* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    138    223     410
    1     0 S   NP   _N1_     1    29.41724    96.76941   -26.13517
    2     1 S   H    _HN1     2     1.02945    69.31002    -6.63321
    3     1 S   H    _H1_     3     1.02825    39.81015  -167.35425
    4     1 S   H    _H2_     4     1.02809   132.02350  -103.15868
    5     1 S   CT   _CA1     5     1.50142   113.11681    97.50587
    6     5 S   HC   _HA1     6     1.09573   105.12875   102.28864
    7     5 S   CO3  _C1_     7     1.53749   112.54376   -17.93635
    8     7 S   O2Z  _O11     8     1.26387   115.00627   -41.29484
    9     7 S   O2Z  _O12     9     1.26233   114.93989   137.67908
   10     5 S   CT   _CB1    10     1.53031   107.39000  -139.71322
   11    10 S   HC   HB11    11     1.09860   109.30314   -48.77367
   12    10 S   HC   HB12    12     1.09814   110.47619    67.78821
   13    10 S   CT   _CG1    13     1.53085   112.70870  -169.66534
   14    13 S   HC   HG11    14     1.09553   110.90456   -69.74627
   15    13 S   HC   HG12    15     1.09657   109.59224    49.52294
   16    13 S   C    _CD1    16     1.51804   111.42813   170.22167
   17    16 S   O    _OE1    17     1.22798   122.91649    22.71648
   18    16 S   N    _N2_    18     1.38614   112.18900  -157.25281
   19    18 S   H    _HN2    19     1.01566   119.05069     0.19077
   20    18 S   CT1  _CA2    20     1.46195   123.25964   174.83078
   21    20 S   HC   _HA2    21     1.09736   109.28207    10.52246
   22    20 S   C    _C2_    22     1.53780   108.83859  -105.02792
   23    22 S   O    _O2_    23     1.23106   122.19155  -148.18820
   24    20 S   CT   _CB2    32     1.53278   111.80725   132.65191
   25    24 S   HC   HB21    33     1.09589   110.17862    56.81399
   26    24 S   HC   HB22    34     1.09438   109.74893   175.74490
   27    22 S   N    _N3_    24     1.38282   113.93180    39.19340
   28    27 S   H    _HN3    25     1.01515   119.64903    -2.70848
   29    24 S   S    _SG2    35     1.82585   111.78559   -64.19170
   30    27 S   CT   _CA3    26     1.45280   123.42449   177.52907
   31    30 S   HC   HA31    27     1.09543   107.47398   -66.21812
   32    30 S   HC   HA32    28     1.09551   108.06608    50.28251
   33    29 S   CT   _C16    36     1.85040    99.39908   178.44254
   34    33 S   HC   _H5_    37     1.09692   106.52593   -43.20169
   35    30 S   CO3  _C3_    29     1.53019   113.95819   172.30673
   36    35 S   O2Z  _O31    30     1.26402   116.08709    -0.63366
   37    35 S   O2Z  _O32    31     1.26422   114.42109   179.43421
   38    33 S   CM   _C12    38     1.52489   109.46404    76.63360
   39    38 S   CT   _C13    39     1.51796   113.68856    72.55101
   40    39 S   HC   _H12    40     1.09250   112.69137   172.34455
   41    39 S   HC   _H13    41     1.09762   108.41357   -71.46473
   42    38 S   CM   _C11    54     1.34653   119.67194  -111.31509
   43    42 S   HC   _H11    55     1.08631   118.92738     1.97823
   44    39 S   CT1  _C14    42     1.53475   112.38497    49.17468
   45    44 S   HC   _H3_    43     1.09814   107.13899  -166.35474
   46    42 S   CG   _C10    56     1.48031   124.24169  -177.94329
   47    46 S   HC   _H10    57     1.09634   117.28339    -5.86485
   48    44 S   NT   _N5_    44     1.47565   112.33101   -48.81778
   49    48 S   H    _H14    45     1.02270   109.39516   175.57207
   50    44 S   CO3  _C18    51     1.55066   115.90000    76.49503
   51    50 S   O2Z  _O38    52     1.26404   116.20133    -2.70175
   52    50 S   O2Z  _O37    53     1.26608   114.86556   175.98322
   53    46 S   NIP  _N4_    58     1.29047   123.72363   174.27098
   54    33 S   CT1  _C15    46     1.54234   113.27462  -161.59021
   55    54 S   HC   _H4_    47     1.10016   108.05857   174.39489
   56    53 S   CA   _C6_    59     1.40135   122.71360   178.98259
   57    53 S   CT   _C19    70     1.49693   128.44847    -2.12126
   58    57 S   HC   _H15    71     1.09562   107.48521    73.26598
   59    57 S   HC   _H16    72     1.09462   109.57971   -46.61677
   60    54 S   CO3  _C17    48     1.55147   115.84585    58.78037
   61    60 S   O2Z  _O36    49     1.26548   115.37717    25.13930
   62    60 S   O2Z  _O35    50     1.26558   116.06648  -157.85588
   63    56 S   CA   _C7_    60     1.38879   129.01970    -8.54881
   64    63 S   HA   _H7_    61     1.08393   122.49921     0.41918
   65    63 S   CA   _C8_    62     1.39810   117.66143  -179.20845
   66    65 S   CA   _C9_    63     1.40219   121.00168     0.14127
   67    65 S   OH   _O34    75     1.36907   120.18365  -179.91153
   68    67 S   HO   _H9_    76     0.97206   109.05033     0.61960
   69    66 S   CA   _C4_    64     1.39531   120.74343     0.07913
   70    69 S   HA   _H6_    65     1.08513   121.38322  -179.74899
   71    66 S   OH   _O33    73     1.36817   119.00907  -179.89165
   72    71 S   HO   _H8_    74     0.97216   108.86459   179.91607
   73    56 S   CA   _C5_    66     1.39476   109.58629   172.72465
   74    73 S   CT   _C20    67     1.49112   111.63495    -1.88533
   75    74 S   HC   _H17    68     1.09420   112.34931   128.41507
   76    74 S   HC   _H18    69     1.09539   110.31879  -109.30433
  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  12   4   3  14   8   5   4   2   1   1   9   4
   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    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    55    60    61    62    42    43    46  
   38    39    48    54    55    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    55    60    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    60    50    51    52  
   48    49    54    50    51    52  
   47    53    56    63    73    74    57    58    59  
   53    56    57  
   49    54    55    60    61    62    50    51    52  
   54    55    60    50  
   51    52    54  
   52  
    0  
   56    63    64    65    69    73    74    75    76    57    58    59  
   55    60    61    62  
   60    61    62  
   63    64    65    66    69    70    73    74    75    76    57    58    59    67  
   58    59    63    69    73    74    75    76  
   59    73    74    75    76  
   73    74    75    76  
   61    62  
   62  
    0  
   64    65    66    69    73    74    71    67    68  
   65    66    73    67  
   66    69    70    73    71    72    67    68  
   69    70    73    74    71    72    67    68  
   68    69    71  
    0  
   70    73    74    75    76    71    72  
   73    74    71  
   72    73  
    0  
   74    75    76  
   75    76  
   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   3.5500   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  -0.065700   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   0.286700   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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    60   317.000  1.522
   60    61   656.000  1.250
   60    62   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    63   469.000  1.400
   56    73   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    67   450.000  1.364
   66    69   469.000  1.400
   66    71   450.000  1.364
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   71    72   553.000  0.945
   67    68   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    60    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    60    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    60    61    70.00000  117.00000
   54    60    62    70.00000  117.00000
   60    54    55    35.00000  109.50000
   62    60    61    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    63    70.00000  116.83300
   53    56    73    70.00000  116.83300
   53    57    74    75.00000  111.57000
   53    57    58    50.00000  106.46400
   53    57    59    50.00000  106.46400
   56    63    64    35.00000  120.00000
   56    63    65    63.00000  120.00000
   56    73    69    63.00000  120.00000
   56    73    74    70.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    67    70.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    69    63.00000  120.00000
   65    66    71    70.00000  120.00000
   65    67    68    35.00000  113.00000
   66    69    70    35.00000  120.00000
   66    69    73    63.00000  120.00000
   66    71    72    35.00000  113.00000
   69    73    74    70.00000  120.00000
   73    56    63    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    57    70.00000  112.17500
   74    57    58    37.50000  110.70000
   74    57    59    37.50000  110.70000
   76    74    75    33.00000  107.80000
   57    53    56    70.00000  121.00000
   57    74    75    37.50000  110.70000
   57    74    76    37.50000  110.70000
   59    57    58    33.00000  107.80000
   71    66    69    70.00000  120.00000
   67    65    66    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    60  -2.17200  1.0 1.0
   29    33    54    60  -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    60    61   0.00000  1.0 1.0
   33    54    60    62   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    60  -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    60  -0.98800  1.0 1.0
   38    33    54    60   0.48800 -1.0 2.0
   38    33    54    60   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    60  -1.76800  1.0 1.0
   44    48    54    60   1.02600 -1.0 2.0
   44    48    54    60   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    60    61   0.30150 -1.0 2.0
   48    54    60    62   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    60   0.21900  1.0 1.0
   49    48    54    60  -0.24900 -1.0 2.0
   49    48    54    60   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    60    61   0.00000  1.0 1.0
   55    54    60    62   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    63   1.00000 -1.0 2.0
   46    53    56    73   1.00000 -1.0 2.0
   46    53    57    74   0.00000  1.0 1.0
   46    53    57    58  -0.22200  1.0 3.0
   46    53    57    59  -0.22200  1.0 3.0
   47    46    53    56   2.00000 -1.0 2.0
   47    46    53    57   2.00000 -1.0 2.0
   53    56    63    64   3.62500 -1.0 2.0
   53    56    63    65   3.62500 -1.0 2.0
   53    56    73    69   3.62500 -1.0 2.0
   53    56   -73    74   3.62500 -1.0 2.0
   56    53   -57    74   0.00000  1.0 1.0
   56    53    57    58   0.00000  1.0 1.0
   56    53    57    59   0.00000  1.0 1.0
   56    63    65    66   3.62500 -1.0 2.0
   56    63    65    67   3.62500 -1.0 2.0
   56    73    74    75   0.00000  1.0 1.0
   56    73    74    76   0.00000  1.0 1.0
   56    73   -74    57   0.04150 -1.0 2.0
   63    56    73    69   3.62500 -1.0 2.0
   63    56    73    74   3.62500 -1.0 2.0
   63    65   -66    69   3.62500 -1.0 2.0
   63    65    66    71   3.62500 -1.0 2.0
   63    65    67    68   0.84100 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    66    69    70   3.62500 -1.0 2.0
   65    66    69    73   3.62500 -1.0 2.0
   65    66    71    72   0.84100 -1.0 2.0
   66    65    67    68   0.84100 -1.0 2.0
   66    69   -73    56   3.62500 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   69    66    71    72   0.84100 -1.0 2.0
   69    73    74    75   0.00000  1.0 1.0
   69    73    74    76   0.00000  1.0 1.0
   69    73    74    57   0.04150 -1.0 2.0
   70    69    73    56   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   73    56    63    64   3.62500 -1.0 2.0
   73    56   -63    65   3.62500 -1.0 2.0
   73    74   -57    53   0.56750  1.0 1.0
   73    74   -57    53  -0.07550 -1.0 2.0
   73    74   -57    53   0.20000  1.0 3.0
   73    74    57    58   0.43200  1.0 3.0
   73    74    57    59   0.43200  1.0 3.0
   75    74    57    53   0.15000  1.0 3.0
   75    74    57    58   0.15000  1.0 3.0
   75    74    57    59   0.15000  1.0 3.0
   76    74    57    53   0.15000  1.0 3.0
   76    74    57    58   0.15000  1.0 3.0
   76    74    57    59   0.15000  1.0 3.0
   57    53    56    63   1.00000 -1.0 2.0
   57    53   -56    73   1.00000 -1.0 2.0
   71    66    69    70   3.62500 -1.0 2.0
   71    66    69    73   3.62500 -1.0 2.0
   67    65    66    69   3.62500 -1.0 2.0
   67    65    66    71   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
   61    54    60    62  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
   63    73    56    53   4.00000 -1.0 2.0
   65    64    63    56   1.10000 -1.0 2.0
   66    67    65    63   4.00000 -1.0 2.0
   69    71    66    65   4.00000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   69    74    73    56   4.00000 -1.0 2.0
END
