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LAMMPS data file. msi2lmp v3.9.7 / 24 Oct 2015 / CGCMM for PyAC_bulk-clayff

   1280 atoms
    128 bonds
      0 angles
      0 dihedrals
      0 impropers

   5 atom types
   1 bond types

   -10.320000000    10.320000000 xlo xhi
   -17.931646038    17.931646038 ylo yhi
    -9.196614681     9.196614681 zlo zhi
     0.225338675    -3.393877748    -0.363656523 xy xz yz

Masses

   1  26.981540 # ao
   2  28.085500 # st
   3  15.999400 # ob
   4  15.999400 # oh
   5   1.007970 # ho

Pair Coeffs # lj/cut/coul/long

   1   0.0000013297   4.2713219316 # ao
   2   0.0000018402   3.3019566252 # st
   3   0.1554164124   3.1655200879 # ob
   4   0.1554164124   3.1655200879 # oh
   5   0.0000000000   0.0000000000 # ho

Bond Coeffs # harmonic

   1   553.9350     1.0000 # oh-ho

Atoms # full

      1      1   1  1.575000     2.586827862     1.497292339     0.000000000   0   0   0 # ao
      2      1   2  2.100000     3.405022262     8.885904024     2.679766593   0   0   0 # st
      3      1   2  2.100000     3.441353082     2.867020152     2.686199476   0   0   0 # st
      4      1   3 -1.050000     3.155524937    -0.004862688     1.061430252   0   0   0 # ob
      5      1   3 -1.050000     3.594863921     2.739521172     1.064187192   0   0   0 # ob
      6      1   4 -0.950000     0.995124606     1.708058368     0.993425143   0   0   0 # oh
      7      1   3 -1.050000    -0.330143482     3.423343273     3.298245183   0   0   0 # ob
      8      1   3 -1.050000     3.142554965     1.402537899     3.293650032   0   0   0 # ob
      9      1   3 -1.050000     2.273933480     3.907815288     3.055632561   0   0   0 # ob
     10      1   5  0.425000     2.086674864     1.701199854     1.194847627   0   0   0 # ho
     11      1   1  1.575000     5.194995167     5.980203650     0.000000000   0   0   0 # ao
     12      1   2  2.100000     0.796854958     4.402992713     2.679766593   0   0   0 # st
     13      1   2  2.100000     0.889520539     7.349931463     2.686199476   0   0   0 # st
     14      1   3 -1.050000     0.603692394     4.478048622     1.061430252   0   0   0 # ob
     15      1   3 -1.050000     1.043031378     7.222432482     1.064187192   0   0   0 # ob
     16      1   4 -0.950000     3.603291911     6.190969679     0.993425143   0   0   0 # oh
     17      1   3 -1.050000     2.278023822     7.906254584     3.298245183   0   0   0 # ob
     18      1   3 -1.050000     0.590722422     5.885449210     3.293650032   0   0   0 # ob
     19      1   3 -1.050000    -0.277899062     8.390726598     3.055632561   0   0   0 # ob
     20      1   5  0.425000     4.694842168     6.184111165     1.194847627   0   0   0 # ho
     21      1   1  1.575000     2.629506747     7.468530282     0.000000000   0   0   0 # ao
     22      1   2  2.100000     1.811312347     0.079918597    -2.679766593   0   0   0 # st
     23      1   2  2.100000     1.774981527     6.098802469    -2.686199476   0   0   0 # st
     24      1   3 -1.050000     2.060809673     8.970685310    -1.061430252   0   0   0 # ob
     25      1   3 -1.050000     1.621470689     6.226301450    -1.064187192   0   0   0 # ob
     26      1   4 -0.950000     4.221210003     7.257764253    -0.993425143   0   0   0 # oh
     27      1   3 -1.050000     5.546478091     5.542479348    -3.298245183   0   0   0 # ob
     28      1   3 -1.050000     2.073779644     7.563284723    -3.293650032   0   0   0 # ob
     29      1   3 -1.050000     2.942401129     5.058007334    -3.055632561   0   0   0 # ob
     30      1   5  0.425000     3.129659745     7.264622768    -1.194847627   0   0   0 # ho
     31      1   1  1.575000     0.021339443     2.985618971     0.000000000   0   0   0 # ao
     32      1   2  2.100000     4.419479652     4.562829908    -2.679766593   0   0   0 # st
     33      1   2  2.100000     4.326814070     1.615891159    -2.686199476   0   0   0 # st
     34      1   3 -1.050000     4.612642215     4.487773999    -1.061430252   0   0   0 # ob
     35      1   3 -1.050000     4.173303231     1.743390139    -1.064187192   0   0   0 # ob
     36      1   4 -0.950000     1.613042699     2.774852942    -0.993425143   0   0   0 # oh
     37      1   3 -1.050000     2.938310787     1.059568038    -3.298245183   0   0   0 # ob
     38      1   3 -1.050000     4.625612187     3.080373412    -3.293650032   0   0   0 # ob
     39      1   3 -1.050000     5.494233672     0.575096023    -3.055632561   0   0   0 # ob
     40      1   5  0.425000     0.521492441     2.781711457    -1.194847627   0   0   0 # ho
     41      1   1  1.575000     7.746827709     1.497292339     0.000000000   0   0   0 # ao
     42      1   2  2.100000   -12.074977890     8.885904024     2.679766593   1   0   0 # st
     43      1   2  2.100000   -12.038647070     2.867020152     2.686199476   1   0   0 # st
     44      1   3 -1.050000     8.315524784    -0.004862688     1.061430252   0   0   0 # ob
     45      1   3 -1.050000   -11.885136232     2.739521172     1.064187192   1   0   0 # ob
     46      1   4 -0.950000     6.155124454     1.708058368     0.993425143   0   0   0 # oh
     47      1   3 -1.050000     4.829856365     3.423343273     3.298245183   0   0   0 # ob
     48      1   3 -1.050000   -12.337445188     1.402537899     3.293650032   1   0   0 # ob
     49      1   3 -1.050000     7.433933328     3.907815288     3.055632561   0   0   0 # ob
     50      1   5  0.425000     7.246674711     1.701199854     1.194847627   0   0   0 # ho
     51      1   1  1.575000   -10.285004986     5.980203650     0.000000000   1   0   0 # ao
     52      1   2  2.100000     5.956854805     4.402992713     2.679766593   0   0   0 # st
     53      1   2  2.100000     6.049520387     7.349931463     2.686199476   0   0   0 # st
     54      1   3 -1.050000     5.763692241     4.478048622     1.061430252   0   0   0 # ob
     55      1   3 -1.050000     6.203031225     7.222432482     1.064187192   0   0   0 # ob
     56      1   4 -0.950000   -11.876708242     6.190969679     0.993425143   1   0   0 # oh
     57      1   3 -1.050000     7.438023670     7.906254584     3.298245183   0   0   0 # ob
     58      1   3 -1.050000     5.750722269     5.885449210     3.293650032   0   0   0 # ob
     59      1   3 -1.050000     4.882100785     8.390726598     3.055632561   0   0   0 # ob
     60      1   5  0.425000   -10.785157984     6.184111165     1.194847627   1   0   0 # ho
     61      1   1  1.575000     7.789506595     7.468530282     0.000000000   0   0   0 # ao
     62      1   2  2.100000     6.971312194     0.079918597    -2.679766593   0   0   0 # st
     63      1   2  2.100000     6.934981375     6.098802469    -2.686199476   0   0   0 # st
     64      1   3 -1.050000     7.220809520     8.970685310    -1.061430252   0   0   0 # ob
     65      1   3 -1.050000     6.781470536     6.226301450    -1.064187192   0   0   0 # ob
     66      1   4 -0.950000   -11.258790149     7.257764253    -0.993425143   1   0   0 # oh
     67      1   3 -1.050000    -9.933522061     5.542479348    -3.298245183   1   0   0 # ob
     68      1   3 -1.050000     7.233779492     7.563284723    -3.293650032   0   0   0 # ob
     69      1   3 -1.050000     8.102400976     5.058007334    -3.055632561   0   0   0 # ob
     70      1   5  0.425000     8.289659593     7.264622768    -1.194847627   0   0   0 # ho
     71      1   1  1.575000     5.181339290     2.985618971     0.000000000   0   0   0 # ao
     72      1   2  2.100000   -11.060520501     4.562829908    -2.679766593   1   0   0 # st
     73      1   2  2.100000   -11.153186083     1.615891159    -2.686199476   1   0   0 # st
     74      1   3 -1.050000   -10.867357937     4.487773999    -1.061430252   1   0   0 # ob
     75      1   3 -1.050000   -11.306696921     1.743390139    -1.064187192   1   0   0 # ob
     76      1   4 -0.950000     6.773042546     2.774852942    -0.993425143   0   0   0 # oh
     77      1   3 -1.050000     8.098310634     1.059568038    -3.298245183   0   0   0 # ob
     78      1   3 -1.050000   -10.854387965     3.080373412    -3.293650032   1   0   0 # ob
     79      1   3 -1.050000    -9.985766481     0.575096023    -3.055632561   1   0   0 # ob
     80      1   5  0.425000     5.681492288     2.781711457    -1.194847627   0   0   0 # ho
     81      1   1  1.575000    -7.733172443     1.497292339     0.000000000   1   0   0 # ao
     82      1   2  2.100000    -6.914978043     8.885904024     2.679766593   1   0   0 # st
     83      1   2  2.100000    -6.878647223     2.867020152     2.686199476   1   0   0 # st
     84      1   3 -1.050000    -7.164475369    -0.004862688     1.061430252   1   0   0 # ob
     85      1   3 -1.050000    -6.725136384     2.739521172     1.064187192   1   0   0 # ob
     86      1   4 -0.950000    -9.324875699     1.708058368     0.993425143   1   0   0 # oh
     87      1   3 -1.050000   -10.650143787     3.423343273     3.298245183   1   0   0 # ob
     88      1   3 -1.050000    -7.177445340     1.402537899     3.293650032   1   0   0 # ob
     89      1   3 -1.050000    -8.046066825     3.907815288     3.055632561   1   0   0 # ob
     90      1   5  0.425000    -8.233325441     1.701199854     1.194847627   1   0   0 # ho
     91      1   1  1.575000    -5.125005139     5.980203650     0.000000000   1   0   0 # ao
     92      1   2  2.100000    -9.523145348     4.402992713     2.679766593   1   0   0 # st
     93      1   2  2.100000    -9.430479766     7.349931463     2.686199476   1   0   0 # st
     94      1   3 -1.050000    -9.716307911     4.478048622     1.061430252   1   0   0 # ob
     95      1   3 -1.050000    -9.276968927     7.222432482     1.064187192   1   0   0 # ob
     96      1   4 -0.950000    -6.716708394     6.190969679     0.993425143   1   0   0 # oh
     97      1   3 -1.050000    -8.041976483     7.906254584     3.298245183   1   0   0 # ob
     98      1   3 -1.050000    -9.729277883     5.885449210     3.293650032   1   0   0 # ob
     99      1   3 -1.050000   -10.597899368     8.390726598     3.055632561   1   0   0 # ob
    100      1   5  0.425000    -5.625158137     6.184111165     1.194847627   1   0   0 # ho
    101      1   1  1.575000    -7.690493558     7.468530282     0.000000000   1   0   0 # ao
    102      1   2  2.100000    -8.508687958     0.079918597    -2.679766593   1   0   0 # st
    103      1   2  2.100000    -8.545018778     6.098802469    -2.686199476   1   0   0 # st
    104      1   3 -1.050000    -8.259190633     8.970685310    -1.061430252   1   0   0 # ob
    105      1   3 -1.050000    -8.698529617     6.226301450    -1.064187192   1   0   0 # ob
    106      1   4 -0.950000    -6.098790302     7.257764253    -0.993425143   1   0   0 # oh
    107      1   3 -1.050000    -4.773522214     5.542479348    -3.298245183   1   0   0 # ob
    108      1   3 -1.050000    -8.246220661     7.563284723    -3.293650032   1   0   0 # ob
    109      1   3 -1.050000    -7.377599176     5.058007334    -3.055632561   1   0   0 # ob
    110      1   5  0.425000    -7.190340560     7.264622768    -1.194847627   1   0   0 # ho
    111      1   1  1.575000   -10.298660863     2.985618971     0.000000000   1   0   0 # ao
    112      1   2  2.100000    -5.900520654     4.562829908    -2.679766593   1   0   0 # st
    113      1   2  2.100000    -5.993186235     1.615891159    -2.686199476   1   0   0 # st
    114      1   3 -1.050000    -5.707358090     4.487773999    -1.061430252   1   0   0 # ob
    115      1   3 -1.050000    -6.146697074     1.743390139    -1.064187192   1   0   0 # ob
    116      1   4 -0.950000    -8.706957607     2.774852942    -0.993425143   1   0   0 # oh
    117      1   3 -1.050000    -7.381689518     1.059568038    -3.298245183   1   0   0 # ob
    118      1   3 -1.050000    -5.694388118     3.080373412    -3.293650032   1   0   0 # ob
    119      1   3 -1.050000    -4.825766634     0.575096023    -3.055632561   1   0   0 # ob
    120      1   5  0.425000    -9.798507864     2.781711457    -1.194847627   1   0   0 # ho
    121      1   1  1.575000    -2.573172596     1.497292339     0.000000000   1   0   0 # ao
    122      1   2  2.100000    -1.754978196     8.885904024     2.679766593   1   0   0 # st
    123      1   2  2.100000    -1.718647376     2.867020152     2.686199476   1   0   0 # st
    124      1   3 -1.050000    -2.004475521    -0.004862688     1.061430252   1   0   0 # ob
    125      1   3 -1.050000    -1.565136537     2.739521172     1.064187192   1   0   0 # ob
    126      1   4 -0.950000    -4.164875852     1.708058368     0.993425143   1   0   0 # oh
    127      1   3 -1.050000    -5.490143940     3.423343273     3.298245183   1   0   0 # ob
    128      1   3 -1.050000    -2.017445493     1.402537899     3.293650032   1   0   0 # ob
    129      1   3 -1.050000    -2.886066977     3.907815288     3.055632561   1   0   0 # ob
    130      1   5  0.425000    -3.073325594     1.701199854     1.194847627   1   0   0 # ho
    131      1   1  1.575000     0.034994709     5.980203650     0.000000000   1   0   0 # ao
    132      1   2  2.100000    -4.363145500     4.402992713     2.679766593   1   0   0 # st
    133      1   2  2.100000    -4.270479918     7.349931463     2.686199476   1   0   0 # st
    134      1   3 -1.050000    -4.556308064     4.478048622     1.061430252   1   0   0 # ob
    135      1   3 -1.050000    -4.116969080     7.222432482     1.064187192   1   0   0 # ob
    136      1   4 -0.950000    -1.556708547     6.190969679     0.993425143   1   0   0 # oh
    137      1   3 -1.050000    -2.881976635     7.906254584     3.298245183   1   0   0 # ob
    138      1   3 -1.050000    -4.569278036     5.885449210     3.293650032   1   0   0 # ob
    139      1   3 -1.050000    -5.437899520     8.390726598     3.055632561   1   0   0 # ob
    140      1   5  0.425000    -0.465158289     6.184111165     1.194847627   1   0   0 # ho
    141      1   1  1.575000    -2.530493711     7.468530282     0.000000000   1   0   0 # ao
    142      1   2  2.100000    -3.348688111     0.079918597    -2.679766593   1   0   0 # st
    143      1   2  2.100000    -3.385018931     6.098802469    -2.686199476   1   0   0 # st
    144      1   3 -1.050000    -3.099190785     8.970685310    -1.061430252   1   0   0 # ob
    145      1   3 -1.050000    -3.538529769     6.226301450    -1.064187192   1   0   0 # ob
    146      1   4 -0.950000    -0.938790455     7.257764253    -0.993425143   1   0   0 # oh
    147      1   3 -1.050000     0.386477634     5.542479348    -3.298245183   1   0   0 # ob
    148      1   3 -1.050000    -3.086220813     7.563284723    -3.293650032   1   0   0 # ob
    149      1   3 -1.050000    -2.217599329     5.058007334    -3.055632561   1   0   0 # ob
    150      1   5  0.425000    -2.030340712     7.264622768    -1.194847627   1   0   0 # ho
    151      1   1  1.575000    -5.138661015     2.985618971     0.000000000   1   0   0 # ao
    152      1   2  2.100000    -0.740520806     4.562829908    -2.679766593   1   0   0 # st
    153      1   2  2.100000    -0.833186388     1.615891159    -2.686199476   1   0   0 # st
    154      1   3 -1.050000    -0.547358242     4.487773999    -1.061430252   1   0   0 # ob
    155      1   3 -1.050000    -0.986697226     1.743390139    -1.064187192   1   0   0 # ob
    156      1   4 -0.950000    -3.546957759     2.774852942    -0.993425143   1   0   0 # oh
    157      1   3 -1.050000    -2.221689671     1.059568038    -3.298245183   1   0   0 # ob
    158      1   3 -1.050000    -0.534388271     3.080373412    -3.293650032   1   0   0 # ob
    159      1   3 -1.050000     0.334233214     0.575096023    -3.055632561   1   0   0 # ob
    160      1   5  0.425000    -4.638508017     2.781711457    -1.194847627   1   0   0 # ho
    161      1   1  1.575000     2.643162624    10.463114961     0.000000000   0   0   0 # ao
    162      1   2  2.100000     3.236018349   -18.011565429     2.679766593   0   1   0 # st
    163      1   2  2.100000     3.497687844    11.832842774     2.686199476   0   0   0 # st
    164      1   3 -1.050000     3.211859698     8.960959933     1.061430252   0   0   0 # ob
    165      1   3 -1.050000     3.651198683    11.705343793     1.064187192   0   0   0 # ob
    166      1   4 -0.950000     1.051459368    10.673880990     0.993425143   0   0   0 # oh
    167      1   3 -1.050000    -0.273808720    12.389165895     3.298245183   0   0   0 # ob
    168      1   3 -1.050000     3.198889727    10.368360521     3.293650032   0   0   0 # ob
    169      1   3 -1.050000     2.330268242    12.873637909     3.055632561   0   0   0 # ob
    170      1   5  0.425000     2.143009626    10.667022476     1.194847627   0   0   0 # ho
    171      1   1  1.575000     5.251329928    14.946026272     0.000000000   0   0   0 # ao
    172      1   2  2.100000     0.853189719    13.368815335     2.679766593   0   0   0 # st
    173      1   2  2.100000     0.945855301    16.315754084     2.686199476   0   0   0 # st
    174      1   3 -1.050000     0.660027156    13.443871244     1.061430252   0   0   0 # ob
    175      1   3 -1.050000     1.099366140    16.188255104     1.064187192   0   0   0 # ob
    176      1   4 -0.950000     3.659626673    15.156792301     0.993425143   0   0   0 # oh
    177      1   3 -1.050000     2.334358584    16.872077205     3.298245183   0   0   0 # ob
    178      1   3 -1.050000     0.647057184    14.851271831     3.293650032   0   0   0 # ob
    179      1   3 -1.050000    -0.221564301    17.356549220     3.055632561   0   0   0 # ob
    180      1   5  0.425000     4.751176930    15.149933786     1.194847627   0   0   0 # ho
    181      1   1  1.575000     2.685841509    16.434352904     0.000000000   0   0   0 # ao
    182      1   2  2.100000     1.867647109     9.045741219    -2.679766593   0   0   0 # st
    183      1   2  2.100000     1.831316289    15.064625091    -2.686199476   0   0   0 # st
    184      1   3 -1.050000     1.891805759   -17.926784144    -1.061430252   0   1   0 # ob
    185      1   3 -1.050000     1.677805450    15.192124071    -1.064187192   0   0   0 # ob
    186      1   4 -0.950000     4.277544765    16.223586875    -0.993425143   0   0   0 # oh
    187      1   3 -1.050000     5.602812853    14.508301970    -3.298245183   0   0   0 # ob
    188      1   3 -1.050000     2.130114406    16.529107344    -3.293650032   0   0   0 # ob
    189      1   3 -1.050000     2.998735891    14.023829955    -3.055632561   0   0   0 # ob
    190      1   5  0.425000     3.185994507    16.230445389    -1.194847627   0   0   0 # ho
    191      1   1  1.575000     0.077674204    11.951441593     0.000000000   0   0   0 # ao
    192      1   2  2.100000     4.475814413    13.528652530    -2.679766593   0   0   0 # st
    193      1   2  2.100000     4.383148832    10.581713780    -2.686199476   0   0   0 # st
    194      1   3 -1.050000     4.668976977    13.453596621    -1.061430252   0   0   0 # ob
    195      1   3 -1.050000     4.229637993    10.709212761    -1.064187192   0   0   0 # ob
    196      1   4 -0.950000     1.669377460    11.740675564    -0.993425143   0   0   0 # oh
    197      1   3 -1.050000     2.994645549    10.025390659    -3.298245183   0   0   0 # ob
    198      1   3 -1.050000     4.681946949    12.046196033    -3.293650032   0   0   0 # ob
    199      1   3 -1.050000     5.550568433     9.540918645    -3.055632561   0   0   0 # ob
    200      1   5  0.425000     0.577827203    11.747534078    -1.194847627   0   0   0 # ho
    201      1   1  1.575000     7.803162471    10.463114961     0.000000000   0   0   0 # ao
    202      1   2  2.100000   -12.243981804   -18.011565429     2.679766593   1   1   0 # st
    203      1   2  2.100000   -11.982312309    11.832842774     2.686199476   1   0   0 # st
    204      1   3 -1.050000     8.371859546     8.960959933     1.061430252   0   0   0 # ob
    205      1   3 -1.050000   -11.828801470    11.705343793     1.064187192   1   0   0 # ob
    206      1   4 -0.950000     6.211459215    10.673880990     0.993425143   0   0   0 # oh
    207      1   3 -1.050000     4.886191127    12.389165895     3.298245183   0   0   0 # ob
    208      1   3 -1.050000   -12.281110426    10.368360521     3.293650032   1   0   0 # ob
    209      1   3 -1.050000     7.490268090    12.873637909     3.055632561   0   0   0 # ob
    210      1   5  0.425000     7.303009473    10.667022476     1.194847627   0   0   0 # ho
    211      1   1  1.575000   -10.228670224    14.946026272     0.000000000   1   0   0 # ao
    212      1   2  2.100000     6.013189567    13.368815335     2.679766593   0   0   0 # st
    213      1   2  2.100000     6.105855149    16.315754084     2.686199476   0   0   0 # st
    214      1   3 -1.050000     5.820027003    13.443871244     1.061430252   0   0   0 # ob
    215      1   3 -1.050000     6.259365987    16.188255104     1.064187192   0   0   0 # ob
    216      1   4 -0.950000   -11.820373480    15.156792301     0.993425143   1   0   0 # oh
    217      1   3 -1.050000     7.494358432    16.872077205     3.298245183   0   0   0 # ob
    218      1   3 -1.050000     5.807057031    14.851271831     3.293650032   0   0   0 # ob
    219      1   3 -1.050000     4.938435547    17.356549220     3.055632561   0   0   0 # ob
    220      1   5  0.425000   -10.728823222    15.149933786     1.194847627   1   0   0 # ho
    221      1   1  1.575000     7.845841356    16.434352904     0.000000000   0   0   0 # ao
    222      1   2  2.100000     7.027646956     9.045741219    -2.679766593   0   0   0 # st
    223      1   2  2.100000     6.991316136    15.064625091    -2.686199476   0   0   0 # st
    224      1   3 -1.050000     7.051805607   -17.926784144    -1.061430252   0   1   0 # ob
    225      1   3 -1.050000     6.837805298    15.192124071    -1.064187192   0   0   0 # ob
    226      1   4 -0.950000   -11.202455388    16.223586875    -0.993425143   1   0   0 # oh
    227      1   3 -1.050000    -9.877187299    14.508301970    -3.298245183   1   0   0 # ob
    228      1   3 -1.050000     7.290114254    16.529107344    -3.293650032   0   0   0 # ob
    229      1   3 -1.050000     8.158735738    14.023829955    -3.055632561   0   0   0 # ob
    230      1   5  0.425000     8.345994355    16.230445389    -1.194847627   0   0   0 # ho
    231      1   1  1.575000     5.237674052    11.951441593     0.000000000   0   0   0 # ao
    232      1   2  2.100000   -11.004185739    13.528652530    -2.679766593   1   0   0 # st
    233      1   2  2.100000   -11.096851321    10.581713780    -2.686199476   1   0   0 # st
    234      1   3 -1.050000   -10.811023175    13.453596621    -1.061430252   1   0   0 # ob
    235      1   3 -1.050000   -11.250362159    10.709212761    -1.064187192   1   0   0 # ob
    236      1   4 -0.950000     6.829377308    11.740675564    -0.993425143   0   0   0 # oh
    237      1   3 -1.050000     8.154645396    10.025390659    -3.298245183   0   0   0 # ob
    238      1   3 -1.050000   -10.798053204    12.046196033    -3.293650032   1   0   0 # ob
    239      1   3 -1.050000    -9.929431719     9.540918645    -3.055632561   1   0   0 # ob
    240      1   5  0.425000     5.737827050    11.747534078    -1.194847627   0   0   0 # ho
    241      1   1  1.575000    -7.676837681    10.463114961     0.000000000   1   0   0 # ao
    242      1   2  2.100000    -7.083981956   -18.011565429     2.679766593   1   1   0 # st
    243      1   2  2.100000    -6.822312461    11.832842774     2.686199476   1   0   0 # st
    244      1   3 -1.050000    -7.108140607     8.960959933     1.061430252   1   0   0 # ob
    245      1   3 -1.050000    -6.668801623    11.705343793     1.064187192   1   0   0 # ob
    246      1   4 -0.950000    -9.268540937    10.673880990     0.993425143   1   0   0 # oh
    247      1   3 -1.050000   -10.593809026    12.389165895     3.298245183   1   0   0 # ob
    248      1   3 -1.050000    -7.121110579    10.368360521     3.293650032   1   0   0 # ob
    249      1   3 -1.050000    -7.989732063    12.873637909     3.055632561   1   0   0 # ob
    250      1   5  0.425000    -8.176990680    10.667022476     1.194847627   1   0   0 # ho
    251      1   1  1.575000    -5.068670377    14.946026272     0.000000000   1   0   0 # ao
    252      1   2  2.100000    -9.466810586    13.368815335     2.679766593   1   0   0 # st
    253      1   2  2.100000    -9.374145004    16.315754084     2.686199476   1   0   0 # st
    254      1   3 -1.050000    -9.659973150    13.443871244     1.061430252   1   0   0 # ob
    255      1   3 -1.050000    -9.220634165    16.188255104     1.064187192   1   0   0 # ob
    256      1   4 -0.950000    -6.660373633    15.156792301     0.993425143   1   0   0 # oh
    257      1   3 -1.050000    -7.985641721    16.872077205     3.298245183   1   0   0 # ob
    258      1   3 -1.050000    -9.672943121    14.851271831     3.293650032   1   0   0 # ob
    259      1   3 -1.050000   -10.541564606    17.356549220     3.055632561   1   0   0 # ob
    260      1   5  0.425000    -5.568823375    15.149933786     1.194847627   1   0   0 # ho
    261      1   1  1.575000    -7.634158796    16.434352904     0.000000000   1   0   0 # ao
    262      1   2  2.100000    -8.452353196     9.045741219    -2.679766593   1   0   0 # st
    263      1   2  2.100000    -8.488684016    15.064625091    -2.686199476   1   0   0 # st
    264      1   3 -1.050000    -8.428194546   -17.926784144    -1.061430252   1   1   0 # ob
    265      1   3 -1.050000    -8.642194855    15.192124071    -1.064187192   1   0   0 # ob
    266      1   4 -0.950000    -6.042455540    16.223586875    -0.993425143   1   0   0 # oh
    267      1   3 -1.050000    -4.717187452    14.508301970    -3.298245183   1   0   0 # ob
    268      1   3 -1.050000    -8.189885899    16.529107344    -3.293650032   1   0   0 # ob
    269      1   3 -1.050000    -7.321264415    14.023829955    -3.055632561   1   0   0 # ob
    270      1   5  0.425000    -7.134005798    16.230445389    -1.194847627   1   0   0 # ho
    271      1   1  1.575000   -10.242326101    11.951441593     0.000000000   1   0   0 # ao
    272      1   2  2.100000    -5.844185892    13.528652530    -2.679766593   1   0   0 # st
    273      1   2  2.100000    -5.936851473    10.581713780    -2.686199476   1   0   0 # st
    274      1   3 -1.050000    -5.651023328    13.453596621    -1.061430252   1   0   0 # ob
    275      1   3 -1.050000    -6.090362312    10.709212761    -1.064187192   1   0   0 # ob
    276      1   4 -0.950000    -8.650622845    11.740675564    -0.993425143   1   0   0 # oh
    277      1   3 -1.050000    -7.325354757    10.025390659    -3.298245183   1   0   0 # ob
    278      1   3 -1.050000    -5.638053356    12.046196033    -3.293650032   1   0   0 # ob
    279      1   3 -1.050000    -4.769431872     9.540918645    -3.055632561   1   0   0 # ob
    280      1   5  0.425000    -9.742173103    11.747534078    -1.194847627   1   0   0 # ho
    281      1   1  1.575000    -2.516837834    10.463114961     0.000000000   1   0   0 # ao
    282      1   2  2.100000    -1.923982109   -18.011565429     2.679766593   1   1   0 # st
    283      1   2  2.100000    -1.662312614    11.832842774     2.686199476   1   0   0 # st
    284      1   3 -1.050000    -1.948140759     8.960959933     1.061430252   1   0   0 # ob
    285      1   3 -1.050000    -1.508801775    11.705343793     1.064187192   1   0   0 # ob
    286      1   4 -0.950000    -4.108541090    10.673880990     0.993425143   1   0   0 # oh
    287      1   3 -1.050000    -5.433809178    12.389165895     3.298245183   1   0   0 # ob
    288      1   3 -1.050000    -1.961110731    10.368360521     3.293650032   1   0   0 # ob
    289      1   3 -1.050000    -2.829732216    12.873637909     3.055632561   1   0   0 # ob
    290      1   5  0.425000    -3.016990832    10.667022476     1.194847627   1   0   0 # ho
    291      1   1  1.575000     0.091329471    14.946026272     0.000000000   1   0   0 # ao
    292      1   2  2.100000    -4.306810738    13.368815335     2.679766593   1   0   0 # st
    293      1   2  2.100000    -4.214145157    16.315754084     2.686199476   1   0   0 # st
    294      1   3 -1.050000    -4.499973302    13.443871244     1.061430252   1   0   0 # ob
    295      1   3 -1.050000    -4.060634318    16.188255104     1.064187192   1   0   0 # ob
    296      1   4 -0.950000    -1.500373785    15.156792301     0.993425143   1   0   0 # oh
    297      1   3 -1.050000    -2.825641874    16.872077205     3.298245183   1   0   0 # ob
    298      1   3 -1.050000    -4.512943274    14.851271831     3.293650032   1   0   0 # ob
    299      1   3 -1.050000    -5.381564758    17.356549220     3.055632561   1   0   0 # ob
    300      1   5  0.425000    -0.408823528    15.149933786     1.194847627   1   0   0 # ho
    301      1   1  1.575000    -2.474158949    16.434352904     0.000000000   1   0   0 # ao
    302      1   2  2.100000    -3.292353349     9.045741219    -2.679766593   1   0   0 # st
    303      1   2  2.100000    -3.328684169    15.064625091    -2.686199476   1   0   0 # st
    304      1   3 -1.050000    -3.268194698   -17.926784144    -1.061430252   1   1   0 # ob
    305      1   3 -1.050000    -3.482195007    15.192124071    -1.064187192   1   0   0 # ob
    306      1   4 -0.950000    -0.882455693    16.223586875    -0.993425143   1   0   0 # oh
    307      1   3 -1.050000     0.442812395    14.508301970    -3.298245183   1   0   0 # ob
    308      1   3 -1.050000    -3.029886052    16.529107344    -3.293650032   1   0   0 # ob
    309      1   3 -1.050000    -2.161264567    14.023829955    -3.055632561   1   0   0 # ob
    310      1   5  0.425000    -1.974005950    16.230445389    -1.194847627   1   0   0 # ho
    311      1   1  1.575000    -5.082326253    11.951441593     0.000000000   1   0   0 # ao
    312      1   2  2.100000    -0.684186044    13.528652530    -2.679766593   1   0   0 # st
    313      1   2  2.100000    -0.776851626    10.581713780    -2.686199476   1   0   0 # st
    314      1   3 -1.050000    -0.491023481    13.453596621    -1.061430252   1   0   0 # ob
    315      1   3 -1.050000    -0.930362465    10.709212761    -1.064187192   1   0   0 # ob
    316      1   4 -0.950000    -3.490622997    11.740675564    -0.993425143   1   0   0 # oh
    317      1   3 -1.050000    -2.165354909    10.025390659    -3.298245183   1   0   0 # ob
    318      1   3 -1.050000    -0.478053509    12.046196033    -3.293650032   1   0   0 # ob
    319      1   3 -1.050000     0.390567976     9.540918645    -3.055632561   1   0   0 # ob
    320      1   5  0.425000    -4.582173255    11.747534078    -1.194847627   1   0   0 # ho
    321      1   1  1.575000     2.474158711   -16.434354493     0.000000000   0   1   0 # ao
    322      1   2  2.100000     3.292353111    -9.045742808     2.679766593   0   1   0 # st
    323      1   2  2.100000     3.328683931   -15.064626680     2.686199476   0   1   0 # st
    324      1   3 -1.050000     3.042855785   -17.936509520     1.061430252   0   1   0 # ob
    325      1   3 -1.050000     3.482194769   -15.192125660     1.064187192   0   1   0 # ob
    326      1   4 -0.950000     0.882455455   -16.223588464     0.993425143   0   1   0 # oh
    327      1   3 -1.050000    -0.442812634   -14.508303559     3.298245183   0   1   0 # ob
    328      1   3 -1.050000     3.029885813   -16.529108933     3.293650032   0   1   0 # ob
    329      1   3 -1.050000     2.161264329   -14.023831544     3.055632561   0   1   0 # ob
    330      1   5  0.425000     1.974005712   -16.230446978     1.194847627   0   1   0 # ho
    331      1   1  1.575000     5.082326015   -11.951443182     0.000000000   0   1   0 # ao
    332      1   2  2.100000     0.684185806   -13.528654119     2.679766593   0   1   0 # st
    333      1   2  2.100000     0.776851388   -10.581715369     2.686199476   0   1   0 # st
    334      1   3 -1.050000     0.491023242   -13.453598210     1.061430252   0   1   0 # ob
    335      1   3 -1.050000     0.930362227   -10.709214349     1.064187192   0   1   0 # ob
    336      1   4 -0.950000     3.490622759   -11.740677153     0.993425143   0   1   0 # oh
    337      1   3 -1.050000     2.165354671   -10.025392248     3.298245183   0   1   0 # ob
    338      1   3 -1.050000     0.478053271   -12.046197622     3.293650032   0   1   0 # ob
    339      1   3 -1.050000    -0.390568214    -9.540920234     3.055632561   0   1   0 # ob
    340      1   5  0.425000     4.582173017   -11.747535667     1.194847627   0   1   0 # ho
    341      1   1  1.575000     2.516837596   -10.463116550     0.000000000   0   1   0 # ao
    342      1   2  2.100000     1.698643196   -17.851728235    -2.679766593   0   1   0 # st
    343      1   2  2.100000     1.662312376   -11.832844363    -2.686199476   0   1   0 # st
    344      1   3 -1.050000     1.948140521    -8.960961522    -1.061430252   0   1   0 # ob
    345      1   3 -1.050000     1.508801537   -11.705345382    -1.064187192   0   1   0 # ob
    346      1   4 -0.950000     4.108540852   -10.673882579    -0.993425143   0   1   0 # oh
    347      1   3 -1.050000     5.433808940   -12.389167484    -3.298245183   0   1   0 # ob
    348      1   3 -1.050000     1.961110493   -10.368362109    -3.293650032   0   1   0 # ob
    349      1   3 -1.050000     2.829731977   -12.873639498    -3.055632561   0   1   0 # ob
    350      1   5  0.425000     3.016990594   -10.667024064    -1.194847627   0   1   0 # ho
    351      1   1  1.575000    -0.091329709   -14.946027861     0.000000000   0   1   0 # ao
    352      1   2  2.100000     4.306810500   -13.368816924    -2.679766593   0   1   0 # st
    353      1   2  2.100000     4.214144919   -16.315755673    -2.686199476   0   1   0 # st
    354      1   3 -1.050000     4.499973064   -13.443872833    -1.061430252   0   1   0 # ob
    355      1   3 -1.050000     4.060634080   -16.188256693    -1.064187192   0   1   0 # ob
    356      1   4 -0.950000     1.500373547   -15.156793890    -0.993425143   0   1   0 # oh
    357      1   3 -1.050000     2.825641635   -16.872078794    -3.298245183   0   1   0 # ob
    358      1   3 -1.050000     4.512943036   -14.851273420    -3.293650032   0   1   0 # ob
    359      1   3 -1.050000     5.381564520   -17.356550809    -3.055632561   0   1   0 # ob
    360      1   5  0.425000     0.408823289   -15.149935375    -1.194847627   0   1   0 # ho
    361      1   1  1.575000     7.634158558   -16.434354493     0.000000000   0   1   0 # ao
    362      1   2  2.100000   -12.187647042    -9.045742808     2.679766593   1   1   0 # st
    363      1   2  2.100000   -12.151316222   -15.064626680     2.686199476   1   1   0 # st
    364      1   3 -1.050000     8.202855633   -17.936509520     1.061430252   0   1   0 # ob
    365      1   3 -1.050000   -11.997805383   -15.192125660     1.064187192   1   1   0 # ob
    366      1   4 -0.950000     6.042455302   -16.223588464     0.993425143   0   1   0 # oh
    367      1   3 -1.050000     4.717187214   -14.508303559     3.298245183   0   1   0 # ob
    368      1   3 -1.050000   -12.450114339   -16.529108933     3.293650032   1   1   0 # ob
    369      1   3 -1.050000     7.321264176   -14.023831544     3.055632561   0   1   0 # ob
    370      1   5  0.425000     7.134005560   -16.230446978     1.194847627   0   1   0 # ho
    371      1   1  1.575000   -10.397674137   -11.951443182     0.000000000   1   1   0 # ao
    372      1   2  2.100000     5.844185654   -13.528654119     2.679766593   0   1   0 # st
    373      1   2  2.100000     5.936851235   -10.581715369     2.686199476   0   1   0 # st
    374      1   3 -1.050000     5.651023090   -13.453598210     1.061430252   0   1   0 # ob
    375      1   3 -1.050000     6.090362074   -10.709214349     1.064187192   0   1   0 # ob
    376      1   4 -0.950000   -11.989377393   -11.740677153     0.993425143   1   1   0 # oh
    377      1   3 -1.050000     7.325354518   -10.025392248     3.298245183   0   1   0 # ob
    378      1   3 -1.050000     5.638053118   -12.046197622     3.293650032   0   1   0 # ob
    379      1   3 -1.050000     4.769431634    -9.540920234     3.055632561   0   1   0 # ob
    380      1   5  0.425000   -10.897827136   -11.747535667     1.194847627   1   1   0 # ho
    381      1   1  1.575000     7.676837443   -10.463116550     0.000000000   0   1   0 # ao
    382      1   2  2.100000     6.858643043   -17.851728235    -2.679766593   0   1   0 # st
    383      1   2  2.100000     6.822312223   -11.832844363    -2.686199476   0   1   0 # st
    384      1   3 -1.050000     7.108140369    -8.960961522    -1.061430252   0   1   0 # ob
    385      1   3 -1.050000     6.668801385   -11.705345382    -1.064187192   0   1   0 # ob
    386      1   4 -0.950000   -11.371459301   -10.673882579    -0.993425143   1   1   0 # oh
    387      1   3 -1.050000   -10.046191213   -12.389167484    -3.298245183   1   1   0 # ob
    388      1   3 -1.050000     7.121110340   -10.368362109    -3.293650032   0   1   0 # ob
    389      1   3 -1.050000     7.989731825   -12.873639498    -3.055632561   0   1   0 # ob
    390      1   5  0.425000     8.176990442   -10.667024064    -1.194847627   0   1   0 # ho
    391      1   1  1.575000     5.068670139   -14.946027861     0.000000000   0   1   0 # ao
    392      1   2  2.100000   -11.173189652   -13.368816924    -2.679766593   1   1   0 # st
    393      1   2  2.100000   -11.265855234   -16.315755673    -2.686199476   1   1   0 # st
    394      1   3 -1.050000   -10.980027089   -13.443872833    -1.061430252   1   1   0 # ob
    395      1   3 -1.050000   -11.419366073   -16.188256693    -1.064187192   1   1   0 # ob
    396      1   4 -0.950000     6.660373395   -15.156793890    -0.993425143   0   1   0 # oh
    397      1   3 -1.050000     7.985641483   -16.872078794    -3.298245183   0   1   0 # ob
    398      1   3 -1.050000   -10.967057117   -14.851273420    -3.293650032   1   1   0 # ob
    399      1   3 -1.050000   -10.098435632   -17.356550809    -3.055632561   1   1   0 # ob
    400      1   5  0.425000     5.568823137   -15.149935375    -1.194847627   0   1   0 # ho
    401      1   1  1.575000    -7.845841595   -16.434354493     0.000000000   1   1   0 # ao
    402      1   2  2.100000    -7.027647194    -9.045742808     2.679766593   1   1   0 # st
    403      1   2  2.100000    -6.991316374   -15.064626680     2.686199476   1   1   0 # st
    404      1   3 -1.050000    -7.277144520   -17.936509520     1.061430252   1   1   0 # ob
    405      1   3 -1.050000    -6.837805536   -15.192125660     1.064187192   1   1   0 # ob
    406      1   4 -0.950000    -9.437544850   -16.223588464     0.993425143   1   1   0 # oh
    407      1   3 -1.050000   -10.762812939   -14.508303559     3.298245183   1   1   0 # ob
    408      1   3 -1.050000    -7.290114492   -16.529108933     3.293650032   1   1   0 # ob
    409      1   3 -1.050000    -8.158735976   -14.023831544     3.055632561   1   1   0 # ob
    410      1   5  0.425000    -8.345994593   -16.230446978     1.194847627   1   1   0 # ho
    411      1   1  1.575000    -5.237674290   -11.951443182     0.000000000   1   1   0 # ao
    412      1   2  2.100000    -9.635814499   -13.528654119     2.679766593   1   1   0 # st
    413      1   2  2.100000    -9.543148917   -10.581715369     2.686199476   1   1   0 # st
    414      1   3 -1.050000    -9.828977063   -13.453598210     1.061430252   1   1   0 # ob
    415      1   3 -1.050000    -9.389638079   -10.709214349     1.064187192   1   1   0 # ob
    416      1   4 -0.950000    -6.829377546   -11.740677153     0.993425143   1   1   0 # oh
    417      1   3 -1.050000    -8.154645634   -10.025392248     3.298245183   1   1   0 # ob
    418      1   3 -1.050000    -9.841947035   -12.046197622     3.293650032   1   1   0 # ob
    419      1   3 -1.050000   -10.710568519    -9.540920234     3.055632561   1   1   0 # ob
    420      1   5  0.425000    -5.737827288   -11.747535667     1.194847627   1   1   0 # ho
    421      1   1  1.575000    -7.803162709   -10.463116550     0.000000000   1   1   0 # ao
    422      1   2  2.100000    -8.621357110   -17.851728235    -2.679766593   1   1   0 # st
    423      1   2  2.100000    -8.657687929   -11.832844363    -2.686199476   1   1   0 # st
    424      1   3 -1.050000    -8.371859784    -8.960961522    -1.061430252   1   1   0 # ob
    425      1   3 -1.050000    -8.811198768   -11.705345382    -1.064187192   1   1   0 # ob
    426      1   4 -0.950000    -6.211459453   -10.673882579    -0.993425143   1   1   0 # oh
    427      1   3 -1.050000    -4.886191365   -12.389167484    -3.298245183   1   1   0 # ob
    428      1   3 -1.050000    -8.358889812   -10.368362109    -3.293650032   1   1   0 # ob
    429      1   3 -1.050000    -7.490268328   -12.873639498    -3.055632561   1   1   0 # ob
    430      1   5  0.425000    -7.303009711   -10.667024064    -1.194847627   1   1   0 # ho
    431      1   1  1.575000   -10.411330014   -14.946027861     0.000000000   1   1   0 # ao
    432      1   2  2.100000    -6.013189805   -13.368816924    -2.679766593   1   1   0 # st
    433      1   2  2.100000    -6.105855387   -16.315755673    -2.686199476   1   1   0 # st
    434      1   3 -1.050000    -5.820027241   -13.443872833    -1.061430252   1   1   0 # ob
    435      1   3 -1.050000    -6.259366225   -16.188256693    -1.064187192   1   1   0 # ob
    436      1   4 -0.950000    -8.819626758   -15.156793890    -0.993425143   1   1   0 # oh
    437      1   3 -1.050000    -7.494358670   -16.872078794    -3.298245183   1   1   0 # ob
    438      1   3 -1.050000    -5.807057269   -14.851273420    -3.293650032   1   1   0 # ob
    439      1   3 -1.050000    -4.938435785   -17.356550809    -3.055632561   1   1   0 # ob
    440      1   5  0.425000    -9.911177016   -15.149935375    -1.194847627   1   1   0 # ho
    441      1   1  1.575000    -2.685841747   -16.434354493     0.000000000   1   1   0 # ao
    442      1   2  2.100000    -1.867647347    -9.045742808     2.679766593   1   1   0 # st
    443      1   2  2.100000    -1.831316527   -15.064626680     2.686199476   1   1   0 # st
    444      1   3 -1.050000    -2.117144673   -17.936509520     1.061430252   1   1   0 # ob
    445      1   3 -1.050000    -1.677805688   -15.192125660     1.064187192   1   1   0 # ob
    446      1   4 -0.950000    -4.277545003   -16.223588464     0.993425143   1   1   0 # oh
    447      1   3 -1.050000    -5.602813091   -14.508303559     3.298245183   1   1   0 # ob
    448      1   3 -1.050000    -2.130114644   -16.529108933     3.293650032   1   1   0 # ob
    449      1   3 -1.050000    -2.998736129   -14.023831544     3.055632561   1   1   0 # ob
    450      1   5  0.425000    -3.185994745   -16.230446978     1.194847627   1   1   0 # ho
    451      1   1  1.575000    -0.077674443   -11.951443182     0.000000000   1   1   0 # ao
    452      1   2  2.100000    -4.475814651   -13.528654119     2.679766593   1   1   0 # st
    453      1   2  2.100000    -4.383149070   -10.581715369     2.686199476   1   1   0 # st
    454      1   3 -1.050000    -4.668977215   -13.453598210     1.061430252   1   1   0 # ob
    455      1   3 -1.050000    -4.229638231   -10.709214349     1.064187192   1   1   0 # ob
    456      1   4 -0.950000    -1.669377698   -11.740677153     0.993425143   1   1   0 # oh
    457      1   3 -1.050000    -2.994645787   -10.025392248     3.298245183   1   1   0 # ob
    458      1   3 -1.050000    -4.681947187   -12.046197622     3.293650032   1   1   0 # ob
    459      1   3 -1.050000    -5.550568672    -9.540920234     3.055632561   1   1   0 # ob
    460      1   5  0.425000    -0.577827441   -11.747535667     1.194847627   1   1   0 # ho
    461      1   1  1.575000    -2.643162862   -10.463116550     0.000000000   1   1   0 # ao
    462      1   2  2.100000    -3.461357262   -17.851728235    -2.679766593   1   1   0 # st
    463      1   2  2.100000    -3.497688082   -11.832844363    -2.686199476   1   1   0 # st
    464      1   3 -1.050000    -3.211859937    -8.960961522    -1.061430252   1   1   0 # ob
    465      1   3 -1.050000    -3.651198921   -11.705345382    -1.064187192   1   1   0 # ob
    466      1   4 -0.950000    -1.051459606   -10.673882579    -0.993425143   1   1   0 # oh
    467      1   3 -1.050000     0.273808482   -12.389167484    -3.298245183   1   1   0 # ob
    468      1   3 -1.050000    -3.198889965   -10.368362109    -3.293650032   1   1   0 # ob
    469      1   3 -1.050000    -2.330268480   -12.873639498    -3.055632561   1   1   0 # ob
    470      1   5  0.425000    -2.143009864   -10.667024064    -1.194847627   1   1   0 # ho
    471      1   1  1.575000    -5.251330167   -14.946027861     0.000000000   1   1   0 # ao
    472      1   2  2.100000    -0.853189958   -13.368816924    -2.679766593   1   1   0 # st
    473      1   2  2.100000    -0.945855539   -16.315755673    -2.686199476   1   1   0 # st
    474      1   3 -1.050000    -0.660027394   -13.443872833    -1.061430252   1   1   0 # ob
    475      1   3 -1.050000    -1.099366378   -16.188256693    -1.064187192   1   1   0 # ob
    476      1   4 -0.950000    -3.659626911   -15.156793890    -0.993425143   1   1   0 # oh
    477      1   3 -1.050000    -2.334358822   -16.872078794    -3.298245183   1   1   0 # ob
    478      1   3 -1.050000    -0.647057422   -14.851273420    -3.293650032   1   1   0 # ob
    479      1   3 -1.050000     0.221564062   -17.356550809    -3.055632561   1   1   0 # ob
    480      1   5  0.425000    -4.751177168   -15.149935375    -1.194847627   1   1   0 # ho
    481      1   1  1.575000     2.530493472    -7.468531871     0.000000000   0   1   0 # ao
    482      1   2  2.100000     3.348687873    -0.079920186     2.679766593   0   1   0 # st
    483      1   2  2.100000     3.385018693    -6.098804058     2.686199476   0   1   0 # st
    484      1   3 -1.050000     3.099190547    -8.970686899     1.061430252   0   1   0 # ob
    485      1   3 -1.050000     3.538529531    -6.226303039     1.064187192   0   1   0 # ob
    486      1   4 -0.950000     0.938790217    -7.257765842     0.993425143   0   1   0 # oh
    487      1   3 -1.050000    -0.386477872    -5.542480937     3.298245183   0   1   0 # ob
    488      1   3 -1.050000     3.086220575    -7.563286311     3.293650032   0   1   0 # ob
    489      1   3 -1.050000     2.217599091    -5.058008923     3.055632561   0   1   0 # ob
    490      1   5  0.425000     2.030340474    -7.264624356     1.194847627   0   1   0 # ho
    491      1   1  1.575000     5.138660777    -2.985620560     0.000000000   0   1   0 # ao
    492      1   2  2.100000     0.740520568    -4.562831497     2.679766593   0   1   0 # st
    493      1   2  2.100000     0.833186150    -1.615892747     2.686199476   0   1   0 # st
    494      1   3 -1.050000     0.547358004    -4.487775588     1.061430252   0   1   0 # ob
    495      1   3 -1.050000     0.986696988    -1.743391728     1.064187192   0   1   0 # ob
    496      1   4 -0.950000     3.546957521    -2.774854531     0.993425143   0   1   0 # oh
    497      1   3 -1.050000     2.221689433    -1.059569627     3.298245183   0   1   0 # ob
    498      1   3 -1.050000     0.534388032    -3.080375001     3.293650032   0   1   0 # ob
    499      1   3 -1.050000    -0.334233452    -0.575097612     3.055632561   0   1   0 # ob
    500      1   5  0.425000     4.638507779    -2.781713046     1.194847627   0   1   0 # ho
    501      1   1  1.575000     2.573172358    -1.497293928     0.000000000   0   1   0 # ao
    502      1   2  2.100000     1.754977957    -8.885905613    -2.679766593   0   1   0 # st
    503      1   2  2.100000     1.718647138    -2.867021741    -2.686199476   0   1   0 # st
    504      1   3 -1.050000     2.004475283     0.004861099    -1.061430252   0   1   0 # ob
    505      1   3 -1.050000     1.565136299    -2.739522761    -1.064187192   0   1   0 # ob
    506      1   4 -0.950000     4.164875614    -1.708059957    -0.993425143   0   1   0 # oh
    507      1   3 -1.050000     5.490143702    -3.423344862    -3.298245183   0   1   0 # ob
    508      1   3 -1.050000     2.017445255    -1.402539488    -3.293650032   0   1   0 # ob
    509      1   3 -1.050000     2.886066739    -3.907816877    -3.055632561   0   1   0 # ob
    510      1   5  0.425000     3.073325356    -1.701201443    -1.194847627   0   1   0 # ho
    511      1   1  1.575000    -0.034994947    -5.980205239     0.000000000   0   1   0 # ao
    512      1   2  2.100000     4.363145262    -4.402994302    -2.679766593   0   1   0 # st
    513      1   2  2.100000     4.270479680    -7.349933052    -2.686199476   0   1   0 # st
    514      1   3 -1.050000     4.556307826    -4.478050211    -1.061430252   0   1   0 # ob
    515      1   3 -1.050000     4.116968842    -7.222434071    -1.064187192   0   1   0 # ob
    516      1   4 -0.950000     1.556708309    -6.190971268    -0.993425143   0   1   0 # oh
    517      1   3 -1.050000     2.881976397    -7.906256173    -3.298245183   0   1   0 # ob
    518      1   3 -1.050000     4.569277798    -5.885450799    -3.293650032   0   1   0 # ob
    519      1   3 -1.050000     5.437899282    -8.390728187    -3.055632561   0   1   0 # ob
    520      1   5  0.425000     0.465158051    -6.184112754    -1.194847627   0   1   0 # ho
    521      1   1  1.575000     7.690493320    -7.468531871     0.000000000   0   1   0 # ao
    522      1   2  2.100000   -12.131312280    -0.079920186     2.679766593   1   1   0 # st
    523      1   2  2.100000   -12.094981460    -6.098804058     2.686199476   1   1   0 # st
    524      1   3 -1.050000     8.259190394    -8.970686899     1.061430252   0   1   0 # ob
    525      1   3 -1.050000   -11.941470621    -6.226303039     1.064187192   1   1   0 # ob
    526      1   4 -0.950000     6.098790064    -7.257765842     0.993425143   0   1   0 # oh
    527      1   3 -1.050000     4.773521976    -5.542480937     3.298245183   0   1   0 # ob
    528      1   3 -1.050000   -12.393779577    -7.563286311     3.293650032   1   1   0 # ob
    529      1   3 -1.050000     7.377598938    -5.058008923     3.055632561   0   1   0 # ob
    530      1   5  0.425000     7.190340322    -7.264624356     1.194847627   0   1   0 # ho
    531      1   1  1.575000   -10.341339376    -2.985620560     0.000000000   1   1   0 # ao
    532      1   2  2.100000     5.900520415    -4.562831497     2.679766593   0   1   0 # st
    533      1   2  2.100000     5.993185997    -1.615892747     2.686199476   0   1   0 # st
    534      1   3 -1.050000     5.707357852    -4.487775588     1.061430252   0   1   0 # ob
    535      1   3 -1.050000     6.146696836    -1.743391728     1.064187192   0   1   0 # ob
    536      1   4 -0.950000   -11.933042631    -2.774854531     0.993425143   1   1   0 # oh
    537      1   3 -1.050000     7.381689280    -1.059569627     3.298245183   0   1   0 # ob
    538      1   3 -1.050000     5.694387880    -3.080375001     3.293650032   0   1   0 # ob
    539      1   3 -1.050000     4.825766395    -0.575097612     3.055632561   0   1   0 # ob
    540      1   5  0.425000   -10.841492374    -2.781713046     1.194847627   1   1   0 # ho
    541      1   1  1.575000     7.733172205    -1.497293928     0.000000000   0   1   0 # ao
    542      1   2  2.100000     6.914977805    -8.885905613    -2.679766593   0   1   0 # st
    543      1   2  2.100000     6.878646985    -2.867021741    -2.686199476   0   1   0 # st
    544      1   3 -1.050000     7.164475130     0.004861099    -1.061430252   0   1   0 # ob
    545      1   3 -1.050000     6.725136146    -2.739522761    -1.064187192   0   1   0 # ob
    546      1   4 -0.950000   -11.315124539    -1.708059957    -0.993425143   1   1   0 # oh
    547      1   3 -1.050000    -9.989856451    -3.423344862    -3.298245183   1   1   0 # ob
    548      1   3 -1.050000     7.177445102    -1.402539488    -3.293650032   0   1   0 # ob
    549      1   3 -1.050000     8.046066587    -3.907816877    -3.055632561   0   1   0 # ob
    550      1   5  0.425000     8.233325203    -1.701201443    -1.194847627   0   1   0 # ho
    551      1   1  1.575000     5.125004900    -5.980205239     0.000000000   0   1   0 # ao
    552      1   2  2.100000   -11.116854891    -4.402994302    -2.679766593   1   1   0 # st
    553      1   2  2.100000   -11.209520472    -7.349933052    -2.686199476   1   1   0 # st
    554      1   3 -1.050000   -10.923692327    -4.478050211    -1.061430252   1   1   0 # ob
    555      1   3 -1.050000   -11.363031311    -7.222434071    -1.064187192   1   1   0 # ob
    556      1   4 -0.950000     6.716708156    -6.190971268    -0.993425143   0   1   0 # oh
    557      1   3 -1.050000     8.041976245    -7.906256173    -3.298245183   0   1   0 # ob
    558      1   3 -1.050000   -10.910722355    -5.885450799    -3.293650032   1   1   0 # ob
    559      1   3 -1.050000   -10.042100871    -8.390728187    -3.055632561   1   1   0 # ob
    560      1   5  0.425000     5.625157899    -6.184112754    -1.194847627   0   1   0 # ho
    561      1   1  1.575000    -7.789506833    -7.468531871     0.000000000   1   1   0 # ao
    562      1   2  2.100000    -6.971312432    -0.079920186     2.679766593   1   1   0 # st
    563      1   2  2.100000    -6.934981613    -6.098804058     2.686199476   1   1   0 # st
    564      1   3 -1.050000    -7.220809758    -8.970686899     1.061430252   1   1   0 # ob
    565      1   3 -1.050000    -6.781470774    -6.226303039     1.064187192   1   1   0 # ob
    566      1   4 -0.950000    -9.381210089    -7.257765842     0.993425143   1   1   0 # oh
    567      1   3 -1.050000   -10.706478177    -5.542480937     3.298245183   1   1   0 # ob
    568      1   3 -1.050000    -7.233779730    -7.563286311     3.293650032   1   1   0 # ob
    569      1   3 -1.050000    -8.102401214    -5.058008923     3.055632561   1   1   0 # ob
    570      1   5  0.425000    -8.289659831    -7.264624356     1.194847627   1   1   0 # ho
    571      1   1  1.575000    -5.181339528    -2.985620560     0.000000000   1   1   0 # ao
    572      1   2  2.100000    -9.579479737    -4.562831497     2.679766593   1   1   0 # st
    573      1   2  2.100000    -9.486814155    -1.615892747     2.686199476   1   1   0 # st
    574      1   3 -1.050000    -9.772642301    -4.487775588     1.061430252   1   1   0 # ob
    575      1   3 -1.050000    -9.333303317    -1.743391728     1.064187192   1   1   0 # ob
    576      1   4 -0.950000    -6.773042784    -2.774854531     0.993425143   1   1   0 # oh
    577      1   3 -1.050000    -8.098310872    -1.059569627     3.298245183   1   1   0 # ob
    578      1   3 -1.050000    -9.785612273    -3.080375001     3.293650032   1   1   0 # ob
    579      1   3 -1.050000   -10.654233757    -0.575097612     3.055632561   1   1   0 # ob
    580      1   5  0.425000    -5.681492526    -2.781713046     1.194847627   1   1   0 # ho
    581      1   1  1.575000    -7.746827947    -1.497293928     0.000000000   1   1   0 # ao
    582      1   2  2.100000    -8.565022348    -8.885905613    -2.679766593   1   1   0 # st
    583      1   2  2.100000    -8.601353168    -2.867021741    -2.686199476   1   1   0 # st
    584      1   3 -1.050000    -8.315525022     0.004861099    -1.061430252   1   1   0 # ob
    585      1   3 -1.050000    -8.754864006    -2.739522761    -1.064187192   1   1   0 # ob
    586      1   4 -0.950000    -6.155124692    -1.708059957    -0.993425143   1   1   0 # oh
    587      1   3 -1.050000    -4.829856603    -3.423344862    -3.298245183   1   1   0 # ob
    588      1   3 -1.050000    -8.302555050    -1.402539488    -3.293650032   1   1   0 # ob
    589      1   3 -1.050000    -7.433933566    -3.907816877    -3.055632561   1   1   0 # ob
    590      1   5  0.425000    -7.246674949    -1.701201443    -1.194847627   1   1   0 # ho
    591      1   1  1.575000   -10.354995252    -5.980205239     0.000000000   1   1   0 # ao
    592      1   2  2.100000    -5.956855043    -4.402994302    -2.679766593   1   1   0 # st
    593      1   2  2.100000    -6.049520625    -7.349933052    -2.686199476   1   1   0 # st
    594      1   3 -1.050000    -5.763692479    -4.478050211    -1.061430252   1   1   0 # ob
    595      1   3 -1.050000    -6.203031463    -7.222434071    -1.064187192   1   1   0 # ob
    596      1   4 -0.950000    -8.763291996    -6.190971268    -0.993425143   1   1   0 # oh
    597      1   3 -1.050000    -7.438023908    -7.906256173    -3.298245183   1   1   0 # ob
    598      1   3 -1.050000    -5.750722507    -5.885450799    -3.293650032   1   1   0 # ob
    599      1   3 -1.050000    -4.882101023    -8.390728187    -3.055632561   1   1   0 # ob
    600      1   5  0.425000    -9.854842254    -6.184112754    -1.194847627   1   1   0 # ho
    601      1   1  1.575000    -2.629506985    -7.468531871     0.000000000   1   1   0 # ao
    602      1   2  2.100000    -1.811312585    -0.079920186     2.679766593   1   1   0 # st
    603      1   2  2.100000    -1.774981765    -6.098804058     2.686199476   1   1   0 # st
    604      1   3 -1.050000    -2.060809911    -8.970686899     1.061430252   1   1   0 # ob
    605      1   3 -1.050000    -1.621470927    -6.226303039     1.064187192   1   1   0 # ob
    606      1   4 -0.950000    -4.221210241    -7.257765842     0.993425143   1   1   0 # oh
    607      1   3 -1.050000    -5.546478330    -5.542480937     3.298245183   1   1   0 # ob
    608      1   3 -1.050000    -2.073779883    -7.563286311     3.293650032   1   1   0 # ob
    609      1   3 -1.050000    -2.942401367    -5.058008923     3.055632561   1   1   0 # ob
    610      1   5  0.425000    -3.129659984    -7.264624356     1.194847627   1   1   0 # ho
    611      1   1  1.575000    -0.021339681    -2.985620560     0.000000000   1   1   0 # ao
    612      1   2  2.100000    -4.419479890    -4.562831497     2.679766593   1   1   0 # st
    613      1   2  2.100000    -4.326814308    -1.615892747     2.686199476   1   1   0 # st
    614      1   3 -1.050000    -4.612642454    -4.487775588     1.061430252   1   1   0 # ob
    615      1   3 -1.050000    -4.173303469    -1.743391728     1.064187192   1   1   0 # ob
    616      1   4 -0.950000    -1.613042937    -2.774854531     0.993425143   1   1   0 # oh
    617      1   3 -1.050000    -2.938311025    -1.059569627     3.298245183   1   1   0 # ob
    618      1   3 -1.050000    -4.625612425    -3.080375001     3.293650032   1   1   0 # ob
    619      1   3 -1.050000    -5.494233910    -0.575097612     3.055632561   1   1   0 # ob
    620      1   5  0.425000    -0.521492679    -2.781713046     1.194847627   1   1   0 # ho
    621      1   1  1.575000    -2.586828100    -1.497293928     0.000000000   1   1   0 # ao
    622      1   2  2.100000    -3.405022500    -8.885905613    -2.679766593   1   1   0 # st
    623      1   2  2.100000    -3.441353320    -2.867021741    -2.686199476   1   1   0 # st
    624      1   3 -1.050000    -3.155525175     0.004861099    -1.061430252   1   1   0 # ob
    625      1   3 -1.050000    -3.594864159    -2.739522761    -1.064187192   1   1   0 # ob
    626      1   4 -0.950000    -0.995124844    -1.708059957    -0.993425143   1   1   0 # oh
    627      1   3 -1.050000     0.330143244    -3.423344862    -3.298245183   1   1   0 # ob
    628      1   3 -1.050000    -3.142555203    -1.402539488    -3.293650032   1   1   0 # ob
    629      1   3 -1.050000    -2.273933719    -3.907816877    -3.055632561   1   1   0 # ob
    630      1   5  0.425000    -2.086675102    -1.701201443    -1.194847627   1   1   0 # ho
    631      1   1  1.575000    -5.194995405    -5.980205239     0.000000000   1   1   0 # ao
    632      1   2  2.100000    -0.796855196    -4.402994302    -2.679766593   1   1   0 # st
    633      1   2  2.100000    -0.889520777    -7.349933052    -2.686199476   1   1   0 # st
    634      1   3 -1.050000    -0.603692632    -4.478050211    -1.061430252   1   1   0 # ob
    635      1   3 -1.050000    -1.043031616    -7.222434071    -1.064187192   1   1   0 # ob
    636      1   4 -0.950000    -3.603292149    -6.190971268    -0.993425143   1   1   0 # oh
    637      1   3 -1.050000    -2.278024061    -7.906256173    -3.298245183   1   1   0 # ob
    638      1   3 -1.050000    -0.590722660    -5.885450799    -3.293650032   1   1   0 # ob
    639      1   3 -1.050000     0.277898824    -8.390728187    -3.055632561   1   1   0 # ob
    640      1   5  0.425000    -4.694842406    -6.184112754    -1.194847627   1   1   0 # ho
    641      1   1  1.575000     0.889889112     1.315464043     9.189872068   0   0   0 # ao
    642      1   2  2.100000     5.101961261     9.067732250    -6.523590700   0   0   1 # st
    643      1   2  2.100000     5.138292081     3.048848378    -6.517157818   0   0   1 # st
    644      1   3 -1.050000     4.852463935     0.176965538    -8.141927041   0   0   1 # ob
    645      1   3 -1.050000     5.291802919     2.921349398    -8.139170101   0   0   1 # ob
    646      1   4 -0.950000     2.692063605     1.889886595    -8.209932150   0   0   1 # oh
    647      1   3 -1.050000     1.366795516     3.605171499    -5.905112111   0   0   1 # ob
    648      1   3 -1.050000     4.839493963     1.584366125    -5.909707262   0   0   1 # ob
    649      1   3 -1.050000     3.970872479     4.089643514    -6.147724732   0   0   1 # ob
    650      1   5  0.425000     3.783613862     1.883028080    -8.008509666   0   0   1 # ho
    651      1   1  1.575000     3.498056417     5.798375353     9.189872068   0   0   0 # ao
    652      1   2  2.100000     2.493793956     4.584820940    -6.523590700   0   0   1 # st
    653      1   2  2.100000     2.586459538     7.531759689    -6.517157818   0   0   1 # st
    654      1   3 -1.050000     2.300631392     4.659876849    -8.141927041   0   0   1 # ob
    655      1   3 -1.050000     2.739970376     7.404260709    -8.139170101   0   0   1 # ob
    656      1   4 -0.950000     5.300230909     6.372797905    -8.209932150   0   0   1 # oh
    657      1   3 -1.050000     3.974962821     8.088082810    -5.905112111   0   0   1 # ob
    658      1   3 -1.050000     2.287661420     6.067277436    -5.909707262   0   0   1 # ob
    659      1   3 -1.050000     1.419039936     8.572554825    -6.147724732   0   0   1 # ob
    660      1   5  0.425000     6.391781167     6.365939391    -8.008509666   0   0   1 # ho
    661      1   1  1.575000     0.932567998     7.286701985     9.189872068   0   0   0 # ao
    662      1   2  2.100000     0.114373597    -0.101909699     6.510105475   0   0   0 # st
    663      1   2  2.100000     0.078042778     5.916974173     6.503672592   0   0   0 # st
    664      1   3 -1.050000     0.363870923     8.788857013     8.128441816   0   0   0 # ob
    665      1   3 -1.050000    -0.075468061     6.044473153     8.125684876   0   0   0 # ob
    666      1   4 -0.950000     2.524271254     7.075935956     8.196446925   0   0   0 # oh
    667      1   3 -1.050000     3.849539342     5.360651052     5.891626886   0   0   0 # ob
    668      1   3 -1.050000     0.376840895     7.381456426     5.896222036   0   0   0 # ob
    669      1   3 -1.050000     1.245462379     4.876179037     6.134239507   0   0   0 # ob
    670      1   5  0.425000     1.432720996     7.082794471     7.995024441   0   0   0 # ho
    671      1   1  1.575000    -1.675599307     2.803790675     9.189872068   0   0   0 # ao
    672      1   2  2.100000     2.722540902     4.381001611     6.510105475   0   0   0 # st
    673      1   2  2.100000     2.629875320     1.434062862     6.503672592   0   0   0 # st
    674      1   3 -1.050000     2.915703466     4.305945702     8.128441816   0   0   0 # ob
    675      1   3 -1.050000     2.476364482     1.561561842     8.125684876   0   0   0 # ob
    676      1   4 -0.950000    -0.083896051     2.593024646     8.196446925   0   0   0 # oh
    677      1   3 -1.050000     1.241372037     0.877739741     5.891626886   0   0   0 # ob
    678      1   3 -1.050000     2.928673438     2.898545115     5.896222036   0   0   0 # ob
    679      1   3 -1.050000     3.797294922     0.393267726     6.134239507   0   0   0 # ob
    680      1   5  0.425000    -1.175446309     2.599883160     7.995024441   0   0   0 # ho
    681      1   1  1.575000     6.049888960     1.315464043     9.189872068   0   0   0 # ao
    682      1   2  2.100000   -10.378038892     9.067732250    -6.523590700   1   0   1 # st
    683      1   2  2.100000   -10.341708072     3.048848378    -6.517157818   1   0   1 # st
    684      1   3 -1.050000    10.012463782     0.176965538    -8.141927041   0   0   1 # ob
    685      1   3 -1.050000   -10.188197233     2.921349398    -8.139170101   1   0   1 # ob
    686      1   4 -0.950000     7.852063452     1.889886595    -8.209932150   0   0   1 # oh
    687      1   3 -1.050000     6.526795364     3.605171499    -5.905112111   0   0   1 # ob
    688      1   3 -1.050000   -10.640506189     1.584366125    -5.909707262   1   0   1 # ob
    689      1   3 -1.050000     9.130872326     4.089643514    -6.147724732   0   0   1 # ob
    690      1   5  0.425000     8.943613710     1.883028080    -8.008509666   0   0   1 # ho
    691      1   1  1.575000   -11.981943736     5.798375353     9.189872068   1   0   0 # ao
    692      1   2  2.100000     7.653793804     4.584820940    -6.523590700   0   0   1 # st
    693      1   2  2.100000     7.746459385     7.531759689    -6.517157818   0   0   1 # st
    694      1   3 -1.050000     7.460631240     4.659876849    -8.141927041   0   0   1 # ob
    695      1   3 -1.050000     7.899970224     7.404260709    -8.139170101   0   0   1 # ob
    696      1   4 -0.950000   -10.179769243     6.372797905    -8.209932150   1   0   1 # oh
    697      1   3 -1.050000     9.134962668     8.088082810    -5.905112111   0   0   1 # ob
    698      1   3 -1.050000     7.447661268     6.067277436    -5.909707262   0   0   1 # ob
    699      1   3 -1.050000     6.579039784     8.572554825    -6.147724732   0   0   1 # ob
    700      1   5  0.425000    -9.088218986     6.365939391    -8.008509666   1   0   1 # ho
    701      1   1  1.575000     6.092567845     7.286701985     9.189872068   0   0   0 # ao
    702      1   2  2.100000     5.274373445    -0.101909699     6.510105475   0   0   0 # st
    703      1   2  2.100000     5.238042625     5.916974173     6.503672592   0   0   0 # st
    704      1   3 -1.050000     5.523870771     8.788857013     8.128441816   0   0   0 # ob
    705      1   3 -1.050000     5.084531786     6.044473153     8.125684876   0   0   0 # ob
    706      1   4 -0.950000   -12.955728899     7.075935956     8.196446925   1   0   0 # oh
    707      1   3 -1.050000   -11.630460811     5.360651052     5.891626886   1   0   0 # ob
    708      1   3 -1.050000     5.536840742     7.381456426     5.896222036   0   0   0 # ob
    709      1   3 -1.050000     6.405462227     4.876179037     6.134239507   0   0   0 # ob
    710      1   5  0.425000     6.592720843     7.082794471     7.995024441   0   0   0 # ho
    711      1   1  1.575000     3.484400541     2.803790675     9.189872068   0   0   0 # ao
    712      1   2  2.100000   -12.757459251     4.381001611     6.510105475   1   0   0 # st
    713      1   2  2.100000   -12.850124832     1.434062862     6.503672592   1   0   0 # st
    714      1   3 -1.050000   -12.564296687     4.305945702     8.128441816   1   0   0 # ob
    715      1   3 -1.050000   -13.003635671     1.561561842     8.125684876   1   0   0 # ob
    716      1   4 -0.950000     5.076103796     2.593024646     8.196446925   0   0   0 # oh
    717      1   3 -1.050000     6.401371885     0.877739741     5.891626886   0   0   0 # ob
    718      1   3 -1.050000   -12.551326715     2.898545115     5.896222036   1   0   0 # ob
    719      1   3 -1.050000   -11.682705231     0.393267726     6.134239507   1   0   0 # ob
    720      1   5  0.425000     3.984553539     2.599883160     7.995024441   0   0   0 # ho
    721      1   1  1.575000    -9.430111193     1.315464043     9.189872068   1   0   0 # ao
    722      1   2  2.100000    -5.218039044     9.067732250    -6.523590700   1   0   1 # st
    723      1   2  2.100000    -5.181708225     3.048848378    -6.517157818   1   0   1 # st
    724      1   3 -1.050000    -5.467536370     0.176965538    -8.141927041   1   0   1 # ob
    725      1   3 -1.050000    -5.028197386     2.921349398    -8.139170101   1   0   1 # ob
    726      1   4 -0.950000    -7.627936701     1.889886595    -8.209932150   1   0   1 # oh
    727      1   3 -1.050000    -8.953204789     3.605171499    -5.905112111   1   0   1 # ob
    728      1   3 -1.050000    -5.480506342     1.584366125    -5.909707262   1   0   1 # ob
    729      1   3 -1.050000    -6.349127826     4.089643514    -6.147724732   1   0   1 # ob
    730      1   5  0.425000    -6.536386443     1.883028080    -8.008509666   1   0   1 # ho
    731      1   1  1.575000    -6.821943888     5.798375353     9.189872068   1   0   0 # ao
    732      1   2  2.100000    -7.826206349     4.584820940    -6.523590700   1   0   1 # st
    733      1   2  2.100000    -7.733540767     7.531759689    -6.517157818   1   0   1 # st
    734      1   3 -1.050000    -8.019368913     4.659876849    -8.141927041   1   0   1 # ob
    735      1   3 -1.050000    -7.580029929     7.404260709    -8.139170101   1   0   1 # ob
    736      1   4 -0.950000    -5.019769396     6.372797905    -8.209932150   1   0   1 # oh
    737      1   3 -1.050000    -6.345037484     8.088082810    -5.905112111   1   0   1 # ob
    738      1   3 -1.050000    -8.032338885     6.067277436    -5.909707262   1   0   1 # ob
    739      1   3 -1.050000    -8.900960369     8.572554825    -6.147724732   1   0   1 # ob
    740      1   5  0.425000    -3.928219138     6.365939391    -8.008509666   1   0   1 # ho
    741      1   1  1.575000    -9.387432307     7.286701985     9.189872068   1   0   0 # ao
    742      1   2  2.100000   -10.205626708    -0.101909699     6.510105475   1   0   0 # st
    743      1   2  2.100000   -10.241957528     5.916974173     6.503672592   1   0   0 # st
    744      1   3 -1.050000    -9.956129382     8.788857013     8.128441816   1   0   0 # ob
    745      1   3 -1.050000   -10.395468366     6.044473153     8.125684876   1   0   0 # ob
    746      1   4 -0.950000    -7.795729052     7.075935956     8.196446925   1   0   0 # oh
    747      1   3 -1.050000    -6.470460963     5.360651052     5.891626886   1   0   0 # ob
    748      1   3 -1.050000    -9.943159410     7.381456426     5.896222036   1   0   0 # ob
    749      1   3 -1.050000    -9.074537926     4.876179037     6.134239507   1   0   0 # ob
    750      1   5  0.425000    -8.887279309     7.082794471     7.995024441   1   0   0 # ho
    751      1   1  1.575000   -11.995599612     2.803790675     9.189872068   1   0   0 # ao
    752      1   2  2.100000    -7.597459403     4.381001611     6.510105475   1   0   0 # st
    753      1   2  2.100000    -7.690124985     1.434062862     6.503672592   1   0   0 # st
    754      1   3 -1.050000    -7.404296839     4.305945702     8.128441816   1   0   0 # ob
    755      1   3 -1.050000    -7.843635823     1.561561842     8.125684876   1   0   0 # ob
    756      1   4 -0.950000   -10.403896356     2.593024646     8.196446925   1   0   0 # oh
    757      1   3 -1.050000    -9.078628268     0.877739741     5.891626886   1   0   0 # ob
    758      1   3 -1.050000    -7.391326867     2.898545115     5.896222036   1   0   0 # ob
    759      1   3 -1.050000    -6.522705383     0.393267726     6.134239507   1   0   0 # ob
    760      1   5  0.425000   -11.495446614     2.599883160     7.995024441   1   0   0 # ho
    761      1   1  1.575000    -4.270111345     1.315464043     9.189872068   1   0   0 # ao
    762      1   2  2.100000    -0.058039197     9.067732250    -6.523590700   1   0   1 # st
    763      1   2  2.100000    -0.021708377     3.048848378    -6.517157818   1   0   1 # st
    764      1   3 -1.050000    -0.307536523     0.176965538    -8.141927041   1   0   1 # ob
    765      1   3 -1.050000     0.131802461     2.921349398    -8.139170101   1   0   1 # ob
    766      1   4 -0.950000    -2.467936853     1.889886595    -8.209932150   1   0   1 # oh
    767      1   3 -1.050000    -3.793204941     3.605171499    -5.905112111   1   0   1 # ob
    768      1   3 -1.050000    -0.320506495     1.584366125    -5.909707262   1   0   1 # ob
    769      1   3 -1.050000    -1.189127979     4.089643514    -6.147724732   1   0   1 # ob
    770      1   5  0.425000    -1.376386596     1.883028080    -8.008509666   1   0   1 # ho
    771      1   1  1.575000    -1.661944041     5.798375353     9.189872068   1   0   0 # ao
    772      1   2  2.100000    -2.666206502     4.584820940    -6.523590700   1   0   1 # st
    773      1   2  2.100000    -2.573540920     7.531759689    -6.517157818   1   0   1 # st
    774      1   3 -1.050000    -2.859369065     4.659876849    -8.141927041   1   0   1 # ob
    775      1   3 -1.050000    -2.420030081     7.404260709    -8.139170101   1   0   1 # ob
    776      1   4 -0.950000     0.140230451     6.372797905    -8.209932150   1   0   1 # oh
    777      1   3 -1.050000    -1.185037637     8.088082810    -5.905112111   1   0   1 # ob
    778      1   3 -1.050000    -2.872339037     6.067277436    -5.909707262   1   0   1 # ob
    779      1   3 -1.050000    -3.740960522     8.572554825    -6.147724732   1   0   1 # ob
    780      1   5  0.425000     1.231780709     6.365939391    -8.008509666   1   0   1 # ho
    781      1   1  1.575000    -4.227432460     7.286701985     9.189872068   1   0   0 # ao
    782      1   2  2.100000    -5.045626860    -0.101909699     6.510105475   1   0   0 # st
    783      1   2  2.100000    -5.081957680     5.916974173     6.503672592   1   0   0 # st
    784      1   3 -1.050000    -4.796129535     8.788857013     8.128441816   1   0   0 # ob
    785      1   3 -1.050000    -5.235468519     6.044473153     8.125684876   1   0   0 # ob
    786      1   4 -0.950000    -2.635729204     7.075935956     8.196446925   1   0   0 # oh
    787      1   3 -1.050000    -1.310461116     5.360651052     5.891626886   1   0   0 # ob
    788      1   3 -1.050000    -4.783159563     7.381456426     5.896222036   1   0   0 # ob
    789      1   3 -1.050000    -3.914538079     4.876179037     6.134239507   1   0   0 # ob
    790      1   5  0.425000    -3.727279462     7.082794471     7.995024441   1   0   0 # ho
    791      1   1  1.575000    -6.835599765     2.803790675     9.189872068   1   0   0 # ao
    792      1   2  2.100000    -2.437459556     4.381001611     6.510105475   1   0   0 # st
    793      1   2  2.100000    -2.530125137     1.434062862     6.503672592   1   0   0 # st
    794      1   3 -1.050000    -2.244296992     4.305945702     8.128441816   1   0   0 # ob
    795      1   3 -1.050000    -2.683635976     1.561561842     8.125684876   1   0   0 # ob
    796      1   4 -0.950000    -5.243896509     2.593024646     8.196446925   1   0   0 # oh
    797      1   3 -1.050000    -3.918628421     0.877739741     5.891626886   1   0   0 # ob
    798      1   3 -1.050000    -2.231327020     2.898545115     5.896222036   1   0   0 # ob
    799      1   3 -1.050000    -1.362705536     0.393267726     6.134239507   1   0   0 # ob
    800      1   5  0.425000    -6.335446766     2.599883160     7.995024441   1   0   0 # ho
    801      1   1  1.575000     0.946223874    10.281286664     9.189872068   0   0   0 # ao
    802      1   2  2.100000     4.932957348   -17.829737203    -6.523590700   0   1   1 # st
    803      1   2  2.100000     5.194626842    12.014671000    -6.517157818   0   0   1 # st
    804      1   3 -1.050000     4.908798697     9.142788159    -8.141927041   0   0   1 # ob
    805      1   3 -1.050000     5.348137681    11.887172019    -8.139170101   0   0   1 # ob
    806      1   4 -0.950000     2.748398366    10.855709216    -8.209932150   0   0   1 # oh
    807      1   3 -1.050000     1.423130278    12.570994121    -5.905112111   0   0   1 # ob
    808      1   3 -1.050000     4.895828725    10.550188747    -5.909707262   0   0   1 # ob
    809      1   3 -1.050000     4.027207241    13.055466135    -6.147724732   0   0   1 # ob
    810      1   5  0.425000     3.839948624    10.848850702    -8.008509666   0   0   1 # ho
    811      1   1  1.575000     3.554391179    14.764197975     9.189872068   0   0   0 # ao
    812      1   2  2.100000     2.550128718    13.550643561    -6.523590700   0   0   1 # st
    813      1   2  2.100000     2.642794300    16.497582311    -6.517157818   0   0   1 # st
    814      1   3 -1.050000     2.356966154    13.625699470    -8.141927041   0   0   1 # ob
    815      1   3 -1.050000     2.796305138    16.370083330    -8.139170101   0   0   1 # ob
    816      1   4 -0.950000     5.356565671    15.338620527    -8.209932150   0   0   1 # oh
    817      1   3 -1.050000     4.031297583    17.053905432    -5.905112111   0   0   1 # ob
    818      1   3 -1.050000     2.343996182    15.033100058    -5.909707262   0   0   1 # ob
    819      1   3 -1.050000     1.475374698    17.538377446    -6.147724732   0   0   1 # ob
    820      1   5  0.425000     6.448115929    15.331762013    -8.008509666   0   0   1 # ho
    821      1   1  1.575000     0.988902760    16.252524607     9.189872068   0   0   0 # ao
    822      1   2  2.100000     0.170708359     8.863912922     6.510105475   0   0   0 # st
    823      1   2  2.100000     0.134377539    14.882796794     6.503672592   0   0   0 # st
    824      1   3 -1.050000     0.194867010   -18.108612440     8.128441816   0   1   0 # ob
    825      1   3 -1.050000    -0.019133299    15.010295775     8.125684876   0   0   0 # ob
    826      1   4 -0.950000     2.580606015    16.041758578     8.196446925   0   0   0 # oh
    827      1   3 -1.050000     3.905874104    14.326473673     5.891626886   0   0   0 # ob
    828      1   3 -1.050000     0.433175657    16.347279047     5.896222036   0   0   0 # ob
    829      1   3 -1.050000     1.301797141    13.842001659     6.134239507   0   0   0 # ob
    830      1   5  0.425000     1.489055758    16.048617092     7.995024441   0   0   0 # ho
    831      1   1  1.575000    -1.619264545    11.769613296     9.189872068   0   0   0 # ao
    832      1   2  2.100000     2.778875664    13.346824233     6.510105475   0   0   0 # st
    833      1   2  2.100000     2.686210082    10.399885483     6.503672592   0   0   0 # st
    834      1   3 -1.050000     2.972038228    13.271768324     8.128441816   0   0   0 # ob
    835      1   3 -1.050000     2.532699244    10.527384464     8.125684876   0   0   0 # ob
    836      1   4 -0.950000    -0.027561289    11.558847267     8.196446925   0   0   0 # oh
    837      1   3 -1.050000     1.297706799     9.843562362     5.891626886   0   0   0 # ob
    838      1   3 -1.050000     2.985008200    11.864367737     5.896222036   0   0   0 # ob
    839      1   3 -1.050000     3.853629684     9.359090348     6.134239507   0   0   0 # ob
    840      1   5  0.425000    -1.119111547    11.565705782     7.995024441   0   0   0 # ho
    841      1   1  1.575000     6.106223722    10.281286664     9.189872068   0   0   0 # ao
    842      1   2  2.100000   -10.547042805   -17.829737203    -6.523590700   1   1   1 # st
    843      1   2  2.100000   -10.285373310    12.014671000    -6.517157818   1   0   1 # st
    844      1   3 -1.050000    10.068798544     9.142788159    -8.141927041   0   0   1 # ob
    845      1   3 -1.050000   -10.131862472    11.887172019    -8.139170101   1   0   1 # ob
    846      1   4 -0.950000     7.908398214    10.855709216    -8.209932150   0   0   1 # oh
    847      1   3 -1.050000     6.583130126    12.570994121    -5.905112111   0   0   1 # ob
    848      1   3 -1.050000   -10.584171428    10.550188747    -5.909707262   1   0   1 # ob
    849      1   3 -1.050000     9.187207088    13.055466135    -6.147724732   0   0   1 # ob
    850      1   5  0.425000     8.999948471    10.848850702    -8.008509666   0   0   1 # ho
    851      1   1  1.575000   -11.925608974    14.764197975     9.189872068   1   0   0 # ao
    852      1   2  2.100000     7.710128565    13.550643561    -6.523590700   0   0   1 # st
    853      1   2  2.100000     7.802794147    16.497582311    -6.517157818   0   0   1 # st
    854      1   3 -1.050000     7.516966002    13.625699470    -8.141927041   0   0   1 # ob
    855      1   3 -1.050000     7.956304986    16.370083330    -8.139170101   0   0   1 # ob
    856      1   4 -0.950000   -10.123434482    15.338620527    -8.209932150   1   0   1 # oh
    857      1   3 -1.050000     9.191297430    17.053905432    -5.905112111   0   0   1 # ob
    858      1   3 -1.050000     7.503996030    15.033100058    -5.909707262   0   0   1 # ob
    859      1   3 -1.050000     6.635374545    17.538377446    -6.147724732   0   0   1 # ob
    860      1   5  0.425000    -9.031884224    15.331762013    -8.008509666   1   0   1 # ho
    861      1   1  1.575000     6.148902607    16.252524607     9.189872068   0   0   0 # ao
    862      1   2  2.100000     5.330708207     8.863912922     6.510105475   0   0   0 # st
    863      1   2  2.100000     5.294377387    14.882796794     6.503672592   0   0   0 # st
    864      1   3 -1.050000     5.354866857   -18.108612440     8.128441816   0   1   0 # ob
    865      1   3 -1.050000     5.140866548    15.010295775     8.125684876   0   0   0 # ob
    866      1   4 -0.950000   -12.899394137    16.041758578     8.196446925   1   0   0 # oh
    867      1   3 -1.050000   -11.574126049    14.326473673     5.891626886   1   0   0 # ob
    868      1   3 -1.050000     5.593175504    16.347279047     5.896222036   0   0   0 # ob
    869      1   3 -1.050000     6.461796988    13.842001659     6.134239507   0   0   0 # ob
    870      1   5  0.425000     6.649055605    16.048617092     7.995024441   0   0   0 # ho
    871      1   1  1.575000     3.540735302    11.769613296     9.189872068   0   0   0 # ao
    872      1   2  2.100000   -12.701124489    13.346824233     6.510105475   1   0   0 # st
    873      1   2  2.100000   -12.793790070    10.399885483     6.503672592   1   0   0 # st
    874      1   3 -1.050000   -12.507961925    13.271768324     8.128441816   1   0   0 # ob
    875      1   3 -1.050000   -12.947300909    10.527384464     8.125684876   1   0   0 # ob
    876      1   4 -0.950000     5.132438558    11.558847267     8.196446925   0   0   0 # oh
    877      1   3 -1.050000     6.457706646     9.843562362     5.891626886   0   0   0 # ob
    878      1   3 -1.050000   -12.494991953    11.864367737     5.896222036   1   0   0 # ob
    879      1   3 -1.050000   -11.626370469     9.359090348     6.134239507   1   0   0 # ob
    880      1   5  0.425000     4.040888301    11.565705782     7.995024441   0   0   0 # ho
    881      1   1  1.575000    -9.373776431    10.281286664     9.189872068   1   0   0 # ao
    882      1   2  2.100000    -5.387042958   -17.829737203    -6.523590700   1   1   1 # st
    883      1   2  2.100000    -5.125373463    12.014671000    -6.517157818   1   0   1 # st
    884      1   3 -1.050000    -5.411201608     9.142788159    -8.141927041   1   0   1 # ob
    885      1   3 -1.050000    -4.971862624    11.887172019    -8.139170101   1   0   1 # ob
    886      1   4 -0.950000    -7.571601939    10.855709216    -8.209932150   1   0   1 # oh
    887      1   3 -1.050000    -8.896870027    12.570994121    -5.905112111   1   0   1 # ob
    888      1   3 -1.050000    -5.424171580    10.550188747    -5.909707262   1   0   1 # ob
    889      1   3 -1.050000    -6.292793064    13.055466135    -6.147724732   1   0   1 # ob
    890      1   5  0.425000    -6.480051681    10.848850702    -8.008509666   1   0   1 # ho
    891      1   1  1.575000    -6.765609126    14.764197975     9.189872068   1   0   0 # ao
    892      1   2  2.100000    -7.769871587    13.550643561    -6.523590700   1   0   1 # st
    893      1   2  2.100000    -7.677206006    16.497582311    -6.517157818   1   0   1 # st
    894      1   3 -1.050000    -7.963034151    13.625699470    -8.141927041   1   0   1 # ob
    895      1   3 -1.050000    -7.523695167    16.370083330    -8.139170101   1   0   1 # ob
    896      1   4 -0.950000    -4.963434634    15.338620527    -8.209932150   1   0   1 # oh
    897      1   3 -1.050000    -6.288702722    17.053905432    -5.905112111   1   0   1 # ob
    898      1   3 -1.050000    -7.976004123    15.033100058    -5.909707262   1   0   1 # ob
    899      1   3 -1.050000    -8.844625607    17.538377446    -6.147724732   1   0   1 # ob
    900      1   5  0.425000    -3.871884377    15.331762013    -8.008509666   1   0   1 # ho
    901      1   1  1.575000    -9.331097546    16.252524607     9.189872068   1   0   0 # ao
    902      1   2  2.100000   -10.149291946     8.863912922     6.510105475   1   0   0 # st
    903      1   2  2.100000   -10.185622766    14.882796794     6.503672592   1   0   0 # st
    904      1   3 -1.050000   -10.125133295   -18.108612440     8.128441816   1   1   0 # ob
    905      1   3 -1.050000   -10.339133604    15.010295775     8.125684876   1   0   0 # ob
    906      1   4 -0.950000    -7.739394290    16.041758578     8.196446925   1   0   0 # oh
    907      1   3 -1.050000    -6.414126201    14.326473673     5.891626886   1   0   0 # ob
    908      1   3 -1.050000    -9.886824648    16.347279047     5.896222036   1   0   0 # ob
    909      1   3 -1.050000    -9.018203164    13.842001659     6.134239507   1   0   0 # ob
    910      1   5  0.425000    -8.830944547    16.048617092     7.995024441   1   0   0 # ho
    911      1   1  1.575000   -11.939264850    11.769613296     9.189872068   1   0   0 # ao
    912      1   2  2.100000    -7.541124641    13.346824233     6.510105475   1   0   0 # st
    913      1   2  2.100000    -7.633790223    10.399885483     6.503672592   1   0   0 # st
    914      1   3 -1.050000    -7.347962077    13.271768324     8.128441816   1   0   0 # ob
    915      1   3 -1.050000    -7.787301062    10.527384464     8.125684876   1   0   0 # ob
    916      1   4 -0.950000   -10.347561594    11.558847267     8.196446925   1   0   0 # oh
    917      1   3 -1.050000    -9.022293506     9.843562362     5.891626886   1   0   0 # ob
    918      1   3 -1.050000    -7.334992106    11.864367737     5.896222036   1   0   0 # ob
    919      1   3 -1.050000    -6.466370621     9.359090348     6.134239507   1   0   0 # ob
    920      1   5  0.425000   -11.439111852    11.565705782     7.995024441   1   0   0 # ho
    921      1   1  1.575000    -4.213776583    10.281286664     9.189872068   1   0   0 # ao
    922      1   2  2.100000    -0.227043110   -17.829737203    -6.523590700   1   1   1 # st
    923      1   2  2.100000     0.034626385    12.014671000    -6.517157818   1   0   1 # st
    924      1   3 -1.050000    -0.251201761     9.142788159    -8.141927041   1   0   1 # ob
    925      1   3 -1.050000     0.188137223    11.887172019    -8.139170101   1   0   1 # ob
    926      1   4 -0.950000    -2.411602091    10.855709216    -8.209932150   1   0   1 # oh
    927      1   3 -1.050000    -3.736870180    12.570994121    -5.905112111   1   0   1 # ob
    928      1   3 -1.050000    -0.264171733    10.550188747    -5.909707262   1   0   1 # ob
    929      1   3 -1.050000    -1.132793217    13.055466135    -6.147724732   1   0   1 # ob
    930      1   5  0.425000    -1.320051834    10.848850702    -8.008509666   1   0   1 # ho
    931      1   1  1.575000    -1.605609279    14.764197975     9.189872068   1   0   0 # ao
    932      1   2  2.100000    -2.609871740    13.550643561    -6.523590700   1   0   1 # st
    933      1   2  2.100000    -2.517206158    16.497582311    -6.517157818   1   0   1 # st
    934      1   3 -1.050000    -2.803034304    13.625699470    -8.141927041   1   0   1 # ob
    935      1   3 -1.050000    -2.363695320    16.370083330    -8.139170101   1   0   1 # ob
    936      1   4 -0.950000     0.196565213    15.338620527    -8.209932150   1   0   1 # oh
    937      1   3 -1.050000    -1.128702875    17.053905432    -5.905112111   1   0   1 # ob
    938      1   3 -1.050000    -2.816004275    15.033100058    -5.909707262   1   0   1 # ob
    939      1   3 -1.050000    -3.684625760    17.538377446    -6.147724732   1   0   1 # ob
    940      1   5  0.425000     1.288115471    15.331762013    -8.008509666   1   0   1 # ho
    941      1   1  1.575000    -4.171097698    16.252524607     9.189872068   1   0   0 # ao
    942      1   2  2.100000    -4.989292099     8.863912922     6.510105475   1   0   0 # st
    943      1   2  2.100000    -5.025622918    14.882796794     6.503672592   1   0   0 # st
    944      1   3 -1.050000    -4.965133448   -18.108612440     8.128441816   1   1   0 # ob
    945      1   3 -1.050000    -5.179133757    15.010295775     8.125684876   1   0   0 # ob
    946      1   4 -0.950000    -2.579394442    16.041758578     8.196446925   1   0   0 # oh
    947      1   3 -1.050000    -1.254126354    14.326473673     5.891626886   1   0   0 # ob
    948      1   3 -1.050000    -4.726824801    16.347279047     5.896222036   1   0   0 # ob
    949      1   3 -1.050000    -3.858203317    13.842001659     6.134239507   1   0   0 # ob
    950      1   5  0.425000    -3.670944700    16.048617092     7.995024441   1   0   0 # ho
    951      1   1  1.575000    -6.779265003    11.769613296     9.189872068   1   0   0 # ao
    952      1   2  2.100000    -2.381124794    13.346824233     6.510105475   1   0   0 # st
    953      1   2  2.100000    -2.473790376    10.399885483     6.503672592   1   0   0 # st
    954      1   3 -1.050000    -2.187962230    13.271768324     8.128441816   1   0   0 # ob
    955      1   3 -1.050000    -2.627301214    10.527384464     8.125684876   1   0   0 # ob
    956      1   4 -0.950000    -5.187561747    11.558847267     8.196446925   1   0   0 # oh
    957      1   3 -1.050000    -3.862293659     9.843562362     5.891626886   1   0   0 # ob
    958      1   3 -1.050000    -2.174992258    11.864367737     5.896222036   1   0   0 # ob
    959      1   3 -1.050000    -1.306370774     9.359090348     6.134239507   1   0   0 # ob
    960      1   5  0.425000    -6.279112005    11.565705782     7.995024441   1   0   0 # ho
    961      1   1  1.575000     0.777219961   -16.616182789     9.189872068   0   1   0 # ao
    962      1   2  2.100000     4.989292109    -8.863914582    -6.523590700   0   1   1 # st