* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    144    225     424
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02121   105.47202     0.37898
    3     1 S   H    _H1_     3     1.02092    47.50191   101.70394
    4     1 S   H    _H2_     4     1.02127    65.04672  -103.40527
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.82810    98.53095   180.00000
   34    33 S   F    F4__    37     1.36568   108.75238   -56.87411
   35    33 S   F    F5__    38     1.36538   108.76546    56.84812
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CA   _C9_    39     1.50780   110.12018  -179.97202
   40    39 S   CA   _C8_    40     1.38016   119.41040    61.12305
   41    40 S   HA   _H7_    41     1.08476   121.21503     0.02798
   42    39 S   NB   _N4_    52     1.35302   116.44394  -118.78026
   43    40 S   CA   _C7_    42     1.38785   117.51289  -179.98022
   44    43 S   CA   _C6_    43     1.40128   120.20221     0.06256
   45    43 S   CT   _C15    57     1.49665   117.63855  -179.97202
   46    45 S   HC   _H3_    58     1.10114   111.70834   150.00150
   47    44 S   CA   _C5_    44     1.40535   121.57427  -179.96574
   48    47 S   HA   _H6_    45     1.08627   121.51794    -0.08393
   49    45 S   CT   _C16    59     1.52160   112.94410   -87.73231
   50    49 S   HC   _H4_    60     1.09696   110.04462   -40.02050
   51    45 S   OH   _O33    76     1.43126   108.86206    32.42812
   52    51 S   HO   _H19    77     0.96801   106.23140   179.97202
   53    47 S   CA   _C4_    46     1.39200   120.40275   179.97202
   54    53 S   HA   _H5_    47     1.08553   120.19023  -180.00000
   55    49 S   CT   _C17    61     1.52953   112.10874    83.89377
   56    55 S   HC   _H9_    62     1.09799   110.04082    53.31476
   57    55 S   HC   _H10    63     1.09594   109.82387   -63.90959
   58    53 S   CA   _C12    48     1.38954   119.59002    -0.01978
   59    58 S   HA   _H8_    49     1.08658   119.49942  -179.91607
   60    55 S   CT   _C18    64     1.52765   111.60755   174.65317
   61    60 S   HC   _H11    65     1.09583   109.73463  -175.83886
   62    60 S   HC   _H12    66     1.09666   109.39849    67.04379
   63    58 S   CA   _C11    50     1.39749   119.99267    -0.01978
   64    60 S   CT   _C19    67     1.52666   111.39698   -54.08972
   65    64 S   HC   _H13    68     1.09542   109.66516   175.59069
   66    64 S   HC   _H14    69     1.09706   109.25469   -67.56269
   67    44 S   CA   _C10    51     1.41075   118.11390    -0.06561
   68    63 S   CT   _C13    53     1.49765   118.04430  -180.00000
   69    68 S   F    F1__    54     1.36352   113.32477    -0.02798
   70    68 S   F    F2__    55     1.36362   113.39057   120.04385
   71    68 S   F    F3__    56     1.36208   112.39189  -119.94234
   72    64 S   CT   _C20    70     1.52049   111.59960    53.85016
   73    72 S   HC   _H15    71     1.09542   112.12006    64.16158
   74    72 S   HC   _H16    72     1.09385   111.50200  -172.86903
   75    49 S   NP   _N5_    73     1.50113   108.38967  -156.23461
   76    75 S   H    _H17    74     1.02988   109.28110    57.60388
   77    75 S   H    _H18    75     1.02990   109.74152   -57.73912
  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   6   5   4   3
   8   4   3   2   1   1   8  10   4   7  14  12  15   6   7   4
  16   9   3   1   6   3  12   6   5   7   3   9   5   4   5   8
   5   4   4   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    67    42  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    43    44    63    67    42    45  
   41    43    44    47    67    42    45    46    49    51  
   43    44    42    45  
   68    43    44    47    58    63    67  
   44    47    48    53    63    67    45    46    49    50    55    75    51    52  
   47    48    53    54    58    63    67    68    45    46    49    51  
   46    49    50    55    56    57    60    72    75    76    77    51    52    47    67  
   49    50    55    75    51    52  
   48    53    54    58    59    63    67  
   53    54    58    67  
   50    55    56    57    60    61    62    64    72    73    74    75    76    77    51    52  
   55    56    57    60    72    75    76    77    51  
   52    55    75  
    0  
   54    58    59    63    67    68  
   58    59    63  
   56    57    60    61    62    64    65    66    72    75    76    77  
   57    60    61    62    64    75  
   60    61    62    64    75  
   59    63    67    68    69    70    71  
   63    67    68  
   61    62    64    65    66    72    73    74    75  
   62    64    65    66    72  
   64    65    66    72  
   67    68    69    70    71  
   65    66    72    73    74    75    76    77  
   66    72    73    74    75  
   72    73    74    75  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   3.2500   0.0620   0.362500   2.4950   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700   0.370500   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.484900   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.197000   1.3810   1.2100   0.030040813   0.268726247
   42   3.2800   0.1700  -0.731100   1.8650   1.6500   0.001000000  -0.511443539
   43   3.5500   0.0700   0.066100   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.173600   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.167300   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.152800   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.206000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.155400   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.043300   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.138800   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.353500   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700   0.734100   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.0620   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   70   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   71   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   76   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   77   0.5000   0.0300   0.310000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    42   483.000  1.339
   40    41   367.000  1.080
   40    43   469.000  1.400
   43    44   469.000  1.400
   43    45   317.000  1.510
   44    47   469.000  1.400
   44    67   469.000  1.400
   47    48   367.000  1.080
   47    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    67   469.000  1.400
   63    68   317.000  1.510
   67    42   483.000  1.339
   68    69   367.000  1.332
   68    70   367.000  1.332
   68    71   367.000  1.332
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   320.000  1.410
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    75   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   367.000  1.471
   75    76   434.000  1.010
   75    77   434.000  1.010
   51    52   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    42    75.00000  115.74700
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    43    63.00000  120.00000
   39    42    67    70.00000  117.00000
   40    43    44    63.00000  120.00000
   40    43    45    70.00000  120.00000
   43    40    41    35.00000  120.00000
   43    44    47    63.00000  120.00000
   43    44    67    63.00000  120.00000
   43    45    46    35.00000  109.50000
   43    45    49    70.00000  112.17500
   43    45    51    90.00000  112.51600
   44    47    48    35.00000  120.00000
   44    47    53    63.00000  120.00000
   44    67    63    63.00000  120.00000
   44    67    42    70.00000  124.00000
   47    53    54    35.00000  120.00000
   47    53    58    63.00000  120.00000
   53    47    48    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    63    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    63    67    63.00000  120.00000
   58    63    68    70.00000  120.00000
   63    58    59    35.00000  120.00000
   63    67    42    70.00000  124.00000
   63    68    69    50.00000  109.50000
   63    68    70    50.00000  109.50000
   63    68    71    50.00000  109.50000
   67    44    47    63.00000  120.00000
   42    39    40    70.00000  124.00000
   68    63    67    70.00000  120.00000
   70    68    69    77.00000  109.10000
   71    68    69    77.00000  109.10000
   71    68    70    77.00000  109.10000
   45    43    44    70.00000  120.00000
   45    49    50    37.50000  110.70000
   45    49    55    58.35000  112.70000
   45    49    75    80.00000  111.20000
   45    51    52    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    60    58.35000  112.70000
   49    75    72    75.00000  113.01200
   49    75    76    35.00000  109.50000
   49    75    77    35.00000  109.50000
   55    49    50    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    64    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    72    58.35000  112.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    75    80.00000  111.20000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    49    50    35.00000  109.50000
   75    49    55    80.00000  111.20000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   77    75    76    35.00000  109.50000
   51    45    46    35.00000  109.50000
   51    45    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    42   0.04300 -1.0 2.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    43   3.62500 -1.0 2.0
   33    39    42    67   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.21350  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.21350  1.0 3.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40    43    45   3.62500 -1.0 2.0
   40    39    42    67   3.62500 -1.0 2.0
   40    43    44    47   3.62500 -1.0 2.0
   40    43   -44    67   3.62500 -1.0 2.0
   40    43    45    46   0.00000  1.0 1.0
   40    43    45    49   0.04150 -1.0 2.0
   40    43    45    51   0.14300 -1.0 2.0
   40    43    45    51   0.00300  1.0 3.0
   41    40    43    44   3.62500 -1.0 2.0
   41    40    43    45   3.62500 -1.0 2.0
   43    44    47    48   3.62500 -1.0 2.0
   43    44    47    53   3.62500 -1.0 2.0
   43    44    67    63   3.62500 -1.0 2.0
   43    44    67    42   3.62500 -1.0 2.0
   43    45    49    50   0.43200  1.0 3.0
   43    45    49    55  -0.03700  1.0 1.0
   43    45    49    55   0.37200 -1.0 2.0
   43    45    49    55  -0.47300  1.0 3.0
   43    45    49    75   1.24050  1.0 1.0
   43    45    49    75   0.48100 -1.0 2.0
   43    45    49    75   1.08150  1.0 3.0
   43    45    51    52   0.31900  1.0 1.0
   43    45    51    52  -0.11800 -1.0 2.0
   43    45    51    52   0.38750  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    49   0.04150 -1.0 2.0
   44    43    45    51   0.14300 -1.0 2.0
   44    43    45    51   0.00300  1.0 3.0
   44    47    53    54   3.62500 -1.0 2.0
   44    47    53    58   3.62500 -1.0 2.0
   44    67   -42    39   3.62500 -1.0 2.0
   47    44    67    63   3.62500 -1.0 2.0
   47    44    67    42   3.62500 -1.0 2.0
   47    53    58    59   3.62500 -1.0 2.0
   47    53   -58    63   3.62500 -1.0 2.0
   48    47    53    54   3.62500 -1.0 2.0
   48    47    53    58   3.62500 -1.0 2.0
   53    58    63    67   3.62500 -1.0 2.0
   53    58    63    68   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    63   -67    44   3.62500 -1.0 2.0
   58    63    67    42   3.62500 -1.0 2.0
   58    63    68    69   0.00000  1.0 1.0
   58    63    68    70   0.00000  1.0 1.0
   58    63    68    71   0.00000  1.0 1.0
   59    58    63    67   3.62500 -1.0 2.0
   59    58    63    68   3.62500 -1.0 2.0
   63    67    42    39   3.62500 -1.0 2.0
   67    44    47    48   3.62500 -1.0 2.0
   67    44   -47    53   3.62500 -1.0 2.0
   67    63    68    69   0.00000  1.0 1.0
   67    63    68    70   0.00000  1.0 1.0
   67    63    68    71   0.00000  1.0 1.0
   42    39    40    41   3.62500 -1.0 2.0
   42    39   -40    43   3.62500 -1.0 2.0
   68    63    67    44   3.62500 -1.0 2.0
   68    63    67    42   3.62500 -1.0 2.0
   45    43    44    47   3.62500 -1.0 2.0
   45    43    44    67   3.62500 -1.0 2.0
   45    49    55    56   0.15000  1.0 3.0
   45    49    55    57   0.15000  1.0 3.0
   45    49    55    60   0.56750  1.0 1.0
   45    49    55    60  -0.07550 -1.0 2.0
   45    49    55    60   0.20000  1.0 3.0
   45    49    75    72   0.47100  1.0 1.0
   45    49    75    76   0.17350  1.0 3.0
   45    49    75    77   0.17350  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    55   0.15000  1.0 3.0
   46    45    49    75   0.19200  1.0 3.0
   46    45    51    52   0.19450  1.0 3.0
   49    45    51    52  -0.11600  1.0 1.0
   49    45    51    52  -0.09450 -1.0 2.0
   49    45    51    52   0.21250  1.0 3.0
   49    55    60    61   0.15000  1.0 3.0
   49    55    60    62   0.15000  1.0 3.0
   49    55    60    64   0.56750  1.0 1.0
   49    55    60    64  -0.07550 -1.0 2.0
   49    55    60    64   0.20000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    60   0.15000  1.0 3.0
   50    49    75    72   0.15000  1.0 3.0
   50    49    75    76   0.13050  1.0 3.0
   50    49    75    77   0.13050  1.0 3.0
   55    49    75    72   0.47100  1.0 1.0
   55    49    75    76   0.17350  1.0 3.0
   55    49    75    77   0.17350  1.0 3.0
   55    60    64    65   0.15000  1.0 3.0
   55    60    64    66   0.15000  1.0 3.0
   55    60   -64    72   0.56750  1.0 1.0
   55    60   -64    72  -0.07550 -1.0 2.0
   55    60   -64    72   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    64   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    64   0.15000  1.0 3.0
   60    64    72    73   0.15000  1.0 3.0
   60    64    72    74   0.15000  1.0 3.0
   60    64    72    75   1.36600  1.0 1.0
   60    64    72    75  -0.11450 -1.0 2.0
   60    64    72    75   0.24250  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    72   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    72   0.15000  1.0 3.0
   64    72   -75    49   0.47100  1.0 1.0
   64    72    75    76   0.17350  1.0 3.0
   64    72    75    77   0.17350  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    74   0.15000  1.0 3.0
   65    64    72    75   0.19200  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    74   0.15000  1.0 3.0
   66    64    72    75   0.19200  1.0 3.0
   73    72    75    49   0.15000  1.0 3.0
   73    72    75    76   0.13050  1.0 3.0
   73    72    75    77   0.13050  1.0 3.0
   74    72    75    49   0.15000  1.0 3.0
   74    72    75    76   0.13050  1.0 3.0
   74    72    75    77   0.13050  1.0 3.0
   75    49    55    56   0.19200  1.0 3.0
   75    49    55    57   0.19200  1.0 3.0
   75    49   -55    60   1.36600  1.0 1.0
   75    49   -55    60  -0.11450 -1.0 2.0
   75    49   -55    60   0.24250  1.0 3.0
   51    45    49    50   0.23400  1.0 3.0
   51    45    49    55   0.86500  1.0 1.0
   51    45    49    55  -0.17500 -1.0 2.0
   51    45    49    55   0.20800  1.0 3.0
   51    45    49    75   1.69300  1.0 1.0
   51    45    49    75  -0.48450 -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
   37    30    36    38  10.50000 -1.0 2.0
   40    42    39    33   4.00000 -1.0 2.0
   43    41    40    39   1.10000 -1.0 2.0
   44    45    43    40   4.00000 -1.0 2.0
   47    67    44    43   4.00000 -1.0 2.0
   53    48    47    44   1.10000 -1.0 2.0
   58    54    53    47   1.10000 -1.0 2.0
   63    59    58    53   1.10000 -1.0 2.0
   67    68    63    58   4.00000 -1.0 2.0
   63    42    67    44   4.00000 -1.0 2.0
END
