* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    223     404
    1     0 S   NP   _N1_     1    29.23614    96.45353   -25.63172
    2     1 S   H    _HN1     2     1.02951    77.10660    -6.51822
    3     1 S   H    _H1_     3     1.02827    29.96044   174.95162
    4     1 S   H    _H2_     4     1.02784   119.27225  -110.54402
    5     1 S   CT   _CA1     5     1.50113   122.16077    99.65297
    6     5 S   HC   _HA1     6     1.09572   105.19537    90.31863
    7     5 S   CO3  _C1_     7     1.53790   112.47698   -29.91043
    8     7 S   O2Z  _O11     8     1.26371   115.00374   -41.82441
    9     7 S   O2Z  _O12     9     1.26240   114.94901   137.31226
   10     5 S   CT   _CB1    10     1.53078   107.41923  -151.68637
   11    10 S   HC   HB11    11     1.09832   109.37353   -49.60296
   12    10 S   HC   HB12    12     1.09815   110.43800    67.00489
   13    10 S   CT   _CG1    13     1.52988   112.61979  -170.59143
   14    13 S   HC   HG11    14     1.09582   110.60533   -65.46561
   15    13 S   HC   HG12    15     1.09667   109.82328    53.78582
   16    13 S   C    _CD1    16     1.51778   112.23735   174.22701
   17    16 S   O    _OE1    17     1.22729   123.29800     5.71351
   18    16 S   N    _N2_    18     1.38654   111.67519  -174.34823
   19    18 S   H    _HN2    19     1.01579   118.99973     1.73257
   20    18 S   CT1  _CA2    20     1.46083   123.35226   178.25976
   21    20 S   HC   _HA2    21     1.09553   109.32475     2.31308
   22    20 S   C    _C2_    22     1.53563   108.89481  -112.74125
   23    22 S   O    _O2_    23     1.23062   122.21339  -149.24293
   24    20 S   CT   _CB2    32     1.53297   111.69163   124.75148
   25    24 S   HC   HB21    33     1.09684   109.38111    63.33570
   26    24 S   HC   HB22    34     1.09508   111.04074  -179.95154
   27    22 S   N    _N3_    24     1.38314   113.75690    38.27123
   28    27 S   H    _HN3    25     1.01582   119.57565    -3.43291
   29    24 S   S    _SG2    35     1.83092   114.93783   -55.90021
   30    27 S   CT   _CA3    26     1.45281   123.21429   177.03806
   31    30 S   HC   HA31    27     1.09549   107.53523   -64.00043
   32    30 S   HC   HA32    28     1.09556   107.96044    52.43752
   33    29 S   CT   _C23    36     1.82541   101.45497   -62.89740
   34    33 S   HC   _H3_    37     1.09460   110.76133    54.35890
   35    30 S   CO3  _C3_    29     1.52957   114.06913   174.42188
   36    35 S   O2Z  _O31    30     1.26376   116.05631    -0.42613
   37    35 S   O2Z  _O32    31     1.26423   114.41463   179.62361
   38    33 S   CM   _C24    38     1.48928   111.53827   -67.06426
   39    38 S   HC   _H16    39     1.09181   114.20050    79.22823
   40    33 S   CO4  _C22    70     1.51047   107.43985   169.79633
   41    40 S   O    _O37    71     1.22967   121.36292   -81.01196
   42    38 S   CMA  _C25    40     1.35182   128.47042  -103.34607
   43    42 S   OM   _O38    41     1.26675   124.92051  -177.89253
   44    42 S   CA   _C7_    42     1.51341   113.89455     2.41508
   45    44 S   CA   _C6_    43     1.41280   119.87343   167.83767
   46    45 S   HA   _H7_    44     1.08977   119.53970    -1.97833
   47    45 S   CA   _C5_    45     1.40699   122.81462   178.17920
   48    47 S   CA   _C10    46     1.40926   119.46419    -0.13122
   49    47 S   CT   _C4_    74     1.50647   118.75733   179.46771
   50    49 S   HC   _H4_    75     1.09425   110.62858   120.26372
   51    49 S   HC   _H5_    76     1.09451   110.41349  -118.26109
   52    49 S   HC   _H6_    77     1.09529   111.60101     0.98357
   53    48 S   CA   _C11    47     1.48392   121.34592  -179.18699
   54    48 S   CA   _C9_    68     1.41056   118.28906     0.34830
   55    53 S   CA   _C16    48     1.42708   122.52393   -89.86257
   56    44 S   CA   _C8_    69     1.40436   122.96425   -13.58504
   57    54 S   OH   _O36    72     1.37619   116.50210   179.29919
   58    57 S   HO   _H15    73     0.97325   109.19418   177.66997
   59    55 S   CA   _C15    49     1.40984   120.08780  -179.85463
   60    59 S   CA   _C14    50     1.40191   119.59964     0.15451
   61    59 S   CO4  _C20    60     1.48340   120.68722  -179.93147
   62    61 S   O    _O34    61     1.22586   121.98579   179.64502
   63    60 S   CA   _C13    51     1.39047   120.77723     0.16669
   64    63 S   HA   _H8_    52     1.08825   119.18832   179.66604
   65    60 S   OH   _O35    58     1.36995   123.87120  -180.00000
   66    65 S   HO   _H11    59     0.97355   109.18492     0.01978
   67    61 S   CM   _C19    62     1.46907   118.51847    -0.37430
   68    67 S   HC   _H10    63     1.08433   117.57834  -179.74899
   69    53 S   CA   _C12    53     1.42163   118.54642    90.73203
   70    67 S   CM   _C18    64     1.32946   121.39570     0.27052
   71    70 S   HC   _H9_    65     1.08494   120.60867   179.97202
   72    69 S   CT   _C21    54     1.50903   121.99239     0.45024
   73    72 S   HC   _H12    55     1.09415   110.74488   -59.12654
   74    72 S   HC   _H13    56     1.09445   110.45189    62.65448
   75    72 S   HC   _H14    57     1.09553   111.51513  -178.19875
   76    55 S   CO4  _C17    66     1.49659   121.30920     0.05595
   77    76 S   O    _O33    67     1.22464   123.69119     0.34207
  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
  10   6   2   1   1   8   4   8   3   7   3   8  10   4  11  15
   5   2   1   1  17   5  13   2   1   1  13  10   8   3   8   3
   2   1   5   3   5   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    56    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    54    56    40    41  
   38    39    42    56    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    56    40    41  
   42    43    44    40  
   41    57    42    44    45    48    54    56  
   44    54    56  
   43    44    45    46    47    54    56  
   44    45    56  
   45    46    47    48    54    56    57    49  
   46    47    48    53    54    56    49    50    51    52  
   47    48    56    49  
   48    53    55    69    54    56    57    49    50    51    52  
   53    55    59    63    69    72    76    54    56    57    58    49    50    51    52  
   50    51    52    53    54  
   51    52  
   52  
    0  
   55    59    60    63    64    69    72    73    74    75    61    70    76    77    54    56    57  
   56    57    58    55    69  
   59    60    63    69    72    65    61    62    67    70    71    76    77  
   57    58  
   58  
    0  
   60    63    64    69    65    66    61    62    67    68    70    76    77  
   63    64    69    72    65    66    61    62    67    76  
   62    67    68    70    71    76    63    65  
   67    68    70  
   64    69    72    73    74    75    65    66  
   69    72    65  
   66    69  
    0  
   68    70    71    76    77  
   70    71    76  
   72    73    74    75    76  
   71    76    77  
   76    77  
   73    74    75  
   74    75  
   75  
    0  
   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   2.4200   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    44   320.000  1.460
   44    45   469.000  1.400
   44    56   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    53   375.000  1.464
   48    54   469.000  1.400
   53    55   469.000  1.400
   53    69   469.000  1.400
   55    59   469.000  1.400
   55    76   310.000  1.470
   59    60   469.000  1.400
   59    61   310.000  1.470
   60    63   469.000  1.400
   60    65   450.000  1.364
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    66   553.000  0.945
   61    62   570.000  1.229
   61    67   320.000  1.462
   67    68   340.000  1.080
   67    70   549.000  1.340
   70    71   340.000  1.080
   70    76   320.000  1.462
   76    77   570.000  1.229
   54    56   469.000  1.400
   54    57   450.000  1.364
   56    40   310.000  1.470
   40    41   570.000  1.229
   57    58   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
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    40    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    56    65.00000  115.47100
   33    40    41    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    44    60.00000  123.20500
   42    38    39    40.00000  120.50800
   42    44    45    60.00000  120.93500
   42    44    56    60.00000  120.93500
   44    42    43    85.00000  114.86500
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    56    54    63.00000  120.00000
   44    56    40    60.00000  119.52600
   45    47    48    63.00000  120.00000
   45    47    49    70.00000  120.00000
   47    45    46    35.00000  120.00000
   47    48    53    60.00000  122.76000
   47    48    54    63.00000  120.00000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    52    35.00000  109.50000
   48    53    55    60.00000  122.76000
   48    53    69    60.00000  122.76000
   48    54    56    63.00000  120.00000
   48    54    57    70.00000  120.00000
   53    55    59    63.00000  120.00000
   53    55    76    60.00000  119.52600
   53    69    63    63.00000  120.00000
   53    69    72    70.00000  120.00000
   55    59    60    63.00000  120.00000
   55    59    61    60.00000  119.52600
   55    76    70    65.00000  117.02400
   55    76    77    75.00000  123.78400
   59    60    63    63.00000  120.00000
   59    60    65    70.00000  120.00000
   59    61    62    75.00000  123.78400
   59    61    67    65.00000  117.02400
   60    63    64    35.00000  120.00000
   60    63    69    63.00000  120.00000
   60    65    66    35.00000  113.00000
   63    69    72    70.00000  120.00000
   69    53    55    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    60    63    70.00000  120.00000
   61    59    60    60.00000  119.52600
   61    67    68    40.00000  117.72500
   61    67    70    65.00000  118.96000
   67    61    62    80.00000  123.72100
   67    70    71    35.00000  120.00000
   67    70    76    65.00000  118.96000
   70    67    68    35.00000  120.00000
   70    76    77    80.00000  123.72100
   76    55    59    60.00000  119.52600
   76    70    71    40.00000  117.72500
   54    48    53    60.00000  122.76000
   54    56    40    60.00000  119.52600
   54    57    58    35.00000  113.00000
   56    44    45    63.00000  120.00000
   56    40    41    75.00000  123.78400
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   57    54    56    70.00000  120.00000
   49    47    48    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   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    40    56   0.65300  1.0 1.0
   29    33    40    56  -0.03850 -1.0 2.0
   29    33    40    56   0.33900  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    56   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   38    33    40    56   0.65300  1.0 1.0
   38    33    40    56  -0.03850 -1.0 2.0
   38    33    40    56   0.33900  1.0 3.0
   38    33    40    41   0.30150 -1.0 2.0
   38    42    44    45   0.15800  1.0 1.0
   38    42    44    45   1.85350 -1.0 2.0
   38    42    44    45  -0.48700  1.0 3.0
   38    42   -44    56   0.15800  1.0 1.0
   38    42   -44    56   1.85350 -1.0 2.0
   38    42   -44    56  -0.48700  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    56    54   3.62500 -1.0 2.0
   42    44    56    40   3.62500 -1.0 2.0
   43    42    44    45  -0.01750  1.0 1.0
   43    42    44    45  -0.32000 -1.0 2.0
   43    42    44    45   0.00600  1.0 3.0
   43    42    44    56  -0.01750  1.0 1.0
   43    42    44    56  -0.32000 -1.0 2.0
   43    42    44    56   0.00600  1.0 3.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   44    56   -40    33   2.26350  1.0 1.0
   44    56   -40    33   0.76750 -1.0 2.0
   44    56   -40    33   0.22500  1.0 3.0
   44    56    40    41   1.05000 -1.0 2.0
   45    44    56    54   3.62500 -1.0 2.0
   45    44    56    40   3.62500 -1.0 2.0
   45    47    48    53   3.62500 -1.0 2.0
   45    47   -48    54   3.62500 -1.0 2.0
   45    47    49    50   0.00000  1.0 1.0
   45    47    49    51   0.00000  1.0 1.0
   45    47    49    52   0.00000  1.0 1.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    48    53    55  -0.19450  1.0 1.0
   47    48    53    55   0.63300 -1.0 2.0
   47    48    53    55   0.07450  1.0 3.0
   47    48    53    69  -0.19450  1.0 1.0
   47    48    53    69   0.63300 -1.0 2.0
   47    48    53    69   0.07450  1.0 3.0
   47    48    54    56   3.62500 -1.0 2.0
   47    48    54    57   3.62500 -1.0 2.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    52   0.00000  1.0 1.0
   48    53    55    59   3.62500 -1.0 2.0
   48    53    55    76   3.62500 -1.0 2.0
   48    53    69    63   3.62500 -1.0 2.0
   48    53    69    72   3.62500 -1.0 2.0
   48    54   -56    44   3.62500 -1.0 2.0
   48    54    56    40   3.62500 -1.0 2.0
   48    54    57    58   0.84100 -1.0 2.0
   53    48    54    56   3.62500 -1.0 2.0
   53    48    54    57   3.62500 -1.0 2.0
   53    55    59    60   3.62500 -1.0 2.0
   53    55    59    61   3.62500 -1.0 2.0
   53    55    76    70  -0.11500  1.0 1.0
   53    55    76    70   1.10450 -1.0 2.0
   53    55    76    70  -0.48050  1.0 3.0
   53    55    76    77   1.05000 -1.0 2.0
   53    69    72    73   0.00000  1.0 1.0
   53    69    72    74   0.00000  1.0 1.0
   53    69    72    75   0.00000  1.0 1.0
   55    53    69    63   3.62500 -1.0 2.0
   55    53    69    72   3.62500 -1.0 2.0
   55    59   -60    63   3.62500 -1.0 2.0
   55    59    60    65   3.62500 -1.0 2.0
   55    59    61    62   1.05000 -1.0 2.0
   55    59    61    67  -0.11500  1.0 1.0
   55    59    61    67   1.10450 -1.0 2.0
   55    59    61    67  -0.48050  1.0 3.0
   59    55    76    70  -0.11500  1.0 1.0
   59    55    76    70   1.10450 -1.0 2.0
   59    55    76    70  -0.48050  1.0 3.0
   59    55    76    77   1.05000 -1.0 2.0
   59    60    63    64   3.62500 -1.0 2.0
   59    60    63    69   3.62500 -1.0 2.0
   59    60    65    66   0.84100 -1.0 2.0
   59    61    67    68   1.64500 -1.0 2.0
   59    61   -67    70  -1.65800  1.0 1.0
   59    61   -67    70   0.77650 -1.0 2.0
   60    59    61    62   1.05000 -1.0 2.0
   60    59    61    67  -0.11500  1.0 1.0
   60    59    61    67   1.10450 -1.0 2.0
   60    59    61    67  -0.48050  1.0 3.0
   60    63   -69    53   3.62500 -1.0 2.0
   60    63    69    72   3.62500 -1.0 2.0
   63    60    65    66   0.84100 -1.0 2.0
   63    69    72    73   0.00000  1.0 1.0
   63    69    72    74   0.00000  1.0 1.0
   63    69    72    75   0.00000  1.0 1.0
   64    63    69    53   3.62500 -1.0 2.0
   64    63    69    72   3.62500 -1.0 2.0
   69    53   -55    59   3.62500 -1.0 2.0
   69    53    55    76   3.62500 -1.0 2.0
   65    60    63    64   3.62500 -1.0 2.0
   65    60    63    69   3.62500 -1.0 2.0
   61    59    60    63   3.62500 -1.0 2.0
   61    59    60    65   3.62500 -1.0 2.0
   61    67    70    71   7.00000 -1.0 2.0
   61    67    70    76   7.00000 -1.0 2.0
   62    61    67    68   0.00000  1.0 1.0
   62    61    67    70   1.00000 -1.0 2.0
   67    70   -76    55  -1.65800  1.0 1.0
   67    70   -76    55   0.77650 -1.0 2.0
   67    70    76    77   1.00000 -1.0 2.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    76   7.00000 -1.0 2.0
   71    70    76    55   1.64500 -1.0 2.0
   71    70    76    77   0.00000  1.0 1.0
   76    55    59    60   3.62500 -1.0 2.0
   76    55   -59    61   3.62500 -1.0 2.0
   54    48    53    55  -0.19450  1.0 1.0
   54    48    53    55   0.63300 -1.0 2.0
   54    48    53    55   0.07450  1.0 3.0
   54    48    53    69  -0.19450  1.0 1.0
   54    48    53    69   0.63300 -1.0 2.0
   54    48    53    69   0.07450  1.0 3.0
   54    56    40    33   2.26350  1.0 1.0
   54    56    40    33   0.76750 -1.0 2.0
   54    56    40    33   0.22500  1.0 3.0
   54    56    40    41   1.05000 -1.0 2.0
   56    44    45    46   3.62500 -1.0 2.0
   56    44   -45    47   3.62500 -1.0 2.0
   56    54    57    58   0.84100 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33   -38    42  -0.51250  1.0 1.0
   40    33   -38    42  -0.88800 -1.0 2.0
   40    33   -38    42   0.08850  1.0 3.0
   57    54    56    44   3.62500 -1.0 2.0
   57    54    56    40   3.62500 -1.0 2.0
   49    47    48    53   3.62500 -1.0 2.0
   49    47    48    54   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
   44    43    42    38   1.10000 -1.0 2.0
   45    56    44    42   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   48    49    47    45   4.00000 -1.0 2.0
   53    54    48    47   4.00000 -1.0 2.0
   55    69    53    48   4.00000 -1.0 2.0
   59    76    55    53   4.00000 -1.0 2.0
   60    61    59    55   4.00000 -1.0 2.0
   63    65    60    59   4.00000 -1.0 2.0
   69    64    63    60   1.10000 -1.0 2.0
   63    72    69    53   4.00000 -1.0 2.0
   59    67    61    62  10.50000 -1.0 2.0
   61    68    67    70   1.10000 -1.0 2.0
   76    71    70    67   1.10000 -1.0 2.0
   55    70    76    77  10.50000 -1.0 2.0
   56    57    54    48   4.00000 -1.0 2.0
   54    40    56    44   4.00000 -1.0 2.0
   33    56    40    41  10.50000 -1.0 2.0
END
