* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    131    222     394
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02082    34.30012  -172.42625
    3     1 S   H    _H1_     3     1.02168    96.15589   -58.06571
    4     1 S   H    _H2_     4     1.02012    83.58250    50.15751
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.84627    98.14436   161.75629
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C10    37     1.52025   106.23740   -59.97403
   38    37 S   O    _O33    38     1.22782   122.57916    98.74953
   39    33 S   CT   _C12    49     1.54044   110.44189   177.81251
   40    39 S   HC   _H3_    50     1.13452   107.75118   -43.92678
   41    33 S   OH   _O40    73     1.42157   108.87280    56.98083
   42    41 S   HO   _H9_    74     0.97085   106.76541   -55.35599
   43    37 S   CA   _C9_    39     1.48062   117.26595   -79.51414
   44    39 S   CM   _C14    51     1.52631   114.18715  -159.22712
   45    43 S   CA   _C4_    40     1.39965   119.12308   161.98332
   46    45 S   HA   _H4_    41     1.08693   120.94843     0.43745
   47    44 S   CM   _C19    52     1.40124   121.87149    87.30806
   48    45 S   CA   _C5_    42     1.39456   119.94681  -178.90621
   49    47 S   CM   _C18    53     1.39268   119.47487  -179.89721
   50    48 S   CA   _C6_    43     1.39331   120.06589    -0.11703
   51    50 S   HA   _H5_    44     1.08716   119.80658   179.91844
   52    49 S   CM   _C17    54     1.39970   120.36912     0.05935
   53    49 S   CMA  _C23    61     1.46631   119.92369  -179.96574
   54    53 S   OM   _O36    62     1.22479   123.04554   179.93744
   55    48 S   OH   _O42    71     1.36161   119.92517   179.85065
   56    55 S   HO   _H11    72     0.97063   110.29641    -0.06561
   57    50 S   CA   _C7_    45     1.39497   120.10195    -0.25179
   58    52 S   CM   _C16    55     1.39473   119.87671    -0.03956
   59    58 S   HC   _H6_    56     1.08977   118.81390   179.93744
   60    52 S   OH   _O38    59     1.36251   122.71324   179.97202
   61    60 S   HO   _H8_    60     0.96971   110.14876    -0.02798
   62    53 S   CM   _C22    63     1.47680   117.41521    -0.00000
   63    62 S   HC   _H7_    64     1.08949   114.56435   180.00000
   64    43 S   CA   _C8_    46     1.39805   120.75504   -17.49137
   65    44 S   CO4  _C15    57     1.39616   117.94669   -92.54235
   66    65 S   O    _O39    58     1.28418   121.43305    -0.19077
   67    62 S   CMA  _C21    65     1.34491   125.71876     0.02798
   68    67 S   OM   _O37    66     1.26306   128.53680   179.92087
   69    57 S   OH   _O41    69     1.36431   116.87440  -179.62518
   70    69 S   HO   _H10    70     0.96972   110.09138   180.00000
   71    64 S   CO4  _C13    47     1.48422   121.33159    -3.08781
   72    71 S   O    _O34    48     1.22969   119.98240  -179.12330
   73    47 S   CO4  _C20    67     1.47904   119.60118     0.14671
   74    73 S   O    _O35    68     1.22965   120.84287    -0.04846
  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  10   5   4   3
  14   2   1   1  13   5  15   7   4   1  10  14   9   4  14   7
  13   8   4  10   8   3   2   1   5   5   3   2   1   5   3   4
   3   1   3   2   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    71    39    40    44    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    45    64    71    72    39    40    44    47    65    41    42  
   35    36  
   36  
    0  
   38    43    45    46    48    57    64    71    39    40    44    41    42  
   43    45    64    39    41  
   40    44    47    49    58    65    66    73    41    42    43    57    64    71    72  
   44    47    65    41    64    71    72  
   42    43    44    71  
    0  
   45    46    48    50    57    64    71    72    69    55  
   47    49    52    58    59    65    66    53    67    73    74    64    71    72  
   46    48    50    51    57    64    71    55    56  
   48    50    64    55  
   49    52    58    65    66    60    53    54    62    67    68    73    74    71  
   50    51    57    64    69    55    56  
   52    58    59    65    60    61    53    54    62    63    67    73    74  
   51    57    64    71    69    70    55    56  
   57    64    69    55  
   58    59    65    66    60    61    53    54    62    73  
   54    62    63    67    68    73    58    60  
   62    63    67  
   56    57  
    0  
   64    71    72    69    70  
   59    65    66    60    61  
   65    66    60  
   61    65  
    0  
   63    67    68    73    74  
   67    68    73  
   71    72    69    70  
   66    73    71  
    0  
   68    73    74  
   73    74  
   70    71  
    0  
   72  
    0  
   74  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -1.317400   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    45   469.000  1.400
   43    64   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    55   450.000  1.364
   50    51   367.000  1.080
   50    57   469.000  1.400
   57    64   469.000  1.400
   57    69   450.000  1.364
   64    71   310.000  1.470
   71    72   570.000  1.229
   71    39   317.000  1.522
   39    40   340.000  1.090
   39    44   317.000  1.510
   44    47   549.000  1.340
   44    65   320.000  1.462
   47    49   380.000  1.444
   47    73   320.000  1.462
   49    52   380.000  1.444
   49    53   465.000  1.376
   52    58   549.000  1.340
   52    60   510.000  1.338
   58    59   340.000  1.080
   58    65   320.000  1.462
   65    66   570.000  1.229
   60    61   553.000  0.945
   53    54   745.000  1.250
   53    62   465.000  1.376
   62    63   340.000  1.080
   62    67   465.000  1.376
   67    68   745.000  1.250
   67    73   270.000  1.476
   73    74   570.000  1.229
   69    70   553.000  0.945
   55    56   553.000  0.945
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    71    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    44    70.00000  112.02700
   33    41    42    55.00000  108.50000
   37    43    45    60.00000  119.52600
   37    43    64    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    45    46    35.00000  120.00000
   43    45    48    63.00000  120.00000
   43    64    57    63.00000  120.00000
   43    64    71    60.00000  119.52600
   45    48    50    63.00000  120.00000
   45    48    55    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    57    63.00000  120.00000
   48    55    56    35.00000  113.00000
   50    57    64    63.00000  120.00000
   50    57    69    70.00000  120.00000
   57    50    51    35.00000  120.00000
   57    64    71    60.00000  119.52600
   57    69    70    35.00000  113.00000
   64    43    45    63.00000  120.00000
   64    71    72    75.00000  123.78400
   64    71    39    65.00000  115.47100
   71    39    40    35.00000  109.50000
   71    39    44    70.00000  109.06800
   39    33    37    63.00000  111.10000
   39    71    72    80.00000  120.40000
   39    44    47    70.00000  124.00000
   39    44    65    65.00000  116.34900
   44    39    40    35.00000  109.50000
   44    47    49    70.00000  123.01800
   44    47    73    65.00000  118.96000
   44    65    58    65.00000  118.65900
   44    65    66    80.00000  123.72100
   47    49    52    70.00000  123.01800
   47    49    53    70.00000  117.34000
   47    73    67    65.00000  118.65900
   47    73    74    80.00000  123.72100
   49    52    58    70.00000  123.01800
   49    52    60    80.00000  121.38400
   49    53    54    65.00000  137.10300
   49    53    62    70.00000  123.01800
   52    58    59    35.00000  120.00000
   52    58    65    65.00000  118.96000
   52    60    61    70.00000  107.45700
   58    65    66    80.00000  123.72100
   65    44    47    65.00000  118.96000
   65    58    59    40.00000  117.72500
   60    52    58    80.00000  121.38400
   53    49    52    70.00000  117.34000
   53    62    63    40.00000  120.50800
   53    62    67    70.00000  117.34000
   62    53    54    65.00000  137.10300
   62    67    68    65.00000  137.10300
   62    67    73    65.00000  114.61000
   67    62    63    40.00000  120.50800
   67    73    74    80.00000  120.81000
   73    47    49    65.00000  118.96000
   73    67    68    85.00000  116.28000
   69    57    64    70.00000  120.00000
   55    48    50    70.00000  120.00000
   41    33    37    90.00000  109.61100
   41    33    39    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    71   0.56750  1.0 1.0
   29    33    39    71  -0.07550 -1.0 2.0
   29    33    39    71   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    45   2.26350  1.0 1.0
   33    37    43    45   0.76750 -1.0 2.0
   33    37    43    45   0.22500  1.0 3.0
   33    37    43    64   2.26350  1.0 1.0
   33    37    43    64   0.76750 -1.0 2.0
   33    37    43    64   0.22500  1.0 3.0
   33    39    44    47   0.09850  1.0 1.0
   33    39    44    47   0.15250 -1.0 2.0
   33    39    44    47  -0.50650  1.0 3.0
   33    39    44    65   0.09700  1.0 1.0
   33    39    44    65   0.15600 -1.0 2.0
   33    39    44    65  -0.50800  1.0 3.0
   37    33    39    71   0.11950  1.0 1.0
   37    33    39    71   0.20300 -1.0 2.0
   37    33    39    71  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.98800  1.0 1.0
   37    33    39    44   0.48800 -1.0 2.0
   37    33    39    44   0.76800  1.0 3.0
   37    33    41    42   0.91850  1.0 1.0
   37    33    41    42   0.57950  1.0 3.0
   37    43    45    46   3.62500 -1.0 2.0
   37    43    45    48   3.62500 -1.0 2.0
   37    43    64    57   3.62500 -1.0 2.0
   37    43   -64    71   3.62500 -1.0 2.0
   38    37    43    45   1.05000 -1.0 2.0
   38    37    43    64   1.05000 -1.0 2.0
   43    45    48    50   3.62500 -1.0 2.0
   43    45    48    55   3.62500 -1.0 2.0
   43    64    71    72   1.05000 -1.0 2.0
   43    64    71    39   2.26350  1.0 1.0
   43    64    71    39   0.76750 -1.0 2.0
   43    64    71    39   0.22500  1.0 3.0
   45    43    64    57   3.62500 -1.0 2.0
   45    43    64    71   3.62500 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48   -50    57   3.62500 -1.0 2.0
   45    48    55    56   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    55   3.62500 -1.0 2.0
   48    50    57    64   3.62500 -1.0 2.0
   48    50    57    69   3.62500 -1.0 2.0
   50    48    55    56   0.84100 -1.0 2.0
   50    57   -64    43   3.62500 -1.0 2.0
   50    57    64    71   3.62500 -1.0 2.0
   50    57    69    70   0.84100 -1.0 2.0
   51    50    57    64   3.62500 -1.0 2.0
   51    50    57    69   3.62500 -1.0 2.0
   57    64    71    72   1.05000 -1.0 2.0
   57    64    71    39   2.26350  1.0 1.0
   57    64    71    39   0.76750 -1.0 2.0
   57    64    71    39   0.22500  1.0 3.0
   64    43    45    46   3.62500 -1.0 2.0
   64    43   -45    48   3.62500 -1.0 2.0
   64    57    69    70   0.84100 -1.0 2.0
   64    71   -39    33   0.05850 -1.0 2.0
   64    71   -39    33   0.17250  1.0 3.0
   64    71    39    40   0.00000  1.0 1.0
   64    71    39    44   0.65300  1.0 1.0
   64    71    39    44  -0.03850 -1.0 2.0
   64    71    39    44   0.33900  1.0 3.0
   71    39    44    47  -0.51250  1.0 1.0
   71    39    44    47  -0.88800 -1.0 2.0
   71    39    44    47   0.08850  1.0 3.0
   71    39    44    65   0.09700  1.0 1.0
   71    39    44    65   0.15600 -1.0 2.0
   71    39    44    65  -0.50800  1.0 3.0
   72    71    39    33   0.30150 -1.0 2.0
   72    71    39    40   0.00000  1.0 1.0
   72    71    39    44   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.05850 -1.0 2.0
   39    33   -37    43   0.17250  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    44    47    49   7.00000 -1.0 2.0
   39    44    47    73   7.00000 -1.0 2.0
   39    44    65    58   1.50000 -1.0 2.0
   39    44    65    66  -0.64400  1.0 1.0
   39    44    65    66   0.26850 -1.0 2.0
   40    39    44    47   0.00000  1.0 1.0
   40    39    44    65   0.15000  1.0 3.0
   44    47    49    52   0.28850  1.0 1.0
   44    47    49    52   2.61350 -1.0 2.0
   44    47    49    52   0.78400  1.0 3.0
   44    47    49    53   0.28850  1.0 1.0
   44    47    49    53   2.61350 -1.0 2.0
   44    47    49    53   0.78400  1.0 3.0
   44    47    73    67  -1.18350  1.0 1.0
   44    47    73    67   1.45950 -1.0 2.0
   44    47    73    74   1.00000 -1.0 2.0
   47    44    65    58  -1.18350  1.0 1.0
   47    44    65    58   1.45950 -1.0 2.0
   47    44    65    66   1.00000 -1.0 2.0
   47    49   -52    58   0.28850  1.0 1.0
   47    49   -52    58   2.61350 -1.0 2.0
   47    49   -52    58   0.78400  1.0 3.0
   47    49    52    60   0.50950  1.0 1.0
   47    49    52    60   0.56650 -1.0 2.0
   47    49    52    60   0.34050  1.0 3.0
   47    49    53    54   7.00000 -1.0 2.0
   47    49    53    62   7.00000 -1.0 2.0
   49    47    73    67  -1.18350  1.0 1.0
   49    47    73    67   1.45950 -1.0 2.0
   49    47    73    74   1.00000 -1.0 2.0
   49    52    58    59   7.00000 -1.0 2.0
   49    52    58    65   7.00000 -1.0 2.0
   49    52    60    61  -0.66100  1.0 1.0
   49    52    60    61   1.20850 -1.0 2.0
   49    52    60    61  -0.36000  1.0 3.0
   49    53    62    63   7.00000 -1.0 2.0
   49    53   -62    67   7.00000 -1.0 2.0
   52    49    53    54   7.00000 -1.0 2.0
   52    49    53    62   7.00000 -1.0 2.0
   52    58   -65    44  -1.18350  1.0 1.0
   52    58   -65    44   1.45950 -1.0 2.0
   52    58    65    66   1.00000 -1.0 2.0
   58    52    60    61  -0.66100  1.0 1.0
   58    52    60    61   1.20850 -1.0 2.0
   58    52    60    61  -0.36000  1.0 3.0
   59    58    65    44   0.93700 -1.0 2.0
   59    58    65    66   0.00000  1.0 1.0
   65    44   -47    49   7.00000 -1.0 2.0
   65    44    47    73   7.00000 -1.0 2.0
   60    52    58    59   7.00000 -1.0 2.0
   60    52    58    65   7.00000 -1.0 2.0
   53    49    52    58   0.28850  1.0 1.0
   53    49    52    58   2.61350 -1.0 2.0
   53    49    52    58   0.78400  1.0 3.0
   53    49    52    60   0.50950  1.0 1.0
   53    49    52    60   0.56650 -1.0 2.0
   53    49    52    60   0.34050  1.0 3.0
   53    62    67    68   7.00000 -1.0 2.0
   53    62    67    73   7.00000 -1.0 2.0
   54    53    62    63   7.00000 -1.0 2.0
   54    53    62    67   7.00000 -1.0 2.0
   62    67   -73    47  -1.18350  1.0 1.0
   62    67   -73    47   1.45950 -1.0 2.0
   62    67    73    74   1.00000 -1.0 2.0
   63    62    67    68   7.00000 -1.0 2.0
   63    62    67    73   7.00000 -1.0 2.0
   68    67    73    47   1.50000 -1.0 2.0
   68    67    73    74  -0.11900  1.0 1.0
   68    67    73    74   0.76850 -1.0 2.0
   68    67    73    74   0.14100  1.0 3.0
   73    47    49    52  -0.18600  1.0 3.0
   73    47   -49    53  -0.18600  1.0 3.0
   69    57    64    43   3.62500 -1.0 2.0
   69    57    64    71   3.62500 -1.0 2.0
   55    48    50    51   3.62500 -1.0 2.0
   55    48    50    57   3.62500 -1.0 2.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    71  -0.09450  1.0 1.0
   41    33    39    71  -1.12950 -1.0 2.0
   41    33    39    71   0.54000  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   1.05650  1.0 1.0
   41    33    39    44   0.15600 -1.0 2.0
   41    33    39    44   0.53150  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   45    64    43    37   4.00000 -1.0 2.0
   48    46    45    43   1.10000 -1.0 2.0
   50    55    48    45   4.00000 -1.0 2.0
   57    51    50    48   1.10000 -1.0 2.0
   64    69    57    50   4.00000 -1.0 2.0
   57    71    64    43   4.00000 -1.0 2.0
   64    39    71    72  10.50000 -1.0 2.0
   39    65    44    47   1.10000 -1.0 2.0
   49    73    47    44   1.10000 -1.0 2.0
   47    52    49    53   1.10000 -1.0 2.0
   49    60    52    58   1.10000 -1.0 2.0
   65    59    58    52   1.10000 -1.0 2.0
   44    58    65    66  10.50000 -1.0 2.0
   62    54    53    49   1.10000 -1.0 2.0
   53    63    62    67   1.10000 -1.0 2.0
   73    68    67    62   1.10000 -1.0 2.0
   47    67    73    74  10.50000 -1.0 2.0
END
