {
+ INT4 type;
+ INT4 index1;
+ INT4 index2;
+ } BOND;
+
+typedef struct {
+ REAL4 low[3];
+ REAL4 high[3];
+ } BOUND;
+
+typedef struct {
+ REAL4 time;
+ } TIME;
+
+typedef INT4 RECORD;
+typedef INT4 LENGTH;
+typedef INT4 MAGIC;
+typedef INT4 VERSION;
+
+typedef struct {
+ RECORD record_id;
+ PFV writer;
+ } WRITER;
+
+typedef struct {
+ RECORD record_id;
+ PFV reader;
+ } READER;
+
+/* **************************************************************** */
+/* function proto-types */
+
+int main(int argc, char **argv);
+int GetRecord(FILE *file);
+void PutRecord(FILE *file);
+
+void PutTime(FILE *f);
+void PutBound(FILE *f);
+void PutPosition(FILE *f);
+void PutBond(FILE *f);
+void PutCopyBond(FILE *f);
+void PutCopyAtom(FILE *f);
+
+WRITER *GetWriter(RECORD record);
+
+void PrintError(char *s);
+void *Realloc(void *ptr, size_t amt);
+
+READER *GetReader(RECORD record);
+
+void ReadHeader(FILE *f);
+int ReadRecordHeader(FILE *f);
+void ReadTime(FILE *f);
+void ReadBound(FILE *f);
+void ReadPosition(FILE *f);
+void ReadBond(FILE *f);
+void ReadDummy(FILE *f);
+
+/* **************************************************************** */
+/* local data */
+
+static MAGIC magic = MagicNumber;
+static VERSION version = Version;
+static RECORD record;
+static LENGTH length;
+static POSITION *positions = (POSITION *) NULL;
+static INT4 npositions = 0;
+static INT4 maxpositions = 0;
+static BOUND bounds;
+static TIME time;
+static BOND *bonds = (BOND *) NULL;
+static INT4 nbonds = 0;
+static INT4 maxbonds = 0;
+
+static WRITER write_table[] = {
+ { TimeID, PutTime },
+ { BoundID, PutBound },
+ { PositionID, PutPosition },
+ { BondID, PutBond },
+ { CopyBondID, PutCopyBond },
+ { CopyAtomID, PutCopyAtom },
+ };
+
+static READER read_table[] = {
+ { TimeID, ReadTime },
+ { BoundID, ReadBound },
+ { PositionID, ReadPosition },
+ { BondID, ReadBond },
+ { CopyBondID, ReadDummy },
+ { CopyAtomID, ReadDummy },
+ };
+
+/* **************************************************************** */
+
+/* ARGSUSED */
+int main(int argc, char **argv)
+{
+ ReadHeader(stdin);
+
+ while(GetRecord(stdin))
+ PutRecord(stdout);
+
+ exit(EXIT_SUCCESS);
+}
+
+/* **************************************************************** */
+
+int GetRecord(FILE *f)
+{
+ register READER *r;
+
+ while(1) {
+ if (!ReadRecordHeader(f)) return(FALSE);
+ r = GetReader(record);
+ if (r == (READER *) NULL) { /* dont recognize */
+ fseek(f, length, SEEK_CUR); /* skip */
+ continue;
+ }
+ (*r->reader)(f);
+ break;
+ }
+ return(TRUE);
+}
+
+/* **************************************************************** */
+
+READER *GetReader(RECORD record)
+{
+ register READER *r;
+ register int i;
+
+ i = sizeof(read_table)/sizeof(read_table[0]);
+ for(r = read_table; i ; i--, r++)
+ if (r->record_id == record) return(r);
+
+ return((READER *) NULL);
+}
+
+/* **************************************************************** */
+
+void PutTime(FILE *f)
+{
+ fprintf(f, "ITEM: TIME\n"
+ "%g\n", time.time);
+
+}
+
+/* **************************************************************** */
+
+void PutBound(FILE *f)
+{
+ register int i;
+
+ fprintf(f, "ITEM: BOUNDS\n");
+
+ for(i = 0; i < 3; i++)
+ fprintf(f, "%g %g\n", bounds.low[i], bounds.high[i]);
+}
+
+/* **************************************************************** */
+
+void PutPosition(FILE *f)
+{
+ register POSITION *p;
+ register int i;
+
+ fprintf(f,"ITEM: POSITIONS %i\n", npositions);
+
+ for(p = positions, i = npositions; i; i--, p++)
+ fprintf(f, "%i %i %g %g %g\n",p->index, p->type,
+ p->coord[0], p->coord[1], p->coord[2]);
+}
+
+/* **************************************************************** */
+
+void PutBond(FILE *f)
+{
+ register BOND *b;
+ register int i;
+
+ fprintf(f,"ITEM: BONDS %i\n", nbonds);
+
+ for(b = bonds, i = nbonds; i; i--, b++)
+ fprintf(f, "%i %i %i\n", b->type, b->index1, b->index2);
+}
+
+/* **************************************************************** */
+
+void PutCopyBond(FILE *f)
+{
+ fprintf(f, "ITEM: COPYBONDS\n");
+}
+
+/* **************************************************************** */
+
+void PutCopyAtom(FILE *f)
+{
+ fprintf(f, "ITEM: COPYATOMS\n");
+}
+
+/* **************************************************************** */
+
+void PrintError(char *s)
+{
+ fprintf(stderr,"%s", s);
+ exit(EXIT_FAILURE);
+}
+
+/* **************************************************************** */
+
+void *Realloc(void *ptr, size_t amt)
+{
+ ptr = (ptr == NULL) ? malloc(amt) : realloc(ptr, amt);
+
+ if (ptr != NULL) return(ptr);
+
+ PrintError("Error: unable to allocate space.\n");
+}
+
+/* **************************************************************** */
+
+void PutRecord(FILE *f)
+{
+ register WRITER *w;
+
+ w = GetWriter(record);
+ if (w == (WRITER *) NULL)
+ PrintError("Internal error: no writer.\n");
+
+ (*w->writer)(f);
+}
+
+/* **************************************************************** */
+
+WRITER *GetWriter(RECORD r)
+{
+ register int i;
+ register WRITER *w;
+
+ i = sizeof(write_table)/sizeof(write_table[0]);
+ for(w = write_table; i; i--, w++)
+ if (w->record_id == r) return(w);
+
+ return((WRITER *) NULL);
+}
+
+/* **************************************************************** */
+
+
+void ReadHeader(FILE *f)
+{
+ if (1 > fread(&magic, sizeof(magic), 1, f)) goto error;
+ if (1 > fread(&version, sizeof(version), 1, f)) goto error;
+
+ if (magic == MagicNumber) return;
+
+ error:
+
+ PrintError( "Error: magic number not found.\n"
+ "File is probably not binary.\n");
+}
+
+/* **************************************************************** */
+
+void ReadTime(FILE *f)
+{
+ if (1 == fread(&time.time, length, 1, f)) return;
+
+ PrintError("Error: unable to read time.\n");
+}
+
+/* **************************************************************** */
+
+void ReadBound(FILE *f)
+{
+ register int i;
+
+ for(i = 0; i < 3; i++) {
+ if (1 > fread(&bounds.low[i], sizeof(bounds.low[0]), 1, f))
+ goto error;
+ if (1 > fread(&bounds.high[i], sizeof(bounds.high[0]), 1, f))
+ goto error;
+ }
+ return;
+
+ error:
+ PrintError("Error: unable to read bounds.\n");
+}
+
+/* **************************************************************** */
+
+void ReadPosition(FILE *f)
+{
+ register int i;
+ register POSITION *p;
+
+ npositions = length /
+ (sizeof(p->index) + sizeof(p->type) + 3*sizeof(p->coord[0]));
+
+ if (npositions > maxpositions) {
+ maxpositions = npositions + 16;
+ positions = (POSITION *)
+ Realloc(positions, maxpositions * sizeof(*positions));
+ }
+
+ for(i = npositions, p = positions; i; i--, p++) {
+ if (1 > fread(&p->index, sizeof(p->index), 1, f)) goto error;
+ if (1 > fread(&p->type, sizeof(p->type), 1, f)) goto error;
+ if (1 > fread(&p->coord[0], sizeof(p->coord[0]), 1, f)) goto error;
+ if (1 > fread(&p->coord[1], sizeof(p->coord[0]), 1, f)) goto error;
+ if (1 > fread(&p->coord[2], sizeof(p->coord[0]), 1, f)) goto error;
+ }
+ return;
+
+ error:
+ PrintError("Error: unable to get atom positions.\n");
+}
+
+/* **************************************************************** */
+
+void ReadBond(FILE *f)
+{
+ register int i;
+ register BOND *b;
+
+ nbonds = length /
+ (sizeof(b->type) + sizeof(b->index1) + sizeof(b->index2));
+
+ if (nbonds > maxbonds) {
+ maxbonds = nbonds + 16;
+ bonds = (BOND *)
+ Realloc(bonds, maxbonds * sizeof(*bonds));
+ }
+
+ for(i = nbonds, b = bonds; i; i--, b++) {
+ if (1 > fread(&b->type, sizeof(b->type), 1, f)) goto error;
+ if (1 > fread(&b->index1, sizeof(b->index1), 1, f)) goto error;
+ if (1 > fread(&b->index2, sizeof(b->index2), 1, f)) goto error;
+ }
+ return;
+
+ error:
+ PrintError("Error: unable to get bonds.\n");
+}
+
+/* **************************************************************** */
+
+int ReadRecordHeader(FILE *f)
+{
+ if (1 > fread(&record, sizeof(record), 1, f)) return(FALSE);
+ if (1 > fread(&length, sizeof(length), 1, f)) return(FALSE);
+}
+
+/* **************************************************************** */
+
+void ReadDummy(FILE *f)
+{}
diff --git a/tools/xmovie/tobinary.c b/tools/xmovie/tobinary.c
new file mode 100755
index 0000000000..728dd7c10d
--- /dev/null
+++ b/tools/xmovie/tobinary.c
@@ -0,0 +1,525 @@
+/* **************************************************************** */
+/* tobinary.c - binary xmovie format converter */
+/* */
+/* Mike Uttormark - 8/11/92 */
+/* Sandia Nat'l Labs 1421 */
+/* On leave from University of Wisconsin--Madison */
+/* **************************************************************** */
+/* format of binary file: */
+/* */
+/* magic number - 4-byte integer */
+/* version - 4-byte integer */
+/* <records> */
+/* */
+/* generic record format: */
+/* record id - 4-byte integer */
+/* length (bytes) - 4-byte integer */
+/* data */
+/* **************************************************************** */
+
+#define MagicNumber 12344321
+#define Version 1001
+
+#define TimeID 100
+#define BoundID 101
+#define PositionID 102
+#define BondID 103
+#define CopyBondID 104
+#define CopyAtomID 105
+
+#define LINELEN 256
+
+#include <stdio.h>
+#include <stdlib.h>
+#include <string.h>
+
+#ifdef MISSINGDEFS
+long strtol(char *s, char **t, int base);
+double strtod(char *s, char **t);
+int fprintf(FILE *, char *, ...);
+int fwrite(void *, size_t, size_t, FILE *);
+#endif
+
+#ifndef EXIT_SUCCESS
+#define EXIT_SUCCESS 0
+#endif
+#ifndef EXIT_FAILURE
+#define EXIT_FAILURE 1
+#endif
+
+#undef TRUE
+#undef FALSE
+#define TRUE 1
+#define FALSE 0
+
+#define WHITESPACE " \t\n\v\r"
+#define SEPARATORS WHITESPACE ",;"
+
+/* **************************************************************** */
+/* local typedefs */
+
+typedef long INT4;
+typedef float REAL4;
+typedef void (*PFV)();
+
+typedef struct {
+ INT4 index;
+ INT4 type;
+ REAL4 coord[3];
+ } POSITION;
+
+typedef struct {
+ INT4 type;
+ INT4 index1;
+ INT4 index2;
+ } BOND;
+
+typedef struct {
+ REAL4 low[3];
+ REAL4 high[3];
+ } BOUND;
+
+typedef struct {
+ REAL4 time;
+ } TIME;
+
+typedef INT4 RECORD;
+typedef INT4 LENGTH;
+typedef INT4 MAGIC;
+typedef INT4 VERSION;
+
+typedef struct {
+ char *item;
+ RECORD record_id;
+ PFV reader;
+ } PARSER;
+
+typedef struct {
+ RECORD record_id;
+ PFV writer;
+ } WRITER;
+
+/* **************************************************************** */
+/* function proto-types */
+
+int main(int argc, char **argv);
+int GetRecord(FILE *file);
+void PutRecord(FILE *file);
+
+void ReadTime(FILE *f);
+void ReadBound(FILE *f);
+void ReadPosition(FILE *f);
+void ReadBond(FILE *);
+void ReadDummy(FILE *F);
+
+int GetLine(char *s, FILE *f);
+void UnGetLine(char *s);
+int LineIsBlank(char *s);
+int IsItem(char *s, char **t);
+PARSER *GetParser(char *s);
+
+int GetInt4(char *s, char **t, INT4 *i);
+int GetReal4(char *s, char **t, REAL4 *r);
+
+void PrintError(char *s);
+void *Realloc(void *ptr, size_t amt);
+
+WRITER *GetWriter(RECORD record);
+
+void WriteHeader(FILE *f);
+void WriteRecordHeader(FILE *f);
+void WriteTime(FILE *f);
+void WriteBound(FILE *f);
+void WritePosition(FILE *f);
+void WriteBond(FILE *f);
+void WriteDummy(FILE *f);
+
+/* **************************************************************** */
+/* local data */
+
+static MAGIC magic = MagicNumber;
+static VERSION version = Version;
+static RECORD record;
+static LENGTH length;
+static POSITION *positions = (POSITION *) NULL;
+static INT4 npositions = 0;
+static INT4 maxpositions = 0;
+static BOUND bounds;
+static TIME time;
+static BOND *bonds = (BOND *) NULL;
+static INT4 nbonds = 0;
+static INT4 maxbonds = 0;
+
+static PARSER parse_table[] = {
+ { "TIME", TimeID, ReadTime },
+ { "BOUNDS", BoundID, ReadBound },
+ { "POSITIONS", PositionID, ReadPosition },
+ { "BONDS", BondID, ReadBond },
+ { "COPYBONDS", CopyBondID, ReadDummy },
+ { "COPYATOMS", CopyAtomID, ReadDummy },
+ };
+
+static WRITER write_table[] = {
+ { TimeID, WriteTime },
+ { BoundID, WriteBound },
+ { PositionID, WritePosition },
+ { BondID, WriteBond },
+ { CopyBondID, WriteDummy },
+ { CopyAtomID, WriteDummy },
+ };
+
+/* **************************************************************** */
+
+/* ARGSUSED */
+int main(int argc, char **argv)
+{
+ WriteHeader(stdout);
+
+ while(GetRecord(stdin))
+ PutRecord(stdout);
+
+ exit(EXIT_SUCCESS);
+}
+
+/* **************************************************************** */
+
+int GetRecord(FILE *f)
+{
+ char line[LINELEN];
+ char *t;
+ PARSER *p;
+
+ while(1) {
+ if (!GetLine(line, f)) return(FALSE);
+ if (!IsItem(line, &t)) continue;
+ p = GetParser(t);
+ if (p == (PARSER *) NULL) continue;
+ record = p->record_id;
+ (*p->reader)(f);
+ break;
+ }
+ return(TRUE);
+}
+
+/* **************************************************************** */
+
+static int have_line = 0;
+static char hold_line[LINELEN];
+
+int GetLine(char *s, FILE *f)
+{
+ int result;
+
+ if (have_line) {
+ have_line = FALSE;
+ strcpy(s, hold_line);
+ return(TRUE);
+ }
+
+ do {
+ result = (NULL != fgets(s, LINELEN, f));
+ }
+ while ( result && LineIsBlank(s) );
+
+ return(result);
+}
+
+void UnGetLine(char *s)
+{
+ have_line = TRUE;
+ strcpy(hold_line, s);
+}
+
+int LineIsBlank(char *s)
+{
+ register char *t;
+
+ t = s + strspn(s, WHITESPACE);
+ return(*t == '\0');
+}
+
+/* **************************************************************** */
+
+int IsItem(char *s, char **t)
+{
+ register char *item;
+
+ item = strtok(s, WHITESPACE );
+ if (strcmp(item, "ITEM:")) return(FALSE);
+
+ *t = strtok(NULL, WHITESPACE);
+ return(TRUE);
+}
+
+/* **************************************************************** */
+
+PARSER *GetParser(char *s)
+{
+ register PARSER *p;
+ register int i;
+
+ i = sizeof(parse_table)/sizeof(parse_table[0]);
+ for(p = parse_table; i ; i--, p++)
+ if (!strcmp(p->item, s)) return(p);
+
+ return((PARSER *) NULL);
+}
+
+/* **************************************************************** */
+
+void ReadTime(FILE *f)
+{
+ char line[80];
+ char *t;
+
+ if (!GetLine(line, f))
+ PrintError("Error: unable to get line for time.\n");
+
+ if (!GetReal4(line, &t, &time.time))
+ PrintError("Error: unable to convert time.\n");
+
+}
+
+/* **************************************************************** */
+
+void ReadBound(FILE *f)
+{
+ char line[80];
+ char *t;
+ register int i;
+
+ for(i = 0; i < 3; i++) {
+ if (!GetLine(line, f))
+ PrintError("Error: unable to get line for bounds.\n");
+ if (!GetReal4(line, &t, &bounds.low[i]))
+ PrintError("Error: unable to get low bound.\n");
+ if (!GetReal4(t, &t, &bounds.high[i]))
+ PrintError("Error: unable to get high bound.\n");
+ }
+}
+
+/* **************************************************************** */
+
+void ReadPosition(FILE *f)
+{
+ char line[LINELEN];
+ char *t;
+ POSITION p;
+ register int i;
+
+ npositions = 0;
+
+ while(1) {
+ if (!GetLine(line, f)) return;
+ if (!GetInt4(line, &t, &p.index)) {
+ UnGetLine(line);
+ return;
+ }
+ if (!GetInt4(t, &t, &p.type))
+ PrintError("Error: unable to get atoms type.\n");
+ for(i = 0; i < 3; i++)
+ if (!GetReal4(t, &t, &p.coord[i]))
+ PrintError("Error: unable to atom position.\n");
+
+ if (npositions >= maxpositions) {
+ maxpositions += 128;
+ positions = (POSITION *) Realloc(positions,
+ maxpositions * sizeof(*positions));
+ }
+ positions[npositions++] = p;
+ }
+}
+
+/* **************************************************************** */
+
+void ReadBond(FILE *f)
+{
+ char line[LINELEN];
+ char *t;
+ BOND b;
+
+ nbonds = 0;
+
+ while(1) {
+ if (!GetLine(line, f)) return;
+ if (!GetInt4(line, &t, &b.type)) {
+ UnGetLine(line);
+ return;
+ }
+ if (!GetInt4(t, &t, &b.index1))
+ PrintError("Error: unable to get bond index 1.\n");
+
+ if (!GetInt4(t, &t, &b.index2))
+ PrintError("Error: unable to get bond index 2.\n");
+
+ if (nbonds >= maxbonds) {
+ maxbonds += 128;
+ bonds = (BOND *) Realloc(bonds,
+ maxbonds * sizeof(*bonds));
+ }
+ bonds[nbonds++] = b;
+ }
+}
+/* **************************************************************** */
+
+void ReadDummy(FILE *f)
+{}
+
+/* **************************************************************** */
+
+int GetInt4(char *s, char **t, INT4 *i)
+{
+ s += strspn(s, SEPARATORS);
+
+ *i = strtol(s, t, 10);
+
+ return(*t > s);
+}
+
+int GetReal4(char *s, char **t, REAL4 *r)
+{
+ s += strspn(s, SEPARATORS);
+
+ *r = strtod(s, t);
+
+ return(*t > s);
+}
+
+/* **************************************************************** */
+
+void PrintError(char *s)
+{
+ fprintf(stderr,"%s", s);
+ exit(EXIT_FAILURE);
+}
+
+/* **************************************************************** */
+
+void *Realloc(void *ptr, size_t amt)
+{
+ ptr = (ptr == NULL) ? malloc(amt) : realloc(ptr, amt);
+
+ if (ptr != NULL) return(ptr);
+
+ PrintError("Error: unable to allocate space.\n");
+}
+
+/* **************************************************************** */
+
+void PutRecord(FILE *f)
+{
+ WRITER *w;
+
+ w = GetWriter(record);
+ if (w == (WRITER *) NULL)
+ PrintError("Internal error: no writer.\n");
+
+ (*w->writer)(f);
+}
+
+/* **************************************************************** */
+
+WRITER *GetWriter(RECORD r)
+{
+ register int i;
+ register WRITER *w;
+
+ i = sizeof(write_table)/sizeof(write_table[0]);
+ for(w = write_table; i; i--, w++)
+ if (w->record_id == r) return(w);
+
+ return((WRITER *) NULL);
+}
+
+/* **************************************************************** */
+
+
+void WriteHeader(FILE *f)
+{
+ fwrite(&magic, sizeof(magic), 1, f);
+ fwrite(&version, sizeof(version), 1, f);
+}
+
+/* **************************************************************** */
+
+void WriteTime(FILE *f)
+{
+ length = sizeof(time.time);
+
+ WriteRecordHeader(f);
+
+ fwrite(&time.time, length, 1, f);
+}
+
+/* **************************************************************** */
+
+void WriteBound(FILE *f)
+{
+ register int i;
+
+ length = 3 * (sizeof(bounds.low[0]) + sizeof(bounds.high[0]));
+
+ WriteRecordHeader(f);
+
+ for(i = 0; i < 3; i++) {
+ fwrite(&bounds.low[i], sizeof(bounds.low[0]), 1, f);
+ fwrite(&bounds.high[i], sizeof(bounds.high[0]), 1, f);
+ }
+}
+
+/* **************************************************************** */
+
+void WritePosition(FILE *f)
+{
+ register int i;
+ register POSITION *p;
+
+ length = npositions *
+ (sizeof(p->index) + sizeof(p->type) + 3*sizeof(p->coord[0]));
+
+ WriteRecordHeader(f);
+
+ for(i = npositions, p = positions; i; i--, p++) {
+ fwrite(&p->index, sizeof(p->index), 1, f);
+ fwrite(&p->type, sizeof(p->type), 1, f);
+ fwrite(&p->coord[0], sizeof(p->coord[0]), 1, f);
+ fwrite(&p->coord[1], sizeof(p->coord[0]), 1, f);
+ fwrite(&p->coord[2], sizeof(p->coord[0]), 1, f);
+ }
+}
+
+/* **************************************************************** */
+
+void WriteBond(FILE *f)
+{
+ register int i;
+ register BOND *b;
+
+ length = nbonds *
+ (sizeof(b->type) + sizeof(b->index1) + sizeof(b->index2));
+
+ WriteRecordHeader(f);
+
+ for(i = nbonds, b = bonds; i; i--, b++) {
+ fwrite(&b->type, sizeof(b->type), 1, f);
+ fwrite(&b->index1, sizeof(b->index1), 1, f);
+ fwrite(&b->index2, sizeof(b->index2), 1, f);
+ }
+}
+
+/* **************************************************************** */
+
+void WriteDummy(FILE *f)
+{
+ length = 0;
+
+ WriteRecordHeader(f);
+}
+
+/* **************************************************************** */
+
+void WriteRecordHeader(FILE *f)
+{
+ fwrite(&record, sizeof(record), 1, f);
+ fwrite(&length, sizeof(length), 1, f);
+}
diff --git a/tools/xmovie/version.c b/tools/xmovie/version.c
new file mode 100755
index 0000000000..364fa4ab0c
--- /dev/null
+++ b/tools/xmovie/version.c
@@ -0,0 +1,15 @@
+#include <stdio.h>
+#include <stdlib.h>
+
+#include <X11/StringDefs.h>
+#include <X11/Intrinsic.h>
+
+#include "xmovie.h"
+
+void Version(void)
+{
+ fprintf(stderr,"%s %s, compiled %s %s\n"
+ "Copyright 1992 Michael Uttormark, All rights reserved.\n",
+ Progname, VERSION, __DATE__, __TIME__);
+ exit(EXIT_SUCCESS);
+}
diff --git a/tools/xmovie/xmovie.c b/tools/xmovie/xmovie.c
new file mode 100755
index 0000000000..b6a7c893cd
--- /dev/null
+++ b/tools/xmovie/xmovie.c
@@ -0,0 +1,282 @@
+/* ****************************************************************
+ * xmovie - a simple X based movie program
+ *
+ * Mike Uttormark - 7/13/92
+ * Sandia Nat'l Labs 1421
+ * On leave from University of Wisconsin--Madison
+*/
+
+#include <stdio.h>
+#include <stdlib.h>
+
+#include <X11/StringDefs.h>
+
+#include <X11/Intrinsic.h>
+#include <X11/Xaw/Form.h>
+#include <X11/Xaw/Cardinals.h>
+
+#include "xmovie.h"
+#include "resource.h"
+
+extern FILE *popen(const char *, const char *);
+extern int pclose(FILE *);
+
+/* **************************************************************** */
+/* local function prototypes */
+
+int main(int argc, char **argv);
+PRIVATE void CheckResources(void);
+
+/* **************************************************************** */
+/* common data */
+
+CommonData Common = {
+ NULL, /* atoms visible */
+ NULL, /* bonds visible */
+ FALSE, /* hollow */
+ FALSE, /* opaque */
+ FALSE, /* 2d mode */
+ FALSE, /* periodic boundary conditions on bond drawing */
+ FALSE, /* remap atoms into box bounds if necessary */
+ FALSE, /* scale atoms to fill box bounds */
+ FALSE, /* bond copying */
+ FALSE, /* version */
+ 4, /* number of atom types */
+ 4, /* number of bond types */
+ NULL, /* atom diameters */
+ 0, /* init */
+ 0, /* motion off */
+ 0, /* saveflag off */
+ 250L, /* delay interval (ms) */
+ 0, /* next drawing position */
+ 0, /* step number */
+ 1, /* dstep */
+ 2, /* z axis */
+ 0, /* view direction */
+ { { 1e20, 1e-20 }, { 1e20, 1e-20 }, { 1e20, 1e-20 } }, /* bounds */
+ 0, /* ndata */
+ 0, /* maxdata */
+ NULL,
+ };
+
+Widget TopLevel;
+char *Progname;
+
+
+/* **************************************************************** */
+/* local data */
+
+static XrmOptionDescRec options[] = {
+ { "-2D", "*twoDimensions", XrmoptionNoArg, "True" },
+ { "-2d", "*twoDimensions", XrmoptionNoArg, "True" },
+ { "-pbc", "*pbcBond", XrmoptionNoArg, "True" },
+ { "-remap", "*remap", XrmoptionNoArg, "True" },
+ { "-scale", "*scale", XrmoptionNoArg, "True" },
+ { "-copy", "*copyBond", XrmoptionNoArg, "True" },
+ { "-hollow", "*hollow", XrmoptionNoArg, "True" },
+ { "-opaque", "*opaque", XrmoptionNoArg, "True" },
+ { "-V", "*version", XrmoptionNoArg, "True" },
+ { "-atomcolors","*atomColors", XrmoptionSepArg, NULL },
+ { "-bondcolors","*bondColors", XrmoptionSepArg, NULL },
+ };
+
+#define Offset(x,y) (((char *) &(x.y)) - ((char *) &(x)))
+
+static XtResource resources[] = {
+ { "hollow", "Hollow",
+ XtRBool, sizeof(Bool),
+ Offset(Common, hollow),
+ XtRImmediate, (XtPointer) FALSE },
+
+ { "opaque", "Opaque",
+ XtRBool, sizeof(Bool),
+ Offset(Common, opaque),
+ XtRImmediate, (XtPointer) FALSE },
+
+ { "twoDimensions", "TwoDimensions",
+ XtRBool, sizeof(Bool),
+ Offset(Common, two_d),
+ XtRImmediate, (XtPointer) FALSE },
+
+ { "pbcBond", "PbcBond",
+ XtRBool, sizeof(Bool),
+ Offset(Common, pbc_bond),
+ XtRImmediate, (XtPointer) FALSE },
+
+ { "remap", "Remap",
+ XtRBool, sizeof(Bool),
+ Offset(Common, remap),
+ XtRImmediate, (XtPointer) FALSE },
+
+ { "scale", "Scale",
+ XtRBool, sizeof(Bool),
+ Offset(Common, scaleflag),
+ XtRImmediate, (XtPointer) FALSE },
+
+ { "copyBond", "CopyBond",
+ XtRBool, sizeof(Bool),
+ Offset(Common, copy_bond),
+ XtRImmediate, (XtPointer) FALSE },
+
+ { "version", "Version",
+ XtRBool, sizeof(Bool),
+ Offset(Common, version),
+ XtRImmediate, (XtPointer) FALSE },
+
+ { "atomColors", "AtomColors",
+ XtRInt, sizeof(int),
+ Offset(Common,natomcolors),
+ XtRImmediate, (XtPointer) NCOLORS },
+
+ { "bondColors", "BondColors",
+ XtRInt, sizeof(int),
+ Offset(Common,nbondcolors),
+ XtRImmediate, (XtPointer) NCOLORS },
+
+ };
+
+static XtActionsRec actions[] = {
+ { "ExposeScene", ExposeScene },
+ { "ExposeAxes", ExposeAxes },
+ };
+
+int main(int argc, char **argv)
+{
+ XtAppContext AppContext; /* the whole process variable */
+
+ /* Get X stuff going */
+
+ Progname = argv[0];
+
+ TopLevel = XtAppInitialize(&AppContext, "XMovie", options,
+ XtNumber(options), &argc, argv,
+ FallbackResources, NULL, ZERO);
+
+ XtVaGetApplicationResources(TopLevel, (XtPointer) &Common,
+ resources, XtNumber(resources), NULL);
+
+ CheckResources();
+
+ XtAppAddActions(AppContext, actions, XtNumber(actions));
+
+ /* initialize the reading stuff */
+
+ InitRead(argc-1, argv+1);
+
+ /* Create the scene box */
+
+ (void) CreateScene(TopLevel,"scene");
+
+ /* Create the Control panel */
+
+ (void) CreateControl(TopLevel,"control");
+
+ XtRealizeWidget(TopLevel);
+
+ /* put reading into background */
+
+ XtAppAddWorkProc(AppContext, ReadProc, (XtPointer) NULL);
+
+ Setup();
+ Common.init = 1;
+
+ /* Enter Event Loop */
+
+ XtAppMainLoop(AppContext);
+}
+
+int Usage(void)
+{
+ static char *msg[] = {
+ "xmovie - a simple & fast atom/molecule visualizer",
+ " written by Mike Uttormark while at Sandia, 1992",
+ " updated by Steve Plimpton, Sandia National Labs",
+ " contact info: sjplimp@sandia.gov",
+ "",
+ "Usage: xmovie [-Xoptions] [-options] file1 [file2 ...]",
+ " xmovie [-Xoptions] [-options] < file",
+ "",
+ "where -Xoptions are any standard XToolkit options",
+ "-options are any of",
+ " -2d reads two dimensional data files",
+ " -hollow draws hollow atoms",
+ " -opaque draws opaque hollow atoms (implies -hollow)",
+ " -V prints version number and exits",
+ " -pbc does not draw bonds > 1/2 box size",
+ " -remap remap atoms back into bounding box if necessary",
+ " -scale scale atom positions to fill bounding box",
+ " -copy copies bonds from one timestep to next",
+ " -atomcolors n sets number of colors for atoms",
+ " -bondcolors n sets number of colors for bonds",
+ "",
+ "and 'files' are data files in the format",
+ "",
+ " ITEM: TIMESTEP",
+ " time",
+ " ITEM: BOX BOUNDS",
+ " xlow xhigh",
+ " ylow yhigh",
+ " zlow zhigh",
+ " ITEM: BONDS",
+ " type1 atom1a atom1b",
+ " type2 atom2a atom2b",
+ " etc.",
+ " ITEM: ATOMS",
+ " index1 type1 x1 y1 z1",
+ " index2 type2 x2 y2 z2",
+ " etc.",
+ "",
+ "Notes:",
+ " A TIMESTEP item starts a new frame",
+ " A new item (or EOF) ends the list of ATOMS or BONDS",
+ " BOX BOUNDS persist unless reset",
+ " Any items not matching these patterns are skipped",
+ " Data files can be gzipped - e.g. xmovie dump.gz",
+
+ NULL,
+ };
+
+ char **s;
+ char *pager;
+ FILE *pipe;
+
+ /* find user's pager */
+
+ pager = getenv("PAGER");
+ if (!pager || !*pager) pager = "more";
+ pipe = popen(pager, "w");
+ if (!pipe) pipe = stderr;
+
+ for(s = msg; *s; s++)
+ fprintf(pipe,"%s\n", *s);
+
+ if (pipe != stderr) pclose(pipe);
+
+ return(0);
+
+}
+
+PRIVATE void CheckResources(void)
+{
+ if (Common.version) Version();
+
+ if (Common.natomcolors < 0 || Common.natomcolors > MAXCOLORS)
+ Common.natomcolors = 1;
+
+ if (Common.nbondcolors < 0 || Common.nbondcolors > MAXCOLORS)
+ Common.nbondcolors = 1;
+
+ if (Common.opaque) Common.hollow = TRUE;
+
+ Common.atoms_visible =
+ (Bool *) XtMalloc(Common.natomcolors * sizeof(Bool));
+
+ Common.diameter =
+ (Dimension *) XtMalloc(Common.natomcolors * sizeof(Dimension));
+
+ Common.bonds_visible =
+ (Bool *) XtMalloc(Common.nbondcolors * sizeof(Bool));
+
+}
+
+
diff --git a/tools/xmovie/xmovie.h b/tools/xmovie/xmovie.h
new file mode 100755
index 0000000000..97bc49bb34
--- /dev/null
+++ b/tools/xmovie/xmovie.h
@@ -0,0 +1,161 @@
+#ifndef PRIVATE
+#ifdef USEPRIVATE
+#define PRIVATE static
+#else
+#define PRIVATE
+#endif
+#endif
+
+#define VERSION "Version 9.0"
+
+#define NCOLORS 4
+#define MAXCOLORS 24
+#define MAXDIAM 100
+#define MAXTHICK 100
+
+#define MagicNumber 12344321
+#define TimeID 100
+#define BoundID 101
+#define PositionID 102
+#define BondID 103
+#define CopyBondID 104
+#define CopyAtomID 105
+
+typedef long INT4;
+typedef float REAL4;
+
+typedef INT4 RECORD;
+typedef INT4 LENGTH;
+
+typedef struct {
+ INT4 index;
+ INT4 type;
+ REAL4 x;
+ REAL4 y;
+ REAL4 z;
+ } POSITION;
+
+typedef struct {
+ INT4 type;
+ INT4 index1;
+ INT4 index2;
+ POSITION *atom1;
+ POSITION *atom2;
+ } BOND;
+
+typedef struct {
+ REAL4 low;
+ REAL4 high;
+ } BOUND;
+
+typedef struct {
+ REAL4 time;
+ BOUND bounds[3];
+ INT4 natoms;
+ INT4 maxatoms;
+ POSITION *positions;
+ INT4 *natypes;
+ INT4 nbonds;
+ INT4 maxbonds;
+ BOND *bonds;
+ INT4 *nbtypes;
+ } DATA;
+
+typedef struct {
+ Bool *atoms_visible;
+ Bool *bonds_visible;
+ Bool hollow;
+ Bool opaque;
+ Bool two_d;
+ Bool pbc_bond;
+ Bool remap;
+ Bool scaleflag;
+ Bool copy_bond;
+ Bool version;
+ int natomcolors;
+ int nbondcolors;
+ Dimension *diameter;
+ int init;
+ int motion;
+ int saveflag;
+ unsigned long delay;
+ int next_pos;
+ int step;
+ int dstep;
+ int axis;
+ int direction;
+ BOUND bounds[3];
+ int ndata;
+ int maxdata;
+ DATA *dataptr;
+ float position;
+ float thickness;
+ float offset[3];
+ float scale;
+ } CommonData;
+
+extern CommonData Common;
+extern Widget TopLevel;
+extern char *Progname;
+
+Widget CreateScene(Widget parent, char *name);
+Widget CreateControl(Widget parent, char *name);
+
+void InitRead(int argc, char **argv);
+Boolean ReadProc(XtPointer client_data);
+
+void RemoveMotion(void);
+void InstallMotion(void);
+void SceneUpdate(void);
+void SceneSave(void);
+void SetTime(char *s);
+int Usage(void);
+
+void PositionUpdate(void);
+void SpeedUpdate(void);
+void ThicknessUpdate(void);
+void UpdateRadios(void);
+void SceneSize(Dimension *width, Dimension *height);
+void Setup(void);
+void NewDataSetup(void);
+
+void ExposeScene(Widget w, XEvent *event, String *strings,
+ Cardinal *nstrings);
+
+void ExposeAxes(Widget w, XEvent *event, String *strings,
+ Cardinal *nstrings);
+
+int CoerceStep(int step);
+
+void SetReadString(char *s);
+
+void SetAtomColors(Pixel *fg);
+void SetBondColors(Pixel *fg, Dimension *thick);
+void SetBGColor(Pixel bg);
+
+void Version(void);
+
+#ifdef MISSINGDEFS
+
+/* commented this out for SGI gcc compiler
+#ifdef stdin
+int fprintf(FILE *file, char *fmt, ... );
+int fclose(FILE *file);
+int printf(char *fmt, ...);
+int fflush(FILE *f);
+int pclose(FILE *);
+int fread(void *, size_t, size_t, FILE *);
+int fseek(FILE *, long int, int);
+int ungetc(int c, FILE *f);
+#endif
+*/
+
+#if 0
+void XtTranslateCoords(Widget w, Position x, Position y, Position *rx,
+ Position *ry);
+#endif
+
+#define EXIT_SUCCESS 0
+#define EXIT_FAILURE 1
+
+#endif
--
GitLab