* 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     1.02091    49.20192    98.44330
    3     1 S   H    _H1_     3     1.02178    63.12414  -106.02119
    4     1 S   H    _H2_     4     1.02037   105.95026    -2.75044
    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     1.87403    98.16397   161.76699
   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   CA   _C11    37     1.54760   109.81179    40.02352
   38    33 S   CO4  _C20    57     1.54254   106.14987   159.35339
   39    38 S   O    _O24    58     1.22894   122.98556  -100.81643
   40    37 S   CA   _C8_    38     1.39909   123.10930    56.65905
   41    38 S   CA   _C10    59     1.48768   118.66287    77.38840
   42    40 S   CA   _C9_    39     1.39669   119.88148   179.94405
   43    41 S   CA   _C7_    60     1.39705   121.38034    11.46807
   44    42 S   CA   _C13    40     1.40021   120.03035     0.00000
   45    42 S   CO4  _C18    48     1.47482   120.49193  -179.96574
   46    45 S   O    _O22    49     1.22461   123.04099   180.00000
   47    43 S   CA   _C4_    61     1.40042   120.18651  -178.03596
   48    47 S   HA   _H32    62     1.08718   120.91515  -179.79826
   49    43 S   CO4  _C19    71     1.47650   120.48514     2.64752
   50    49 S   O    _O23    72     1.22655   120.50135  -168.96347
   51    44 S   CA   _C6_    41     1.39472   119.86650     0.02798
   52    51 S   HA   _H34    42     1.08774   120.03692  -180.00000
   53    44 S   OH   _O26    46     1.36273   122.77641   179.95154
   54    53 S   HO   _H38    47     0.96986   110.11242     0.05935
   55    45 S   CM   _C16    50     1.47837   117.61415     0.02798
   56    55 S   HC   _H35    51     1.08537   116.91404  -179.96044
   57    47 S   CA   _C12    63     1.39437   119.95665    -0.50202
   58    33 S   CT   _C22    73     1.54847   107.96482   -85.09033
   59    58 S   HC   _H36    74     1.09248   110.45217   178.93210
   60    37 S   CA   _C15    43     1.39612   116.92218  -123.34390
   61    55 S   CM   _C21    52     1.33502   122.21791    -0.02798
   62    57 S   CA   _C5_    64     1.39275   120.04943    -0.01978
   63    62 S   HA   _H33    65     1.08757   119.86506  -179.97202
   64    57 S   OH   _O25    69     1.36132   119.95518  -179.77971
   65    64 S   HO   _H37    70     0.97049   110.28248    -0.02798
   66    58 S   OH   _O30    75     1.42227   111.18889    60.15489
   67    66 S   HO   _H42    76     0.97074   106.79472   175.07721
   68    60 S   OH   _O28    44     1.36285   121.03226    -0.02798
   69    68 S   HO   _H40    45     0.96917   110.17281  -179.90721
   70    40 S   CO4  _C17    53     1.47630   119.58473    -0.00000
   71    70 S   O    _O21    54     1.22531   123.01107    -0.01978
   72    61 S   OH   _O29    55     1.38002   120.37245  -179.91153
   73    72 S   HO   _H41    56     0.96177   109.82308  -179.97202
   74    41 S   CA   _C14    66     1.40074   119.11972  -167.28718
   75    74 S   OH   _O27    67     1.36458   123.00516    -1.49305
   76    75 S   HO   _H39    68     0.96971   110.09541    -0.14804
  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  11   5   4   3
  18   2   1   1  19  13   4  14  12  13  12  10   8   3  10   4
   7   3   6   3   2   1   6   3   6   4   2   3   4   6   3   2
   1   1   1   1   1   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    60    38    39    41    49    58    59    66  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    51    60    68    70    38    39    41    43    74    49    50    58    59    66    67  
   35    36  
   36  
    0  
   40    42    44    51    52    60    68    69    45    61    70    71    38    39    41    49    58    59    66  
   39    41    43    47    62    74    75    49    58    59    66    40    60  
   41    43    74    58  
   42    44    51    60    68    53    45    46    55    61    70    71    72    58  
   43    47    48    57    62    63    74    75    76    49    50    58  
   44    51    52    60    53    54    45    46    55    56    61    70    71  
   47    48    57    62    74    75    64    49    50    58    59    66  
   51    52    60    68    53    54    45    46    55    70  
   46    55    56    61    70    72    51    53  
   55    56    61  
   48    57    62    63    74    64    65    49    50    58  
   57    62    64    49  
   50    58    59    66    67    57    74  
   58    59    66  
   52    60    68    69    53    54  
   60    68    53  
   54    60  
    0  
   56    61    70    71    72    73  
   61    70    72  
   62    63    74    75    64    65  
   59    66    67    60  
   66    67  
   68    69    70  
   70    71    72    73  
   63    74    75    76    64    65  
   74    75    64  
   65    74  
    0  
   67  
    0  
   69  
    0  
   71    72    73  
   72  
   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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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    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  1.510
   33    38   317.000  1.522
   33    58   268.000  1.529
   37    40   469.000  1.400
   37    60   469.000  1.400
   40    42   469.000  1.400
   40    70   310.000  1.470
   42    44   469.000  1.400
   42    45   310.000  1.470
   44    51   469.000  1.400
   44    53   450.000  1.364
   51    52   367.000  1.080
   51    60   469.000  1.400
   60    68   450.000  1.364
   68    69   553.000  0.945
   53    54   553.000  0.945
   45    46   570.000  1.229
   45    55   320.000  1.462
   55    56   340.000  1.080
   55    61   549.000  1.340
   61    70   320.000  1.462
   61    72   510.000  1.338
   70    71   570.000  1.229
   72    73   553.000  0.945
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    43   469.000  1.400
   41    74   469.000  1.400
   43    47   469.000  1.400
   43    49   310.000  1.470
   47    48   367.000  1.080
   47    57   469.000  1.400
   57    62   469.000  1.400
   57    64   450.000  1.364
   62    63   367.000  1.080
   62    74   469.000  1.400
   74    75   450.000  1.364
   75    76   553.000  0.945
   64    65   553.000  0.945
   49    50   570.000  1.229
   49    58   317.000  1.522
   58    59   340.000  1.090
   58    66   320.000  1.410
   66    67   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    80.00000  109.48900
   29    33    38    75.00000  110.18000
   29    33    58    75.00000  111.63000
   33    37    40    70.00000  120.00000
   33    37    60    70.00000  120.00000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    58    49    63.00000  111.10000
   33    58    59    37.50000  110.70000
   33    58    66    50.00000  109.50000
   37    40    42    63.00000  120.00000
   37    40    70    60.00000  119.52600
   37    60    51    63.00000  120.00000
   37    60    68    70.00000  120.00000
   40    42    44    63.00000  120.00000
   40    42    45    60.00000  119.52600
   40    70    61    65.00000  117.02400
   40    70    71    75.00000  123.78400
   42    44    51    63.00000  120.00000
   42    44    53    70.00000  120.00000
   42    45    46    75.00000  123.78400
   42    45    55    65.00000  117.02400
   44    51    52    35.00000  120.00000
   44    51    60    63.00000  120.00000
   44    53    54    35.00000  113.00000
   51    60    68    70.00000  120.00000
   60    37    40    63.00000  120.00000
   60    51    52    35.00000  120.00000
   60    68    69    35.00000  113.00000
   53    44    51    70.00000  120.00000
   45    42    44    60.00000  119.52600
   45    55    56    40.00000  117.72500
   45    55    61    65.00000  118.96000
   55    45    46    80.00000  123.72100
   55    61    70    65.00000  118.96000
   55    61    72    80.00000  121.38400
   61    55    56    35.00000  120.00000
   61    70    71    80.00000  123.72100
   61    72    73    70.00000  107.45700
   70    40    42    60.00000  119.52600
   72    61    70    85.00000  116.28000
   38    33    37    70.00000  110.93000
   38    41    43    60.00000  119.52600
   38    41    74    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    43    47    63.00000  120.00000
   41    43    49    60.00000  119.52600
   41    74    62    63.00000  120.00000
   41    74    75    70.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    57    63.00000  120.00000
   43    49    50    75.00000  123.78400
   43    49    58    65.00000  115.47100
   47    57    62    63.00000  120.00000
   47    57    64    70.00000  120.00000
   57    47    48    35.00000  120.00000
   57    62    63    35.00000  120.00000
   57    62    74    63.00000  120.00000
   57    64    65    35.00000  113.00000
   62    74    75    70.00000  120.00000
   74    41    43    63.00000  120.00000
   74    62    63    35.00000  120.00000
   74    75    76    35.00000  113.00000
   64    57    62    70.00000  120.00000
   49    43    47    60.00000  119.52600
   49    58    59    35.00000  109.50000
   49    58    66    90.00000  109.61100
   58    33    37    70.00000  112.17500
   58    33    38    63.00000  111.10000
   58    49    50    80.00000  120.40000
   58    66    67    55.00000  108.50000
   66    58    59    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    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    60  -0.16000  1.0 1.0
   29    33    37    60  -0.03200 -1.0 2.0
   29    33    37    60   0.04500  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    58    49   0.56750  1.0 1.0
   29    33    58    49  -0.07550 -1.0 2.0
   29    33    58    49   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    66   0.56750  1.0 1.0
   29    33    58    66  -0.07550 -1.0 2.0
   29    33    58    66   0.20000  1.0 3.0
   33    37    40    42   3.62500 -1.0 2.0
   33    37    40    70   3.62500 -1.0 2.0
   33    37    60    51   3.62500 -1.0 2.0
   33    37    60    68   3.62500 -1.0 2.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    74   2.26350  1.0 1.0
   33    38    41    74   0.76750 -1.0 2.0
   33    38    41    74   0.22500  1.0 3.0
   33    58    66    67  -0.11600  1.0 1.0
   33    58    66    67  -0.09450 -1.0 2.0
   33    58    66    67   0.21250  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    41   0.65300  1.0 1.0
   37    33    38    41  -0.03850 -1.0 2.0
   37    33    38    41   0.33900  1.0 3.0
   37    33    58    49   0.56750  1.0 1.0
   37    33    58    49  -0.07550 -1.0 2.0
   37    33    58    49   0.20000  1.0 3.0
   37    33    58    59   0.43200  1.0 3.0
   37    33    58    66   1.13150  1.0 1.0
   37    33    58    66  -1.01400 -1.0 2.0
   37    40    42    44   3.62500 -1.0 2.0
   37    40    42    45   3.62500 -1.0 2.0
   37    40    70    61  -0.11500  1.0 1.0
   37    40    70    61   1.10450 -1.0 2.0
   37    40    70    61  -0.48050  1.0 3.0
   37    40    70    71   1.05000 -1.0 2.0
   37    60    68    69   0.84100 -1.0 2.0
   40    37    60    51   3.62500 -1.0 2.0
   40    37    60    68   3.62500 -1.0 2.0
   40    42   -44    51   3.62500 -1.0 2.0
   40    42    44    53   3.62500 -1.0 2.0
   40    42    45    46   1.05000 -1.0 2.0
   40    42    45    55  -0.11500  1.0 1.0
   40    42    45    55   1.10450 -1.0 2.0
   40    42    45    55  -0.48050  1.0 3.0
   42    40    70    61  -0.11500  1.0 1.0
   42    40    70    61   1.10450 -1.0 2.0
   42    40    70    61  -0.48050  1.0 3.0
   42    40    70    71   1.05000 -1.0 2.0
   42    44    51    52   3.62500 -1.0 2.0
   42    44    51    60   3.62500 -1.0 2.0
   42    44    53    54   0.84100 -1.0 2.0
   42    45    55    56   1.64500 -1.0 2.0
   42    45   -55    61  -1.65800  1.0 1.0
   42    45   -55    61   0.77650 -1.0 2.0
   44    42    45    46   1.05000 -1.0 2.0
   44    42    45    55  -0.11500  1.0 1.0
   44    42    45    55   1.10450 -1.0 2.0
   44    42    45    55  -0.48050  1.0 3.0
   44    51   -60    37   3.62500 -1.0 2.0
   44    51    60    68   3.62500 -1.0 2.0
   51    44    53    54   0.84100 -1.0 2.0
   51    60    68    69   0.84100 -1.0 2.0
   52    51    60    37   3.62500 -1.0 2.0
   52    51    60    68   3.62500 -1.0 2.0
   60    37   -40    42   3.62500 -1.0 2.0
   60    37    40    70   3.62500 -1.0 2.0
   53    44    51    52   3.62500 -1.0 2.0
   53    44    51    60   3.62500 -1.0 2.0
   45    42    44    51   3.62500 -1.0 2.0
   45    42    44    53   3.62500 -1.0 2.0
   45    55    61    70   7.00000 -1.0 2.0
   45    55    61    72   7.00000 -1.0 2.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    61   1.00000 -1.0 2.0
   55    61   -70    40  -1.65800  1.0 1.0
   55    61   -70    40   0.77650 -1.0 2.0
   55    61    70    71   1.00000 -1.0 2.0
   55    61    72    73  -0.66100  1.0 1.0
   55    61    72    73   1.20850 -1.0 2.0
   55    61    72    73  -0.36000  1.0 3.0
   56    55    61    70   7.00000 -1.0 2.0
   56    55    61    72   7.00000 -1.0 2.0
   70    40    42    44   3.62500 -1.0 2.0
   70    40   -42    45   3.62500 -1.0 2.0
   70    61    72    73   2.00000 -1.0 2.0
   72    61    70    40   1.50000 -1.0 2.0
   72    61    70    71  -0.11900  1.0 1.0
   72    61    70    71   0.76850 -1.0 2.0
   72    61    70    71   0.14100  1.0 3.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    60   0.04300 -1.0 2.0
   38    33    58    49   0.11950  1.0 1.0
   38    33    58    49   0.20300 -1.0 2.0
   38    33    58    49  -0.70800  1.0 3.0
   38    33    58    59  -0.11250  1.0 3.0
   38    33    58    66  -0.09450  1.0 1.0
   38    33    58    66  -1.12950 -1.0 2.0
   38    33    58    66   0.54000  1.0 3.0
   38    41    43    47   3.62500 -1.0 2.0
   38    41   -43    49   3.62500 -1.0 2.0
   38    41    74    62   3.62500 -1.0 2.0
   38    41    74    75   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    74   1.05000 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    57   3.62500 -1.0 2.0
   41    43    49    50   1.05000 -1.0 2.0
   41    43    49    58   2.26350  1.0 1.0
   41    43    49    58   0.76750 -1.0 2.0
   41    43    49    58   0.22500  1.0 3.0
   41    74    75    76   0.84100 -1.0 2.0
   43    41    74    62   3.62500 -1.0 2.0
   43    41    74    75   3.62500 -1.0 2.0
   43    47   -57    62   3.62500 -1.0 2.0
   43    47    57    64   3.62500 -1.0 2.0
   43    49   -58    33   0.05850 -1.0 2.0
   43    49   -58    33   0.17250  1.0 3.0
   43    49    58    59   0.00000  1.0 1.0
   43    49    58    66   0.65300  1.0 1.0
   43    49    58    66  -0.03850 -1.0 2.0
   43    49    58    66   0.33900  1.0 3.0
   47    43    49    50   1.05000 -1.0 2.0
   47    43    49    58   2.26350  1.0 1.0
   47    43    49    58   0.76750 -1.0 2.0
   47    43    49    58   0.22500  1.0 3.0
   47    57    62    63   3.62500 -1.0 2.0
   47    57    62    74   3.62500 -1.0 2.0
   47    57    64    65   0.84100 -1.0 2.0
   48    47    57    62   3.62500 -1.0 2.0
   48    47    57    64   3.62500 -1.0 2.0
   57    62   -74    41   3.62500 -1.0 2.0
   57    62    74    75   3.62500 -1.0 2.0
   62    57    64    65   0.84100 -1.0 2.0
   62    74    75    76   0.84100 -1.0 2.0
   63    62    74    41   3.62500 -1.0 2.0
   63    62    74    75   3.62500 -1.0 2.0
   74    41   -43    47   3.62500 -1.0 2.0
   74    41    43    49   3.62500 -1.0 2.0
   64    57    62    63   3.62500 -1.0 2.0
   64    57    62    74   3.62500 -1.0 2.0
   49    43    47    48   3.62500 -1.0 2.0
   49    43    47    57   3.62500 -1.0 2.0
   49    58    66    67   0.91850  1.0 1.0
   49    58    66    67   0.57950  1.0 3.0
   50    49    58    33   0.30150 -1.0 2.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    66   0.30150 -1.0 2.0
   58    33    37    40   0.04150 -1.0 2.0
   58    33    37    60   0.04150 -1.0 2.0
   58    33    38    39   0.30150 -1.0 2.0
   58    33   -38    41   0.05850 -1.0 2.0
   58    33   -38    41   0.17250  1.0 3.0
   59    58    66    67   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
   36    30    34    35  10.50000 -1.0 2.0
   40    60    37    33   4.00000 -1.0 2.0
   42    70    40    37   4.00000 -1.0 2.0
   44    45    42    40   4.00000 -1.0 2.0
   51    53    44    42   4.00000 -1.0 2.0
   60    52    51    44   1.10000 -1.0 2.0
   51    68    60    37   4.00000 -1.0 2.0
   42    55    45    46  10.50000 -1.0 2.0
   45    56    55    61   1.10000 -1.0 2.0
   70    72    61    55   1.10000 -1.0 2.0
   40    61    70    71  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    74    41    38   4.00000 -1.0 2.0
   47    49    43    41   4.00000 -1.0 2.0
   57    48    47    43   1.10000 -1.0 2.0
   62    64    57    47   4.00000 -1.0 2.0
   74    63    62    57   1.10000 -1.0 2.0
   62    75    74    41   4.00000 -1.0 2.0
   43    58    49    50  10.50000 -1.0 2.0
END
