* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    144    201     414
    1     0 S   NP   _N1_     1    27.81409    96.14621   -22.51391
    2     1 S   H    _HN1     2     1.02834    32.27382   140.50931
    3     1 S   H    _H1_     3     1.02779   100.98950  -113.33231
    4     1 S   H    _H2_     4     1.02956    79.99671    -6.42428
    5     1 S   CT   _CA1     5     1.50113   138.65950   103.18048
    6     5 S   HC   _HA1     6     1.09576   105.23529    79.50247
    7     5 S   CO3  _C1_     7     1.53805   112.29327   -40.70040
    8     7 S   O2Z  _O11     8     1.26357   115.02003   -45.91113
    9     7 S   O2Z  _O12     9     1.26233   114.94590   133.16375
   10     5 S   CT   _CB1    10     1.53096   107.40903  -162.60854
   11    10 S   HC   HB11    11     1.09825   109.43197   -50.57044
   12    10 S   HC   HB12    12     1.09814   110.41516    66.02958
   13    10 S   CT   _CG1    13     1.52963   112.56961  -171.60361
   14    13 S   HC   HG11    14     1.09550   110.40385   -63.80501
   15    13 S   HC   HG12    15     1.09655   109.95698    55.38450
   16    13 S   C    _CD1    16     1.51796   112.36136   176.08303
   17    16 S   O    _OE1    17     1.22750   123.34096     3.12788
   18    16 S   N    _N2_    18     1.38441   111.64512  -177.32321
   19    18 S   H    _HN2    19     1.01790   119.06507     5.41305
   20    18 S   CT1  _CA2    20     1.45667   123.12128   178.73421
   21    20 S   HC   _HA2    21     1.09705   109.03173    24.40353
   22    20 S   C    _C2_    22     1.52978   107.23209   -93.04666
   23    22 S   O    _O2_    23     1.22949   123.04307   -24.95486
   24    20 S   CT   _CB2    32     1.53153   112.08509   147.69917
   25    24 S   HC   HB21    33     1.09506   109.86919    56.55331
   26    24 S   HC   HB22    34     1.09406   109.90433   174.93531
   27    22 S   N    _N3_    24     1.38659   112.33907   158.20930
   28    27 S   H    _HN3    25     1.01492   119.71558     0.10279
   29    24 S   S    _SG2    35     1.82797   111.78865   -64.76171
   30    27 S   CT   _CA3    26     1.45424   122.70948   173.87103
   31    30 S   HC   HA31    27     1.09541   108.86566    32.64339
   32    30 S   HC   HA32    28     1.09473   107.22278   149.81353
   33    29 S   CT   _C16    36     1.85289    99.50804   163.46788
   34    33 S   HC   _H3_    37     1.09558   105.79449   -41.32935
   35    30 S   CO3  _C3_    29     1.53119   113.56268   -90.24661
   36    35 S   O2Z  _O31    30     1.26380   115.85637   -30.87142
   37    35 S   O2Z  _O32    31     1.26416   114.67246   149.99663
   38    33 S   CT   _C15    38     1.55107   108.50885    74.91142
   39    38 S   HC   _H21    39     1.09549   110.26133    80.81022
   40    38 S   HC   _H22    40     1.09622   110.73491   -34.43581
   41    33 S   CT   _C17    71     1.56615   111.84310  -157.14415
   42    38 S   CT   _C14    41     1.53760   115.44922  -155.97417
   43    42 S   HC   _H19    42     1.09842   108.21507  -174.65896
   44    42 S   HC   _H20    43     1.09424   110.35038   -60.76788
   45    41 S   CT   _C18    72     1.53854   112.24559    56.26033
   46    45 S   HC   _H23    73     1.09392   110.58148    53.57663
   47    45 S   HC   _H24    74     1.09370   112.84052   -68.55799
   48    45 S   HC   _H25    75     1.09674   110.82169   170.75729
   49    41 S   CT   _C19    76     1.53491   114.19175   -68.73549
   50    49 S   HC   _H26    77     1.09447   111.61115   -65.26915
   51    49 S   HC   _H27    78     1.09693   110.53334   177.87137
   52    49 S   HC   _H28    79     1.09364   112.38241    57.51396
   53    41 S   OH   _O35    80     1.43534   107.67974   172.15287
   54    53 S   HO   _H29    81     0.97260   108.27143   178.35444
   55    42 S   CM   _C5_    44     1.51878   114.16288    65.27660
   56    55 S   CM   _C6_    45     1.34785   120.26845  -113.81227
   57    56 S   HC   _H7_    46     1.08963   117.90092     0.28531
   58    55 S   CT   _C4_    67     1.50563   115.20007    68.02031
   59    58 S   HC   _H4_    68     1.09345   110.36549   -77.44097
   60    58 S   HC   _H5_    69     1.09190   113.41938   161.24436
   61    58 S   HC   _H6_    70     1.09542   110.30888    42.22986
   62    56 S   CT   _C7_    47     1.50480   127.75835  -179.59700
   63    62 S   HC   _H8_    48     1.09289   112.57005    -1.71828
   64    62 S   HC   _H9_    49     1.09733   107.47495   114.60725
   65    62 S   CT   _C8_    50     1.53609   113.14509  -126.13486
   66    65 S   HC   _H10    51     1.09828   108.77358   -59.77497
   67    65 S   HC   _H11    52     1.09805   108.43942  -174.04372
   68    65 S   CM   _C9_    53     1.52032   114.94182    64.98696
   69    68 S   CM   _C10    54     1.34647   119.26181  -121.84383
   70    69 S   HC   _H12    55     1.08779   119.33921     0.16432
   71    68 S   CT   _C13    63     1.50504   115.33292    60.73360
   72    71 S   HC   _H16    64     1.09409   110.45646   -82.65886
   73    71 S   HC   _H17    65     1.09568   110.27697    36.92315
   74    71 S   HC   _H18    66     1.09226   113.14950   155.33390
   75    69 S   CO4  _C11    56     1.48243   125.75356   179.31529
   76    75 S   O    _O33    57     1.21910   126.22683   -18.32324
   77    75 S   OS   _O34    58     1.36088   107.23376   162.69045
   78    77 S   CT   _C12    59     1.43090   115.19921   178.62541
   79    78 S   HC   _H13    60     1.09319   108.12843   174.72333
   80    78 S   HC   _H14    61     1.09433   110.57846    55.86174
   81    78 S   HC   _H15    62     1.09392   109.88553   -66.74019
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  12   6   5  11  10   4   3   9   4   3   2
   5   3   2   1   1   1  10  12   5   4   2   1   1   8   5   4
  10   4   3   9   9   4   4   2   1   1   6   2   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    55    41    45    46    47    48    49    50    51    52    53    54  
   38    39    40    42    41    45    49    53  
   36    37  
   37  
    0  
   39    40    42    43    44    55    56    58    41    45    49    53  
   40    42    43    44    55    41  
   42    43    44    55    41  
   45    46    47    48    49    50    51    52    53    54    42  
   43    44    55    56    57    62    58    59    60    61  
   44    55    56    58  
   55    56    58  
   46    47    48    49    50    51    52    53    54  
   47    48    49    53  
   48    49    53  
   49    53  
   50    51    52    53    54  
   51    52    53  
   52    53  
   53  
   54  
    0  
   56    57    62    63    64    65    58    59    60    61  
   57    62    63    64    65    66    67    68    58    59    60    61  
   62    63    64    65    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    71  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    75    71    72    73    74  
   67    68    69    71  
   68    69    71  
   69    70    75    76    77    71    72    73    74  
   70    75    76    77    78    71    72    73    74  
   75    76    77    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78    79    80    81  
   77    78  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   78   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    55   317.000  1.510
   55    56   549.000  1.340
   55    58   317.000  1.510
   56    57   340.000  1.080
   56    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   549.000  1.340
   68    71   317.000  1.510
   69    70   340.000  1.080
   69    75   320.000  1.462
   75    76   570.000  1.229
   75    77   214.000  1.327
   77    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   41    53   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   33    41    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    55    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    55    56    70.00000  124.00000
   42    55    58    65.00000  117.92700
   44    42    43    33.00000  107.80000
   55    42    43    35.00000  109.50000
   55    42    44    35.00000  109.50000
   55    56    57    35.00000  120.00000
   55    56    62    70.00000  124.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    70.00000  112.02700
   62    56    57    35.00000  117.00000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    70.00000  124.00000
   65    68    71    65.00000  117.92700
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    69    70    35.00000  120.00000
   68    69    75    65.00000  118.96000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    80.00000  123.72100
   69    75    77    90.00000  111.29400
   75    69    70    40.00000  117.72500
   75    77    78    83.00000  116.90000
   77    75    76    83.00000  123.40000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   71    68    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    55    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    52    37.50000  110.70000
   41    53    54    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    41    45    50.00000  109.50000
   53    41    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   29    33    41    53   0.56750  1.0 1.0
   29    33    41    53  -0.07550 -1.0 2.0
   29    33    41    53   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    55   0.34400  1.0 1.0
   33    38    42    55   0.09450 -1.0 2.0
   33    38    42    55   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    52   0.15000  1.0 3.0
   33    41    53    54  -0.11600  1.0 1.0
   33    41    53    54  -0.09450 -1.0 2.0
   33    41    53    54   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.15000  1.0 3.0
   34    33    41    53   0.23400  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.56750  1.0 1.0
   38    33    41    49  -0.07550 -1.0 2.0
   38    33    41    49   0.20000  1.0 3.0
   38    33    41    53   0.86500  1.0 1.0
   38    33    41    53  -0.17500 -1.0 2.0
   38    33    41    53   0.20800  1.0 3.0
   38    42    55    56   0.09850  1.0 1.0
   38    42    55    56   0.15250 -1.0 2.0
   38    42    55    56  -0.50650  1.0 3.0
   38    42    55    58   0.46850  1.0 1.0
   38    42    55    58   0.08550 -1.0 2.0
   38    42    55    58   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    55   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    55   0.15000  1.0 3.0
   42    55    56    57   7.00000 -1.0 2.0
   42    55    56    62   7.00000 -1.0 2.0
   42    55    58    59   0.34800  1.0 3.0
   42    55    58    60   0.34800  1.0 3.0
   42    55    58    61   0.34800  1.0 3.0
   43    42    55    56   0.00000  1.0 1.0
   43    42    55    58   0.34800  1.0 3.0
   44    42    55    56   0.00000  1.0 1.0
   44    42    55    58   0.34800  1.0 3.0
   55    56    62    63   0.00000  1.0 1.0
   55    56    62    64   0.00000  1.0 1.0
   55    56    62    65   0.09850  1.0 1.0
   55    56    62    65   0.15250 -1.0 2.0
   55    56    62    65  -0.50650  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    61   0.00000  1.0 1.0
   56    62    65    66   0.15000  1.0 3.0
   56    62    65    67   0.15000  1.0 3.0
   56    62    65    68   0.31000  1.0 1.0
   56    62    65    68   0.14700 -1.0 2.0
   56    62    65    68   0.07550  1.0 3.0
   57    56    62    63   0.33100  1.0 3.0
   57    56    62    64   0.33100  1.0 3.0
   57    56    62    65   0.00000  1.0 1.0
   62    65    68    69   0.09850  1.0 1.0
   62    65    68    69   0.15250 -1.0 2.0
   62    65    68    69  -0.50650  1.0 3.0
   62    65    68    71   0.46850  1.0 1.0
   62    65    68    71   0.08550 -1.0 2.0
   62    65    68    71   0.09800  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    69    70   7.00000 -1.0 2.0
   65    68    69    75   7.00000 -1.0 2.0
   65    68    71    72   0.34800  1.0 3.0
   65    68    71    73   0.34800  1.0 3.0
   65    68    71    74   0.34800  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    71   0.34800  1.0 3.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    71   0.34800  1.0 3.0
   68    69    75    76   1.00000 -1.0 2.0
   68    69    75    77  -0.56150  1.0 1.0
   68    69    75    77   2.19150 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    77    78   2.00000 -1.0 2.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   1.63100 -1.0 2.0
   75    77    78    79   0.08050  1.0 3.0
   75    77    78    80   0.08050  1.0 3.0
   75    77    78    81   0.08050  1.0 3.0
   76    75    77    78   3.00000 -1.0 2.0
   71    68    69    70   7.00000 -1.0 2.0
   71    68    69    75   7.00000 -1.0 2.0
   58    55    56    57   7.00000 -1.0 2.0
   58    55    56    62   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    52   0.15000  1.0 3.0
   45    41    53    54  -0.11600  1.0 1.0
   45    41    53    54  -0.09450 -1.0 2.0
   45    41    53    54   0.21250  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  1.0 3.0
   49    41    53    54  -0.11600  1.0 1.0
   49    41    53    54  -0.09450 -1.0 2.0
   49    41    53    54   0.21250  1.0 3.0
   53    41    45    46   0.23400  1.0 3.0
   53    41    45    47   0.23400  1.0 3.0
   53    41    45    48   0.23400  1.0 3.0
   53    41    49    50   0.23400  1.0 3.0
   53    41    49    51   0.23400  1.0 3.0
   53    41    49    52   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    58    55    56  15.00000 -1.0 2.0
   62    57    56    55  15.00000 -1.0 2.0
   65    71    68    69  15.00000 -1.0 2.0
   75    70    69    68  15.00000 -1.0 2.0
   69    77    75    76  10.50000 -1.0 2.0
END
