* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    133    226     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02103    34.46140  -171.49541
    3     1 S   H    _H1_     3     1.02110    96.44283   -57.55938
    4     1 S   H    _H2_     4     1.02031    83.28768    50.58583
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.83776    98.16030   161.79929
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C19    37     1.52458   105.91502   -60.01441
   38    37 S   O    _O23    38     1.22732   122.71279    95.59870
   39    33 S   CT   _C22    49     1.54344   114.97937   177.85297
   40    39 S   HC   _H36    50     1.12485   107.05966  -176.09104
   41    33 S   OH   _O30    75     1.42721   109.59764    53.74820
   42    41 S   HO   _H42    76     0.96977   106.58150   -53.84343
   43    37 S   CA   _C7_    39     1.48153   117.39750   -82.53485
   44    39 S   CA   _C11    51     1.52701   113.63753   -62.28569
   45    43 S   CA   _C4_    40     1.40048   119.00857   162.72423
   46    45 S   HA   _H32    41     1.08733   120.95342     1.06680
   47    44 S   CA   _C8_    52     1.39960   123.09981   -85.91041
   48    45 S   CA   _C12    42     1.39495   120.03094  -178.27751
   49    47 S   CA   _C9_    53     1.39622   119.86050   179.92867
   50    48 S   CA   _C5_    43     1.39248   120.02848     0.03956
   51    50 S   HA   _H33    44     1.08804   119.82894   179.91844
   52    49 S   CA   _C13    54     1.39900   120.05483     0.04846
   53    49 S   CO4  _C18    62     1.47499   120.42412  -179.94065
   54    53 S   O    _O22    63     1.22566   122.98657  -179.96574
   55    48 S   OH   _O25    73     1.36123   119.95926   179.78878
   56    55 S   HO   _H37    74     0.97023   110.27103     0.07133
   57    50 S   CA   _C14    45     1.39544   120.10045    -0.35054
   58    52 S   CA   _C6_    55     1.39584   119.89486    -0.00000
   59    58 S   HA   _H34    56     1.08743   120.02680  -179.92867
   60    52 S   OH   _O26    60     1.36352   122.76552   179.98022
   61    60 S   HO   _H38    61     0.96946   110.14276    -0.03426
   62    53 S   CM   _C16    64     1.47735   117.66757    -0.01978
   63    62 S   HC   _H35    65     1.08557   116.93969  -179.94405
   64    43 S   CA   _C10    46     1.39751   120.93907   -16.01798
   65    44 S   CA   _C15    57     1.39472   116.91816    94.09576
   66    62 S   CM   _C21    66     1.33473   122.20582    -0.01978
   67    57 S   OH   _O27    71     1.36414   116.88951  -179.38166
   68    67 S   HO   _H39    72     0.96876   110.12347   179.97202
   69    64 S   CO4  _C20    47     1.48418   121.22012    -3.66698
   70    69 S   O    _O24    48     1.22738   119.28367   178.85329
   71    65 S   OH   _O28    58     1.36307   121.09019    -0.06853
   72    71 S   HO   _H40    59     0.96986   110.22373  -179.93147
   73    47 S   CO4  _C17    67     1.47670   119.53146    -0.03956
   74    73 S   O    _O21    68     1.22478   123.04662    -0.02798
   75    66 S   OH   _O29    69     1.38055   120.34382  -179.97202
   76    75 S   HO   _H41    70     0.96249   109.78093  -179.90935
  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  10   5   4   3
  14   2   1   1  13   5  15   7   4   1  10  15   9   4  14   7
  13   8   4  10   8   3   2   1   5   6   3   2   1   6   3   4
   4   4   2   1   1   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    69    39    40    44    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    45    64    69    70    39    40    44    47    65    41    42  
   35    36  
   36  
    0  
   38    43    45    46    48    57    64    69    39    40    44    41    42  
   43    45    64    39    41  
   40    44    47    49    58    65    71    73    41    42    43    57    64    69    70  
   44    47    65    41    64    69    70  
   42    43    44    69  
    0  
   45    46    48    50    57    64    69    70    67    55  
   47    49    52    58    59    65    71    72    53    66    73    74    64    69    70  
   46    48    50    51    57    64    69    55    56  
   48    50    64    55  
   49    52    58    65    71    60    53    54    62    66    73    74    75    69  
   50    51    57    64    67    55    56  
   52    58    59    65    60    61    53    54    62    63    66    73    74  
   51    57    64    69    67    68    55    56  
   57    64    67    55  
   58    59    65    71    60    61    53    54    62    73  
   54    62    63    66    73    75    58    60  
   62    63    66  
   56    57  
    0  
   64    69    70    67    68  
   59    65    71    72    60    61  
   65    71    60  
   61    65  
    0  
   63    66    73    74    75    76  
   66    73    75  
   69    70    67    68  
   71    72    73    69  
   73    74    75    76  
   68    69  
    0  
   70  
    0  
   72  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.355200   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    45   469.000  1.400
   43    64   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    55   450.000  1.364
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    64   469.000  1.400
   57    67   450.000  1.364
   64    69   310.000  1.470
   69    70   570.000  1.229
   69    39   317.000  1.522
   39    40   340.000  1.090
   39    44   317.000  1.510
   44    47   469.000  1.400
   44    65   469.000  1.400
   47    49   469.000  1.400
   47    73   310.000  1.470
   49    52   469.000  1.400
   49    53   310.000  1.470
   52    58   469.000  1.400
   52    60   450.000  1.364
   58    59   367.000  1.080
   58    65   469.000  1.400
   65    71   450.000  1.364
   71    72   553.000  0.945
   60    61   553.000  0.945
   53    54   570.000  1.229
   53    62   320.000  1.462
   62    63   340.000  1.080
   62    66   549.000  1.340
   66    73   320.000  1.462
   66    75   510.000  1.338
   73    74   570.000  1.229
   75    76   553.000  0.945
   67    68   553.000  0.945
   55    56   553.000  0.945
   41    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    69    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    44    70.00000  112.17500
   33    41    42    55.00000  108.50000
   37    43    45    60.00000  119.52600
   37    43    64    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    45    46    35.00000  120.00000
   43    45    48    63.00000  120.00000
   43    64    57    63.00000  120.00000
   43    64    69    60.00000  119.52600
   45    48    50    63.00000  120.00000
   45    48    55    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    57    63.00000  120.00000
   48    55    56    35.00000  113.00000
   50    57    64    63.00000  120.00000
   50    57    67    70.00000  120.00000
   57    50    51    35.00000  120.00000
   57    64    69    60.00000  119.52600
   57    67    68    35.00000  113.00000
   64    43    45    63.00000  120.00000
   64    69    70    75.00000  123.78400
   64    69    39    65.00000  115.47100
   69    39    40    35.00000  109.50000
   69    39    44    70.00000  110.93000
   39    33    37    63.00000  111.10000
   39    69    70    80.00000  120.40000
   39    44    47    70.00000  120.00000
   39    44    65    70.00000  120.00000
   44    39    40    35.00000  109.50000
   44    47    49    63.00000  120.00000
   44    47    73    60.00000  119.52600
   44    65    58    63.00000  120.00000
   44    65    71    70.00000  120.00000
   47    49    52    63.00000  120.00000
   47    49    53    60.00000  119.52600
   47    73    66    65.00000  117.02400
   47    73    74    75.00000  123.78400
   49    52    58    63.00000  120.00000
   49    52    60    70.00000  120.00000
   49    53    54    75.00000  123.78400
   49    53    62    65.00000  117.02400
   52    58    59    35.00000  120.00000
   52    58    65    63.00000  120.00000
   52    60    61    35.00000  113.00000
   58    65    71    70.00000  120.00000
   65    44    47    63.00000  120.00000
   65    58    59    35.00000  120.00000
   65    71    72    35.00000  113.00000
   60    52    58    70.00000  120.00000
   53    49    52    60.00000  119.52600
   53    62    63    40.00000  117.72500
   53    62    66    65.00000  118.96000
   62    53    54    80.00000  123.72100
   62    66    73    65.00000  118.96000
   62    66    75    80.00000  121.38400
   66    62    63    35.00000  120.00000
   66    73    74    80.00000  123.72100
   66    75    76    70.00000  107.45700
   73    47    49    60.00000  119.52600
   75    66    73    85.00000  116.28000
   67    57    64    70.00000  120.00000
   55    48    50    70.00000  120.00000
   41    33    37    90.00000  109.61100
   41    33    39    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   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
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    45   2.26350  1.0 1.0
   33    37    43    45   0.76750 -1.0 2.0
   33    37    43    45   0.22500  1.0 3.0
   33    37    43    64   2.26350  1.0 1.0
   33    37    43    64   0.76750 -1.0 2.0
   33    37    43    64   0.22500  1.0 3.0
   33    39    44    47   0.04150 -1.0 2.0
   33    39    44    65   0.04150 -1.0 2.0
   37    33    39    69   0.11950  1.0 1.0
   37    33    39    69   0.20300 -1.0 2.0
   37    33    39    69  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44   0.56750  1.0 1.0
   37    33    39    44  -0.07550 -1.0 2.0
   37    33    39    44   0.20000  1.0 3.0
   37    33    41    42   0.91850  1.0 1.0
   37    33    41    42   0.57950  1.0 3.0
   37    43    45    46   3.62500 -1.0 2.0
   37    43    45    48   3.62500 -1.0 2.0
   37    43    64    57   3.62500 -1.0 2.0
   37    43   -64    69   3.62500 -1.0 2.0
   38    37    43    45   1.05000 -1.0 2.0
   38    37    43    64   1.05000 -1.0 2.0
   43    45    48    50   3.62500 -1.0 2.0
   43    45    48    55   3.62500 -1.0 2.0
   43    64    69    70   1.05000 -1.0 2.0
   43    64    69    39   2.26350  1.0 1.0
   43    64    69    39   0.76750 -1.0 2.0
   43    64    69    39   0.22500  1.0 3.0
   45    43    64    57   3.62500 -1.0 2.0
   45    43    64    69   3.62500 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48   -50    57   3.62500 -1.0 2.0
   45    48    55    56   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    55   3.62500 -1.0 2.0
   48    50    57    64   3.62500 -1.0 2.0
   48    50    57    67   3.62500 -1.0 2.0
   50    48    55    56   0.84100 -1.0 2.0
   50    57   -64    43   3.62500 -1.0 2.0
   50    57    64    69   3.62500 -1.0 2.0
   50    57    67    68   0.84100 -1.0 2.0
   51    50    57    64   3.62500 -1.0 2.0
   51    50    57    67   3.62500 -1.0 2.0
   57    64    69    70   1.05000 -1.0 2.0
   57    64    69    39   2.26350  1.0 1.0
   57    64    69    39   0.76750 -1.0 2.0
   57    64    69    39   0.22500  1.0 3.0
   64    43    45    46   3.62500 -1.0 2.0
   64    43   -45    48   3.62500 -1.0 2.0
   64    57    67    68   0.84100 -1.0 2.0
   64    69   -39    33   0.05850 -1.0 2.0
   64    69   -39    33   0.17250  1.0 3.0
   64    69    39    40   0.00000  1.0 1.0
   64    69    39    44   0.65300  1.0 1.0
   64    69    39    44  -0.03850 -1.0 2.0
   64    69    39    44   0.33900  1.0 3.0
   69    39    44    47   0.04300 -1.0 2.0
   69    39    44    65   0.04300 -1.0 2.0
   70    69    39    33   0.30150 -1.0 2.0
   70    69    39    40   0.00000  1.0 1.0
   70    69    39    44   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.05850 -1.0 2.0
   39    33   -37    43   0.17250  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    44    47    49   3.62500 -1.0 2.0
   39    44    47    73   3.62500 -1.0 2.0
   39    44    65    58   3.62500 -1.0 2.0
   39    44    65    71   3.62500 -1.0 2.0
   40    39    44    47   0.00000  1.0 1.0
   40    39    44    65   0.00000  1.0 1.0
   44    47    49    52   3.62500 -1.0 2.0
   44    47    49    53   3.62500 -1.0 2.0
   44    47    73    66  -0.11500  1.0 1.0
   44    47    73    66   1.10450 -1.0 2.0
   44    47    73    66  -0.48050  1.0 3.0
   44    47    73    74   1.05000 -1.0 2.0
   44    65    71    72   0.84100 -1.0 2.0
   47    44    65    58   3.62500 -1.0 2.0
   47    44    65    71   3.62500 -1.0 2.0
   47    49   -52    58   3.62500 -1.0 2.0
   47    49    52    60   3.62500 -1.0 2.0
   47    49    53    54   1.05000 -1.0 2.0
   47    49    53    62  -0.11500  1.0 1.0
   47    49    53    62   1.10450 -1.0 2.0
   47    49    53    62  -0.48050  1.0 3.0
   49    47    73    66  -0.11500  1.0 1.0
   49    47    73    66   1.10450 -1.0 2.0
   49    47    73    66  -0.48050  1.0 3.0
   49    47    73    74   1.05000 -1.0 2.0
   49    52    58    59   3.62500 -1.0 2.0
   49    52    58    65   3.62500 -1.0 2.0
   49    52    60    61   0.84100 -1.0 2.0
   49    53    62    63   1.64500 -1.0 2.0
   49    53   -62    66  -1.65800  1.0 1.0
   49    53   -62    66   0.77650 -1.0 2.0
   52    49    53    54   1.05000 -1.0 2.0
   52    49    53    62  -0.11500  1.0 1.0
   52    49    53    62   1.10450 -1.0 2.0
   52    49    53    62  -0.48050  1.0 3.0
   52    58   -65    44   3.62500 -1.0 2.0
   52    58    65    71   3.62500 -1.0 2.0
   58    52    60    61   0.84100 -1.0 2.0
   58    65    71    72   0.84100 -1.0 2.0
   59    58    65    44   3.62500 -1.0 2.0
   59    58    65    71   3.62500 -1.0 2.0
   65    44   -47    49   3.62500 -1.0 2.0
   65    44    47    73   3.62500 -1.0 2.0
   60    52    58    59   3.62500 -1.0 2.0
   60    52    58    65   3.62500 -1.0 2.0
   53    49    52    58   3.62500 -1.0 2.0
   53    49    52    60   3.62500 -1.0 2.0
   53    62    66    73   7.00000 -1.0 2.0
   53    62    66    75   7.00000 -1.0 2.0
   54    53    62    63   0.00000  1.0 1.0
   54    53    62    66   1.00000 -1.0 2.0
   62    66   -73    47  -1.65800  1.0 1.0
   62    66   -73    47   0.77650 -1.0 2.0
   62    66    73    74   1.00000 -1.0 2.0
   62    66    75    76  -0.66100  1.0 1.0
   62    66    75    76   1.20850 -1.0 2.0
   62    66    75    76  -0.36000  1.0 3.0
   63    62    66    73   7.00000 -1.0 2.0
   63    62    66    75   7.00000 -1.0 2.0
   73    47    49    52   3.62500 -1.0 2.0
   73    47   -49    53   3.62500 -1.0 2.0
   73    66    75    76   2.00000 -1.0 2.0
   75    66    73    47   1.50000 -1.0 2.0
   75    66    73    74  -0.11900  1.0 1.0
   75    66    73    74   0.76850 -1.0 2.0
   75    66    73    74   0.14100  1.0 3.0
   67    57    64    43   3.62500 -1.0 2.0
   67    57    64    69   3.62500 -1.0 2.0
   55    48    50    51   3.62500 -1.0 2.0
   55    48    50    57   3.62500 -1.0 2.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    69  -0.09450  1.0 1.0
   41    33    39    69  -1.12950 -1.0 2.0
   41    33    39    69   0.54000  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   1.13150  1.0 1.0
   41    33    39    44  -1.01400 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   45    64    43    37   4.00000 -1.0 2.0
   48    46    45    43   1.10000 -1.0 2.0
   50    55    48    45   4.00000 -1.0 2.0
   57    51    50    48   1.10000 -1.0 2.0
   64    67    57    50   4.00000 -1.0 2.0
   57    69    64    43   4.00000 -1.0 2.0
   64    39    69    70  10.50000 -1.0 2.0
   47    65    44    39   4.00000 -1.0 2.0
   49    73    47    44   4.00000 -1.0 2.0
   52    53    49    47   4.00000 -1.0 2.0
   58    60    52    49   4.00000 -1.0 2.0
   65    59    58    52   1.10000 -1.0 2.0
   58    71    65    44   4.00000 -1.0 2.0
   49    62    53    54  10.50000 -1.0 2.0
   53    63    62    66   1.10000 -1.0 2.0
   73    75    66    62   1.10000 -1.0 2.0
   47    66    73    74  10.50000 -1.0 2.0
END
