* LIGAND DATABASE FILE (OPLS2005)
*
001      75    79    140    241     424
    1     0 S   NP   _N1_     1    28.87257    96.67452   -19.86139
    2     1 S   H    _HN1     2     1.02975    82.95337    34.51179
    3     1 S   H    _H1_     3     1.02833    43.96534   158.01606
    4     1 S   H    _H2_     4     1.02773    81.81246   -75.28073
    5     1 S   CT   _CA1     5     1.50129   154.69463   158.36647
    6     5 S   HC   _HA1     6     1.09586   105.20220    58.63025
    7     5 S   CO3  _C1_     7     1.53785   112.50413   -61.37364
    8     7 S   O2Z  _O11     8     1.26323   114.97980   -40.68501
    9     7 S   O2Z  _O12     9     1.26255   114.91124   138.44529
   10     5 S   CT   _CB1    10     1.53096   107.39063   176.40381
   11    10 S   HC   HB11    11     1.09826   109.19599   -52.42953
   12    10 S   HC   HB12    12     1.09781   110.40829    63.95168
   13    10 S   CT   _CG1    13     1.52972   112.73808  -173.56721
   14    13 S   HC   HG11    14     1.09597   110.45070   -65.31317
   15    13 S   HC   HG12    15     1.09664   109.92078    53.84068
   16    13 S   C    _CD1    16     1.51818   112.52312   174.17658
   17    16 S   O    _OE1    17     1.22691   123.33609    -1.18217
   18    16 S   N    _N2_    18     1.38599   111.46687   179.11265
   19    18 S   H    _HN2    19     1.01595   118.87601     0.19782
   20    18 S   CT1  _CA2    20     1.46264   123.66245   178.77299
   21    20 S   HC   _HA2    21     1.09736   109.42024   -11.90571
   22    20 S   C    _C2_    22     1.53492   108.01282  -127.34930
   23    22 S   O    _O2_    23     1.23001   122.32445  -145.17713
   24    20 S   CT   _CB2    32     1.53381   111.33440   110.49160
   25    24 S   HC   HB21    33     1.09565   109.67595    51.58001
   26    24 S   HC   HB22    34     1.09449   110.55390   170.58374
   27    22 S   N    _N3_    24     1.38538   113.32531    42.15465
   28    27 S   H    _HN3    25     1.01524   118.92323    -0.64285
   29    24 S   S    _SG2    35     1.82949   111.45745   -69.87408
   30    27 S   CT   _CA3    26     1.45463   123.53631   175.11585
   31    30 S   HC   HA31    27     1.09515   109.34638    22.15871
   32    30 S   HC   HA32    28     1.09498   107.09097   139.19110
   33    29 S   CT   _C21    36     1.86727    99.92408   157.90205
   34    33 S   HC   _H5_    37     1.09676   108.20587   -37.12292
   35    30 S   CO3  _C3_    29     1.52924   113.05037  -101.38810
   36    35 S   O2Z  _O31    30     1.26408   115.38667   -44.38976
   37    35 S   O2Z  _O32    31     1.26351   114.99055   136.51810
   38    33 S   CM   _C22    38     1.50038   106.27862    78.17010
   39    38 S   HC   _H13    39     1.09188   116.28552   -32.09948
   40    38 S   CMA  _C23    40     1.34909   127.70297   147.55294
   41    40 S   OM   _O35    41     1.26706   124.24941  -176.76529
   42    40 S   CA   _C14    42     1.51738   114.39442     4.74920
   43    42 S   CR3  _C15    43     1.42463   121.66929   -19.15656
   44    43 S   CA   _C10    44     1.44071   121.63452  -174.26523
   45    33 S   CT   _C16    71     1.55890   112.28881  -157.73587
   46    44 S   CA   _C11    45     1.40712   117.16825    -3.43359
   47    46 S   HA   _H8_    46     1.08689   121.54162  -178.22491
   48    44 S   CA   _C9_    52     1.43164   121.44946   174.06845
   49    45 S   OH   _O36    72     1.43485   110.06879   -38.82412
   50    49 S   HO   _H14    73     0.97330   107.58825   -56.41673
   51    46 S   CA   _C12    47     1.38770   122.00708     0.29275
   52    51 S   HA   _H9_    48     1.08679   119.66013  -179.02161
   53    48 S   CA   _C4_    53     1.41663   124.36394  -161.90823
   54    53 S   HA   _H6_    54     1.08700   121.31340    -4.53574
   55    42 S   CA   _C13    49     1.41514   121.24668   162.36171
   56    53 S   CA   _C5_    55     1.39567   122.08771   171.83439
   57    56 S   HA   _H7_    56     1.08679   119.61007  -178.61196
   58    55 S   OH   _O37    50     1.37367   123.61863    -3.91066
   59    58 S   HO   _H15    51     0.97531   107.45933     4.55311
   60    56 S   CA   _C6_    57     1.38717   119.84379    -1.74809
   61    60 S   CA   _C7_    58     1.39780   120.00588     3.39984
   62    60 S   OH   _O38    74     1.36761   116.14947  -176.34977
   63    62 S   HO   _H16    75     0.97409   108.76263  -179.97202
   64    48 S   CR3  _C8_    59     1.41044   119.10153    14.83566
   65    64 S   CT   _C17    60     1.52950   116.14975    14.91256
   66    65 S   HC   _H3_    61     1.10360   105.19215    59.96828
   67    65 S   CT   _C18    62     1.53760   111.53425   172.33402
   68    67 S   HC   _H4_    63     1.08806   112.25997   168.60949
   69    67 S   CT   _C19    64     1.51361   113.22731    42.86752
   70    69 S   HC   _H10    65     1.09551   109.31449  -176.13887
   71    69 S   HC   _H11    66     1.09386   112.35731    63.13504
   72    67 S   OH   _O34    69     1.43891   109.29199   -76.58496
   73    72 S   HO   _H12    70     0.97244   107.76811   -63.95455
   74    61 S   CO4  _C20    67     1.48748   120.90927  -174.14024
   75    74 S   O    _O33    68     1.22796   120.76908    -2.09705
  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
  15   7   2   1   1   9   4   8   3  12  15  14  13   8   4  12
   5   1   4   2   8   4   2   7   3   1   1   8  11   3   1   8
   9   4   8   6   6   4   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    65    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    64    65    66    67    45    49    50  
   38    39    40    43    65    45    49  
   36    37  
   37  
    0  
   39    40    41    42    43    55    65    45    49  
   40    41    42    45  
   41    42    43    44    51    55    58    45  
   42    43    55  
   43    44    46    51    52    55    58    59    48    65    45    49  
   44    46    47    51    55    58    48    53    64    65    66    67    45    49    50  
   46    47    51    52    55    48    53    54    56    61    64    65    45    49  
   49    50    46    48    55    61    64    65    66    67    68    69    72  
   47    51    52    55    58    48    53    64  
   51    52    55    48  
   53    54    56    57    60    61    64    65    66    67    74    51  
   50    64    65    66    67  
   65  
   52    55    58    59  
   55    58  
   54    56    57    60    61    64    65    62  
   56    57    60    64  
   58    59  
   57    60    61    64    74    62    63  
   60    61    62  
   59  
    0  
   61    64    65    69    74    75    62    63  
   64    65    66    67    69    70    71    74    75    62    63  
   63    64    74  
    0  
   65    66    67    68    69    74    75    72  
   66    67    68    69    70    71    74    72    73  
   67    68    69    72  
   68    69    70    71    74    75    72    73  
   69    70    71    74    72    73  
   70    71    74    75    72    73  
   71    74    75    72  
   74    75    72  
   73    74  
    0  
   75  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    45   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   320.000  1.460
   42    43   490.000  1.398
   42    55   469.000  1.400
   43    44   490.000  1.398
   43    45   317.000  1.510
   44    46   469.000  1.400
   44    48   375.000  1.464
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    58   450.000  1.364
   58    59   553.000  0.945
   48    53   469.000  1.400
   48    64   490.000  1.398
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   469.000  1.400
   60    62   450.000  1.364
   61    64   490.000  1.398
   61    74   310.000  1.470
   64    65   317.000  1.510
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    45   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   317.000  1.522
   74    75   570.000  1.229
   72    73   553.000  0.945
   45    49   320.000  1.410
   49    50   553.000  0.945
   62    63   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    45    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    43    70.00000  112.17500
   33    45    65    58.35000  112.70000
   33    45    49    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    60.00000  123.20500
   40    38    39    40.00000  120.50800
   40    42    43    60.00000  120.93500
   40    42    55    60.00000  120.93500
   42    40    41    85.00000  114.86500
   42    43    44    60.00000  130.80000
   42    43    45    70.00000  120.00000
   42    55    51    63.00000  120.00000
   42    55    58    70.00000  120.00000
   43    44    46    70.00000  112.88000
   43    44    48    60.00000  122.76000
   43    45    65    70.00000  112.17500
   43    45    49    90.00000  112.51600
   44    46    47    35.00000  120.00000
   44    46    51    63.00000  120.00000
   44    48    53    60.00000  122.76000
   44    48    64    60.00000  122.76000
   46    51    52    35.00000  120.00000
   46    51    55    63.00000  120.00000
   51    46    47    35.00000  120.00000
   51    55    58    70.00000  120.00000
   55    42    43    70.00000  112.88000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  113.00000
   48    44    46    60.00000  122.76000
   48    53    54    35.00000  120.00000
   48    53    56    63.00000  120.00000
   48    64    61    60.00000  130.80000
   48    64    65    70.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    60    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    60    61    63.00000  120.00000
   56    60    62    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    61    64    70.00000  112.88000
   60    61    74    60.00000  119.52600
   60    62    63    35.00000  113.00000
   61    64    65    70.00000  120.00000
   61    74    69    65.00000  115.47100
   61    74    75    75.00000  123.78400
   64    48    53    70.00000  112.88000
   64    65    66    35.00000  109.50000
   64    65    67    70.00000  112.17500
   64    65    45    70.00000  112.17500
   65    67    68    37.50000  110.70000
   65    67    69    58.35000  112.70000
   65    67    72    50.00000  109.50000
   65    45    49    50.00000  109.50000
   67    65    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    74    63.00000  111.10000
   67    72    73    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    74    75    80.00000  120.40000
   71    69    70    33.00000  107.80000
   74    61    64    60.00000  119.52600
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   72    67    68    35.00000  109.50000
   72    67    69    50.00000  109.50000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    43    44    70.00000  120.00000
   45    65    66    37.50000  110.70000
   45    65    67    58.35000  112.70000
   45    49    50    55.00000  108.50000
   62    60    61    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    65   0.44750  1.0 1.0
   29    33    45    65  -0.17800 -1.0 2.0
   29    33    45    65   0.20200  1.0 3.0
   29    33    45    49   0.56750  1.0 1.0
   29    33    45    49  -0.07550 -1.0 2.0
   29    33    45    49   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    45    49    50  -0.11600  1.0 1.0
   33    45    49    50  -0.09450 -1.0 2.0
   33    45    49    50   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    43   0.43200  1.0 3.0
   34    33    45    65   0.15000  1.0 3.0
   34    33    45    49   0.23400  1.0 3.0
   38    33    45    43   0.21200  1.0 1.0
   38    33    45    43   0.16900 -1.0 2.0
   38    33    45    43  -1.15100  1.0 3.0
   38    33    45    65   0.34400  1.0 1.0
   38    33    45    65   0.09450 -1.0 2.0
   38    33    45    65   0.11100  1.0 3.0
   38    33    45    49   1.05650  1.0 1.0
   38    33    45    49   0.15600 -1.0 2.0
   38    33    45    49   0.53150  1.0 3.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    55   0.15800  1.0 1.0
   38    40    42    55   1.85350 -1.0 2.0
   38    40    42    55  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   40    42    55    51   3.62500 -1.0 2.0
   40    42    55    58   3.62500 -1.0 2.0
   41    40    42    43  -0.01750  1.0 1.0
   41    40    42    43  -0.32000 -1.0 2.0
   41    40    42    43   0.00600  1.0 3.0
   41    40    42    55  -0.01750  1.0 1.0
   41    40    42    55  -0.32000 -1.0 2.0
   41    40    42    55   0.00600  1.0 3.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43   -45    33   0.04150 -1.0 2.0
   42    43    45    65   0.04150 -1.0 2.0
   42    43    45    49   0.14300 -1.0 2.0
   42    43    45    49   0.00300  1.0 3.0
   42    55    58    59   0.84100 -1.0 2.0
   43    42    55    51   3.62500 -1.0 2.0
   43    42    55    58   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44   -46    51   3.62500 -1.0 2.0
   43    44    48    53  -0.19450  1.0 1.0
   43    44    48    53   0.63300 -1.0 2.0
   43    44    48    53   0.07450  1.0 3.0
   43    44    48    64  -0.19450  1.0 1.0
   43    44    48    64   0.63300 -1.0 2.0
   43    44    48    64   0.07450  1.0 3.0
   43    45    49    50   0.31900  1.0 1.0
   43    45    49    50  -0.11800 -1.0 2.0
   43    45    49    50   0.38750  1.0 3.0
   44    43    45    33   0.04150 -1.0 2.0
   44    43    45    65   0.04150 -1.0 2.0
   44    43    45    49   0.14300 -1.0 2.0
   44    43    45    49   0.00300  1.0 3.0
   44    46    51    52   3.62500 -1.0 2.0
   44    46    51    55   3.62500 -1.0 2.0
   44    48    53    54   3.62500 -1.0 2.0
   44    48    53    56   3.62500 -1.0 2.0
   44    48    64    61   3.62500 -1.0 2.0
   44    48   -64    65   3.62500 -1.0 2.0
   46    44    48    53  -0.19450  1.0 1.0
   46    44    48    53   0.63300 -1.0 2.0
   46    44    48    53   0.07450  1.0 3.0
   46    44    48    64  -0.19450  1.0 1.0
   46    44    48    64   0.63300 -1.0 2.0
   46    44    48    64   0.07450  1.0 3.0
   46    51   -55    42   3.62500 -1.0 2.0
   46    51    55    58   3.62500 -1.0 2.0
   47    46    51    52   3.62500 -1.0 2.0
   47    46    51    55   3.62500 -1.0 2.0
   51    55    58    59   0.84100 -1.0 2.0
   52    51    55    42   3.62500 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   55    42   -43    44   3.62500 -1.0 2.0
   55    42    43    45   3.62500 -1.0 2.0
   48    44    46    47   3.62500 -1.0 2.0
   48    44    46    51   3.62500 -1.0 2.0
   48    53    56    57   3.62500 -1.0 2.0
   48    53    56    60   3.62500 -1.0 2.0
   48    64    65    66   0.00000  1.0 1.0
   48    64    65    67   0.04150 -1.0 2.0
   48    64    65    45   0.04150 -1.0 2.0
   53    48    64    61   3.62500 -1.0 2.0
   53    48    64    65   3.62500 -1.0 2.0
   53    56   -60    61   3.62500 -1.0 2.0
   53    56    60    62   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    60   3.62500 -1.0 2.0
   56    60    61    64   3.62500 -1.0 2.0
   56    60    61    74   3.62500 -1.0 2.0
   56    60    62    63   0.84100 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    62   3.62500 -1.0 2.0
   60    61   -64    48   3.62500 -1.0 2.0
   60    61    64    65   3.62500 -1.0 2.0
   60    61    74    69   2.26350  1.0 1.0
   60    61    74    69   0.76750 -1.0 2.0
   60    61    74    69   0.22500  1.0 3.0
   60    61    74    75   1.05000 -1.0 2.0
   61    60    62    63   0.84100 -1.0 2.0
   61    64    65    66   0.00000  1.0 1.0
   61    64    65    67   0.04150 -1.0 2.0
   61    64    65    45   0.04150 -1.0 2.0
   64    48    53    54   3.62500 -1.0 2.0
   64    48   -53    56   3.62500 -1.0 2.0
   64    61    74    69   2.26350  1.0 1.0
   64    61    74    69   0.76750 -1.0 2.0
   64    61    74    69   0.22500  1.0 3.0
   64    61    74    75   1.05000 -1.0 2.0
   64    65    67    68   0.43200  1.0 3.0
   64    65   -67    69  -0.03700  1.0 1.0
   64    65   -67    69   0.37200 -1.0 2.0
   64    65   -67    69  -0.47300  1.0 3.0
   64    65    67    72   1.13150  1.0 1.0
   64    65    67    72  -1.01400 -1.0 2.0
   64    65    45    33  -0.03700  1.0 1.0
   64    65    45    33   0.37200 -1.0 2.0
   64    65    45    33  -0.47300  1.0 3.0
   64    65   -45    43  -0.94300  1.0 1.0
   64    65   -45    43   1.32550 -1.0 2.0
   64    65   -45    43  -0.07100  1.0 3.0
   64    65    45    49   1.13150  1.0 1.0
   64    65    45    49  -1.01400 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    71   0.15000  1.0 3.0
   65    67    69    74  -0.95700  1.0 1.0
   65    67    69    74  -0.18200 -1.0 2.0
   65    67    69    74   0.29450  1.0 3.0
   65    67    72    73  -0.11600  1.0 1.0
   65    67    72    73  -0.09450 -1.0 2.0
   65    67    72    73   0.21250  1.0 3.0
   65    45    49    50  -0.11600  1.0 1.0
   65    45    49    50  -0.09450 -1.0 2.0
   65    45    49    50   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.23400  1.0 3.0
   66    65    45    33   0.15000  1.0 3.0
   66    65    45    43   0.43200  1.0 3.0
   66    65    45    49   0.23400  1.0 3.0
   67    65    45    33   0.56750  1.0 1.0
   67    65    45    33  -0.07550 -1.0 2.0
   67    65    45    33   0.20000  1.0 3.0
   67    65    45    43  -0.03700  1.0 1.0
   67    65    45    43   0.37200 -1.0 2.0
   67    65    45    43  -0.47300  1.0 3.0
   67    65    45    49   0.86500  1.0 1.0
   67    65    45    49  -0.17500 -1.0 2.0
   67    65    45    49   0.20800  1.0 3.0
   67    69   -74    61   0.05850 -1.0 2.0
   67    69   -74    61   0.17250  1.0 3.0
   67    69    74    75   0.30150 -1.0 2.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    74  -0.11250  1.0 3.0
   68    67    72    73   0.19450  1.0 3.0
   69    67    72    73  -0.11600  1.0 1.0
   69    67    72    73  -0.09450 -1.0 2.0
   69    67    72    73   0.21250  1.0 3.0
   70    69    74    61   0.00000  1.0 1.0
   70    69    74    75   0.00000  1.0 1.0
   71    69    74    61   0.00000  1.0 1.0
   71    69    74    75   0.00000  1.0 1.0
   74    61    64    48   3.62500 -1.0 2.0
   74    61   -64    65   3.62500 -1.0 2.0
   72    67    69    70   0.23400  1.0 3.0
   72    67    69    71   0.23400  1.0 3.0
   72    67    69    74  -0.09450  1.0 1.0
   72    67    69    74  -1.12950 -1.0 2.0
   72    67    69    74   0.54000  1.0 3.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40   0.09850  1.0 1.0
   45    33   -38    40   0.15250 -1.0 2.0
   45    33   -38    40  -0.50650  1.0 3.0
   45    43    44    46   3.62500 -1.0 2.0
   45    43   -44    48   3.62500 -1.0 2.0
   45    65    67    68   0.15000  1.0 3.0
   45    65    67    69   0.56750  1.0 1.0
   45    65    67    69  -0.07550 -1.0 2.0
   45    65    67    69   0.20000  1.0 3.0
   45    65    67    72   0.86500  1.0 1.0
   45    65    67    72  -0.17500 -1.0 2.0
   45    65    67    72   0.20800  1.0 3.0
   62    60    61    64   3.62500 -1.0 2.0
   62    60    61    74   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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    55    42    40   4.00000 -1.0 2.0
   44    45    43    42   4.00000 -1.0 2.0
   46    48    44    43   4.00000 -1.0 2.0
   51    47    46    44   1.10000 -1.0 2.0
   55    52    51    46   1.10000 -1.0 2.0
   51    58    55    42   4.00000 -1.0 2.0
   53    64    48    44   4.00000 -1.0 2.0
   56    54    53    48   1.10000 -1.0 2.0
   60    57    56    53   1.10000 -1.0 2.0
   61    62    60    56   4.00000 -1.0 2.0
   64    74    61    60   4.00000 -1.0 2.0
   61    65    64    48   4.00000 -1.0 2.0
   61    69    74    75  10.50000 -1.0 2.0
END
