* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    143    245     433
    1     0 S   NP   _N1_     1    28.89385    94.76429   -19.26931
    2     1 S   H    _HN1     2     1.02980    98.56745    44.44622
    3     1 S   H    _H1_     3     1.02831    33.56235   152.35294
    4     1 S   H    _H2_     4     1.02771    80.51217   -62.86523
    5     1 S   CT   _CA1     5     1.50194   141.35169  -176.87588
    6     5 S   HC   _HA1     6     1.09580   105.18847    41.48256
    7     5 S   CO3  _C1_     7     1.53789   112.37327   -78.44833
    8     7 S   O2Z  _O11     8     1.26359   114.97775   -40.91033
    9     7 S   O2Z  _O12     9     1.26246   114.92820   138.03932
   10     5 S   CT   _CB1    10     1.53060   107.29849   159.19576
   11    10 S   HC   HB11    11     1.09818   109.10281   -51.64391
   12    10 S   HC   HB12    12     1.09781   110.43596    64.68191
   13    10 S   CT   _CG1    13     1.53014   112.94525  -172.91942
   14    13 S   HC   HG11    14     1.09535   110.33866   -63.27400
   15    13 S   HC   HG12    15     1.09629   110.20036    55.83081
   16    13 S   C    _CD1    16     1.51839   112.03758   175.61336
   17    16 S   O    _OE1    17     1.22761   123.03927   -16.41060
   18    16 S   N    _N2_    18     1.38596   111.93505   164.91699
   19    18 S   H    _HN2    19     1.01597   119.00871    -0.56371
   20    18 S   CT1  _CA2    20     1.46284   123.38621   179.83687
   21    20 S   HC   _HA2    21     1.09744   109.19525   -18.47614
   22    20 S   C    _C2_    22     1.53424   108.16758  -134.01491
   23    22 S   O    _O2_    23     1.23003   122.31927  -145.69358
   24    20 S   CT   _CB2    32     1.53449   111.64947   103.75107
   25    24 S   HC   HB21    33     1.09483   109.94654    55.64864
   26    24 S   HC   HB22    34     1.09528   110.54170   173.64658
   27    22 S   N    _N3_    24     1.38536   113.28482    41.66384
   28    27 S   H    _HN3    25     1.01536   118.90566    -0.52002
   29    24 S   S    _SG2    35     1.82810   111.73832   -67.69577
   30    27 S   CT   _CA3    26     1.45447   123.43179   175.15532
   31    30 S   HC   HA31    27     1.09524   109.21250    24.72747
   32    30 S   HC   HA32    28     1.09495   107.12283   141.72784
   33    29 S   CT   _C21    36     1.84990   100.31797   139.63483
   34    33 S   HC   _H5_    37     1.09343   107.98370    38.51180
   35    30 S   CO3  _C3_    29     1.52928   113.15429   -98.73520
   36    35 S   O2Z  _O31    30     1.26400   115.42935   -43.90276
   37    35 S   O2Z  _O32    31     1.26358   114.96863   137.05113
   38    33 S   CT   _C22    38     1.52593   110.27214   -76.10656
   39    38 S   HC   _H13    39     1.09658   110.85306   170.81669
   40    38 S   HC   _H14    40     1.09577   111.08374    52.46133
   41    38 S   CO4  _C23    41     1.50112   112.31107   -68.98269
   42    41 S   O    _O35    42     1.22794   120.21068   153.28980
   43    41 S   CA   _C14    43     1.48945   118.79962   -29.52800
   44    43 S   CR3  _C15    44     1.42431   120.43769    -0.00000
   45    44 S   CA   _C10    45     1.42201   120.37713  -174.76120
   46    33 S   CT   _C16    72     1.55901   113.23043   159.72020
   47    45 S   CA   _C11    46     1.41553   116.54528    -3.72426
   48    47 S   HA   _H8_    47     1.08749   121.36450  -177.25191
   49    45 S   CA   _C9_    53     1.43175   121.43295   174.86092
   50    46 S   OH   _O36    73     1.44368   106.11123  -174.23564
   51    50 S   HO   _H15    74     0.97247   108.94488  -152.37410
   52    47 S   CA   _C12    48     1.39257   122.90455     1.22780
   53    52 S   HA   _H9_    49     1.08686   119.61593  -179.60534
   54    49 S   CA   _C4_    54     1.41625   121.89807  -163.66922
   55    54 S   HA   _H6_    55     1.08746   121.41625     0.82424
   56    43 S   CA   _C13    50     1.40046   119.34234  -178.58986
   57    54 S   CA   _C5_    56     1.39282   122.91518   178.32626
   58    57 S   HA   _H7_    57     1.08679   119.67051  -179.08957
   59    56 S   OH   _O37    51     1.36767   124.59407    -2.35875
   60    59 S   HO   _H16    52     0.97494   109.85237     4.14562
   61    57 S   CA   _C6_    58     1.38229   119.71031     0.87357
   62    61 S   CA   _C7_    59     1.40038   120.05058     0.20748
   63    61 S   OH   _O38    75     1.36800   115.69394   179.36665
   64    63 S   HO   _H17    76     0.97358   109.07369   178.80712
   65    49 S   CR3  _C8_    60     1.42170   121.51119    15.23887
   66    65 S   CT   _C17    61     1.53580   118.01564     5.25736
   67    66 S   HC   _H3_    62     1.09919   104.66044    80.54981
   68    66 S   CT   _C18    63     1.54974   110.92915  -163.48232
   69    68 S   HC   _H4_    64     1.09702   110.31287    71.69436
   70    68 S   CT   _C19    65     1.51627   111.04042   -50.39887
   71    70 S   HC   _H10    66     1.09643   111.78934   -61.66387
   72    70 S   HC   _H11    67     1.09698   109.54247  -179.71676
   73    68 S   OH   _O34    70     1.42380   111.26748  -168.14140
   74    73 S   HO   _H12    71     0.97277   107.87888  -175.52447
   75    62 S   CO4  _C20    68     1.48564   119.35569   176.76505
   76    75 S   O    _O33    69     1.22766   121.25053     9.48162
  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
  16   8   2   1   1  10   5   4   8   3  12  15  14  13   8   4
  12   5   1   4   2   8   4   2   7   3   1   1   8  11   3   1
   8   9   4   8   6   6   4   3   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    66    46    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    65    66    67    68    46    50    51  
   38    39    40    41    44    66    46    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    56    66    46    50  
   40    41    42    43    46  
   41    42    43    46  
   42    43    44    45    52    56    59    46  
   43    44    56  
   44    45    47    52    53    56    59    60    49    66    46    50  
   45    47    48    52    56    59    49    54    65    66    67    68    46    50    51  
   47    48    52    53    56    49    54    55    57    62    65    66    46    50  
   50    51    47    49    56    62    65    66    67    68    69    70    73  
   48    52    53    56    59    49    54    65  
   52    53    56    49  
   54    55    57    58    61    62    65    66    67    68    75    52  
   51    65    66    67    68  
   66  
   53    56    59    60  
   56    59  
   55    57    58    61    62    65    66    63  
   57    58    61    65  
   59    60  
   58    61    62    65    75    63    64  
   61    62    63  
   60  
    0  
   62    65    66    70    75    76    63    64  
   65    66    67    68    70    71    72    75    76    63    64  
   64    65    75  
    0  
   66    67    68    69    70    75    76    73  
   67    68    69    70    71    72    75    73    74  
   68    69    70    73  
   69    70    71    72    75    76    73    74  
   70    71    72    75    73    74  
   71    72    75    76    73    74  
   72    75    76    73  
   75    76    73  
   74    75  
    0  
   76  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   310.000  1.470
   43    44   490.000  1.398
   43    56   469.000  1.400
   44    45   490.000  1.398
   44    46   317.000  1.510
   45    47   469.000  1.400
   45    49   375.000  1.464
   47    48   367.000  1.080
   47    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    59   450.000  1.364
   59    60   553.000  0.945
   49    54   469.000  1.400
   49    65   490.000  1.398
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    65   490.000  1.398
   62    75   310.000  1.470
   65    66   317.000  1.510
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    46   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   317.000  1.522
   75    76   570.000  1.229
   73    74   553.000  0.945
   46    50   320.000  1.410
   50    51   553.000  0.945
   63    64   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    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    46    44    70.00000  112.17500
   33    46    66    58.35000  112.70000
   33    46    50    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  115.47100
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    60.00000  119.52600
   41    43    56    60.00000  119.52600
   43    41    42    75.00000  123.78400
   43    44    45    60.00000  130.80000
   43    44    46    70.00000  120.00000
   43    56    52    63.00000  120.00000
   43    56    59    70.00000  120.00000
   44    45    47    70.00000  112.88000
   44    45    49    60.00000  122.76000
   44    46    66    70.00000  112.17500
   44    46    50    90.00000  112.51600
   45    47    48    35.00000  120.00000
   45    47    52    63.00000  120.00000
   45    49    54    60.00000  122.76000
   45    49    65    60.00000  122.76000
   47    52    53    35.00000  120.00000
   47    52    56    63.00000  120.00000
   52    47    48    35.00000  120.00000
   52    56    59    70.00000  120.00000
   56    43    44    70.00000  112.88000
   56    52    53    35.00000  120.00000
   56    59    60    35.00000  113.00000
   49    45    47    60.00000  122.76000
   49    54    55    35.00000  120.00000
   49    54    57    63.00000  120.00000
   49    65    62    60.00000  130.80000
   49    65    66    70.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    61    62    63.00000  120.00000
   57    61    63    70.00000  120.00000
   61    57    58    35.00000  120.00000
   61    62    65    70.00000  112.88000
   61    62    75    60.00000  119.52600
   61    63    64    35.00000  113.00000
   62    65    66    70.00000  120.00000
   62    75    70    65.00000  115.47100
   62    75    76    75.00000  123.78400
   65    49    54    70.00000  112.88000
   65    66    67    35.00000  109.50000
   65    66    68    70.00000  112.17500
   65    66    46    70.00000  112.17500
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    73    50.00000  109.50000
   66    46    50    50.00000  109.50000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    75    63.00000  111.10000
   68    73    74    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    75    76    80.00000  120.40000
   72    70    71    33.00000  107.80000
   75    62    65    60.00000  119.52600
   75    70    71    35.00000  109.50000
   75    70    72    35.00000  109.50000
   73    68    69    35.00000  109.50000
   73    68    70    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    44    45    70.00000  120.00000
   46    66    67    37.50000  110.70000
   46    66    68    58.35000  112.70000
   46    50    51    55.00000  108.50000
   63    61    62    70.00000  120.00000
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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    66   0.44750  1.0 1.0
   29    33    46    66  -0.17800 -1.0 2.0
   29    33    46    66   0.20200  1.0 3.0
   29    33    46    50   0.56750  1.0 1.0
   29    33    46    50  -0.07550 -1.0 2.0
   29    33    46    50   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.05850 -1.0 2.0
   33    38    41    43   0.17250  1.0 3.0
   33    46    50    51  -0.11600  1.0 1.0
   33    46    50    51  -0.09450 -1.0 2.0
   33    46    50    51   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    41  -0.11250  1.0 3.0
   34    33    46    44   0.43200  1.0 3.0
   34    33    46    66   0.15000  1.0 3.0
   34    33    46    50   0.23400  1.0 3.0
   38    33    46    44  -0.03700  1.0 1.0
   38    33    46    44   0.37200 -1.0 2.0
   38    33    46    44  -0.47300  1.0 3.0
   38    33    46    66   0.56750  1.0 1.0
   38    33    46    66  -0.07550 -1.0 2.0
   38    33    46    66   0.20000  1.0 3.0
   38    33    46    50   0.86500  1.0 1.0
   38    33    46    50  -0.17500 -1.0 2.0
   38    33    46    50   0.20800  1.0 3.0
   38    41   -43    44   2.26350  1.0 1.0
   38    41   -43    44   0.76750 -1.0 2.0
   38    41   -43    44   0.22500  1.0 3.0
   38    41    43    56   2.26350  1.0 1.0
   38    41    43    56   0.76750 -1.0 2.0
   38    41    43    56   0.22500  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45   3.62500 -1.0 2.0
   41    43    44    46   3.62500 -1.0 2.0
   41    43    56    52   3.62500 -1.0 2.0
   41    43    56    59   3.62500 -1.0 2.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    56   1.05000 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    45    49   3.62500 -1.0 2.0
   43    44   -46    33   0.04150 -1.0 2.0
   43    44    46    66   0.04150 -1.0 2.0
   43    44    46    50   0.14300 -1.0 2.0
   43    44    46    50   0.00300  1.0 3.0
   43    56    59    60   0.84100 -1.0 2.0
   44    43    56    52   3.62500 -1.0 2.0
   44    43    56    59   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45   -47    52   3.62500 -1.0 2.0
   44    45    49    54  -0.19450  1.0 1.0
   44    45    49    54   0.63300 -1.0 2.0
   44    45    49    54   0.07450  1.0 3.0
   44    45    49    65  -0.19450  1.0 1.0
   44    45    49    65   0.63300 -1.0 2.0
   44    45    49    65   0.07450  1.0 3.0
   44    46    50    51   0.31900  1.0 1.0
   44    46    50    51  -0.11800 -1.0 2.0
   44    46    50    51   0.38750  1.0 3.0
   45    44    46    33   0.04150 -1.0 2.0
   45    44    46    66   0.04150 -1.0 2.0
   45    44    46    50   0.14300 -1.0 2.0
   45    44    46    50   0.00300  1.0 3.0
   45    47    52    53   3.62500 -1.0 2.0
   45    47    52    56   3.62500 -1.0 2.0
   45    49    54    55   3.62500 -1.0 2.0
   45    49    54    57   3.62500 -1.0 2.0
   45    49    65    62   3.62500 -1.0 2.0
   45    49   -65    66   3.62500 -1.0 2.0
   47    45    49    54  -0.19450  1.0 1.0
   47    45    49    54   0.63300 -1.0 2.0
   47    45    49    54   0.07450  1.0 3.0
   47    45    49    65  -0.19450  1.0 1.0
   47    45    49    65   0.63300 -1.0 2.0
   47    45    49    65   0.07450  1.0 3.0
   47    52   -56    43   3.62500 -1.0 2.0
   47    52    56    59   3.62500 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    56   3.62500 -1.0 2.0
   52    56    59    60   0.84100 -1.0 2.0
   53    52    56    43   3.62500 -1.0 2.0
   53    52    56    59   3.62500 -1.0 2.0
   56    43   -44    45   3.62500 -1.0 2.0
   56    43    44    46   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    52   3.62500 -1.0 2.0
   49    54    57    58   3.62500 -1.0 2.0
   49    54    57    61   3.62500 -1.0 2.0
   49    65    66    67   0.00000  1.0 1.0
   49    65    66    68   0.04150 -1.0 2.0
   49    65    66    46   0.04150 -1.0 2.0
   54    49    65    62   3.62500 -1.0 2.0
   54    49    65    66   3.62500 -1.0 2.0
   54    57   -61    62   3.62500 -1.0 2.0
   54    57    61    63   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   57    61    62    65   3.62500 -1.0 2.0
   57    61    62    75   3.62500 -1.0 2.0
   57    61    63    64   0.84100 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    63   3.62500 -1.0 2.0
   61    62   -65    49   3.62500 -1.0 2.0
   61    62    65    66   3.62500 -1.0 2.0
   61    62    75    70   2.26350  1.0 1.0
   61    62    75    70   0.76750 -1.0 2.0
   61    62    75    70   0.22500  1.0 3.0
   61    62    75    76   1.05000 -1.0 2.0
   62    61    63    64   0.84100 -1.0 2.0
   62    65    66    67   0.00000  1.0 1.0
   62    65    66    68   0.04150 -1.0 2.0
   62    65    66    46   0.04150 -1.0 2.0
   65    49    54    55   3.62500 -1.0 2.0
   65    49   -54    57   3.62500 -1.0 2.0
   65    62    75    70   2.26350  1.0 1.0
   65    62    75    70   0.76750 -1.0 2.0
   65    62    75    70   0.22500  1.0 3.0
   65    62    75    76   1.05000 -1.0 2.0
   65    66    68    69   0.43200  1.0 3.0
   65    66   -68    70  -0.03700  1.0 1.0
   65    66   -68    70   0.37200 -1.0 2.0
   65    66   -68    70  -0.47300  1.0 3.0
   65    66    68    73   1.13150  1.0 1.0
   65    66    68    73  -1.01400 -1.0 2.0
   65    66    46    33  -0.03700  1.0 1.0
   65    66    46    33   0.37200 -1.0 2.0
   65    66    46    33  -0.47300  1.0 3.0
   65    66   -46    44  -0.94300  1.0 1.0
   65    66   -46    44   1.32550 -1.0 2.0
   65    66   -46    44  -0.07100  1.0 3.0
   65    66    46    50   1.13150  1.0 1.0
   65    66    46    50  -1.01400 -1.0 2.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    72   0.15000  1.0 3.0
   66    68    70    75  -0.95700  1.0 1.0
   66    68    70    75  -0.18200 -1.0 2.0
   66    68    70    75   0.29450  1.0 3.0
   66    68    73    74  -0.11600  1.0 1.0
   66    68    73    74  -0.09450 -1.0 2.0
   66    68    73    74   0.21250  1.0 3.0
   66    46    50    51  -0.11600  1.0 1.0
   66    46    50    51  -0.09450 -1.0 2.0
   66    46    50    51   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    73   0.23400  1.0 3.0
   67    66    46    33   0.15000  1.0 3.0
   67    66    46    44   0.43200  1.0 3.0
   67    66    46    50   0.23400  1.0 3.0
   68    66    46    33   0.56750  1.0 1.0
   68    66    46    33  -0.07550 -1.0 2.0
   68    66    46    33   0.20000  1.0 3.0
   68    66    46    44  -0.03700  1.0 1.0
   68    66    46    44   0.37200 -1.0 2.0
   68    66    46    44  -0.47300  1.0 3.0
   68    66    46    50   0.86500  1.0 1.0
   68    66    46    50  -0.17500 -1.0 2.0
   68    66    46    50   0.20800  1.0 3.0
   68    70   -75    62   0.05850 -1.0 2.0
   68    70   -75    62   0.17250  1.0 3.0
   68    70    75    76   0.30150 -1.0 2.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    75  -0.11250  1.0 3.0
   69    68    73    74   0.19450  1.0 3.0
   70    68    73    74  -0.11600  1.0 1.0
   70    68    73    74  -0.09450 -1.0 2.0
   70    68    73    74   0.21250  1.0 3.0
   71    70    75    62   0.00000  1.0 1.0
   71    70    75    76   0.00000  1.0 1.0
   72    70    75    62   0.00000  1.0 1.0
   72    70    75    76   0.00000  1.0 1.0
   75    62    65    49   3.62500 -1.0 2.0
   75    62   -65    66   3.62500 -1.0 2.0
   73    68    70    71   0.23400  1.0 3.0
   73    68    70    72   0.23400  1.0 3.0
   73    68    70    75  -0.09450  1.0 1.0
   73    68    70    75  -1.12950 -1.0 2.0
   73    68    70    75   0.54000  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41  -0.95700  1.0 1.0
   46    33   -38    41  -0.18200 -1.0 2.0
   46    33   -38    41   0.29450  1.0 3.0
   46    44    45    47   3.62500 -1.0 2.0
   46    44   -45    49   3.62500 -1.0 2.0
   46    66    68    69   0.15000  1.0 3.0
   46    66    68    70   0.56750  1.0 1.0
   46    66    68    70  -0.07550 -1.0 2.0
   46    66    68    70   0.20000  1.0 3.0
   46    66    68    73   0.86500  1.0 1.0
   46    66    68    73  -0.17500 -1.0 2.0
   46    66    68    73   0.20800  1.0 3.0
   63    61    62    65   3.62500 -1.0 2.0
   63    61    62    75   3.62500 -1.0 2.0
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
   38    43    41    42  10.50000 -1.0 2.0
   44    56    43    41   4.00000 -1.0 2.0
   45    46    44    43   4.00000 -1.0 2.0
   47    49    45    44   4.00000 -1.0 2.0
   52    48    47    45   1.10000 -1.0 2.0
   56    53    52    47   1.10000 -1.0 2.0
   52    59    56    43   4.00000 -1.0 2.0
   54    65    49    45   4.00000 -1.0 2.0
   57    55    54    49   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   62    63    61    57   4.00000 -1.0 2.0
   65    75    62    61   4.00000 -1.0 2.0
   62    66    65    49   4.00000 -1.0 2.0
   62    70    75    76  10.50000 -1.0 2.0
END
