* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    138    225     410
    1     0 S   NP   _N1_     1    30.99664    94.71361   -16.00382
    2     1 S   H    _HN1     2     1.03114   126.75016   144.35497
    3     1 S   H    _H1_     3     1.02632    29.59569    87.43485
    4     1 S   H    _H2_     4     1.03490   116.23421     7.32070
    5     1 S   CT   _CA1     5     1.49922    83.30174  -104.50478
    6     5 S   HC   _HA1     6     1.09576   105.33435    51.83499
    7     5 S   CO3  _C1_     7     1.53688   112.79358   -68.55371
    8     7 S   O2Z  _O11     8     1.26342   115.35675   -48.68053
    9     7 S   O2Z  _O12     9     1.26327   114.86411   130.76656
   10     5 S   CT   _CB1    10     1.52839   107.00369   169.27455
   11    10 S   HC   HB11    11     1.09790   108.83538   -55.90351
   12    10 S   HC   HB12    12     1.09788   109.92953    59.94103
   13    10 S   CT   _CG1    13     1.53131   113.85913  -177.17298
   14    13 S   HC   HG11    14     1.09551   111.22413   -73.06077
   15    13 S   HC   HG12    15     1.09590   110.58370    46.74148
   16    13 S   C    _CD1    16     1.51585   110.06180   166.08971
   17    16 S   O    _OE1    17     1.22824   121.78856  -112.97186
   18    16 S   N    _N2_    18     1.38425   112.82178    65.75127
   19    18 S   H    _HN2    19     1.01566   119.05929     6.51647
   20    18 S   CT1  _CA2    20     1.46173   123.39795  -169.33663
   21    20 S   HC   _HA2    21     1.09715   109.46036   -11.34505
   22    20 S   C    _C2_    22     1.53256   108.61675  -127.58954
   23    22 S   O    _O2_    23     1.23017   122.26337  -145.49411
   24    20 S   CT   _CB2    32     1.53674   110.75902   110.26889
   25    24 S   HC   HB21    33     1.09584   109.37936    58.08220
   26    24 S   HC   HB22    34     1.09494   110.62676   176.84471
   27    22 S   N    _N3_    24     1.38516   113.35807    41.91257
   28    27 S   H    _HN3    25     1.01538   118.86126    -0.66647
   29    24 S   S    _SG2    35     1.82910   111.52944   -62.98950
   30    27 S   CT   _CA3    26     1.45425   123.30531   175.24021
   31    30 S   HC   HA31    27     1.09538   108.97201    28.58402
   32    30 S   HC   HA32    28     1.09488   107.15871   145.54028
   33    29 S   CT   _C17    36     1.84067    99.93617   156.87648
   34    33 S   HC   _H4_    37     1.09548   107.99014   -38.72900
   35    30 S   CO3  _C3_    29     1.52950   113.43696   -94.71248
   36    35 S   O2Z  _O31    30     1.26379   115.57385   -40.58114
   37    35 S   O2Z  _O32    31     1.26386   114.87101   140.42111
   38    33 S   CM   _C12    38     1.52039   109.53655    81.08643
   39    38 S   CT   _C13    39     1.51700   114.42527    78.05423
   40    39 S   HC   _H12    40     1.09423   112.69229   179.64557
   41    39 S   HC   _H13    41     1.09759   108.40720   -64.06554
   42    38 S   CM   _C11    53     1.34510   119.95770  -107.38991
   43    42 S   HC   _H11    54     1.08582   120.57245     2.21505
   44    39 S   CT1  _C14    42     1.53170   111.41583    56.16389
   45    44 S   HC   _H3_    43     1.09790   107.57483  -162.04784
   46    42 S   CG   _C10    55     1.47365   122.46049  -178.08184
   47    46 S   HC   _H10    56     1.10316   115.51616   -41.96489
   48    44 S   NE   _N5_    44     1.45348   111.48107   -43.60125
   49    48 S   H    _H14    45     1.01710   117.60239  -169.12956
   50    44 S   CO3  _C18    50     1.54415   116.13213    79.58857
   51    50 S   O2Z  _O38    51     1.26398   116.60926    -7.20410
   52    50 S   O2Z  _O37    52     1.26706   114.74578   171.12655
   53    46 S   NIP  _N4_    57     1.28926   128.23226   142.52697
   54    33 S   CM   _C15    46     1.51327   108.65102  -156.21180
   55    53 S   CA   _C6_    58     1.40312   126.60106   -14.24354
   56    53 S   CT1  _C19    69     1.51328   124.71795   166.95838
   57    56 S   HC   _H5_    70     1.09710   106.67557    74.43326
   58    54 S   CMA  _C16    47     1.53294   120.55281    79.06416
   59    58 S   OM   _O35    48     1.26451   120.78103  -139.81619
   60    58 S   OM   _O36    49     1.26372   121.17222    40.61347
   61    55 S   CA   _C7_    59     1.38899   129.81168   -13.45127
   62    61 S   HA   _H7_    60     1.08291   122.80094    -0.00000
   63    56 S   CO3  _C21    71     1.53464   109.37159   -46.90951
   64    63 S   O2Z  _O40    72     1.26301   116.24057   -63.88838
   65    63 S   O2Z  _O39    73     1.26416   114.35139   115.52450
   66    61 S   CA   _C8_    61     1.39907   118.18760  -178.14987
   67    66 S   CA   _C9_    62     1.40003   120.98324     1.24270
   68    66 S   OH   _O34    76     1.36938   120.11280  -179.38515
   69    68 S   HO   _H9_    77     0.97285   108.90354    -1.19796
   70    67 S   CA   _C4_    63     1.39377   120.52673     1.15521
   71    70 S   HA   _H6_    64     1.08513   121.38991   178.16688
   72    67 S   OH   _O33    74     1.36781   119.14506  -179.84677
   73    72 S   HO   _H8_    75     0.97210   108.78741  -179.68847
   74    55 S   CA   _C5_    65     1.39547   109.47185   171.80370
   75    74 S   CT   _C20    66     1.49233   111.98976     0.79525
   76    75 S   HC   _H15    67     1.09556   110.88247   125.38285
   77    75 S   HC   _H16    68     1.09482   110.57689  -114.20421
  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   8   5   4   3
  15   6   2   1   1  14  13   6   5   8   3   8   6   9   3   8
   3   3   1   1  14   3  14  10   7   2   1   1   9   4   6   2
   1   8   8   3   1   7   3   2   1   3   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    58    59    60    42    43    46  
   38    39    48    54    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    58    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    55    56    44    54  
   46    47    53  
   45    48    49    54    58    50    51    52  
   48    49    54    50    51    52  
   47    53    55    61    74    75    56    57    63  
   53    55    56  
   49    54    58    59    60    50    51    52  
   54    58    50  
   51    52    54  
   52  
    0  
   55    61    62    66    70    74    75    76    77    56    57    63    64    65  
   58    59    60  
   61    62    66    67    70    71    74    75    76    77    56    57    63    68  
   57    63    64    65    61    70    74    75    76    77  
   63    64    65    74    75    76    77  
   59    60  
   60  
    0  
   62    66    67    70    74    75    72    68    69  
   66    67    74    68  
   64    65    74    75    76    77  
   65    75  
   75  
   67    70    71    74    72    73    68    69  
   70    71    74    75    72    73    68    69  
   69    70    72  
    0  
   71    74    75    76    77    72    73  
   74    75    72  
   73    74  
    0  
   75    76    77  
   76    77  
   77  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700   0.218500   2.2900   2.0360   0.003973653   1.685851020
   54   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   382.000  1.448
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   425.000  1.378
   54    58   465.000  1.376
   58    59   745.000  1.250
   58    60   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    55   340.000  1.432
   53    56   280.000  1.462
   55    61   469.000  1.400
   55    74   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    67   469.000  1.400
   66    68   450.000  1.364
   67    70   469.000  1.400
   67    72   450.000  1.364
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    56   268.000  1.529
   56    57   340.000  1.090
   56    63   317.000  1.522
   63    64   656.000  1.250
   63    65   656.000  1.250
   72    73   553.000  0.945
   68    69   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  112.20000
   29    33    54    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    75.00000  116.24600
   33    54    58    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.61500
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  112.50000
   44    48    54    50.00000  121.00000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    54    58    70.00000  124.03900
   54    33    34    35.00000  109.50000
   54    33    38    70.00000  110.12100
   54    48    49    35.00000  114.50000
   54    58    59    65.00000  137.10300
   54    58    60    65.00000  137.10300
   60    58    59    65.00000  121.00000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  110.10000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    55    65.00000  127.86000
   46    53    56    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    55    61    70.00000  116.83300
   53    55    74    70.00000  116.83300
   53    56    75    75.00000  111.57000
   53    56    57    50.00000  106.46400
   53    56    63    75.00000  110.00000
   55    61    62    35.00000  120.00000
   55    61    66    63.00000  120.00000
   55    74    70    63.00000  120.00000
   55    74    75    70.00000  120.00000
   61    66    67    63.00000  120.00000
   61    66    68    70.00000  120.00000
   66    61    62    35.00000  120.00000
   66    67    70    63.00000  120.00000
   66    67    72    70.00000  120.00000
   66    68    69    35.00000  113.00000
   67    70    71    35.00000  120.00000
   67    70    74    63.00000  120.00000
   67    72    73    35.00000  113.00000
   70    74    75    70.00000  120.00000
   74    55    61    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    56    63.00000  114.00000
   75    56    57    37.50000  110.70000
   75    56    63    63.00000  111.10000
   77    75    76    33.00000  107.80000
   56    53    55    70.00000  121.00000
   56    75    76    37.50000  110.70000
   56    75    77    37.50000  110.70000
   56    63    64    70.00000  117.00000
   56    63    65    70.00000  117.00000
   63    56    57    35.00000  109.50000
   65    63    64    80.00000  126.00000
   72    67    70    70.00000  120.00000
   68    66    67    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   0.81900  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.09700  1.0 1.0
   29    33    54    48   0.15600 -1.0 2.0
   29    33    54    48  -0.50800  1.0 3.0
   29    33    54    58   0.42700  1.0 1.0
   29    33    54    58  -0.70350 -1.0 2.0
   29    33    54    58  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    58    59   7.00000 -1.0 2.0
   33    54    58    60   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48  -0.18050  1.0 3.0
   34    33    54    58   0.00000  1.0 1.0
   38    33    54    48  -1.35150  1.0 1.0
   38    33    54    48   0.13900 -1.0 2.0
   38    33    54    48   0.25250  1.0 3.0
   38    33    54    58  -0.28300  1.0 1.0
   38    33    54    58   0.26700 -1.0 2.0
   38    33    54    58  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.21700  1.0 1.0
   38    39   -44    48   0.68550 -1.0 2.0
   38    39   -44    48  -0.27950  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    54   0.25450  1.0 1.0
   39    44    48    54  -0.61700 -1.0 2.0
   39    44    48    54  -0.23550  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.22950  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.22950  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   1.00000 -1.0 2.0
   44    48    54    58  -0.54700  1.0 1.0
   44    48    54    58   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    54   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    54    58    59   7.00000 -1.0 2.0
   48    54    58    60   7.00000 -1.0 2.0
   49    48    54    33   2.40850 -1.0 2.0
   49    48    54    58   1.00000 -1.0 2.0
   54    33   -38    39   0.09700  1.0 1.0
   54    33   -38    39   0.15600 -1.0 2.0
   54    33   -38    39  -0.50800  1.0 3.0
   54    33    38    42  -0.28300  1.0 1.0
   54    33    38    42   0.26700 -1.0 2.0
   54    33    38    42  -0.63300  1.0 3.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    54  -0.12500  1.0 1.0
   50    44    48    54  -0.12500 -1.0 2.0
   50    44    48    54   0.25000  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    55   2.00000 -1.0 2.0
   42    46    53    56   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    55    61   1.00000 -1.0 2.0
   46    53    55    74   1.00000 -1.0 2.0
   46    53    56    75   0.00000  1.0 1.0
   46    53    56    57  -0.22200  1.0 3.0
   46    53    56    63   0.00000  1.0 1.0
   47    46    53    55   2.00000 -1.0 2.0
   47    46    53    56   2.00000 -1.0 2.0
   53    55    61    62   3.62500 -1.0 2.0
   53    55    61    66   3.62500 -1.0 2.0
   53    55    74    70   3.62500 -1.0 2.0
   53    55   -74    75   3.62500 -1.0 2.0
   53    56    63    64   0.30150 -1.0 2.0
   53    56    63    65   0.30150 -1.0 2.0
   55    53   -56    75   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    63   0.00000  1.0 1.0
   55    61    66    67   3.62500 -1.0 2.0
   55    61    66    68   3.62500 -1.0 2.0
   55    74    75    76   0.00000  1.0 1.0
   55    74    75    77   0.00000  1.0 1.0
   55    74   -75    56   0.00000  1.0 1.0
   61    55    74    70   3.62500 -1.0 2.0
   61    55    74    75   3.62500 -1.0 2.0
   61    66   -67    70   3.62500 -1.0 2.0
   61    66    67    72   3.62500 -1.0 2.0
   61    66    68    69   0.84100 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    68   3.62500 -1.0 2.0
   66    67    70    71   3.62500 -1.0 2.0
   66    67    70    74   3.62500 -1.0 2.0
   66    67    72    73   0.84100 -1.0 2.0
   67    66    68    69   0.84100 -1.0 2.0
   67    70   -74    55   3.62500 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   70    67    72    73   0.84100 -1.0 2.0
   70    74    75    76   0.00000  1.0 1.0
   70    74    75    77   0.00000  1.0 1.0
   70    74    75    56   0.00000  1.0 1.0
   71    70    74    55   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   74    55    61    62   3.62500 -1.0 2.0
   74    55   -61    66   3.62500 -1.0 2.0
   74    75   -56    53   0.56750  1.0 1.0
   74    75   -56    53  -0.07550 -1.0 2.0
   74    75   -56    53   0.20000  1.0 3.0
   74    75    56    57   0.23100  1.0 3.0
   74    75    56    63  -0.84850  1.0 1.0
   74    75    56    63  -0.22800 -1.0 2.0
   74    75    56    63   0.29250  1.0 3.0
   75    56    63    64   0.00000  1.0 1.0
   75    56    63    65   0.00000  1.0 1.0
   76    75    56    53   0.15000  1.0 3.0
   76    75    56    57   0.15000  1.0 3.0
   76    75    56    63  -0.03800  1.0 3.0
   77    75    56    53   0.15000  1.0 3.0
   77    75    56    57   0.15000  1.0 3.0
   77    75    56    63  -0.03800  1.0 3.0
   56    53    55    61   1.00000 -1.0 2.0
   56    53   -55    74   1.00000 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    65   0.00000  1.0 1.0
   72    67    70    71   3.62500 -1.0 2.0
   72    67    70    74   3.62500 -1.0 2.0
   68    66    67    70   3.62500 -1.0 2.0
   68    66    67    72   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   49    54    48    44   1.00000 -1.0 2.0
   33    48    54    58   1.10000 -1.0 2.0
   59    60    58    54   1.10000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   55    56    53    46   1.00000 -1.0 2.0
   61    74    55    53   4.00000 -1.0 2.0
   66    62    61    55   1.10000 -1.0 2.0
   67    68    66    61   4.00000 -1.0 2.0
   70    72    67    66   4.00000 -1.0 2.0
   74    71    70    67   1.10000 -1.0 2.0
   70    75    74    55   4.00000 -1.0 2.0
   64    56    63    65  10.50000 -1.0 2.0
END
