* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    135    206     391
    1     0 S   NP   _N1_     1    28.87621    95.04292   -20.69572
    2     1 S   H    _HN1     2     1.02836    34.32975   151.76793
    3     1 S   H    _H1_     3     1.02777    85.45731   -76.69653
    4     1 S   H    _H2_     4     1.02956    90.67727    31.66131
    5     1 S   CT   _CA1     5     1.50145   144.84795   160.11810
    6     5 S   HC   _HA1     6     1.09573   105.20112    54.07405
    7     5 S   CO3  _C1_     7     1.53860   112.38419   -66.04423
    8     7 S   O2Z  _O11     8     1.26369   115.02124   -41.58252
    9     7 S   O2Z  _O12     9     1.26232   114.95832   137.49735
   10     5 S   CT   _CB1    10     1.53113   107.40176   171.98599
   11    10 S   HC   HB11    11     1.09817   109.43650   -49.69573
   12    10 S   HC   HB12    12     1.09807   110.36400    66.88189
   13    10 S   CT   _CG1    13     1.52972   112.64283  -170.78072
   14    13 S   HC   HG11    14     1.09523   110.25890   -61.25731
   15    13 S   HC   HG12    15     1.09639   110.08524    57.74192
   16    13 S   C    _CD1    16     1.51874   112.35563   177.95139
   17    16 S   O    _OE1    17     1.22722   123.20677    -9.77073
   18    16 S   N    _N2_    18     1.38565   111.62320   170.94143
   19    18 S   H    _HN2    19     1.01593   118.87373    -0.18452
   20    18 S   CT1  _CA2    20     1.46265   123.71139  -178.01771
   21    20 S   HC   _HA2    21     1.09726   109.39364   -14.12529
   22    20 S   C    _C2_    22     1.53420   108.12892  -129.81764
   23    22 S   O    _O2_    23     1.23008   122.34122  -145.64432
   24    20 S   CT   _CB2    32     1.53474   111.21220   108.14069
   25    24 S   HC   HB21    33     1.09222   109.50725    54.05512
   26    24 S   HC   HB22    34     1.09497   110.80939   172.36894
   27    22 S   N    _N3_    24     1.38546   113.32154    41.76145
   28    27 S   H    _HN3    25     1.01529   118.86852    -0.69745
   29    24 S   S    _SG2    35     1.82545   111.60918   -68.50009
   30    27 S   CT   _CA3    26     1.45442   123.44666   175.13655
   31    30 S   HC   HA31    27     1.09525   109.21222    24.82045
   32    30 S   HC   HA32    28     1.09495   107.12611   141.81296
   33    29 S   CT   _C7_    36     1.83784   100.79040   143.46753
   34    33 S   HC   _H3_    37     1.09291   103.57542    44.61928
   35    30 S   CO3  _C3_    29     1.52925   113.13914   -98.64585
   36    35 S   O2Z  _O31    30     1.26401   115.41832   -44.41358
   37    35 S   O2Z  _O32    31     1.26358   114.97913   136.53600
   38    33 S   CM   _C6_    38     1.52011   107.05306   158.32863
   39    38 S   HC   _H8_    39     1.08695   115.77899    76.62634
   40    33 S   C3T  _C8_    46     1.54478   115.91422   -73.65774
   41    38 S   CMA  _C5_    40     1.35274   126.13356  -103.78947
   42    41 S   OM   _O35    41     1.26155   131.62583     0.83204
   43    40 S   CT   _C13    47     1.55549   116.58149   136.64092
   44    40 S   O3T  _O33    57     1.43432   115.26875     0.74703
   45    41 S   CT   _C4_    42     1.51880   117.25092  -179.52895
   46    45 S   HC   _H5_    43     1.09767   111.17607   119.60608
   47    45 S   HC   _H6_    44     1.09665   112.37620     0.14537
   48    45 S   HC   _H7_    45     1.09765   111.21708  -119.36624
   49    43 S   CT   _C12    48     1.55161   111.78211   176.67704
   50    49 S   HC   _H11    49     1.09866   110.44029  -171.65852
   51    49 S   HC   _H12    50     1.09974   110.33655    73.11160
   52    43 S   CT   _C14    64     1.54317   110.35057    55.88536
   53    52 S   HC   _H13    65     1.09392   111.54022   -70.83370
   54    52 S   HC   _H14    66     1.09599   111.32941   170.23727
   55    52 S   HC   _H15    67     1.09486   111.75308    49.40820
   56    43 S   CT   _C15    68     1.54359   111.27831   -64.55017
   57    56 S   HC   _H16    69     1.09392   112.42059    63.22524
   58    56 S   HC   _H17    70     1.09561   111.10550   -57.35539
   59    56 S   HC   _H18    71     1.09638   111.00821  -177.03304
   60    49 S   CT   _C11    51     1.52164   112.94533   -48.69000
   61    60 S   HC   _H4_    52     1.09464   110.78879   -56.09127
   62    60 S   CT   _C10    53     1.51954   110.32177    66.83657
   63    62 S   HC   _H9_    54     1.09854   110.22800    73.63763
   64    62 S   HC   _H10    55     1.09798   108.10980  -172.20401
   65    60 S   OH   _O34    62     1.42618   108.27520  -173.68711
   66    65 S   HO   _H19    63     0.97251   107.54682  -177.25106
   67    40 S   C3T  _C9_    56     1.57008   121.95590   -64.53096
   68    67 S   CT   _C16    58     1.50257   124.44961     5.00864
   69    68 S   HC   _H20    59     1.08864   114.35588    26.19828
   70    68 S   HC   _H21    60     1.09476   109.89068   -95.46714
   71    68 S   HC   _H22    61     1.09507   110.13105   146.07501
  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  11   4  23   5   4  18  12   3   2   1   1
  18   7   6   9   3   2   1   5   2   1   1   8   6   9   4   3
   2   1   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    67    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    40    43    49    62    67    44    68    52    56  
   38    39    41    40    43    67    44  
   36    37  
   37  
    0  
   39    41    42    45    46    47    48    40    43    67    44  
   41    42    45    40  
   43    49    50    51    60    62    63    64    67    44    68    69    70    71    52    53    54    55    56    57    58    59    41  
   42    45    46    47    48  
   45    46    47    48  
   49    50    51    60    61    62    67    44    68    65    52    53    54    55    56    57    58    59  
   68    69    70    71    52    56    49    60    62    63    64    67  
   46    47    48  
   47    48  
   48  
    0  
   50    51    60    61    62    63    64    67    65    66    52    53    54    55    56    57    58    59  
   51    60    61    62    65    52    56  
   60    61    62    65    52    56  
   53    54    55    56    57    58    59    60    67  
   54    55    56  
   55    56  
   56  
   57    58    59    60    67  
   58    59  
   59  
    0  
   61    62    63    64    67    68    65    66  
   62    63    64    67    65    66  
   63    64    67    68    69    70    71    65    66  
   64    67    68    65  
   67    68    65  
   66    67  
    0  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   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    40   275.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   40    43   275.000  1.510
   40    67   260.000  1.509
   40    44   335.000  1.432
   43    49   268.000  1.529
   43    52   268.000  1.529
   43    56   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   275.000  1.510
   67    44   335.000  1.432
   67    68   275.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   65    66   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    58.35000  112.70000
   33    40    67    60.00000  120.94000
   33    40    44    80.00000  116.47100
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    45    46    45.00000  110.52000
   41    45    47    45.00000  110.52000
   41    45    48    45.00000  110.52000
   45    41    42    85.00000  112.85300
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   40    33    34    45.00000  109.38400
   40    33    38    70.00000  112.02700
   40    43    49    70.00000  112.37300
   40    43    52    70.00000  112.37300
   40    43    56    70.00000  112.37300
   40    67    62    60.00000  120.94000
   40    67    44    15.00000   60.43100
   40    67    68    60.00000  120.94000
   40    44    67    15.00000   59.14900
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    60    58.35000  112.70000
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   43    52    55    37.50000  110.70000
   43    56    57    37.50000  110.70000
   43    56    58    37.50000  110.70000
   43    56    59    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    58.35000  112.70000
   49    60    65    50.00000  109.50000
   51    49    50    33.00000  107.80000
   60    49    50    37.50000  110.70000
   60    49    51    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    67    70.00000  112.37300
   60    65    66    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    67    44    80.00000  116.47100
   62    67    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    40    43    60.00000  120.94000
   67    62    63    45.00000  109.38400
   67    62    64    45.00000  109.38400
   67    68    69    45.00000  109.38400
   67    68    70    45.00000  109.38400
   67    68    71    45.00000  109.38400
   44    40    43    80.00000  116.47100
   44    40    67    15.00000   60.43100
   68    67    44    80.00000  116.47100
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    50.00000  109.50000
   52    43    49    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    43    49    58.35000  112.70000
   56    43    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    40    43    49   0.56750  1.0 1.0
   33    40    43    49  -0.07550 -1.0 2.0
   33    40    43    49   0.20000  1.0 3.0
   33    40    43    52   0.56750  1.0 1.0
   33    40    43    52  -0.07550 -1.0 2.0
   33    40    43    52   0.20000  1.0 3.0
   33    40    43    56   0.56750  1.0 1.0
   33    40    43    56  -0.07550 -1.0 2.0
   33    40    43    56   0.20000  1.0 3.0
   33    40    67    62   0.56750  1.0 1.0
   33    40    67    62  -0.07550 -1.0 2.0
   33    40    67    62   0.20000  1.0 3.0
   33    40   -67    44   0.02550  1.0 1.0
   33    40   -67    44  -0.02600 -1.0 2.0
   33    40   -67    44   1.20400  1.0 3.0
   33    40    67    68   0.56750  1.0 1.0
   33    40    67    68  -0.07550 -1.0 2.0
   33    40    67    68   0.20000  1.0 3.0
   33    40   -44    67   0.06250  1.0 1.0
   33    40   -44    67  -0.01100 -1.0 2.0
   33    40   -44    67   0.28050  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    67   0.15000  1.0 3.0
   34    33    40    44   0.23400  1.0 3.0
   38    33    40    43   0.34400  1.0 1.0
   38    33    40    43   0.09450 -1.0 2.0
   38    33    40    43   0.11100  1.0 3.0
   38    33    40    67   0.34400  1.0 1.0
   38    33    40    67   0.09450 -1.0 2.0
   38    33    40    67   0.11100  1.0 3.0
   38    33    40    44   0.61850  1.0 1.0
   38    33    40    44  -0.22750 -1.0 2.0
   38    33    40    44   0.15300  1.0 3.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.00000  1.0 1.0
   38    41    45    48   0.00000  1.0 1.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    48   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    51   0.15000  1.0 3.0
   40    43    49    60   0.47050  1.0 1.0
   40    43    49    60   0.03900 -1.0 2.0
   40    43    49    60   0.20100  1.0 3.0
   40    43    52    53   0.15000  1.0 3.0
   40    43    52    54   0.15000  1.0 3.0
   40    43    52    55   0.15000  1.0 3.0
   40    43    56    57   0.15000  1.0 3.0
   40    43    56    58   0.15000  1.0 3.0
   40    43    56    59   0.15000  1.0 3.0
   40    67    68    69   0.15000  1.0 3.0
   40    67    68    70   0.15000  1.0 3.0
   40    67    68    71   0.15000  1.0 3.0
   43    40    67    62   0.56750  1.0 1.0
   43    40    67    62  -0.07550 -1.0 2.0
   43    40    67    62   0.20000  1.0 3.0
   43    40   -67    44   0.02550  1.0 1.0
   43    40   -67    44  -0.02600 -1.0 2.0
   43    40   -67    44   1.20400  1.0 3.0
   43    40    67    68   0.56750  1.0 1.0
   43    40    67    68  -0.07550 -1.0 2.0
   43    40    67    68   0.20000  1.0 3.0
   43    40   -44    67   0.06250  1.0 1.0
   43    40   -44    67  -0.01100 -1.0 2.0
   43    40   -44    67   0.28050  1.0 3.0
   43    49    60    61   0.15000  1.0 3.0
   43    49   -60    62   0.56750  1.0 1.0
   43    49   -60    62  -0.07550 -1.0 2.0
   43    49   -60    62   0.20000  1.0 3.0
   43    49    60    65   0.86500  1.0 1.0
   43    49    60    65  -0.17500 -1.0 2.0
   43    49    60    65   0.20800  1.0 3.0
   49    43    52    53   0.15000  1.0 3.0
   49    43    52    54   0.15000  1.0 3.0
   49    43    52    55   0.15000  1.0 3.0
   49    43    56    57   0.15000  1.0 3.0
   49    43    56    58   0.15000  1.0 3.0
   49    43    56    59   0.15000  1.0 3.0
   49    60    62    63   0.15000  1.0 3.0
   49    60    62    64   0.15000  1.0 3.0
   49    60    62    67   0.47050  1.0 1.0
   49    60    62    67   0.03900 -1.0 2.0
   49    60    62    67   0.20100  1.0 3.0
   49    60    65    66  -0.11600  1.0 1.0
   49    60    65    66  -0.09450 -1.0 2.0
   49    60    65    66   0.21250  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   50    49    60    65   0.23400  1.0 3.0
   51    49    60    61   0.15000  1.0 3.0
   51    49    60    62   0.15000  1.0 3.0
   51    49    60    65   0.23400  1.0 3.0
   60    62   -67    40   0.07850  1.0 1.0
   60    62   -67    40  -0.03950 -1.0 2.0
   60    62   -67    40   0.67350  1.0 3.0
   60    62    67    44   0.02550  1.0 1.0
   60    62    67    44  -0.02600 -1.0 2.0
   60    62    67    44   1.20400  1.0 3.0
   60    62    67    68   0.56750  1.0 1.0
   60    62    67    68  -0.07550 -1.0 2.0
   60    62    67    68   0.20000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    67   0.15000  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66  -0.11600  1.0 1.0
   62    60    65    66  -0.09450 -1.0 2.0
   62    60    65    66   0.21250  1.0 3.0
   62    67   -44    40   0.06250  1.0 1.0
   62    67   -44    40  -0.01100 -1.0 2.0
   62    67   -44    40   0.28050  1.0 3.0
   62    67    68    69   0.15000  1.0 3.0
   62    67    68    70   0.15000  1.0 3.0
   62    67    68    71   0.15000  1.0 3.0
   63    62    67    40   0.15000  1.0 3.0
   63    62    67    44   0.23400  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   64    62    67    40   0.15000  1.0 3.0
   64    62    67    44   0.23400  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   67    40   -43    49   0.07850  1.0 1.0
   67    40   -43    49  -0.03950 -1.0 2.0
   67    40   -43    49   0.67350  1.0 3.0
   67    40    43    52   0.07850  1.0 1.0
   67    40    43    52  -0.03950 -1.0 2.0
   67    40    43    52   0.67350  1.0 3.0
   67    40    43    56   0.07850  1.0 1.0
   67    40    43    56  -0.03950 -1.0 2.0
   67    40    43    56   0.67350  1.0 3.0
   44    40    43    49   0.02550  1.0 1.0
   44    40    43    49  -0.02600 -1.0 2.0
   44    40    43    49   1.20400  1.0 3.0
   44    40    43    52   0.02550  1.0 1.0
   44    40    43    52  -0.02600 -1.0 2.0
   44    40    43    52   1.20400  1.0 3.0
   44    40    43    56   0.02550  1.0 1.0
   44    40    43    56  -0.02600 -1.0 2.0
   44    40    43    56   1.20400  1.0 3.0
   44    40   -67    62   0.02550  1.0 1.0
   44    40   -67    62  -0.02600 -1.0 2.0
   44    40   -67    62   1.20400  1.0 3.0
   44    40   -67    68   0.02550  1.0 1.0
   44    40   -67    68  -0.02600 -1.0 2.0
   44    40   -67    68   1.20400  1.0 3.0
   44    67    68    69   0.23400  1.0 3.0
   44    67    68    70   0.23400  1.0 3.0
   44    67    68    71   0.23400  1.0 3.0
   68    67   -44    40   0.06250  1.0 1.0
   68    67   -44    40  -0.01100 -1.0 2.0
   68    67   -44    40   0.28050  1.0 3.0
   65    60    62    63   0.23400  1.0 3.0
   65    60    62    64   0.23400  1.0 3.0
   65    60    62    67   0.86500  1.0 1.0
   65    60    62    67  -0.17500 -1.0 2.0
   65    60    62    67   0.20800  1.0 3.0
   52    43    49    50   0.15000  1.0 3.0
   52    43    49    51   0.15000  1.0 3.0
   52    43    49    60   0.56750  1.0 1.0
   52    43    49    60  -0.07550 -1.0 2.0
   52    43    49    60   0.20000  1.0 3.0
   52    43    56    57   0.15000  1.0 3.0
   52    43    56    58   0.15000  1.0 3.0
   52    43    56    59   0.15000  1.0 3.0
   56    43    49    50   0.15000  1.0 3.0
   56    43    49    51   0.15000  1.0 3.0
   56    43    49    60   0.56750  1.0 1.0
   56    43    49    60  -0.07550 -1.0 2.0
   56    43    49    60   0.20000  1.0 3.0
   56    43    52    53   0.15000  1.0 3.0
   56    43    52    54   0.15000  1.0 3.0
   56    43    52    55   0.15000  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    41  15.00000 -1.0 2.0
   45    42    41    38  15.00000 -1.0 2.0
END
