* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    141    230     421
    1     0 S   NP   _N1_     1    29.50100    97.06201   -26.04413
    2     1 S   H    _HN1     2     1.02944    68.74436    -8.07796
    3     1 S   H    _H1_     3     1.02823    40.30887  -169.18810
    4     1 S   H    _H2_     4     1.02804   131.97808  -104.13030
    5     1 S   CT   _CA1     5     1.50138   113.34932    95.79028
    6     5 S   HC   _HA1     6     1.09574   105.13245   102.85567
    7     5 S   CO3  _C1_     7     1.53747   112.52237   -17.35298
    8     7 S   O2Z  _O11     8     1.26383   114.99961   -41.43452
    9     7 S   O2Z  _O12     9     1.26232   114.94091   137.53050
   10     5 S   CT   _CB1    10     1.53038   107.39313  -139.15395
   11    10 S   HC   HB11    11     1.09853   109.29494   -48.90975
   12    10 S   HC   HB12    12     1.09811   110.48395    67.65978
   13    10 S   CT   _CG1    13     1.53067   112.69700  -169.81103
   14    13 S   HC   HG11    14     1.09554   110.86205   -69.42063
   15    13 S   HC   HG12    15     1.09661   109.60729    49.84486
   16    13 S   C    _CD1    16     1.51813   111.58526   170.46228
   17    16 S   O    _OE1    17     1.22786   122.99220    20.12207
   18    16 S   N    _N2_    18     1.38628   112.09051  -159.84047
   19    18 S   H    _HN2    19     1.01570   119.03030     0.30132
   20    18 S   CT1  _CA2    20     1.46201   123.29352   175.12661
   21    20 S   HC   _HA2    21     1.09739   109.25537    10.18808
   22    20 S   C    _C2_    22     1.53781   108.97046  -105.33937
   23    22 S   O    _O2_    23     1.23105   122.18733  -149.23019
   24    20 S   CT   _CB2    32     1.53285   111.74530   132.26747
   25    24 S   HC   HB21    33     1.09587   110.15907    56.45025
   26    24 S   HC   HB22    34     1.09434   109.76112   175.41905
   27    22 S   N    _N3_    24     1.38283   113.95907    38.24316
   28    27 S   H    _HN3    25     1.01517   119.64633    -2.95996
   29    24 S   S    _SG2    35     1.82644   111.71504   -64.61121
   30    27 S   CT   _CA3    26     1.45279   123.39411   177.38080
   31    30 S   HC   HA31    27     1.09544   107.49711   -65.44530
   32    30 S   HC   HA32    28     1.09553   108.03228    51.04207
   33    29 S   CT   _C16    36     1.85079    99.45225   176.38865
   34    33 S   HC   _H5_    37     1.09695   106.46826   -45.72484
   35    30 S   CO3  _C3_    29     1.53009   113.97762   173.04670
   36    35 S   O2Z  _O31    30     1.26398   116.08365    -0.62244
   37    35 S   O2Z  _O32    31     1.26423   114.42002   179.43907
   38    33 S   CM   _C12    38     1.52492   109.59340    74.18788
   39    38 S   CT   _C13    39     1.51777   113.63999    72.45581
   40    39 S   HC   _H13    40     1.09232   112.80496   173.05310
   41    39 S   HC   _H14    41     1.09789   108.21341   -71.17198
   42    38 S   CM   _C11    54     1.34680   119.60046  -110.15099
   43    42 S   HC   _H12    55     1.08551   118.82411     2.71750
   44    39 S   CT1  _C14    42     1.53414   112.55766    49.17181
   45    44 S   HC   _H3_    43     1.09821   107.10048  -165.97336
   46    42 S   CG   _C10    56     1.47927   124.26061  -176.72912
   47    46 S   HC   _H11    57     1.09674   116.98725     8.41363
   48    44 S   NT   _N5_    44     1.47584   112.30954   -48.58113
   49    48 S   H    _H15    45     1.02277   109.33376   175.21022
   50    44 S   CO3  _C18    51     1.55002   116.05800    77.01730
   51    50 S   O2Z  _O38    52     1.26381   116.15766    -0.69577
   52    50 S   O2Z  _O37    53     1.26619   114.91669   177.73039
   53    46 S   NIP  _N4_    58     1.29188   124.39181  -170.98073
   54    33 S   CT1  _C15    46     1.54286   113.28841  -164.08421
   55    54 S   HC   _H4_    47     1.10023   108.02076   174.55543
   56    53 S   CA   _C6_    59     1.40367   121.80613   177.83581
   57    53 S   CT1  _C19    70     1.50904   129.48896     4.59047
   58    57 S   HC   _H6_    71     1.09644   108.74944    38.93101
   59    54 S   CO3  _C17    48     1.55179   116.06739    58.81298
   60    59 S   O2Z  _O36    49     1.26521   115.50699    23.56278
   61    59 S   O2Z  _O35    50     1.26593   115.97364  -159.36149
   62    56 S   CA   _C7_    60     1.38854   128.85114    17.50761
   63    62 S   HA   _H8_    61     1.08420   122.35017     0.23155
   64    57 S   CO3  _C21    72     1.53851   108.40306   -82.04618
   65    64 S   O2Z  _O40    73     1.26293   116.29964   -70.02156
   66    64 S   O2Z  _O39    74     1.26426   114.41160   110.31211
   67    62 S   CA   _C8_    62     1.39781   117.60123   179.50189
   68    67 S   CA   _C9_    63     1.40257   120.99234    -0.26393
   69    67 S   OH   _O34    77     1.36917   120.15483   179.87489
   70    69 S   HO   _H10    78     0.97217   108.93756     0.90914
   71    68 S   CA   _C4_    64     1.39564   120.78042    -0.37898
   72    71 S   HA   _H7_    65     1.08496   121.44540  -179.70064
   73    68 S   OH   _O33    75     1.36839   119.00295   179.82196
   74    73 S   HO   _H9_    76     0.97213   108.77979   179.32016
   75    56 S   CA   _C5_    66     1.39470   109.66252  -164.10876
   76    75 S   CT   _C20    67     1.49413   111.45340     0.82448
   77    76 S   HC   _H16    68     1.09608   109.41805   106.27407
   78    76 S   HC   _H17    69     1.09449   112.08399  -132.58129
  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   9   5   4   3
  16   7   2   1   1  15  13   6   5   8   3   9   6   9   3   9
   4   3   1   1  14   4   3  14  10   7   2   1   1   9   4   6
   2   1   8   8   3   1   7   3   2   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    55    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    55    59    60    61    42    43    46  
   38    39    48    54    55    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    55    59    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    56    57    44    54  
   46    47    53  
   45    48    49    54    55    59    50    51    52  
   48    49    54    50    51    52  
   47    53    56    62    75    76    57    58    64  
   53    56    57  
   49    54    55    59    60    61    50    51    52  
   54    55    59    50  
   51    52    54  
   52  
    0  
   56    62    63    67    71    75    76    77    78    57    58    64    65    66  
   55    59    60    61  
   59    60    61  
   62    63    67    68    71    72    75    76    77    78    57    58    64    69  
   58    64    65    66    62    71    75    76    77    78  
   64    65    66    75    76    77    78  
   60    61  
   61  
    0  
   63    67    68    71    75    76    73    69    70  
   67    68    75    69  
   65    66    75    76    77    78  
   66    76  
   76  
   68    71    72    75    73    74    69    70  
   71    72    75    76    73    74    69    70  
   70    71    73  
    0  
   72    75    76    77    78    73    74  
   75    76    73  
   74    75  
    0  
   76    77    78  
   77    78  
   78  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700   0.218500   2.2900   2.0360   0.003973653   1.685851020
   54   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   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   317.000  1.510
   33    54   268.000  1.529
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   305.000  1.457
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   305.000  1.457
   54    55   340.000  1.090
   54    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    56   340.000  1.432
   53    57   280.000  1.462
   56    62   469.000  1.400
   56    75   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    71   469.000  1.400
   68    73   450.000  1.364
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    57   268.000  1.529
   57    58   340.000  1.090
   57    64   317.000  1.522
   64    65   656.000  1.250
   64    66   656.000  1.250
   73    74   553.000  0.945
   69    70   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  112.20000
   29    33    54    75.00000  108.68000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    80.00000  111.22000
   33    54    55    37.50000  110.70000
   33    54    59    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.22000
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    50.00000  111.55300
   44    48    54    51.80000  107.20000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  109.55000
   48    54    55    50.00000  109.55000
   48    54    59    75.00000  111.54000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    48    49    50.00000  111.55300
   54    59    60    70.00000  117.00000
   54    59    61    70.00000  117.00000
   59    54    55    35.00000  109.50000
   61    59    60    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  111.54000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    56    65.00000  127.86000
   46    53    57    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    56    62    70.00000  116.83300
   53    56    75    70.00000  116.83300
   53    57    76    75.00000  111.57000
   53    57    58    50.00000  106.46400
   53    57    64    75.00000  110.00000
   56    62    63    35.00000  120.00000
   56    62    67    63.00000  120.00000
   56    75    71    63.00000  120.00000
   56    75    76    70.00000  120.00000
   62    67    68    63.00000  120.00000
   62    67    69    70.00000  120.00000
   67    62    63    35.00000  120.00000
   67    68    71    63.00000  120.00000
   67    68    73    70.00000  120.00000
   67    69    70    35.00000  113.00000
   68    71    72    35.00000  120.00000
   68    71    75    63.00000  120.00000
   68    73    74    35.00000  113.00000
   71    75    76    70.00000  120.00000
   75    56    62    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    57    63.00000  114.00000
   76    57    58    37.50000  110.70000
   76    57    64    63.00000  111.10000
   78    76    77    33.00000  107.80000
   57    53    56    70.00000  121.00000
   57    76    77    37.50000  110.70000
   57    76    78    37.50000  110.70000
   57    64    65    70.00000  117.00000
   57    64    66    70.00000  117.00000
   64    57    58    35.00000  109.50000
   66    64    65    80.00000  126.00000
   73    68    71    70.00000  120.00000
   69    67    68    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59  -2.17200  1.0 1.0
   29    33    54    59  -0.85700 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    59    60   0.00000  1.0 1.0
   33    54    59    61   0.00000  1.0 1.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    59  -0.03800  1.0 3.0
   38    33    54    48   0.59950  1.0 1.0
   38    33    54    48  -0.21400 -1.0 2.0
   38    33    54    48   0.56200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    59  -0.98800  1.0 1.0
   38    33    54    59   0.48800 -1.0 2.0
   38    33    54    59   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.59950  1.0 1.0
   38    39   -44    48  -0.21400 -1.0 2.0
   38    39   -44    48   0.56200  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49  -0.15950  1.0 1.0
   39    44    48    49   0.34650 -1.0 2.0
   39    44    48    49   0.05750  1.0 3.0
   39    44    48    54   0.23450  1.0 1.0
   39    44    48    54   0.02050 -1.0 2.0
   39    44    48    54   0.25250  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   0.23450  1.0 1.0
   44    48   -54    33   0.02050 -1.0 2.0
   44    48   -54    33   0.25250  1.0 3.0
   44    48    54    55   0.28000  1.0 3.0
   44    48    54    59  -1.76800  1.0 1.0
   44    48    54    59   1.02600 -1.0 2.0
   44    48    54    59   0.19700  1.0 3.0
   45    44    48    49   0.20000  1.0 3.0
   45    44    48    54   0.28000  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    54    59    60   0.30150 -1.0 2.0
   48    54    59    61   0.30150 -1.0 2.0
   49    48    54    33  -0.15950  1.0 1.0
   49    48    54    33   0.34650 -1.0 2.0
   49    48    54    33   0.05750  1.0 3.0
   49    48    54    55   0.20000  1.0 3.0
   49    48    54    59   0.21900  1.0 1.0
   49    48    54    59  -0.24900 -1.0 2.0
   49    48    54    59   0.15200  1.0 3.0
   54    33   -38    39   0.46850  1.0 1.0
   54    33   -38    39   0.08550 -1.0 2.0
   54    33   -38    39   0.09800  1.0 3.0
   54    33    38    42   0.09850  1.0 1.0
   54    33    38    42   0.15250 -1.0 2.0
   54    33    38    42  -0.50650  1.0 3.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   50    44    48    49   0.21900  1.0 1.0
   50    44    48    49  -0.24900 -1.0 2.0
   50    44    48    49   0.15200  1.0 3.0
   50    44    48    54  -1.76800  1.0 1.0
   50    44    48    54   1.02600 -1.0 2.0
   50    44    48    54   0.19700  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    56   2.00000 -1.0 2.0
   42    46    53    57   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    56    62   1.00000 -1.0 2.0
   46    53    56    75   1.00000 -1.0 2.0
   46    53    57    76   0.00000  1.0 1.0
   46    53    57    58  -0.22200  1.0 3.0
   46    53    57    64   0.00000  1.0 1.0
   47    46    53    56   2.00000 -1.0 2.0
   47    46    53    57   2.00000 -1.0 2.0
   53    56    62    63   3.62500 -1.0 2.0
   53    56    62    67   3.62500 -1.0 2.0
   53    56    75    71   3.62500 -1.0 2.0
   53    56   -75    76   3.62500 -1.0 2.0
   53    57    64    65   0.30150 -1.0 2.0
   53    57    64    66   0.30150 -1.0 2.0
   56    53   -57    76   0.00000  1.0 1.0
   56    53    57    58   0.00000  1.0 1.0
   56    53    57    64   0.00000  1.0 1.0
   56    62    67    68   3.62500 -1.0 2.0
   56    62    67    69   3.62500 -1.0 2.0
   56    75    76    77   0.00000  1.0 1.0
   56    75    76    78   0.00000  1.0 1.0
   56    75   -76    57   0.00000  1.0 1.0
   62    56    75    71   3.62500 -1.0 2.0
   62    56    75    76   3.62500 -1.0 2.0
   62    67   -68    71   3.62500 -1.0 2.0
   62    67    68    73   3.62500 -1.0 2.0
   62    67    69    70   0.84100 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   63    62    67    69   3.62500 -1.0 2.0
   67    68    71    72   3.62500 -1.0 2.0
   67    68    71    75   3.62500 -1.0 2.0
   67    68    73    74   0.84100 -1.0 2.0
   68    67    69    70   0.84100 -1.0 2.0
   68    71   -75    56   3.62500 -1.0 2.0
   68    71    75    76   3.62500 -1.0 2.0
   71    68    73    74   0.84100 -1.0 2.0
   71    75    76    77   0.00000  1.0 1.0
   71    75    76    78   0.00000  1.0 1.0
   71    75    76    57   0.00000  1.0 1.0
   72    71    75    56   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   75    56    62    63   3.62500 -1.0 2.0
   75    56   -62    67   3.62500 -1.0 2.0
   75    76   -57    53   0.56750  1.0 1.0
   75    76   -57    53  -0.07550 -1.0 2.0
   75    76   -57    53   0.20000  1.0 3.0
   75    76    57    58   0.23100  1.0 3.0
   75    76    57    64  -0.84850  1.0 1.0
   75    76    57    64  -0.22800 -1.0 2.0
   75    76    57    64   0.29250  1.0 3.0
   76    57    64    65   0.00000  1.0 1.0
   76    57    64    66   0.00000  1.0 1.0
   77    76    57    53   0.15000  1.0 3.0
   77    76    57    58   0.15000  1.0 3.0
   77    76    57    64  -0.03800  1.0 3.0
   78    76    57    53   0.15000  1.0 3.0
   78    76    57    58   0.15000  1.0 3.0
   78    76    57    64  -0.03800  1.0 3.0
   57    53    56    62   1.00000 -1.0 2.0
   57    53   -56    75   1.00000 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    66   0.00000  1.0 1.0
   73    68    71    72   3.62500 -1.0 2.0
   73    68    71    75   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    67    68    73   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
   33    39    38    42   1.10000 -1.0 2.0
   60    54    59    61  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   56    57    53    46   1.00000 -1.0 2.0
   62    75    56    53   4.00000 -1.0 2.0
   67    63    62    56   1.10000 -1.0 2.0
   68    69    67    62   4.00000 -1.0 2.0
   71    73    68    67   4.00000 -1.0 2.0
   75    72    71    68   1.10000 -1.0 2.0
   71    76    75    56   4.00000 -1.0 2.0
   65    57    64    66  10.50000 -1.0 2.0
END
