* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    154    233     452
    1     0 S   NP   _N1_     1    28.49871    94.75743   -21.92236
    2     1 S   H    _HN1     2     1.02949    85.50495    34.92578
    3     1 S   H    _H1_     3     1.02826    30.29236   170.98988
    4     1 S   H    _H2_     4     1.02768    95.91189   -73.13919
    5     1 S   CT   _CA1     5     1.50171   139.84039   151.50838
    6     5 S   HC   _HA1     6     1.09578   105.15591    69.63891
    7     5 S   CO3  _C1_     7     1.53754   112.19981   -50.43511
    8     7 S   O2Z  _O11     8     1.26383   114.99563   -44.81784
    9     7 S   O2Z  _O12     9     1.26178   114.92443   133.83035
   10     5 S   CT   _CB1    10     1.53061   107.36443  -172.50514
   11    10 S   HC   HB11    11     1.09827   109.30456   -49.44922
   12    10 S   HC   HB12    12     1.09809   110.52412    67.16270
   13    10 S   CT   _CG1    13     1.52981   112.59027  -170.43252
   14    13 S   HC   HG11    14     1.09606   110.50477   -65.14849
   15    13 S   HC   HG12    15     1.09634   109.74809    54.07832
   16    13 S   C    _CD1    16     1.51878   112.28606   174.14479
   17    16 S   O    _OE1    17     1.22767   123.17101    -0.51434
   18    16 S   N    _N2_    18     1.38561   111.75497   179.81762
   19    18 S   H    _HN2    19     1.02010   118.64140     2.07811
   20    18 S   CT1  _CA2    20     1.46209   123.47934   179.63523
   21    20 S   HC   _HA2    21     1.09731   109.14103   -16.07198
   22    20 S   C    _C2_    22     1.53571   108.66986  -131.64602
   23    22 S   O    _O2_    23     1.23073   122.12735  -150.74791
   24    20 S   CT   _CB2    32     1.53434   111.82670   106.16985
   25    24 S   HC   HB21    33     1.09259   109.47801    54.53677
   26    24 S   HC   HB22    34     1.09513   110.65280   172.84508
   27    22 S   N    _N3_    24     1.38446   113.62803    36.99857
   28    27 S   H    _HN3    25     1.01527   118.89664    -2.86505
   29    24 S   S    _SG2    35     1.82628   112.51413   -67.57221
   30    27 S   CT   _CA3    26     1.45391   123.35989   175.09460
   31    30 S   HC   HA31    27     1.09541   108.95070    29.25010
   32    30 S   HC   HA32    28     1.09492   107.18303   146.15993
   33    29 S   CT   _C14    36     1.83207    99.28490   161.21446
   34    33 S   HC   _H4_    37     1.09393   109.01524    48.23167
   35    30 S   CO3  _C3_    29     1.52944   113.35431   -94.05563
   36    35 S   O2Z  _O31    30     1.26400   115.56779   -42.75780
   37    35 S   O2Z  _O32    31     1.26398   114.93062   138.20429
   38    33 S   CM   _C15    38     1.49545   108.74087   168.07990
   39    38 S   HC   _H19    39     1.08309   122.62599   -72.88918
   40    38 S   CMA  _C16    40     1.34205   113.66817   107.55253
   41    40 S   OM   _O33    41     1.25601   133.86434   179.08764
   42    40 S   CM   _C12    42     1.47348   108.96592    -0.41259
   43    33 S   CT   _C13    43     1.54554   112.72510   -78.65701
   44    43 S   HC   _H3_    44     1.09623   111.06626    20.75709
   45    42 S   CM   _C11    64     1.34907   127.37319  -164.33528
   46    45 S   HC   _H18    65     1.08871   119.07941    -1.93492
   47    43 S   CT   _C17    45     1.54785   112.53971   143.11870
   48    47 S   HC   _H20    46     1.09640   110.26456   171.37377
   49    47 S   HC   _H21    47     1.09852   110.36046    55.93325
   50    45 S   CM   _C10    66     1.44787   125.87015   176.86781
   51    50 S   HC   _H17    67     1.08517   118.06183    -3.15988
   52    47 S   CM   _C18    48     1.50335   113.52219   -65.19464
   53    52 S   HC   _H22    49     1.08862   115.61202    92.96893
   54    50 S   CM   _C9_    68     1.34164   123.01775   177.54880
   55    54 S   HC   _H16    69     1.08783   119.94981    -1.01201
   56    52 S   CM   _C19    50     1.34177   127.06743   -86.95433
   57    56 S   HC   _H23    51     1.08892   117.33464   179.73533
   58    54 S   CT   _C8_    70     1.50185   123.51256   179.19037
   59    58 S   HC   _H14    71     1.09651   108.51695   117.38094
   60    58 S   HC   _H15    72     1.09665   110.78161     0.26688
   61    56 S   CT   _C20    52     1.50174   127.23834     1.10110
   62    61 S   HC   _H24    53     1.09660   108.31107  -132.81528
   63    61 S   HC   _H25    54     1.09416   111.74199   -15.95716
   64    58 S   CT   _C7_    73     1.52990   111.10797  -121.93518
   65    64 S   HC   _H12    74     1.09746   109.68287   -60.61100
   66    64 S   HC   _H13    75     1.09670   109.78823    56.59409
   67    61 S   CT   _C21    55     1.52894   110.54095   106.55890
   68    67 S   HC   _H26    56     1.09780   110.03504    55.05308
   69    67 S   HC   _H27    57     1.09580   109.20150   -61.79422
   70    64 S   CT   _C6_    76     1.52963   111.32255   177.99231
   71    70 S   HC   _H10    77     1.09694   109.48803   -60.46602
   72    70 S   HC   _H11    78     1.09684   109.62657    56.80870
   73    67 S   CT   _C22    58     1.52420   112.03229   177.12125
   74    73 S   HC   _H28    59     1.09651   109.81556    59.76673
   75    73 S   HC   _H29    60     1.09686   109.51458   -58.04183
   76    70 S   CT   _C5_    79     1.52850   111.35360   178.13764
   77    76 S   HC   _H8_    80     1.09576   109.99398    57.89723
   78    76 S   HC   _H9_    81     1.09624   109.82530   -59.80504
   79    73 S   CO3  _C23    61     1.53274   113.97431  -179.47251
   80    79 S   O2Z  _O35    62     1.26468   114.14188   166.28395
   81    79 S   O2Z  _O34    63     1.26232   116.51638   -13.87469
   82    76 S   CT   _C4_    82     1.52026   111.48140   179.08443
   83    82 S   HC   _H5_    83     1.09468   111.00627    60.14064
   84    82 S   HC   _H6_    84     1.09471   110.98941   -60.38357
   85    82 S   HC   _H7_    85     1.09449   110.26040   179.89347
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1   8   4   8   3  11  10   5   7   3   7   4
   3   7   3   7   3   8   4   8   4   9   5   4   9   5   4   9
   5   4   8   5   4   9   5   4   5   4   3   6   5   4   2   1
   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    49    52    45  
   38    39    40    42    43    44    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    45  
   40    41    42    43  
   41    42    43    44    47    45    46    50  
   42    43    45  
   43    44    47    48    49    52    45    46    50    51    54  
   44    47    48    49    52    53    56    45    46    50  
   47    48    49    52    45  
   46    50    51    54    55    58    47  
   50    51    54  
   48    49    52    53    56    57    61  
   49    52    53    56  
   52    53    56  
   51    54    55    58    59    60    64  
   54    55    58  
   53    56    57    61    62    63    67  
   56    57    61  
   55    58    59    60    64    65    66    70  
   58    59    60    64  
   57    61    62    63    67    68    69    73  
   61    62    63    67  
   59    60    64    65    66    70    71    72    76  
   60    64    65    66    70  
   64    65    66    70  
   62    63    67    68    69    73    74    75    79  
   63    67    68    69    73  
   67    68    69    73  
   65    66    70    71    72    76    77    78    82  
   66    70    71    72    76  
   70    71    72    76  
   68    69    73    74    75    79    80    81  
   69    73    74    75    79  
   73    74    75    79  
   71    72    76    77    78    82    83    84    85  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81  
   75    79    80    81  
   79    80    81  
   77    78    82    83    84    85  
   78    82    83    84    85  
   82    83    84    85  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   317.000  1.510
   42    45   549.000  1.340
   43    44   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   317.000  1.510
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    57   340.000  1.080
   56    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   317.000  1.522
   79    80   656.000  1.250
   79    81   656.000  1.250
   45    46   340.000  1.080
   45    50   380.000  1.444
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    70.00000  112.02700
   33    43    44    37.50000  110.70000
   33    43    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  124.00000
   40    42    45    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    43    44    35.00000  109.50000
   42    43    47    70.00000  112.02700
   42    45    46    35.00000  120.00000
   42    45    50    70.00000  123.01800
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    70.00000  112.02700
   47    43    44    37.50000  110.70000
   47    52    53    35.00000  117.00000
   47    52    56    70.00000  124.00000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    61    70.00000  124.00000
   56    52    53    35.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    67    70.00000  112.02700
   61    56    57    35.00000  117.00000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    73    58.35000  112.70000
   63    61    62    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    70.00000  109.69300
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    79    80    70.00000  117.00000
   73    79    81    70.00000  117.00000
   75    73    74    33.00000  107.80000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   81    79    80    80.00000  126.00000
   45    42    43    70.00000  124.00000
   45    50    51    35.00000  120.00000
   45    50    54    70.00000  123.01800
   50    45    46    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    64    70.00000  112.02700
   58    54    55    35.00000  117.00000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    70    58.35000  112.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    76    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    85    37.50000  110.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    43    42   0.56750  1.0 1.0
   29    33    43    42  -0.07550 -1.0 2.0
   29    33    43    42   0.20000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    47   0.44750  1.0 1.0
   29    33    43    47  -0.17800 -1.0 2.0
   29    33    43    47   0.20200  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    43    47    48   0.15000  1.0 3.0
   33    43    47    49   0.15000  1.0 3.0
   33    43    47    52   0.34400  1.0 1.0
   33    43    47    52   0.09450 -1.0 2.0
   33    43    47    52   0.11100  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    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    47   0.15000  1.0 3.0
   38    33   -43    42   0.31000  1.0 1.0
   38    33   -43    42   0.14700 -1.0 2.0
   38    33   -43    42   0.07550  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    47   0.34400  1.0 1.0
   38    33    43    47   0.09450 -1.0 2.0
   38    33    43    47   0.11100  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    45   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.09850  1.0 1.0
   40    42   -43    33   0.15250 -1.0 2.0
   40    42   -43    33  -0.50650  1.0 3.0
   40    42    43    44   0.00000  1.0 1.0
   40    42    43    47   0.09850  1.0 1.0
   40    42    43    47   0.15250 -1.0 2.0
   40    42    43    47  -0.50650  1.0 3.0
   40    42    45    46   7.00000 -1.0 2.0
   40    42    45    50   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43    47    48   0.15000  1.0 3.0
   42    43    47    49   0.15000  1.0 3.0
   42    43    47    52   0.31000  1.0 1.0
   42    43    47    52   0.14700 -1.0 2.0
   42    43    47    52   0.07550  1.0 3.0
   42    45    50    51  -0.18600  1.0 3.0
   42    45    50    54   0.28850  1.0 1.0
   42    45    50    54   2.61350 -1.0 2.0
   42    45    50    54   0.78400  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    46   7.00000 -1.0 2.0
   43    42    45    50   7.00000 -1.0 2.0
   43    47    52    53   0.00000  1.0 1.0
   43    47    52    56   0.09850  1.0 1.0
   43    47    52    56   0.15250 -1.0 2.0
   43    47    52    56  -0.50650  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   47    52    56    57   7.00000 -1.0 2.0
   47    52    56    61   7.00000 -1.0 2.0
   48    47    52    53   0.33100  1.0 3.0
   48    47    52    56   0.00000  1.0 1.0
   49    47    52    53   0.33100  1.0 3.0
   49    47    52    56   0.00000  1.0 1.0
   52    56    61    62   0.00000  1.0 1.0
   52    56    61    63   0.00000  1.0 1.0
   52    56    61    67   0.09850  1.0 1.0
   52    56    61    67   0.15250 -1.0 2.0
   52    56    61    67  -0.50650  1.0 3.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    61   7.00000 -1.0 2.0
   56    61    67    68   0.15000  1.0 3.0
   56    61    67    69   0.15000  1.0 3.0
   56    61    67    73   0.34400  1.0 1.0
   56    61    67    73   0.09450 -1.0 2.0
   56    61    67    73   0.11100  1.0 3.0
   57    56    61    62   0.33100  1.0 3.0
   57    56    61    63   0.33100  1.0 3.0
   57    56    61    67   0.00000  1.0 1.0
   61    67    73    74   0.15000  1.0 3.0
   61    67    73    75   0.15000  1.0 3.0
   61    67    73    79  -1.63150  1.0 1.0
   61    67    73    79  -0.43550 -1.0 2.0
   61    67    73    79   0.24500  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    73   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    69   0.15000  1.0 3.0
   63    61    67    73   0.15000  1.0 3.0
   67    73    79    80   0.41150 -1.0 2.0
   67    73    79    81   0.41150 -1.0 2.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79  -0.11250  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    79  -0.11250  1.0 3.0
   74    73    79    80   0.00000  1.0 1.0
   74    73    79    81   0.00000  1.0 1.0
   75    73    79    80   0.00000  1.0 1.0
   75    73    79    81   0.00000  1.0 1.0
   45    42    43    33   0.09850  1.0 1.0
   45    42    43    33   0.15250 -1.0 2.0
   45    42    43    33  -0.50650  1.0 3.0
   45    42    43    44   0.00000  1.0 1.0
   45    42    43    47   0.09850  1.0 1.0
   45    42    43    47   0.15250 -1.0 2.0
   45    42    43    47  -0.50650  1.0 3.0
   45    50    54    55   7.00000 -1.0 2.0
   45    50    54    58   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    54  -0.18600  1.0 3.0
   50    54    58    59   0.00000  1.0 1.0
   50    54    58    60   0.00000  1.0 1.0
   50    54    58    64   0.09850  1.0 1.0
   50    54    58    64   0.15250 -1.0 2.0
   50    54    58    64  -0.50650  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    58   7.00000 -1.0 2.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    66   0.15000  1.0 3.0
   54    58    64    70   0.34400  1.0 1.0
   54    58    64    70   0.09450 -1.0 2.0
   54    58    64    70   0.11100  1.0 3.0
   55    54    58    59   0.33100  1.0 3.0
   55    54    58    60   0.33100  1.0 3.0
   55    54    58    64   0.00000  1.0 1.0
   58    64    70    71   0.15000  1.0 3.0
   58    64    70    72   0.15000  1.0 3.0
   58    64    70    76   0.56750  1.0 1.0
   58    64    70    76  -0.07550 -1.0 2.0
   58    64    70    76   0.20000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    70   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    70   0.15000  1.0 3.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    82   0.56750  1.0 1.0
   64    70    76    82  -0.07550 -1.0 2.0
   64    70    76    82   0.20000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    76   0.15000  1.0 3.0
   70    76    82    83   0.15000  1.0 3.0
   70    76    82    84   0.15000  1.0 3.0
   70    76    82    85   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    85   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    85   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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    45   1.10000 -1.0 2.0
   47    53    52    56  15.00000 -1.0 2.0
   61    57    56    52  15.00000 -1.0 2.0
   80    73    79    81  10.50000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   45    51    50    54  15.00000 -1.0 2.0
   58    55    54    50  15.00000 -1.0 2.0
END
