* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    133    224     400
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085    93.03654   -63.90076
    3     1 S   H    _H1_     3     1.02047    87.36984    44.66821
    4     1 S   H    _H2_     4     1.02100    33.17708   175.74200
    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     1.82445    98.17279   161.77578
   34    33 S   HC   _H3_    37     1.10269   105.90781   -45.73565
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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  _C20    38     1.51368   107.28635  -160.03694
   39    38 S   O    _O24    39     1.22879   121.24642    84.34450
   40    38 S   CA   _C11    40     1.48223   118.59379   -92.80788
   41    40 S   CA   _C8_    41     1.39668   121.21800    -7.44801
   42    41 S   CA   _C9_    42     1.40012   119.95058   177.85762
   43    41 S   CO4  _C19    71     1.47952   120.95415    -3.15343
   44    43 S   O    _O23    72     1.22704   120.60029   172.21349
   45    42 S   CA   _C13    43     1.39480   120.09209     0.53155
   46    42 S   CM   _C16    51     1.47546   123.75422  -177.70083
   47    33 S   CT   _C22    73     1.51995   111.37182    75.39725
   48    47 S   HC   _H35    74     1.10445   112.70770   -45.16653
   49    45 S   CA   _C6_    44     1.39353   120.01232    -0.04846
   50    49 S   HA   _H34    45     1.08687   119.92339   179.45070
   51    45 S   OH   _O26    49     1.36478   121.76814  -179.74589
   52    51 S   HO   _H38    50     0.96937   110.00968   179.74512
   53    46 S   CO4  _C18    52     1.49049   118.95262    90.02735
   54    53 S   O    _O22    53     1.22616   121.32824    -0.64650
   55    47 S   OH   _O30    75     1.42447   109.74357  -164.72102
   56    55 S   HO   _H42    76     0.97098   106.77848   176.68554
   57    40 S   CA   _C15    46     1.40086   119.03644   171.14585
   58    53 S   CA   _C10    54     1.47428   118.16043   179.58316
   59    57 S   OH   _O28    47     1.36345   122.96930     2.30690
   60    59 S   HO   _H40    48     0.96987   110.12853    -0.46013
   61    58 S   CA   _C7_    55     1.39411   120.57970     0.16551
   62    61 S   CA   _C4_    56     1.40017   119.97286   179.89165
   63    62 S   HA   _H32    57     1.08764   120.97390   180.00000
   64    61 S   CO4  _C17    66     1.47254   120.49979    -0.07402
   65    64 S   O    _O21    67     1.22586   121.06477  -179.97202
   66    62 S   CA   _C12    58     1.39540   120.00312     0.11869
   67    46 S   CM   _C21    68     1.34380   120.06259   -90.37069
   68    66 S   CA   _C5_    59     1.39378   120.04839    -0.03956
   69    68 S   HA   _H33    60     1.08735   119.83814   179.97202
   70    66 S   OH   _O25    64     1.36084   119.98577   179.92087
   71    70 S   HO   _H37    65     0.97063   110.28758    -0.00000
   72    67 S   OH   _O29    69     1.38320   121.55762    -0.05595
   73    72 S   HO   _H41    70     0.96063   109.66895  -179.96044
   74    58 S   CA   _C14    61     1.40026   119.54251  -179.78878
   75    74 S   OH   _O27    62     1.36304   122.84885    -0.02798
   76    75 S   HO   _H39    63     0.96986   110.16103     0.09279
  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
  12   7   2   1   1  11   4  12  14  16   8   3   9  12   3   2
   6   3   2   1  10   4   1   1   2  12   1   1  11  10   4   6
   2   6   2   6   3   2   1   1   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    48    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    57    43    44    47    48    55    56  
   38    39    40    43    47    48    55  
   36    37  
   37  
    0  
   39    40    41    42    49    57    59    43    47    48    55  
   40    41    57    47  
   41    42    45    49    50    57    59    60    46    43    44    47  
   42    45    49    57    59    51    46    53    67    43    44    47    48    55  
   45    49    50    57    51    52    46    53    54    58    64    67    72    43    44    47  
   44    47    48    55    56    45    46    57  
   47    48    55  
   49    50    57    59    51    52    46    53    67  
   53    54    58    61    74    64    65    67    72    73    49    51  
   48    55    56  
   55    56  
   50    57    59    60    51    52  
   57    59    51  
   52    57  
    0  
   54    58    61    62    68    74    75    64    67    72  
   58    61    74    67  
   56  
    0  
   59    60  
   61    62    63    66    68    69    74    75    76    64    65    67  
   60  
    0  
   62    63    66    68    74    75    70    64    65    67    72  
   63    66    68    69    74    70    71    64    65    67  
   66    68    70    64  
   65    67    72    73    66    74  
   67    72  
   68    69    74    75    70    71  
   72    73  
   69    74    75    76    70    71  
   74    75    70  
   71    74  
    0  
   73  
    0  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   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   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    57   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    46   320.000  1.460
   45    49   469.000  1.400
   45    51   450.000  1.364
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    59   450.000  1.364
   59    60   553.000  0.945
   51    52   553.000  0.945
   46    53   320.000  1.462
   46    67   549.000  1.340
   53    54   570.000  1.229
   53    58   310.000  1.470
   58    61   469.000  1.400
   58    74   469.000  1.400
   61    62   469.000  1.400
   61    64   310.000  1.470
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    68   469.000  1.400
   66    70   450.000  1.364
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   450.000  1.364
   75    76   553.000  0.945
   70    71   553.000  0.945
   64    65   570.000  1.229
   64    67   320.000  1.462
   67    72   510.000  1.338
   72    73   553.000  0.945
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    55   320.000  1.410
   55    56   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    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    43    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    57    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    57    49    63.00000  120.00000
   40    57    59    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    60.00000  118.70000
   41    43    44    75.00000  123.78400
   41    43    47    65.00000  115.47100
   42    45    49    63.00000  120.00000
   42    45    51    70.00000  120.00000
   42    46    53    60.00000  124.00000
   42    46    67    60.00000  123.66000
   45    49    50    35.00000  120.00000
   45    49    57    63.00000  120.00000
   45    51    52    35.00000  113.00000
   49    57    59    70.00000  120.00000
   57    40    41    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    59    60    35.00000  113.00000
   51    45    49    70.00000  120.00000
   46    42    45    60.00000  118.70000
   46    53    54    80.00000  123.72100
   46    53    58    65.00000  117.02400
   46    67    64    65.00000  118.96000
   46    67    72    80.00000  121.38400
   53    58    61    60.00000  119.52600
   53    58    74    60.00000  119.52600
   58    53    54    75.00000  123.78400
   58    61    62    63.00000  120.00000
   58    61    64    60.00000  119.52600
   58    74    68    63.00000  120.00000
   58    74    75    70.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    75.00000  123.78400
   61    64    67    65.00000  117.02400
   62    66    68    63.00000  120.00000
   62    66    70    70.00000  120.00000
   66    62    63    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    74    63.00000  120.00000
   66    70    71    35.00000  113.00000
   68    74    75    70.00000  120.00000
   74    58    61    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    75    76    35.00000  113.00000
   70    66    68    70.00000  120.00000
   64    61    62    60.00000  119.52600
   64    67    72    85.00000  116.28000
   67    46    53    65.00000  118.96000
   67    64    65    80.00000  123.72100
   67    72    73    70.00000  107.45700
   43    41    42    60.00000  119.52600
   43    47    48    35.00000  109.50000
   43    47    55    90.00000  109.61100
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    43    44    80.00000  120.40000
   47    55    56    55.00000  108.50000
   55    47    48    35.00000  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    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    47    43   0.56750  1.0 1.0
   29    33    47    43  -0.07550 -1.0 2.0
   29    33    47    43   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    55   0.56750  1.0 1.0
   29    33    47    55  -0.07550 -1.0 2.0
   29    33    47    55   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    57   2.26350  1.0 1.0
   33    38    40    57   0.76750 -1.0 2.0
   33    38    40    57   0.22500  1.0 3.0
   33    47    55    56  -0.11600  1.0 1.0
   33    47    55    56  -0.09450 -1.0 2.0
   33    47    55    56   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    55   0.23400  1.0 3.0
   38    33    47    43   0.11950  1.0 1.0
   38    33    47    43   0.20300 -1.0 2.0
   38    33    47    43  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    55  -0.09450  1.0 1.0
   38    33    47    55  -1.12950 -1.0 2.0
   38    33    47    55   0.54000  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    57    49   3.62500 -1.0 2.0
   38    40    57    59   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    57   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    47   2.26350  1.0 1.0
   40    41    43    47   0.76750 -1.0 2.0
   40    41    43    47   0.22500  1.0 3.0
   40    57    59    60   0.84100 -1.0 2.0
   41    40    57    49   3.62500 -1.0 2.0
   41    40    57    59   3.62500 -1.0 2.0
   41    42   -45    49   3.62500 -1.0 2.0
   41    42    45    51   3.62500 -1.0 2.0
   41    42    46    53  -0.01750  1.0 1.0
   41    42    46    53  -0.32000 -1.0 2.0
   41    42    46    53   0.00600  1.0 3.0
   41    42    46    67   0.15800  1.0 1.0
   41    42    46    67   1.85350 -1.0 2.0
   41    42    46    67  -0.48700  1.0 3.0
   41    43   -47    33   0.05850 -1.0 2.0
   41    43   -47    33   0.17250  1.0 3.0
   41    43    47    48   0.00000  1.0 1.0
   41    43    47    55   0.65300  1.0 1.0
   41    43    47    55  -0.03850 -1.0 2.0
   41    43    47    55   0.33900  1.0 3.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    47   2.26350  1.0 1.0
   42    41    43    47   0.76750 -1.0 2.0
   42    41    43    47   0.22500  1.0 3.0
   42    45    49    50   3.62500 -1.0 2.0
   42    45    49    57   3.62500 -1.0 2.0
   42    45    51    52   0.84100 -1.0 2.0
   42    46    53    54  -0.52200  1.0 1.0
   42    46    53    54   0.82950 -1.0 2.0
   42    46    53    58   1.50000 -1.0 2.0
   42    46    67    64   7.00000 -1.0 2.0
   42    46    67    72   7.00000 -1.0 2.0
   45    42    46    53  -0.01750  1.0 1.0
   45    42    46    53  -0.32000 -1.0 2.0
   45    42    46    53   0.00600  1.0 3.0
   45    42    46    67   0.15800  1.0 1.0
   45    42    46    67   1.85350 -1.0 2.0
   45    42    46    67  -0.48700  1.0 3.0
   45    49   -57    40   3.62500 -1.0 2.0
   45    49    57    59   3.62500 -1.0 2.0
   49    45    51    52   0.84100 -1.0 2.0
   49    57    59    60   0.84100 -1.0 2.0
   50    49    57    40   3.62500 -1.0 2.0
   50    49    57    59   3.62500 -1.0 2.0
   57    40   -41    42   3.62500 -1.0 2.0
   57    40    41    43   3.62500 -1.0 2.0
   51    45    49    50   3.62500 -1.0 2.0
   51    45    49    57   3.62500 -1.0 2.0
   46    42    45    49   3.62500 -1.0 2.0
   46    42    45    51   3.62500 -1.0 2.0
   46    53    58    61  -0.11500  1.0 1.0
   46    53    58    61   1.10450 -1.0 2.0
   46    53    58    61  -0.48050  1.0 3.0
   46    53    58    74  -0.11500  1.0 1.0
   46    53    58    74   1.10450 -1.0 2.0
   46    53    58    74  -0.48050  1.0 3.0
   46    67    72    73  -0.66100  1.0 1.0
   46    67    72    73   1.20850 -1.0 2.0
   46    67    72    73  -0.36000  1.0 3.0
   53    46    67    64   7.00000 -1.0 2.0
   53    46    67    72   7.00000 -1.0 2.0
   53    58    61    62   3.62500 -1.0 2.0
   53    58   -61    64   3.62500 -1.0 2.0
   53    58    74    68   3.62500 -1.0 2.0
   53    58    74    75   3.62500 -1.0 2.0
   54    53    58    61   1.05000 -1.0 2.0
   54    53    58    74   1.05000 -1.0 2.0
   58    61    62    63   3.62500 -1.0 2.0
   58    61    62    66   3.62500 -1.0 2.0
   58    61    64    65   1.05000 -1.0 2.0
   58    61    64    67  -0.11500  1.0 1.0
   58    61    64    67   1.10450 -1.0 2.0
   58    61    64    67  -0.48050  1.0 3.0
   58    74    75    76   0.84100 -1.0 2.0
   61    58    74    68   3.62500 -1.0 2.0
   61    58    74    75   3.62500 -1.0 2.0
   61    62   -66    68   3.62500 -1.0 2.0
   61    62    66    70   3.62500 -1.0 2.0
   61    64   -67    46  -1.65800  1.0 1.0
   61    64   -67    46   0.77650 -1.0 2.0
   61    64    67    72   1.50000 -1.0 2.0
   62    61    64    65   1.05000 -1.0 2.0
   62    61    64    67  -0.11500  1.0 1.0
   62    61    64    67   1.10450 -1.0 2.0
   62    61    64    67  -0.48050  1.0 3.0
   62    66    68    69   3.62500 -1.0 2.0
   62    66    68    74   3.62500 -1.0 2.0
   62    66    70    71   0.84100 -1.0 2.0
   63    62    66    68   3.62500 -1.0 2.0
   63    62    66    70   3.62500 -1.0 2.0
   66    68   -74    58   3.62500 -1.0 2.0
   66    68    74    75   3.62500 -1.0 2.0
   68    66    70    71   0.84100 -1.0 2.0
   68    74    75    76   0.84100 -1.0 2.0
   69    68    74    58   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   74    58   -61    62   3.62500 -1.0 2.0
   74    58    61    64   3.62500 -1.0 2.0
   70    66    68    69   3.62500 -1.0 2.0
   70    66    68    74   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   64    67    72    73   2.00000 -1.0 2.0
   65    64    67    46   1.00000 -1.0 2.0
   65    64    67    72  -0.11900  1.0 1.0
   65    64    67    72   0.76850 -1.0 2.0
   65    64    67    72   0.14100  1.0 3.0
   67    46    53    54   1.00000 -1.0 2.0
   67    46   -53    58  -1.65800  1.0 1.0
   67    46   -53    58   0.77650 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   43    47    55    56   0.91850  1.0 1.0
   43    47    55    56   0.57950  1.0 3.0
   44    43    47    33   0.30150 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    55   0.30150 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  1.0 3.0
   48    47    55    56   0.19450  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    57    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   49    51    45    42   4.00000 -1.0 2.0
   57    50    49    45   1.10000 -1.0 2.0
   49    59    57    40   4.00000 -1.0 2.0
   42    53    46    67   1.10000 -1.0 2.0
   46    58    53    54  10.50000 -1.0 2.0
   61    74    58    53   4.00000 -1.0 2.0
   62    64    61    58   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   68    70    66    62   4.00000 -1.0 2.0
   74    69    68    66   1.10000 -1.0 2.0
   68    75    74    58   4.00000 -1.0 2.0
   61    67    64    65  10.50000 -1.0 2.0
   64    72    67    46   1.10000 -1.0 2.0
   41    47    43    44  10.50000 -1.0 2.0
END
