* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    233     434
    1     0 S   NP   _N1_     1    28.60259    95.28710   -22.32891
    2     1 S   H    _HN1     2     1.02778    96.25366   -81.98260
    3     1 S   H    _H1_     3     1.02961    83.09812    25.79785
    4     1 S   H    _H2_     4     1.02836    32.20688   164.04711
    5     1 S   CT   _CA1     5     1.50119   141.18523   139.95650
    6     5 S   HC   _HA1     6     1.09576   105.23025    72.56934
    7     5 S   CO3  _C1_     7     1.53783   112.40026   -47.62604
    8     7 S   O2Z  _O11     8     1.26356   115.00414   -43.69962
    9     7 S   O2Z  _O12     9     1.26241   114.91843   135.48506
   10     5 S   CT   _CB1    10     1.53096   107.42632  -169.53948
   11    10 S   HC   HB11    11     1.09824   109.30674   -51.01909
   12    10 S   HC   HB12    12     1.09819   110.42048    65.52050
   13    10 S   CT   _CG1    13     1.53009   112.68717  -172.14155
   14    13 S   HC   HG11    14     1.09598   110.42236   -64.03304
   15    13 S   HC   HG12    15     1.09653   109.99403    55.18356
   16    13 S   C    _CD1    16     1.51821   112.33915   175.50865
   17    16 S   O    _OE1    17     1.22718   123.26313    -2.68263
   18    16 S   N    _N2_    18     1.38633   111.62054   177.61361
   19    18 S   H    _HN2    19     1.01578   119.01526     1.30161
   20    18 S   CT1  _CA2    20     1.46214   123.42154   179.93439
   21    20 S   HC   _HA2    21     1.09735   109.41071    -6.05715
   22    20 S   C    _C2_    22     1.53474   108.35172  -121.63962
   23    22 S   O    _O2_    23     1.23021   122.23521  -145.33403
   24    20 S   CT   _CB2    32     1.53394   111.53447   115.96346
   25    24 S   HC   HB21    33     1.09598   109.95956    55.74717
   26    24 S   HC   HB22    34     1.09466   110.12497   174.73873
   27    22 S   N    _N3_    24     1.38507   113.44614    41.99128
   28    27 S   H    _HN3    25     1.01509   118.94630    -0.58249
   29    24 S   S    _SG2    35     1.82789   111.68043   -65.10547
   30    27 S   CT   _CA3    26     1.45457   123.50236   175.16001
   31    30 S   HC   HA31    27     1.09518   109.32201    22.96550
   32    30 S   HC   HA32    28     1.09498   107.10541   139.98147
   33    29 S   CT   _C9_    36     1.82569    99.53306   174.22762
   34    33 S   HC   _H3_    37     1.09319   108.50696   -41.16345
   35    30 S   CO3  _C3_    29     1.52916   113.03499  -100.56927
   36    35 S   O2Z  _O31    30     1.26407   115.36854   -45.30784
   37    35 S   O2Z  _O32    31     1.26349   115.00578   135.60298
   38    33 S   CM   _C4_    38     1.49499   111.55785    78.06899
   39    38 S   HC   _H21    39     1.08300   123.87694   -38.54175
   40    38 S   CMA  _C5_    40     1.34536   112.99567   143.49767
   41    40 S   OM   _O16    41     1.25840   132.57089   178.74057
   42    40 S   CT   _C14    42     1.57397   110.01438     0.89043
   43    42 S   CT   _C13    43     1.56703   113.05416  -141.25959
   44    43 S   HC   _H30    44     1.09997   108.81310    26.76342
   45    33 S   CT   _C15    55     1.56058   114.76142  -167.18502
   46    42 S   CT   _C18    71     1.55224   105.10778    96.84156
   47    46 S   HC   _H37    72     1.08990   112.45158   172.99154
   48    46 S   HC   _H38    73     1.09738   111.75600    54.31095
   49    46 S   HC   _H39    74     1.09517   112.25878   -64.85687
   50    43 S   CT   _C11    45     1.53739   120.85897   150.47602
   51    50 S   HC   _H28    46     1.09772   109.53338   -90.18364
   52    45 S   OH   _O19    56     1.45404   108.22416   -39.63973
   53    52 S   HO   _H40    57     0.97260   108.39865   -50.34582
   54    50 S   CT   _C7_    47     1.53572   116.36632    31.64819
   55    54 S   HC   _H22    48     1.09578   108.87358   161.00120
   56    54 S   HC   _H23    49     1.09172   112.25487    44.73771
   57    50 S   CT   _C10    62     1.53824   100.76816   156.78017
   58    57 S   HC   _H27    63     1.09856   108.72636    79.01845
   59    54 S   CT   _C8_    50     1.53038   113.30208   -83.23799
   60    59 S   HC   _H24    51     1.09875   107.84953  -161.93659
   61    59 S   HC   _H25    52     1.09831   108.69574   -49.02086
   62    57 S   CO4  _C6_    64     1.50187   102.47126   -33.31368
   63    62 S   O    _O17    65     1.22085   126.37147  -159.21184
   64    57 S   CT   _C16    67     1.51837   117.62232  -157.12680
   65    64 S   HC   _H31    68     1.09523   112.06975    67.41798
   66    64 S   HC   _H32    69     1.09446   111.06729   -54.86220
   67    64 S   HC   _H33    70     1.09598   110.22754  -174.09329
   68    59 S   CT   _C12    53     1.54005   117.54348    75.28583
   69    68 S   HC   _H29    54     1.10109   103.61431  -167.50642
   70    43 S   OS   _O18    66     1.44753   109.62653   -88.48626
   71    68 S   CT   _C17    58     1.53319   109.97848    81.74006
   72    71 S   HC   _H34    59     1.09079   112.95047   -54.39622
   73    71 S   HC   _H35    60     1.09177   112.67967  -178.26596
   74    71 S   HC   _H36    61     1.09710   109.57208    63.58270
  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
  15   7   2   1   1   9   4  13   4  19  20   8  18   7   2   1
   1  17   9   5   1  13   6   5   9   7   8   4   3   6   2   4
   2   1   1   5   4   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    68    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    59    68    69    45    52    53    71    46  
   38    39    40    42    68    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    68    45    52    46  
   40    41    42    45  
   41    42    43    44    50    68    45    52    70    46    47    48    49  
   42    43    45    46  
   43    44    50    51    54    59    68    69    45    52    53    71    57    62    70    46    47    48    49  
   44    50    51    54    55    56    59    68    45    52    57    58    62    63    70    64    46    47    48    49  
   50    51    54    45    57    62    70    46  
   52    53    71    72    73    74    70    46    47    48    49    50    54    59    60    61    68    69  
   47    48    49    50    52    68    70  
   48    49  
   49  
    0  
   51    54    55    56    59    60    61    68    57    58    62    63    70    64    65    66    67  
   54    55    56    59    57    58    62    70    64  
   53    71    59    68    69  
   68  
   55    56    59    60    61    68    69    71    57    58    62    70    64  
   56    59    60    61    68    57  
   59    60    61    68    57  
   58    62    63    70    64    65    66    67    59  
   62    63    70    64    65    66    67  
   60    61    68    69    71    72    73    74  
   61    68    69    71  
   68    69    71  
   63    70    64    65    66    67  
   70    64  
   65    66    67    70  
   66    67  
   67  
    0  
   69    71    72    73    74  
   71    72    73    74  
    0  
   72    73    74  
   73    74  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    45   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    46   268.000  1.529
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    70   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   268.000  1.529
   68    69   340.000  1.090
   68    45   268.000  1.529
   68    71   268.000  1.529
   45    52   320.000  1.410
   52    53   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    62   317.000  1.522
   57    64   268.000  1.529
   62    63   570.000  1.229
   62    70   214.000  1.327
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    45    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    42    58.35000  112.70000
   33    45    68    58.35000  112.70000
   33    45    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    46    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    50    58.35000  112.70000
   42    43    70    50.00000  109.50000
   42    45    68    58.35000  112.70000
   42    45    52    50.00000  109.50000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    54    58.35000  112.70000
   43    50    57    58.35000  112.70000
   43    70    62    83.00000  116.90000
   50    43    44    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    59    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    62    63.00000  111.10000
   50    57    64    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    68    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    68    69    37.50000  110.70000
   59    68    45    58.35000  112.70000
   59    68    71    58.35000  112.70000
   61    59    60    33.00000  107.80000
   68    59    60    37.50000  110.70000
   68    59    61    37.50000  110.70000
   68    45    52    50.00000  109.50000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    37.50000  110.70000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    42    43    58.35000  112.70000
   45    68    69    37.50000  110.70000
   45    52    53    55.00000  108.50000
   71    68    69    37.50000  110.70000
   71    68    45    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    62    63    80.00000  120.40000
   57    62    70    81.00000  111.40000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   62    57    58    35.00000  109.50000
   70    43    44    35.00000  109.50000
   70    43    50    50.00000  109.50000
   70    62    63    83.00000  123.40000
   64    57    58    37.50000  110.70000
   64    57    62    63.00000  111.10000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   46    42    43    58.35000  112.70000
   46    42    45    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    45    42   0.44750  1.0 1.0
   29    33    45    42  -0.17800 -1.0 2.0
   29    33    45    42   0.20200  1.0 3.0
   29    33    45    68   0.44750  1.0 1.0
   29    33    45    68  -0.17800 -1.0 2.0
   29    33    45    68   0.20200  1.0 3.0
   29    33    45    52   0.56750  1.0 1.0
   29    33    45    52  -0.07550 -1.0 2.0
   29    33    45    52   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    45    52    53  -0.11600  1.0 1.0
   33    45    52    53  -0.09450 -1.0 2.0
   33    45    52    53   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    42   0.15000  1.0 3.0
   34    33    45    68   0.15000  1.0 3.0
   34    33    45    52   0.23400  1.0 3.0
   38    33   -45    42   0.34400  1.0 1.0
   38    33   -45    42   0.09450 -1.0 2.0
   38    33   -45    42   0.11100  1.0 3.0
   38    33    45    68   0.34400  1.0 1.0
   38    33    45    68   0.09450 -1.0 2.0
   38    33    45    68   0.11100  1.0 3.0
   38    33    45    52   1.05650  1.0 1.0
   38    33    45    52   0.15600 -1.0 2.0
   38    33    45    52   0.53150  1.0 3.0
   38    40    42    43   0.09850  1.0 1.0
   38    40    42    43   0.15250 -1.0 2.0
   38    40    42    43  -0.50650  1.0 3.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   38    40    42    46   0.09850  1.0 1.0
   38    40    42    46   0.15250 -1.0 2.0
   38    40    42    46  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    50   0.34400  1.0 1.0
   40    42    43    50   0.09450 -1.0 2.0
   40    42    43    50   0.11100  1.0 3.0
   40    42    43    70   0.61850  1.0 1.0
   40    42    43    70  -0.22750 -1.0 2.0
   40    42    43    70   0.15300  1.0 3.0
   40    42   -45    33   0.34400  1.0 1.0
   40    42   -45    33   0.09450 -1.0 2.0
   40    42   -45    33   0.11100  1.0 3.0
   40    42    45    68   0.34400  1.0 1.0
   40    42    45    68   0.09450 -1.0 2.0
   40    42    45    68   0.11100  1.0 3.0
   40    42    45    52   1.05650  1.0 1.0
   40    42    45    52   0.15600 -1.0 2.0
   40    42    45    52   0.53150  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    49   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   42    43    50    51   0.15000  1.0 3.0
   42    43    50    54   0.56750  1.0 1.0
   42    43    50    54  -0.07550 -1.0 2.0
   42    43    50    54   0.20000  1.0 3.0
   42    43    50    57   0.56750  1.0 1.0
   42    43    50    57  -0.07550 -1.0 2.0
   42    43    50    57   0.20000  1.0 3.0
   42    43    70    62  -0.25900  1.0 1.0
   42    43    70    62  -0.47000 -1.0 2.0
   42    43    70    62   0.11750  1.0 3.0
   42    45    52    53  -0.11600  1.0 1.0
   42    45    52    53  -0.09450 -1.0 2.0
   42    45    52    53   0.21250  1.0 3.0
   43    42    45    33   0.56750  1.0 1.0
   43    42    45    33  -0.07550 -1.0 2.0
   43    42    45    33   0.20000  1.0 3.0
   43    42    45    68   0.56750  1.0 1.0
   43    42    45    68  -0.07550 -1.0 2.0
   43    42    45    68   0.20000  1.0 3.0
   43    42    45    52   0.86500  1.0 1.0
   43    42    45    52  -0.17500 -1.0 2.0
   43    42    45    52   0.20800  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    50    54    55   0.15000  1.0 3.0
   43    50    54    56   0.15000  1.0 3.0
   43    50    54    59   0.56750  1.0 1.0
   43    50    54    59  -0.07550 -1.0 2.0
   43    50    54    59   0.20000  1.0 3.0
   43    50    57    58   0.15000  1.0 3.0
   43    50   -57    62  -0.95700  1.0 1.0
   43    50   -57    62  -0.18200 -1.0 2.0
   43    50   -57    62   0.29450  1.0 3.0
   43    50    57    64   0.56750  1.0 1.0
   43    50    57    64  -0.07550 -1.0 2.0
   43    50    57    64   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   44    43    50    57   0.15000  1.0 3.0
   44    43    70    62   0.08050  1.0 3.0
   50    43   -70    62  -0.25900  1.0 1.0
   50    43   -70    62  -0.47000 -1.0 2.0
   50    43   -70    62   0.11750  1.0 3.0
   50    54    59    60   0.15000  1.0 3.0
   50    54    59    61   0.15000  1.0 3.0
   50    54    59    68   0.56750  1.0 1.0
   50    54    59    68  -0.07550 -1.0 2.0
   50    54    59    68   0.20000  1.0 3.0
   50    57    62    63   0.30150 -1.0 2.0
   50    57   -62    70   0.36750  1.0 3.0
   50    57    64    65   0.15000  1.0 3.0
   50    57    64    66   0.15000  1.0 3.0
   50    57    64    67   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    59   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    62  -0.11250  1.0 3.0
   51    50    57    64   0.15000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    62  -0.95700  1.0 1.0
   54    50    57    62  -0.18200 -1.0 2.0
   54    50    57    62   0.29450  1.0 3.0
   54    50    57    64   0.56750  1.0 1.0
   54    50    57    64  -0.07550 -1.0 2.0
   54    50    57    64   0.20000  1.0 3.0
   54    59    68    69   0.15000  1.0 3.0
   54    59    68    45   0.56750  1.0 1.0
   54    59    68    45  -0.07550 -1.0 2.0
   54    59    68    45   0.20000  1.0 3.0
   54    59    68    71   0.56750  1.0 1.0
   54    59    68    71  -0.07550 -1.0 2.0
   54    59    68    71   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    68   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    68   0.15000  1.0 3.0
   59    68    45    33   0.56750  1.0 1.0
   59    68    45    33  -0.07550 -1.0 2.0
   59    68    45    33   0.20000  1.0 3.0
   59    68    45    42   0.56750  1.0 1.0
   59    68    45    42  -0.07550 -1.0 2.0
   59    68    45    42   0.20000  1.0 3.0
   59    68    45    52   0.86500  1.0 1.0
   59    68    45    52  -0.17500 -1.0 2.0
   59    68    45    52   0.20800  1.0 3.0
   59    68    71    72   0.15000  1.0 3.0
   59    68    71    73   0.15000  1.0 3.0
   59    68    71    74   0.15000  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    45   0.15000  1.0 3.0
   60    59    68    71   0.15000  1.0 3.0
   61    59    68    69   0.15000  1.0 3.0
   61    59    68    45   0.15000  1.0 3.0
   61    59    68    71   0.15000  1.0 3.0
   68    45    52    53  -0.11600  1.0 1.0
   68    45    52    53  -0.09450 -1.0 2.0
   68    45    52    53   0.21250  1.0 3.0
   69    68    45    33   0.15000  1.0 3.0
   69    68    45    42   0.15000  1.0 3.0
   69    68    45    52   0.23400  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40   0.09850  1.0 1.0
   45    33   -38    40   0.15250 -1.0 2.0
   45    33   -38    40  -0.50650  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    50   0.56750  1.0 1.0
   45    42    43    50  -0.07550 -1.0 2.0
   45    42    43    50   0.20000  1.0 3.0
   45    42    43    70   0.62750  1.0 1.0
   45    42    43    70  -0.30950 -1.0 2.0
   45    42    43    70   0.27300  1.0 3.0
   45    42    46    47   0.15000  1.0 3.0
   45    42    46    48   0.15000  1.0 3.0
   45    42    46    49   0.15000  1.0 3.0
   45    68    71    72   0.15000  1.0 3.0
   45    68    71    73   0.15000  1.0 3.0
   45    68    71    74   0.15000  1.0 3.0
   71    68    45    33   0.56750  1.0 1.0
   71    68    45    33  -0.07550 -1.0 2.0
   71    68    45    33   0.20000  1.0 3.0
   71    68    45    42   0.56750  1.0 1.0
   71    68    45    42  -0.07550 -1.0 2.0
   71    68    45    42   0.20000  1.0 3.0
   71    68    45    52   0.86500  1.0 1.0
   71    68    45    52  -0.17500 -1.0 2.0
   71    68    45    52   0.20800  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    59   0.56750  1.0 1.0
   57    50    54    59  -0.07550 -1.0 2.0
   57    50    54    59   0.20000  1.0 3.0
   57    62   -70    43   1.63150  1.0 1.0
   57    62   -70    43   2.92000 -1.0 2.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    70   0.00000  1.0 1.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   62    57    64    65  -0.11250  1.0 3.0
   62    57    64    66  -0.11250  1.0 3.0
   62    57    64    67  -0.11250  1.0 3.0
   63    62    70    43   3.00000 -1.0 2.0
   70    43    50    51   0.23400  1.0 3.0
   70    43    50    54   0.62750  1.0 1.0
   70    43    50    54  -0.30950 -1.0 2.0
   70    43    50    54   0.27300  1.0 3.0
   70    43   -50    57   0.62750  1.0 1.0
   70    43   -50    57  -0.30950 -1.0 2.0
   70    43   -50    57   0.27300  1.0 3.0
   64    57    62    63   0.30150 -1.0 2.0
   64    57    62    70   0.36750  1.0 3.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    50   0.56750  1.0 1.0
   46    42    43    50  -0.07550 -1.0 2.0
   46    42    43    50   0.20000  1.0 3.0
   46    42    43    70   0.62750  1.0 1.0
   46    42    43    70  -0.30950 -1.0 2.0
   46    42    43    70   0.27300  1.0 3.0
   46    42    45    33   0.56750  1.0 1.0
   46    42    45    33  -0.07550 -1.0 2.0
   46    42    45    33   0.20000  1.0 3.0
   46    42    45    68   0.56750  1.0 1.0
   46    42    45    68  -0.07550 -1.0 2.0
   46    42    45    68   0.20000  1.0 3.0
   46    42    45    52   0.86500  1.0 1.0
   46    42    45    52  -0.17500 -1.0 2.0
   46    42    45    52   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   57    70    62    63  10.50000 -1.0 2.0
END
