* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    131    207     389
    1     0 S   NP   _N1_     1    29.75466    90.73468   -18.28106
    2     1 S   H    _HN1     2     1.02911   129.18494    77.18353
    3     1 S   H    _H1_     3     1.02727    23.97742    48.98507
    4     1 S   H    _H2_     4     1.03486   104.91866   -50.94325
    5     1 S   CT   _CA1     5     1.50158    91.49729  -164.36156
    6     5 S   HC   _HA1     6     1.09553   105.21861    44.86226
    7     5 S   CO3  _C1_     7     1.53627   113.08608   -75.85922
    8     7 S   O2Z  _O11     8     1.26372   115.15820   -39.09409
    9     7 S   O2Z  _O12     9     1.26274   114.93778   140.30043
   10     5 S   CT   _CB1    10     1.52747   107.05100   162.89259
   11    10 S   HC   HB11    11     1.09499   108.77084   -48.83295
   12    10 S   HC   HB12    12     1.09795   110.39249    67.35705
   13    10 S   CT   _CG1    13     1.52819   113.77073  -169.56536
   14    13 S   HC   HG11    14     1.09538   111.23126   -74.59355
   15    13 S   HC   HG12    15     1.09589   110.98716    45.23736
   16    13 S   C    _CD1    16     1.51428   109.25812   164.14862
   17    16 S   O    _OE1    17     1.22866   121.70642   -99.97738
   18    16 S   N    _N2_    18     1.38339   113.18111    78.05010
   19    18 S   H    _HN2    19     1.01559   119.39632     5.46856
   20    18 S   CT1  _CA2    20     1.45735   122.35478  -174.05090
   21    20 S   HC   _HA2    21     1.09549   108.16459    37.01011
   22    20 S   C    _C2_    22     1.52810   106.79747   -80.89713
   23    22 S   O    _O2_    23     1.23017   122.60692   -41.21030
   24    20 S   CT   _CB2    32     1.53280   112.58398   160.24293
   25    24 S   HC   HB21    33     1.09689   109.52807    63.48812
   26    24 S   HC   HB22    34     1.09477   110.98923  -179.78330
   27    22 S   N    _N3_    24     1.38434   112.95029   140.81993
   28    27 S   H    _HN3    25     1.01588   120.43515    -1.32500
   29    24 S   S    _SG2    35     1.82829   114.13952   -55.01624
   30    27 S   CT   _CA3    26     1.45409   122.14873   179.28018
   31    30 S   HC   HA31    27     1.09567   107.15780   -69.17002
   32    30 S   HC   HA32    28     1.09568   108.27315    47.12834
   33    29 S   CT   _C10    36     1.84424   101.19860   -74.29854
   34    33 S   HC   _H3_    37     1.09583   107.26205    43.53581
   35    30 S   CO3  _C3_    29     1.52803   114.53764   169.04842
   36    35 S   O2Z  _O31    30     1.26344   116.05892   -11.22323
   37    35 S   O2Z  _O32    31     1.26411   114.48725   168.96681
   38    33 S   CA   _C9_    38     1.51672   111.11613   -75.67345
   39    33 S   CT   _C11    50     1.54064   109.38575   160.25658
   40    39 S   HC   _H9_    51     1.09857   110.97790   162.26901
   41    39 S   HC   _H10    52     1.09680   113.28692    43.74709
   42    38 S   CA   _C4_    39     1.40467   119.57367   110.17490
   43    42 S   HA   _H5_    40     1.08720   120.44669    -0.34887
   44    39 S   CO4  _C12    53     1.51038   110.34977   -78.56793
   45    44 S   O    _O33    54     1.22270   124.34628    87.63141
   46    42 S   CA   _C5_    41     1.39542   120.81321   179.80820
   47    46 S   HA   _H6_    42     1.08635   119.79797  -179.89347
   48    44 S   OS   _O34    55     1.36160   109.11135   -88.48707
   49    46 S   CA   _C6_    43     1.39060   119.59595     0.14537
   50    48 S   CT   _C13    56     1.44517   117.50224   162.18231
   51    50 S   HC   _H4_    57     1.09550   108.86120   -46.20431
   52    49 S   CA   _C7_    44     1.39204   120.71210     0.04846
   53    52 S   HA   _H7_    45     1.08603   120.98269   179.86730
   54    49 S   OH   _O39    48     1.36611   118.21701   179.97202
   55    54 S   HO   _H18    49     0.97237   108.59083  -179.98022
   56    50 S   CO3  _C21    58     1.53491   109.37997    75.61140
   57    56 S   O2Z  _O38    59     1.26280   116.02981    54.79929
   58    56 S   O2Z  _O37    60     1.26611   114.60210  -124.93453
   59    50 S   CT   _C14    61     1.53165   107.92084  -165.39689
   60    59 S   HC   _H11    62     1.09784   110.67832   -61.80203
   61    59 S   HC   _H12    63     1.09737   110.44555  -178.98683
   62    38 S   CA   _C8_    46     1.40491   121.86867   -69.74055
   63    62 S   HA   _H8_    47     1.08737   120.50261     0.29342
   64    59 S   CA   _C15    64     1.51326   111.49036    59.30078
   65    64 S   CA   _C16    65     1.40181   120.73491    76.83430
   66    65 S   HA   _H13    66     1.08735   120.23967     2.44032
   67    65 S   CA   _C17    67     1.39701   120.55442  -176.62072
   68    67 S   HA   _H14    68     1.08640   119.35632   179.44468
   69    67 S   CA   _C18    69     1.39339   119.72090    -0.11703
   70    69 S   CA   _C19    70     1.39212   120.17926    -0.34321
   71    69 S   OH   _O36    75     1.36667   120.73954   179.14362
   72    71 S   HO   _H17    76     0.97717   109.24562    -5.47812
   73    64 S   CA   _C20    71     1.40307   120.05426  -100.19002
   74    73 S   HA   _H15    72     1.08718   119.75273    -2.12431
   75    70 S   OH   _O35    73     1.36760   119.34352   179.59170
   76    75 S   HO   _H16    74     0.97198   108.70559  -179.21890
  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
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3   9
   6  10   7   5   3   2   1   6   2   1   9   4   3   1   1   9
   8   4   7   3   7   6   3   1   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    62    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    62    63    39    40    41    44    45    48  
   38    42    62    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    53    62    63    39    40    41    44  
   40    41    44    45    48    50    42    62  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    62    63    54  
   46    47    49    62  
   45    48    50    51    56    59  
   48    50  
   47    49    52    53    62    54    55  
   49    52    54  
   50    51    56    57    58    59    60    61    64  
   52    53    62    63    54    55  
   51    56    57    58    59    60    61    64    65    73  
   56    57    58    59    60    61    64  
   53    62    63    54    55  
   62    63    54  
   55    62  
    0  
   57    58    59    60    61    64  
   58    59  
   59  
   60    61    64    65    66    67    70    73    74  
   61    64    65    73  
   64    65    73  
   63  
    0  
   65    66    67    68    69    70    73    74    75  
   66    67    68    69    70    73    74    71  
   67    68    69    73  
   68    69    70    73    75    71    72  
   69    70    71  
   70    73    74    75    76    71    72  
   73    74    75    76    71    72  
   72    73    75  
    0  
   74    75    76  
   75  
   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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   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  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    62   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    62   469.000  1.400
   62    63   367.000  1.080
   54    55   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    56   317.000  1.522
   50    59   268.000  1.529
   56    57   656.000  1.250
   56    58   656.000  1.250
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   317.000  1.510
   64    65   469.000  1.400
   64    73   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   469.000  1.400
   69    71   450.000  1.364
   70    73   469.000  1.400
   70    75   450.000  1.364
   73    74   367.000  1.080
   75    76   553.000  0.945
   71    72   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    62    52    63.00000  120.00000
   38    62    63    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    54    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    62    63.00000  120.00000
   49    54    55    35.00000  113.00000
   52    62    63    35.00000  120.00000
   62    38    42    63.00000  120.00000
   62    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    56    85.00000  109.63000
   48    50    59    50.00000  109.50000
   50    56    57    70.00000  117.00000
   50    56    58    70.00000  117.00000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    64    70.00000  112.17500
   56    50    51    35.00000  109.50000
   58    56    57    80.00000  126.00000
   59    50    51    37.50000  110.70000
   59    50    56    70.00000  109.69300
   59    64    65    70.00000  120.00000
   59    64    73    70.00000  120.00000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    73    70    63.00000  120.00000
   64    73    74    35.00000  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    63.00000  120.00000
   67    69    71    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    70    75    70.00000  120.00000
   69    71    72    35.00000  113.00000
   70    73    74    35.00000  120.00000
   70    75    76    35.00000  113.00000
   73    64    65    63.00000  120.00000
   75    70    73    70.00000  120.00000
   71    69    70    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    62    52   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    62    52   3.62500 -1.0 2.0
   42    38    62    63   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    62   3.62500 -1.0 2.0
   46    49    54    55   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    52   -62    38   3.62500 -1.0 2.0
   49    52    62    63   3.62500 -1.0 2.0
   52    49    54    55   0.84100 -1.0 2.0
   53    52    62    38   3.62500 -1.0 2.0
   53    52    62    63   3.62500 -1.0 2.0
   62    38    42    43   3.62500 -1.0 2.0
   62    38   -42    46   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    62   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    62   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    56  -1.80650  1.0 1.0
   44    48    50    56   0.63900 -1.0 2.0
   44    48    50    56   0.03650  1.0 3.0
   44    48    50    59  -0.25900  1.0 1.0
   44    48    50    59  -0.47000 -1.0 2.0
   44    48    50    59   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    56    57   0.30150 -1.0 2.0
   48    50    56    58   0.30150 -1.0 2.0
   48    50    59    60   0.23400  1.0 3.0
   48    50    59    61   0.23400  1.0 3.0
   48    50    59    64  -0.64350  1.0 1.0
   48    50    59    64  -0.04200 -1.0 2.0
   48    50    59    64   0.19800  1.0 3.0
   50    59    64    65   0.04150 -1.0 2.0
   50    59    64    73   0.04150 -1.0 2.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.00000  1.0 1.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   51    50    59    64   0.43200  1.0 3.0
   56    50    59    60  -0.11250  1.0 3.0
   56    50    59    61  -0.11250  1.0 3.0
   56    50    59    64  -2.95950  1.0 1.0
   56    50    59    64   0.02300  1.0 3.0
   59    50    56    57   0.41150 -1.0 2.0
   59    50    56    58   0.41150 -1.0 2.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    67   3.62500 -1.0 2.0
   59    64    73    70   3.62500 -1.0 2.0
   59    64    73    74   3.62500 -1.0 2.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    73   0.00000  1.0 1.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    73   0.00000  1.0 1.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    69   3.62500 -1.0 2.0
   65    64    73    70   3.62500 -1.0 2.0
   65    64    73    74   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    70    73   3.62500 -1.0 2.0
   67    69    70    75   3.62500 -1.0 2.0
   67    69    71    72   0.84100 -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    70   -73    64   3.62500 -1.0 2.0
   69    70    73    74   3.62500 -1.0 2.0
   69    70    75    76   0.84100 -1.0 2.0
   70    69    71    72   0.84100 -1.0 2.0
   73    64    65    66   3.62500 -1.0 2.0
   73    64   -65    67   3.62500 -1.0 2.0
   73    70    75    76   0.84100 -1.0 2.0
   75    70    73    64   3.62500 -1.0 2.0
   75    70    73    74   3.62500 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   71    69    70    75   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
   42    62    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    54    49    46   4.00000 -1.0 2.0
   62    53    52    49   1.10000 -1.0 2.0
   52    63    62    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   57    50    56    58  10.50000 -1.0 2.0
   65    73    64    59   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
   70    71    69    67   4.00000 -1.0 2.0
   73    75    70    69   4.00000 -1.0 2.0
   70    74    73    64   1.10000 -1.0 2.0
END
