* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    138    213     400
    1     0 S   NP   _N1_     1    28.72053    94.72786   -25.03915
    2     1 S   H    _HN1     2     1.02948    78.19879    11.96194
    3     1 S   H    _H1_     3     1.02828    29.24103  -177.01082
    4     1 S   H    _H2_     4     1.02793   113.95377   -93.07741
    5     1 S   CT   _CA1     5     1.50124   126.90006   118.75333
    6     5 S   HC   _HA1     6     1.09575   105.16763    87.29390
    7     5 S   CO3  _C1_     7     1.53772   112.45086   -32.89867
    8     7 S   O2Z  _O11     8     1.26373   115.00758   -42.78413
    9     7 S   O2Z  _O12     9     1.26239   114.94124   136.24056
   10     5 S   CT   _CB1    10     1.53065   107.40925  -154.76117
   11    10 S   HC   HB11    11     1.09839   109.31822   -49.64040
   12    10 S   HC   HB12    12     1.09811   110.47772    66.95116
   13    10 S   CT   _CG1    13     1.53013   112.63606  -170.59759
   14    13 S   HC   HG11    14     1.09575   110.68770   -67.00638
   15    13 S   HC   HG12    15     1.09672   109.73368    52.23694
   16    13 S   C    _CD1    16     1.51812   112.08215   172.67480
   17    16 S   O    _OE1    17     1.22748   123.22498    10.08992
   18    16 S   N    _N2_    18     1.38649   111.78258  -169.85807
   19    18 S   H    _HN2    19     1.01572   118.97318     1.23019
   20    18 S   CT1  _CA2    20     1.46209   123.37628   176.82331
   21    20 S   HC   _HA2    21     1.09738   109.34568     6.89239
   22    20 S   C    _C2_    22     1.53664   108.75624  -108.66316
   23    22 S   O    _O2_    23     1.23086   122.24712  -147.97141
   24    20 S   CT   _CB2    32     1.53443   111.64588   128.99539
   25    24 S   HC   HB21    33     1.09445   109.52949    56.91106
   26    24 S   HC   HB22    34     1.09338   109.42398   175.64486
   27    22 S   N    _N3_    24     1.38307   113.84293    39.47441
   28    27 S   H    _HN3    25     1.01555   119.63176    -3.10551
   29    24 S   S    _SG2    35     1.82906   111.26097   -64.75163
   30    27 S   CT   _CA3    26     1.45288   123.25975   177.24047
   31    30 S   HC   HA31    27     1.09548   107.49478   -65.18390
   32    30 S   HC   HA32    28     1.09556   108.01326    51.27184
   33    29 S   CT   _C15    36     1.85794   102.01652   171.71738
   34    33 S   OM   _O38    37     1.32138   107.54346  -175.30285
   35    30 S   CO3  _C3_    29     1.52971   114.05145   173.28566
   36    35 S   O2Z  _O31    30     1.26382   116.07373    -0.53959
   37    35 S   O2Z  _O32    31     1.26424   114.41949   179.52071
   38    33 S   CM   _C14    38     1.51794   108.09441   -62.84691
   39    38 S   HC   _H10    39     1.09064   118.56449   -58.31926
   40    38 S   CM   _C13    40     1.34032   123.06456   129.28497
   41    40 S   CT   _C18    41     1.51046   125.99932    -2.32254
   42    41 S   CA   _C7_    42     1.50508    99.41198   148.46885
   43    41 S   CO4  _C17    62     1.52521   107.12971    25.60722
   44    43 S   O    _O36    63     1.23053   121.45891   134.43097
   45    41 S   CT   _C19    72     1.53487   112.06155   -96.24204
   46    45 S   HC   _H11    73     1.09395   112.38866    59.71722
   47    45 S   HC   _H12    74     1.09721   112.01241   -60.62733
   48    45 S   HC   _H13    75     1.09653   110.89171   179.42427
   49    42 S   CA   _C8_    43     1.39286   108.35657    13.36327
   50    33 S   CT   _C16    64     1.56913   112.76908    64.36478
   51    50 S   HC   _H3_    65     1.09668   109.98132   -38.70384
   52    49 S   CA   _C9_    44     1.38954   122.51146   175.60502
   53    40 S   OS   _O35    61     1.39407   121.70926   162.40596
   54    50 S   CO4  _C20    66     1.54325   115.18439    77.99897
   55    54 S   O    _O37    67     1.23213   122.92475    98.73429
   56    52 S   CA   _C10    45     1.42462   121.38348    -0.76617
   57    56 S   OM   _O33    46     1.28148   122.59342  -177.28459
   58    52 S   CO4  _C11    55     1.48366   116.75919  -179.91153
   59    58 S   O    _O34    56     1.22779   119.66406    60.81003
   60    54 S   CT   _C21    68     1.50916   117.30889   -79.77654
   61    60 S   HC   _H14    69     1.09150   109.94438    82.72138
   62    60 S   HC   _H15    70     1.09274   110.33147   -39.25008
   63    60 S   HC   _H16    71     1.09400   109.24857  -157.66025
   64    56 S   CA   _C5_    47     1.44509   114.96863     1.64521
   65    58 S   CT   _C12    57     1.50574   117.93366  -117.83003
   66    65 S   HC   _H7_    58     1.09380   108.83492   129.59914
   67    65 S   HC   _H8_    59     1.09354   111.44676    10.95292
   68    65 S   HC   _H9_    60     1.09278   109.57086  -110.33784
   69    42 S   CA   _C6_    48     1.38036   132.55438  -172.12052
   70    64 S   CT   _C4_    51     1.52063   119.43436  -179.18507
   71    70 S   HC   _H4_    52     1.09459   109.73711    80.89213
   72    70 S   HC   _H5_    53     1.09456   111.99635  -158.47472
   73    70 S   HC   _H6_    54     1.09504   111.32188   -40.37133
   74    69 S   OH   _O39    49     1.36719   121.07319     4.09491
   75    74 S   HO   _H17    50     0.97260   108.80127    17.14686
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  11   4  13  16  17  13   4   7   2   1   1
  10   7   3  12   3   5   4  11   4   6   4   3   2   1   1   7
   3   2   1   1   6   4   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    50    51    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    43    44    50    51    54    55    60  
   38    39    40    43    50    51    54  
   36    37  
   37  
    0  
   39    40    41    42    49    53    43    50    51    54    45  
   40    41    53    50  
   41    42    49    52    69    53    43    44    50    45    46    47    48  
   42    49    52    64    69    74    53    43    44    50    51    54    45    46    47    48  
   49    52    56    64    69    74    75    70    58    53    43    44    50    45    46    47    48  
   44    50    51    54    55    60    45    46    47    48    49    53    69  
   50    51    54    45  
   46    47    48    49    50    53    69  
   47    48  
   48  
    0  
   52    56    57    64    69    74    58    59    65    53  
   51    54    55    60    61    62    63  
   54    55    60  
   56    57    64    69    70    58    59    65    66    67    68    53  
   56    58    69  
   55    60    61    62    63  
   60    61    62    63  
   57    64    69    74    70    71    72    73    58    59    65  
   64    69    70    58  
   59    65    66    67    68    64  
   65    66    67    68  
   61    62    63  
   62    63  
   63  
    0  
   69    74    75    70    71    72    73  
   66    67    68  
   67    68  
   68  
    0  
   74    75    70    71    72    73  
   71    72    73    74  
   72    73  
   73  
    0  
   75  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    50   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   317.000  1.510
   40    53   440.000  1.360
   41    42   317.000  1.510
   41    43   317.000  1.522
   41    45   268.000  1.529
   42    49   469.000  1.400
   42    69   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    56   469.000  1.400
   52    58   310.000  1.470
   56    57   450.000  1.364
   56    64   469.000  1.400
   64    69   469.000  1.400
   64    70   317.000  1.510
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   58    59   570.000  1.229
   58    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    54   317.000  1.522
   54    55   570.000  1.229
   54    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    50    43    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    54    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    40    41    70.00000  124.00000
   38    40    53    80.00000  120.01400
   40    38    39    35.00000  120.00000
   40    41    42    70.00000  112.99600
   40    41    43    70.00000  109.06800
   40    41    45    70.00000  112.02700
   40    53    49    90.00000  114.30300
   41    42    49    70.00000  120.00000
   41    42    69    70.00000  120.00000
   41    43    44    80.00000  120.40000
   41    43    50    70.00000  116.00000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    52    63.00000  120.00000
   42    49    53    70.00000  120.00000
   42    69    64    63.00000  120.00000
   42    69    74    70.00000  120.00000
   49    52    56    63.00000  120.00000
   49    52    58    60.00000  119.52600
   52    56    57    70.00000  120.00000
   52    56    64    63.00000  120.00000
   52    58    59    75.00000  123.78400
   52    58    65    65.00000  115.47100
   56    64    69    63.00000  120.00000
   56    64    70    70.00000  120.00000
   64    56    57    70.00000  120.00000
   64    69    74    70.00000  120.00000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    35.00000  109.50000
   69    42    49    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    64    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   58    52    56    60.00000  119.52600
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   65    58    59    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    40    41    85.00000  112.85300
   53    49    52    70.00000  120.00000
   43    41    42    70.00000  110.93000
   43    50    51    35.00000  109.50000
   43    50    54    75.00000  107.99600
   50    33    34    50.00000  109.50000
   50    33    38    70.00000  112.02700
   50    43    44    80.00000  120.40000
   50    54    55    80.00000  120.40000
   50    54    60    70.00000  116.00000
   54    50    51    35.00000  109.50000
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   54    60    63    35.00000  109.50000
   60    54    55    80.00000  120.40000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   45    41    42    70.00000  112.17500
   45    41    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    43   0.56750  1.0 1.0
   29    33    50    43  -0.07550 -1.0 2.0
   29    33    50    43   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    53   7.00000 -1.0 2.0
   33    50    54    55   0.30150 -1.0 2.0
   33    50    54    60   0.60050  1.0 1.0
   33    50    54    60   0.05600 -1.0 2.0
   33    50    54    60   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    50    43  -0.09450  1.0 1.0
   34    33    50    43  -1.12950 -1.0 2.0
   34    33    50    43   0.54000  1.0 3.0
   34    33    50    51   0.23400  1.0 3.0
   34    33    50    54  -0.09450  1.0 1.0
   34    33    50    54  -1.12950 -1.0 2.0
   34    33    50    54   0.54000  1.0 3.0
   38    33    50    43  -0.98800  1.0 1.0
   38    33    50    43   0.48800 -1.0 2.0
   38    33    50    43   0.76800  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    54  -0.98800  1.0 1.0
   38    33    50    54   0.48800 -1.0 2.0
   38    33    50    54   0.76800  1.0 3.0
   38    40    41    42   1.44450  1.0 1.0
   38    40    41    42   0.06600 -1.0 2.0
   38    40    41    42   0.29250  1.0 3.0
   38    40   -41    43  -0.51250  1.0 1.0
   38    40   -41    43  -0.88800 -1.0 2.0
   38    40   -41    43   0.08850  1.0 3.0
   38    40    41    45   0.09850  1.0 1.0
   38    40    41    45   0.15250 -1.0 2.0
   38    40    41    45  -0.50650  1.0 3.0
   38    40    53    49   2.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    53   7.00000 -1.0 2.0
   40    41   -42    49   0.18050 -1.0 2.0
   40    41    42    69   0.18050 -1.0 2.0
   40    41    43    44   0.30150 -1.0 2.0
   40    41    43    50   0.65300  1.0 1.0
   40    41    43    50  -0.03850 -1.0 2.0
   40    41    43    50   0.33900  1.0 3.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    47   0.15000  1.0 3.0
   40    41    45    48   0.15000  1.0 3.0
   41    40   -53    49   2.00000 -1.0 2.0
   41    42    49    52   3.62500 -1.0 2.0
   41    42   -49    53   3.62500 -1.0 2.0
   41    42    69    64   3.62500 -1.0 2.0
   41    42    69    74   3.62500 -1.0 2.0
   41    43   -50    33   0.60050  1.0 1.0
   41    43   -50    33   0.05600 -1.0 2.0
   41    43   -50    33   0.26150  1.0 3.0
   41    43    50    51   0.00000  1.0 1.0
   41    43    50    54   0.65300  1.0 1.0
   41    43    50    54  -0.03850 -1.0 2.0
   41    43    50    54   0.33900  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    50   0.65300  1.0 1.0
   42    41    43    50  -0.03850 -1.0 2.0
   42    41    43    50   0.33900  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    47   0.43200  1.0 3.0
   42    41    45    48   0.43200  1.0 3.0
   42    49    52    56   3.62500 -1.0 2.0
   42    49    52    58   3.62500 -1.0 2.0
   42    49   -53    40   0.00000  1.0 1.0
   42    69    74    75   0.84100 -1.0 2.0
   49    42    69    64   3.62500 -1.0 2.0
   49    42    69    74   3.62500 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52   -56    64   3.62500 -1.0 2.0
   49    52    58    59   1.05000 -1.0 2.0
   49    52    58    65   2.26350  1.0 1.0
   49    52    58    65   0.76750 -1.0 2.0
   49    52    58    65   0.22500  1.0 3.0
   52    49    53    40   0.00000  1.0 1.0
   52    56    64    69   3.62500 -1.0 2.0
   52    56    64    70   3.62500 -1.0 2.0
   52    58    65    66   0.00000  1.0 1.0
   52    58    65    67   0.00000  1.0 1.0
   52    58    65    68   0.00000  1.0 1.0
   56    52    58    59   1.05000 -1.0 2.0
   56    52    58    65   2.26350  1.0 1.0
   56    52    58    65   0.76750 -1.0 2.0
   56    52    58    65   0.22500  1.0 3.0
   56    64   -69    42   3.62500 -1.0 2.0
   56    64    69    74   3.62500 -1.0 2.0
   56    64    70    71   0.00000  1.0 1.0
   56    64    70    72   0.00000  1.0 1.0
   56    64    70    73   0.00000  1.0 1.0
   57    56    64    69   3.62500 -1.0 2.0
   57    56    64    70   3.62500 -1.0 2.0
   64    69    74    75   0.84100 -1.0 2.0
   69    42   -49    52   3.62500 -1.0 2.0
   69    42    49    53   3.62500 -1.0 2.0
   69    64    70    71   0.00000  1.0 1.0
   69    64    70    72   0.00000  1.0 1.0
   69    64    70    73   0.00000  1.0 1.0
   70    64    69    42   3.62500 -1.0 2.0
   70    64    69    74   3.62500 -1.0 2.0
   58    52    56    57   3.62500 -1.0 2.0
   58    52    56    64   3.62500 -1.0 2.0
   59    58    65    66   0.00000  1.0 1.0
   59    58    65    67   0.00000  1.0 1.0
   59    58    65    68   0.00000  1.0 1.0
   53    40   -41    42   0.09700  1.0 1.0
   53    40   -41    42   0.15600 -1.0 2.0
   53    40   -41    42  -0.50800  1.0 3.0
   53    40    41    43   0.09700  1.0 1.0
   53    40    41    43   0.15600 -1.0 2.0
   53    40    41    43  -0.50800  1.0 3.0
   53    40    41    45   0.09700  1.0 1.0
   53    40    41    45   0.15600 -1.0 2.0
   53    40    41    45  -0.50800  1.0 3.0
   53    49    52    56   3.62500 -1.0 2.0
   53    49    52    58   3.62500 -1.0 2.0
   43    41    42    49   0.04300 -1.0 2.0
   43    41    42    69   0.04300 -1.0 2.0
   43    41    45    46  -0.11250  1.0 3.0
   43    41    45    47  -0.11250  1.0 3.0
   43    41    45    48  -0.11250  1.0 3.0
   43    50    54    55   0.30150 -1.0 2.0
   43    50    54    60   0.65300  1.0 1.0
   43    50    54    60  -0.03850 -1.0 2.0
   43    50    54    60   0.33900  1.0 3.0
   44    43    50    33   0.30150 -1.0 2.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    54   0.30150 -1.0 2.0
   50    33    38    39   0.00000  1.0 1.0
   50    33   -38    40   0.09850  1.0 1.0
   50    33   -38    40   0.15250 -1.0 2.0
   50    33   -38    40  -0.50650  1.0 3.0
   50    54    60    61   0.00000  1.0 1.0
   50    54    60    62   0.00000  1.0 1.0
   50    54    60    63   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    60   0.00000  1.0 1.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   55    54    60    63   0.00000  1.0 1.0
   45    41    42    49   0.04150 -1.0 2.0
   45    41    42    69   0.04150 -1.0 2.0
   45    41    43    44   0.30150 -1.0 2.0
   45    41    43    50   0.60050  1.0 1.0
   45    41    43    50   0.05600 -1.0 2.0
   45    41    43    50   0.26150  1.0 3.0
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    40   1.10000 -1.0 2.0
   41    53    40    38   1.10000 -1.0 2.0
   49    69    42    41   4.00000 -1.0 2.0
   52    53    49    42   4.00000 -1.0 2.0
   56    58    52    49   4.00000 -1.0 2.0
   64    57    56    52   4.00000 -1.0 2.0
   69    70    64    56   4.00000 -1.0 2.0
   64    74    69    42   4.00000 -1.0 2.0
   52    65    58    59  10.50000 -1.0 2.0
   41    50    43    44  10.50000 -1.0 2.0
   50    60    54    55  10.50000 -1.0 2.0
END
