* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    130    219     389
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02061    88.72067    42.48210
    3     1 S   H    _H1_     3     1.02137    33.00294   171.06361
    4     1 S   H    _H2_     4     1.02079    91.79781   -66.19944
    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   _C15    36     1.83402    98.13742   161.75414
   34    33 S   HC   _H3_    37     1.10425   105.51658    33.50967
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO4  _C16    38     1.51136   106.67896   -79.97058
   39    38 S   O    _O35    39     1.22807   121.58136    88.32903
   40    38 S   CA   _C17    40     1.47954   118.12765   -88.47783
   41    40 S   CA   _C18    41     1.39693   121.00874   -14.08112
   42    41 S   CA   _C19    42     1.40135   119.58677   178.75055
   43    42 S   HA   _H12    43     1.08706   121.28406  -179.09604
   44    41 S   CO4  _C23    51     1.48163   121.43805    -3.21455
   45    44 S   O    _O37    52     1.22996   119.88727  -179.23664
   46    42 S   CA   _C20    44     1.39551   120.24017     0.14935
   47    46 S   HA   _H13    45     1.08617   119.95297  -179.53648
   48    33 S   CT   _C14    53     1.53303   111.43613   154.75901
   49    48 S   HC   _H11    54     1.13420   109.33032   -35.29604
   50    46 S   CA   _C21    46     1.39224   120.03123     0.24866
   51    50 S   HA   _H14    47     1.08693   119.50016   179.44609
   52    48 S   CA   _C7_    55     1.52453   111.84424  -150.94008
   53    40 S   CA   _C22    48     1.40060   118.98463   165.16584
   54    52 S   CA   _C8_    56     1.39494   117.28078   -91.67056
   55    54 S   HA   _H6_    57     1.08693   120.59347     0.11014
   56    53 S   OH   _O36    49     1.36287   122.98644     2.14174
   57    56 S   HO   _H15    50     0.96950   110.10934    -0.92090
   58    54 S   CA   _C9_    58     1.39225   120.04398   179.96044
   59    58 S   HA   _H7_    59     1.08671   119.53122  -179.95577
   60    58 S   CA   _C10    60     1.39460   120.02827     0.03956
   61    60 S   CA   _C11    61     1.40486   120.70371    -0.02798
   62    60 S   OH   _O34    72     1.36648   116.66428   179.97202
   63    62 S   HO   _H10    73     0.96851   109.91022    -0.00000
   64    52 S   CA   _C6_    62     1.40452   122.00567    88.35156
   65    64 S   CA   _C5_    63     1.40406   121.47478    -0.03956
   66    65 S   HA   _H5_    64     1.08767   121.46776     0.05595
   67    65 S   CA   _C4_    65     1.39493   120.65406  -180.00000
   68    67 S   HA   _H4_    66     1.08660   119.93331  -179.89347
   69    67 S   CA   _C13    67     1.39218   120.09929     0.05234
   70    69 S   HA   _H8_    68     1.08672   119.54864  -179.96044
   71    61 S   CA   _C12    69     1.40411   121.43429   179.98022
   72    71 S   OH   _O33    70     1.36572   122.70319    -0.00000
   73    72 S   HO   _H9_    71     0.96976   110.02241  -179.98022
  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
  13   7   2   1   1  11   4  12  12   9   4   8   3   5   3   8
   3   4   2  11   2   8   4   1   1   7   3   8  11   3   1   7
   6   3   5   3   4   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    44    45    48    49    52    54    64  
   38    39    40    44    48    49    52  
   36    37  
   37  
    0  
   39    40    41    42    50    53    56    44    48    49    52  
   40    41    53    48  
   41    42    43    46    50    51    53    56    57    44    45    48  
   42    43    46    47    50    53    56    44    45    48    49    52  
   43    46    47    50    51    53    44    45    48  
   46    47    50    44  
   45    48    49    52    54    64    46    53  
   48    49    52  
   47    50    51    53    56  
   50    51    53  
   49    52    54    55    58    61    64    65  
   52    54    64  
   51    53    56    57  
   53    56  
   54    55    58    59    60    61    64    65    66    67    71  
   56    57  
   55    58    59    60    61    64    65    62  
   58    59    60    64  
   57  
    0  
   59    60    61    64    71    62    63  
   60    61    62  
   61    64    65    69    71    72    62    63  
   64    65    66    67    69    70    71    72    73    62    63  
   63    64    71  
    0  
   65    66    67    68    69    71    72  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73  
   71    72  
   72    73  
   73  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.000000   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   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    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  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    53   469.000  1.400
   41    42   469.000  1.400
   41    44   310.000  1.470
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    56   450.000  1.364
   56    57   553.000  0.945
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    52   317.000  1.510
   52    54   469.000  1.400
   52    64   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   469.000  1.400
   60    62   450.000  1.364
   61    64   469.000  1.400
   61    71   469.000  1.400
   64    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   450.000  1.364
   72    73   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  110.18000
   29    33    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    48    44    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    52    70.00000  112.17500
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    53    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    44    60.00000  119.52600
   40    53    50    63.00000  120.00000
   40    53    56    70.00000  120.00000
   41    42    43    35.00000  120.00000
   41    42    46    63.00000  120.00000
   41    44    45    75.00000  123.78400
   41    44    48    65.00000  115.47100
   42    46    47    35.00000  120.00000
   42    46    50    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    53    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    53    56    70.00000  120.00000
   53    40    41    63.00000  120.00000
   53    50    51    35.00000  120.00000
   53    56    57    35.00000  113.00000
   44    41    42    60.00000  119.52600
   44    48    49    35.00000  109.50000
   44    48    52    70.00000  110.93000
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    52    54    70.00000  120.00000
   48    52    64    70.00000  120.00000
   52    48    49    35.00000  109.50000
   52    54    55    35.00000  120.00000
   52    54    58    63.00000  120.00000
   52    64    61    63.00000  120.00000
   52    64    65    63.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    60    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    60    61    63.00000  120.00000
   58    60    62    70.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    64    63.00000  120.00000
   60    61    71    63.00000  120.00000
   60    62    63    35.00000  113.00000
   61    64    65    63.00000  120.00000
   61    71    69    63.00000  120.00000
   61    71    72    70.00000  120.00000
   64    52    54    63.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    70.00000  120.00000
   71    61    64    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  113.00000
   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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   0.20000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    53   2.26350  1.0 1.0
   33    38    40    53   0.76750 -1.0 2.0
   33    38    40    53   0.22500  1.0 3.0
   33    48    52    54   0.04150 -1.0 2.0
   33    48    52    64   0.04150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    44  -0.11250  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    52   0.43200  1.0 3.0
   38    33    48    44   0.11950  1.0 1.0
   38    33    48    44   0.20300 -1.0 2.0
   38    33    48    44  -0.70800  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    52   0.56750  1.0 1.0
   38    33    48    52  -0.07550 -1.0 2.0
   38    33    48    52   0.20000  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    44   3.62500 -1.0 2.0
   38    40    53    50   3.62500 -1.0 2.0
   38    40    53    56   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    53   1.05000 -1.0 2.0
   40    41    42    43   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    44    45   1.05000 -1.0 2.0
   40    41    44    48   2.26350  1.0 1.0
   40    41    44    48   0.76750 -1.0 2.0
   40    41    44    48   0.22500  1.0 3.0
   40    53    56    57   0.84100 -1.0 2.0
   41    40    53    50   3.62500 -1.0 2.0
   41    40    53    56   3.62500 -1.0 2.0
   41    42    46    47   3.62500 -1.0 2.0
   41    42   -46    50   3.62500 -1.0 2.0
   41    44   -48    33   0.05850 -1.0 2.0
   41    44   -48    33   0.17250  1.0 3.0
   41    44    48    49   0.00000  1.0 1.0
   41    44    48    52   0.65300  1.0 1.0
   41    44    48    52  -0.03850 -1.0 2.0
   41    44    48    52   0.33900  1.0 3.0
   42    41    44    45   1.05000 -1.0 2.0
   42    41    44    48   2.26350  1.0 1.0
   42    41    44    48   0.76750 -1.0 2.0
   42    41    44    48   0.22500  1.0 3.0
   42    46    50    51   3.62500 -1.0 2.0
   42    46    50    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    50   -53    40   3.62500 -1.0 2.0
   46    50    53    56   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    53   3.62500 -1.0 2.0
   50    53    56    57   0.84100 -1.0 2.0
   51    50    53    40   3.62500 -1.0 2.0
   51    50    53    56   3.62500 -1.0 2.0
   53    40   -41    42   3.62500 -1.0 2.0
   53    40    41    44   3.62500 -1.0 2.0
   44    41    42    43   3.62500 -1.0 2.0
   44    41    42    46   3.62500 -1.0 2.0
   44    48    52    54   0.04300 -1.0 2.0
   44    48    52    64   0.04300 -1.0 2.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.05850 -1.0 2.0
   48    33   -38    40   0.17250  1.0 3.0
   48    52    54    55   3.62500 -1.0 2.0
   48    52    54    58   3.62500 -1.0 2.0
   48    52    64    61   3.62500 -1.0 2.0
   48    52    64    65   3.62500 -1.0 2.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    64   0.00000  1.0 1.0
   52    54    58    59   3.62500 -1.0 2.0
   52    54    58    60   3.62500 -1.0 2.0
   52    64    65    66   3.62500 -1.0 2.0
   52    64    65    67   3.62500 -1.0 2.0
   54    52    64    61   3.62500 -1.0 2.0
   54    52    64    65   3.62500 -1.0 2.0
   54    58   -60    61   3.62500 -1.0 2.0
   54    58    60    62   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    60   3.62500 -1.0 2.0
   58    60    61    64   3.62500 -1.0 2.0
   58    60    61    71   3.62500 -1.0 2.0
   58    60    62    63   0.84100 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    61   -64    52   3.62500 -1.0 2.0
   60    61    64    65   3.62500 -1.0 2.0
   60    61    71    69   3.62500 -1.0 2.0
   60    61    71    72   3.62500 -1.0 2.0
   61    60    62    63   0.84100 -1.0 2.0
   61    64    65    66   3.62500 -1.0 2.0
   61    64    65    67   3.62500 -1.0 2.0
   61    71    72    73   0.84100 -1.0 2.0
   64    52    54    55   3.62500 -1.0 2.0
   64    52   -54    58   3.62500 -1.0 2.0
   64    61    71    69   3.62500 -1.0 2.0
   64    61    71    72   3.62500 -1.0 2.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65   -67    69   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67    69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69   -71    61   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.84100 -1.0 2.0
   70    69    71    61   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    61    64    52   3.62500 -1.0 2.0
   71    61   -64    65   3.62500 -1.0 2.0
   62    60    61    64   3.62500 -1.0 2.0
   62    60    61    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    40    38    39  10.50000 -1.0 2.0
   41    53    40    38   4.00000 -1.0 2.0
   42    44    41    40   4.00000 -1.0 2.0
   46    43    42    41   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   53    51    50    46   1.10000 -1.0 2.0
   50    56    53    40   4.00000 -1.0 2.0
   41    48    44    45  10.50000 -1.0 2.0
   54    64    52    48   4.00000 -1.0 2.0
   58    55    54    52   1.10000 -1.0 2.0
   60    59    58    54   1.10000 -1.0 2.0
   61    62    60    58   4.00000 -1.0 2.0
   64    71    61    60   4.00000 -1.0 2.0
   61    65    64    52   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   69    72    71    61   4.00000 -1.0 2.0
END
