* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    140    220     410
    1     0 S   NP   _N1_     1    28.81317    93.11846   -21.55302
    2     1 S   H    _HN1     2     1.02937    95.14747    54.79464
    3     1 S   H    _H1_     3     1.02809    18.80300  -175.18700
    4     1 S   H    _H2_     4     1.02755    99.01194   -54.69336
    5     1 S   CT   _CA1     5     1.50127   129.44584   176.20512
    6     5 S   HC   _HA1     6     1.09582   105.15904    61.45762
    7     5 S   CO3  _C1_     7     1.53745   112.42786   -58.36826
    8     7 S   O2Z  _O11     8     1.26316   115.00153   -39.19897
    9     7 S   O2Z  _O12     9     1.26256   114.91877   139.71346
   10     5 S   CT   _CB1    10     1.53064   107.32795   179.10169
   11    10 S   HC   HB11    11     1.09793   108.94492   -52.14473
   12    10 S   HC   HB12    12     1.09765   110.42978    64.19191
   13    10 S   CT   _CG1    13     1.53068   112.95642  -173.75189
   14    13 S   HC   HG11    14     1.09588   109.95421   -66.98358
   15    13 S   HC   HG12    15     1.09625   110.36188    52.09367
   16    13 S   C    _CD1    16     1.51889   112.11012   171.71957
   17    16 S   O    _OE1    17     1.22794   122.89805   -21.55205
   18    16 S   N    _N2_    18     1.38615   112.04876   160.01170
   19    18 S   H    _HN2    19     1.01577   119.12960    -0.67984
   20    18 S   CT1  _CA2    20     1.46406   123.43155  -178.36949
   21    20 S   HC   _HA2    21     1.09751   109.14200   -17.99214
   22    20 S   C    _C2_    22     1.53440   108.42850  -133.55452
   23    22 S   O    _O2_    23     1.23012   122.34925  -147.69291
   24    20 S   CT   _CB2    32     1.53735   111.52738   104.04708
   25    24 S   HC   HB21    33     1.09471   109.13209    55.55014
   26    24 S   HC   HB22    34     1.09452   110.17318   174.30016
   27    22 S   N    _N3_    24     1.38558   113.32387    39.91267
   28    27 S   H    _HN3    25     1.01531   118.83678    -0.75251
   29    24 S   S    _SG2    35     1.83307   110.71357   -66.25960
   30    27 S   CT   _CA3    26     1.45430   123.44086   175.10327
   31    30 S   HC   HA31    27     1.09525   109.19980    25.03104
   32    30 S   HC   HA32    28     1.09495   107.12774   142.01847
   33    29 S   CT   _C5_    36     1.85514   103.03687   166.50663
   34    33 S   OM   _O38    37     1.31674   110.45346   -54.59000
   35    30 S   CO3  _C3_    29     1.52921   113.16275   -98.43044
   36    35 S   O2Z  _O31    30     1.26401   115.43565   -44.19834
   37    35 S   O2Z  _O32    31     1.26362   114.97281   136.78206
   38    33 S   CT   _C6_    38     1.56832   109.93835  -174.72757
   39    38 S   HC   _H6_    39     1.09937   109.57036   -59.28307
   40    38 S   HC   _H7_    40     1.09565   110.03215  -172.27559
   41    33 S   S    _S1_    76     1.86389   110.30620    63.91661
   42    38 S   CA   _C7_    41     1.52899   117.97829    62.10509
   43    41 S   CT   _C4_    77     1.81173   102.34029    66.87149
   44    43 S   HC   _H3_    78     1.09385   108.39986  -170.88939
   45    43 S   HC   _H4_    79     1.09241   110.80000    71.27576
   46    43 S   HC   _H5_    80     1.09181   111.86696   -52.09246
   47    42 S   CA   _C8_    42     1.40573   117.76858   -89.31720
   48    47 S   HA   _H8_    43     1.09071   118.47714    -3.19500
   49    47 S   CA   _C9_    44     1.40548   122.82185   175.64859
   50    49 S   CA   _C10    45     1.40312   119.27945  -178.62214
   51    50 S   HA   _H9_    46     1.09124   118.83665    -0.36154
   52    49 S   CA   _C18    57     1.40753   120.41732     0.76719
   53    50 S   CA   _C11    47     1.40125   122.34311   179.22620
   54    52 S   CA   _C19    58     1.42690   116.79056     0.49337
   55    53 S   CA   _C12    48     1.40641   119.65952  -179.70591
   56    55 S   HA   _H10    49     1.08886   120.41095    -0.14537
   57    42 S   CA   _C20    59     1.40178   124.76297    88.64183
   58    54 S   OH   _O35    70     1.37714   117.85196   179.28318
   59    58 S   HO   _H17    71     0.97214   110.12513   166.24605
   60    55 S   CA   _C13    50     1.39236   121.20970  -180.00000
   61    60 S   HA   _H11    51     1.08612   120.08590   179.78786
   62    57 S   CO4  _C21    60     1.48236   121.89554     5.86254
   63    62 S   O    _O33    61     1.22830   118.94787  -121.34044
   64    60 S   CA   _C14    52     1.38664   119.68366     0.00000
   65    64 S   HA   _H12    53     1.08622   119.42724   179.82868
   66    62 S   CT   _C22    62     1.51082   118.26168    63.74144
   67    66 S   HC   _H13    63     1.09541   110.66499     3.74857
   68    66 S   HC   _H14    64     1.09549   107.59281  -114.28615
   69    64 S   CA   _C15    54     1.39744   119.50270    -0.03956
   70    66 S   C    _C23    65     1.51067   113.20357   123.84305
   71    70 S   O    _O34    66     1.22799   123.16538   -34.21766
   72    53 S   CA   _C16    55     1.41045   119.87145     0.20174
   73    70 S   N    _N4_    67     1.37459   113.52480   147.11371
   74    73 S   H    _H15    68     1.01424   122.72654    -0.77984
   75    73 S   H    _H16    69     1.01397   120.27543   179.61948
   76    69 S   OH   _O37    74     1.37393   118.32929  -179.95154
   77    76 S   HO   _H19    75     0.97270   109.05069    -0.72739
   78    72 S   CA   _C17    56     1.42951   117.17709    -0.08847
   79    78 S   OH   _O36    72     1.37868   119.47112  -179.96574
   80    79 S   HO   _H18    73     0.97174   109.18035     4.79224
  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   8   5   4   3
  12   6   2   1   1  11   5   4   5  11   3   2   1   1  10   4
  11  10   4  11  10   9   8   4   9   3   1   6   3   7   4   6
   3   7   4   3   5   4   3   5   2   1   1   2   1   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    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    57    41    43    44    45    46  
   38    39    40    42    41    43  
   36    37  
   37  
    0  
   39    40    42    47    48    49    54    57    62    41    43  
   40    42    47    57    41  
   42    47    57    41  
   43    44    45    46    42  
   47    48    49    50    52    54    57    62    63    66    58  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    51    53    78    52    54    57    62  
   49    50    52    57  
   50    51    53    55    72    78    52    54    57    58    79  
   51    53    55    56    60    69    72    78    52    54  
   53    55    72    52  
   54    57    62    58    59    79    80    53    69    72    78  
   55    56    60    61    64    69    72    78    79    76  
   57    62    63    66    58    59    79    72    78  
   56    60    61    64    65    69    72    78  
   60    61    64    72  
   62    63    66    67    68    70    58    59    78  
   59    62    78  
    0  
   61    64    65    69    72    76  
   64    65    69  
   63    66    67    68    70    71    73  
   66    67    68    70  
   65    69    72    78    76    77  
   69    72    76  
   67    68    70    71    73    74    75  
   68    70    71    73  
   70    71    73  
   72    78    79    76    77  
   71    73    74    75  
   73    74    75  
   78    79    80    76    77  
   74    75  
   75  
    0  
   77    78  
    0  
   79    80  
   80  
    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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.005000   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   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   74   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   75   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.510
   42    47   469.000  1.400
   42    57   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    52   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    55   469.000  1.400
   53    72   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    72   469.000  1.400
   69    76   450.000  1.364
   72    78   469.000  1.400
   78    52   469.000  1.400
   78    79   450.000  1.364
   52    54   469.000  1.400
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    62   310.000  1.470
   62    63   570.000  1.229
   62    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   317.000  1.522
   70    71   570.000  1.229
   70    73   490.000  1.335
   73    74   434.000  1.010
   73    75   434.000  1.010
   58    59   553.000  0.945
   79    80   553.000  0.945
   76    77   553.000  0.945
   41    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    70.00000  112.17500
   33    41    43    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    47    70.00000  120.00000
   38    42    57    70.00000  120.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    47    48    35.00000  120.00000
   42    47    49    63.00000  120.00000
   42    57    54    63.00000  120.00000
   42    57    62    60.00000  119.52600
   47    49    50    63.00000  120.00000
   47    49    52    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    53    63.00000  120.00000
   49    52    78    63.00000  120.00000
   49    52    54    63.00000  120.00000
   50    53    55    63.00000  120.00000
   50    53    72    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    60    63.00000  120.00000
   53    72    69    63.00000  120.00000
   53    72    78    63.00000  120.00000
   55    60    61    35.00000  120.00000
   55    60    64    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    64    65    35.00000  120.00000
   60    64    69    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    69    72    63.00000  120.00000
   64    69    76    70.00000  120.00000
   69    64    65    35.00000  120.00000
   69    72    78    63.00000  120.00000
   69    76    77    35.00000  113.00000
   72    53    55    63.00000  120.00000
   72    78    52    63.00000  120.00000
   72    78    79    70.00000  120.00000
   78    52    54    63.00000  120.00000
   78    79    80    35.00000  113.00000
   52    49    50    63.00000  120.00000
   52    54    57    63.00000  120.00000
   52    54    58    70.00000  120.00000
   54    57    62    60.00000  119.52600
   54    58    59    35.00000  113.00000
   57    42    47    63.00000  120.00000
   57    62    63    75.00000  123.78400
   57    62    66    65.00000  115.47100
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    70    70.00000  107.85200
   66    62    63    80.00000  120.40000
   66    70    71    80.00000  120.40000
   66    70    73    70.00000  116.60000
   68    66    67    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    35.00000  109.50000
   70    73    74    35.00000  119.80000
   70    73    75    35.00000  119.80000
   73    70    71    80.00000  122.90000
   75    73    74    35.00000  120.00000
   58    54    57    70.00000  120.00000
   79    78    52    70.00000  120.00000
   76    69    72    70.00000  120.00000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  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   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    43   0.08500  1.0 1.0
   29    33    41    43  -0.53150 -1.0 2.0
   29    33    41    43   0.48050  1.0 3.0
   33    38    42    47   0.04150 -1.0 2.0
   33    38    42    57   0.04150 -1.0 2.0
   33    41    43    44   0.32350  1.0 3.0
   33    41    43    45   0.32350  1.0 3.0
   33    41    43    46   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42  -0.64350  1.0 1.0
   34    33    38    42  -0.04200 -1.0 2.0
   34    33    38    42   0.19800  1.0 3.0
   34    33    41    43   0.13850  1.0 1.0
   34    33    41    43  -1.34450 -1.0 2.0
   34    33    41    43   0.57400  1.0 3.0
   38    33    41    43   0.01700  1.0 1.0
   38    33    41    43  -0.23550 -1.0 2.0
   38    33    41    43   0.21350  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   38    42    57    54   3.62500 -1.0 2.0
   38    42    57    62   3.62500 -1.0 2.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    57   0.00000  1.0 1.0
   40    38    42    47   0.00000  1.0 1.0
   40    38    42    57   0.00000  1.0 1.0
   42    47    49    50   3.62500 -1.0 2.0
   42    47    49    52   3.62500 -1.0 2.0
   42    57    62    63   1.05000 -1.0 2.0
   42    57    62    66   2.26350  1.0 1.0
   42    57    62    66   0.76750 -1.0 2.0
   42    57    62    66   0.22500  1.0 3.0
   47    42    57    54   3.62500 -1.0 2.0
   47    42    57    62   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    53   3.62500 -1.0 2.0
   47    49    52    78   3.62500 -1.0 2.0
   47    49   -52    54   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    52   3.62500 -1.0 2.0
   49    50    53    55   3.62500 -1.0 2.0
   49    50    53    72   3.62500 -1.0 2.0
   49    52    54    57   3.62500 -1.0 2.0
   49    52    54    58   3.62500 -1.0 2.0
   50    49    52    78   3.62500 -1.0 2.0
   50    49    52    54   3.62500 -1.0 2.0
   50    53    55    56   3.62500 -1.0 2.0
   50    53    55    60   3.62500 -1.0 2.0
   50    53    72    69   3.62500 -1.0 2.0
   50    53   -72    78   3.62500 -1.0 2.0
   51    50    53    55   3.62500 -1.0 2.0
   51    50    53    72   3.62500 -1.0 2.0
   53    55    60    61   3.62500 -1.0 2.0
   53    55    60    64   3.62500 -1.0 2.0
   53    72    78    52   3.62500 -1.0 2.0
   53    72    78    79   3.62500 -1.0 2.0
   55    53    72    69   3.62500 -1.0 2.0
   55    53    72    78   3.62500 -1.0 2.0
   55    60    64    65   3.62500 -1.0 2.0
   55    60   -64    69   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    64   3.62500 -1.0 2.0
   60    64    69    72   3.62500 -1.0 2.0
   60    64    69    76   3.62500 -1.0 2.0
   61    60    64    65   3.62500 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   64    69   -72    53   3.62500 -1.0 2.0
   64    69    72    78   3.62500 -1.0 2.0
   64    69    76    77   0.84100 -1.0 2.0
   65    64    69    72   3.62500 -1.0 2.0
   65    64    69    76   3.62500 -1.0 2.0
   69    72    78    52   3.62500 -1.0 2.0
   69    72    78    79   3.62500 -1.0 2.0
   72    53    55    56   3.62500 -1.0 2.0
   72    53   -55    60   3.62500 -1.0 2.0
   72    69    76    77   0.84100 -1.0 2.0
   72    78   -52    49   3.62500 -1.0 2.0
   72    78    52    54   3.62500 -1.0 2.0
   72    78    79    80   0.84100 -1.0 2.0
   78    52    54    57   3.62500 -1.0 2.0
   78    52    54    58   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49   -50    53   3.62500 -1.0 2.0
   52    78    79    80   0.84100 -1.0 2.0
   52    54   -57    42   3.62500 -1.0 2.0
   52    54    57    62   3.62500 -1.0 2.0
   52    54    58    59   0.84100 -1.0 2.0
   54    57    62    63   1.05000 -1.0 2.0
   54    57    62    66   2.26350  1.0 1.0
   54    57    62    66   0.76750 -1.0 2.0
   54    57    62    66   0.22500  1.0 3.0
   57    42    47    48   3.62500 -1.0 2.0
   57    42   -47    49   3.62500 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    62    66    67   0.00000  1.0 1.0
   57    62    66    68   0.00000  1.0 1.0
   57    62    66    70   0.65300  1.0 1.0
   57    62    66    70  -0.03850 -1.0 2.0
   57    62    66    70   0.33900  1.0 3.0
   62    66    70    71   0.30150 -1.0 2.0
   62    66    70    73   0.00000  1.0 1.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   63    62    66    70   0.30150 -1.0 2.0
   66    70    73    74   2.45000 -1.0 2.0
   66    70    73    75   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   68    66    70    71   0.00000  1.0 1.0
   68    66    70    73   0.00000  1.0 1.0
   71    70    73    74   2.45000 -1.0 2.0
   71    70    73    75   2.45000 -1.0 2.0
   58    54    57    42   3.62500 -1.0 2.0
   58    54    57    62   3.62500 -1.0 2.0
   79    78    52    49   3.62500 -1.0 2.0
   79    78    52    54   3.62500 -1.0 2.0
   76    69    72    53   3.62500 -1.0 2.0
   76    69    72    78   3.62500 -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
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
   47    57    42    38   4.00000 -1.0 2.0
   49    48    47    42   1.10000 -1.0 2.0
   50    52    49    47   4.00000 -1.0 2.0
   53    51    50    49   1.10000 -1.0 2.0
   55    72    53    50   4.00000 -1.0 2.0
   60    56    55    53   1.10000 -1.0 2.0
   64    61    60    55   1.10000 -1.0 2.0
   69    65    64    60   1.10000 -1.0 2.0
   72    76    69    64   4.00000 -1.0 2.0
   69    78    72    53   4.00000 -1.0 2.0
   52    79    78    72   4.00000 -1.0 2.0
   78    54    52    49   4.00000 -1.0 2.0
   57    58    54    52   4.00000 -1.0 2.0
   54    62    57    42   4.00000 -1.0 2.0
   57    66    62    63  10.50000 -1.0 2.0
   66    73    70    71  10.50000 -1.0 2.0
   75    70    73    74   1.00000 -1.0 2.0
END
