* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    160    254     474
    1     0 S   NP   _N1_     1    29.08573    93.90963   -20.05670
    2     1 S   H    _HN1     2     1.02785    76.54590   -89.80385
    3     1 S   H    _H1_     3     1.02958   101.21357    16.52916
    4     1 S   H    _H2_     4     1.02841    36.00392   120.29901
    5     1 S   CT   _CA1     5     1.50108   141.31238   161.40308
    6     5 S   HC   _HA1     6     1.09565   105.32899    35.06435
    7     5 S   CO3  _C1_     7     1.53918   112.04762   -85.35556
    8     7 S   O2Z  _O11     8     1.26373   115.05706   -50.30350
    9     7 S   O2Z  _O12     9     1.26228   114.86268   128.69300
   10     5 S   CT   _CB1    10     1.53052   107.41736   153.05452
   11    10 S   HC   HB11    11     1.09821   109.73476   -48.95476
   12    10 S   HC   HB12    12     1.09840   110.21903    67.61424
   13    10 S   CT   _CG1    13     1.53063   112.61038  -170.01213
   14    13 S   HC   HG11    14     1.09482   110.34723   -53.93574
   15    13 S   HC   HG12    15     1.09589   110.31762    65.23510
   16    13 S   C    _CD1    16     1.51726   111.62459  -174.49637
   17    16 S   O    _OE1    17     1.22784   122.93619   -17.97864
   18    16 S   N    _N2_    18     1.38589   112.01527   162.26435
   19    18 S   H    _HN2    19     1.01590   119.33258     2.75762
   20    18 S   CT1  _CA2    20     1.46227   123.02444  -173.54727
   21    20 S   HC   _HA2    21     1.09727   109.28574   -10.53814
   22    20 S   C    _C2_    22     1.53307   109.08412  -126.61128
   23    22 S   O    _O2_    23     1.23035   122.10093  -148.57425
   24    20 S   CT   _CB2    32     1.53565   111.14759   110.86338
   25    24 S   HC   HB21    33     1.09432   109.55185    62.10783
   26    24 S   HC   HB22    34     1.09534   110.44230  -179.77971
   27    22 S   N    _N3_    24     1.38475   113.48723    38.99787
   28    27 S   H    _HN3    25     1.01524   118.85626    -0.85203
   29    24 S   S    _SG2    35     1.83155   111.35799   -60.20159
   30    27 S   CT   _CA3    26     1.45441   123.45895   175.08382
   31    30 S   HC   HA31    27     1.09524   109.23156    24.51146
   32    30 S   HC   HA32    28     1.09496   107.12585   141.49903
   33    29 S   CT   _C21    36     1.83876   100.85419   157.99322
   34    33 S   HC   _H6_    37     1.10067    98.71930    39.44744
   35    30 S   CO3  _C3_    29     1.52920   113.11166   -98.97053
   36    35 S   O2Z  _O31    30     1.26403   115.39759   -45.13113
   37    35 S   O2Z  _O32    31     1.26356   114.99491   135.81893
   38    33 S   CM   _C20    38     1.51723   116.05050   -71.10998
   39    38 S   CMA  _C19    39     1.35751   120.90743   178.02048
   40    39 S   OM   _O36    40     1.26420   130.44222  -173.25128
   41    38 S   OS   _O35    79     1.38900   117.42245     6.43050
   42    39 S   CT   _C18    41     1.53176   119.42422     7.59006
   43    42 S   HC   _H22    42     1.09812   107.69097   123.09101
   44    42 S   HC   _H23    43     1.10130   109.46950  -122.87422
   45    41 S   CT   _C22    80     1.42644   111.99638  -104.80243
   46    45 S   HC   _H24    81     1.09398   107.70572  -168.96269
   47    45 S   HC   _H25    82     1.09241   110.56950    73.47506
   48    45 S   HC   _H26    83     1.09457   112.62248   -50.12314
   49    42 S   CT   _C17    44     1.55578   117.34324    -1.14329
   50    49 S   HC   _H5_    45     1.10193   105.76150   -88.53020
   51    49 S   CT   _C16    46     1.52958   112.32638   155.49192
   52    51 S   HC   _H4_    47     1.09682   110.17371    57.17489
   53    33 S   CT   _C7_    59     1.58705   118.58671   151.79055
   54    51 S   CT   _C15    48     1.52845   111.44613   -65.10954
   55    54 S   HC   _H20    49     1.09496   111.33254  -156.72762
   56    54 S   HC   _H21    50     1.09845   107.96730    87.61036
   57    53 S   CT   _C6_    60     1.55737   110.60327   -42.03701
   58    57 S   HC   _H12    61     1.09698   110.80122    73.72781
   59    57 S   HC   _H13    62     1.09878   109.16213   -43.18687
   60    51 S   NP   _N4_    66     1.52956   107.61806   171.25816
   61    60 S   H    _H3_    67     1.02936   105.16426   -55.24396
   62    54 S   CA   _C9_    51     1.51427   115.19504   -31.96939
   63    57 S   CT   _C5_    63     1.52555   114.49856  -163.91884
   64    63 S   HC   _H10    64     1.09573   110.02287   168.37630
   65    63 S   HC   _H11    65     1.09421   112.95625   -70.47732
   66    60 S   CT   _C4_    68     1.50580   114.00294  -168.88786
   67    66 S   HC   _H7_    69     1.09190   109.33089   -73.59165
   68    66 S   HC   _H8_    70     1.09281   108.30715    47.88422
   69    66 S   HC   _H9_    71     1.09351   107.67838   166.52734
   70    62 S   CA   _C10    52     1.40920   115.73159  -179.80617
   71    70 S   HA   _H14    53     1.08850   119.93954    -1.60498
   72    70 S   CA   _C11    54     1.38922   121.38713   178.11093
   73    72 S   HA   _H15    55     1.08460   118.32040  -179.97202
   74    72 S   CA   _C12    56     1.38688   119.23587    -1.63590
   75    74 S   CA   _C13    57     1.41031   119.47932     1.23670
   76    74 S   OS   _O34    74     1.37269   125.11580  -177.53923
   77    62 S   CA   _C8_    58     1.42000   123.49984    -0.07133
   78    75 S   OH   _O33    72     1.36633   116.68687  -175.13872
   79    78 S   HO   _H16    73     0.97413   108.16105    -6.13520
   80    76 S   CT   _C14    75     1.42235   117.01734    -8.48186
   81    80 S   HC   _H17    76     1.09429   107.73701  -175.51528
   82    80 S   HC   _H18    77     1.09477   110.98423    66.82355
   83    80 S   HC   _H19    78     1.09510   111.28528   -57.67189
  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
  18   7   2   1   1  14  10   5   6  11   5   4   3   2   1   1
  17   7  18   9  14  12   5   4  11   6   5   9   7   8   7   2
   1   3   2   1   1   7   4   7   3   9   5   6   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    77    53    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    49    50    51    62    75    77    53    57    58    59    63    41    45  
   38    39    49    77    53    57    41  
   36    37  
   37  
    0  
   39    40    42    43    44    49    77    53    57    41    45    46    47    48  
   40    42    43    44    49    50    51    53    41    45  
   42    43    44    49    41  
   45    46    47    48    42    53  
   43    44    49    50    51    52    54    77    53    57    60  
   44    49    50    51    53  
   49    50    51    53  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    54    55    56    62    75    77    53    57    58    59    63    60    61    66  
   51    52    54    77    53    57    60  
   52    54    55    56    62    70    77    53    57    63    64    65    60    61    66    67    68    69  
   54    55    56    62    53    63    60    61    66  
   57    58    59    63    64    65    60    78    54    62    70    74    75    77  
   55    56    62    70    71    72    75    77    63    60    61    66  
   56    62    70    77    60  
   62    70    77    60  
   58    59    63    64    65    60    61    66    62    75    77  
   59    63    64    65    60    77  
   63    64    65    60    77  
   61    66    67    68    69    62    63    64    65  
   66    67    68    69    63    64    65  
   70    71    72    73    74    75    77    78  
   64    65    66    67    68    69    77  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    77    76  
   72    73    74    77  
   73    74    75    77    78    76    80  
   74    75    76  
   75    77    78    79    76    80    81    82    83  
   77    78    79    76    80  
   80    81    82    83    77    78  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   61   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   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    53   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    60   367.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   317.000  1.510
   62    70   469.000  1.400
   62    77   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    77   469.000  1.400
   75    78   450.000  1.364
   77    53   317.000  1.510
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    60   367.000  1.471
   60    61   434.000  1.010
   60    66   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   78    79   553.000  0.945
   76    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   41    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    53    49    58.35000  112.70000
   33    53    77    70.00000  112.17500
   33    53    57    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    45    90.00000  111.18400
   39    42    43    45.00000  110.52000
   39    42    44    45.00000  110.52000
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    49    50    37.50000  110.70000
   42    49    51    58.35000  112.70000
   42    49    53    58.35000  112.70000
   44    42    43    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    44    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    51    60    80.00000  111.20000
   49    53    77    70.00000  112.17500
   49    53    57    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    62    70.00000  112.17500
   51    60    63    75.00000  113.01200
   51    60    61    35.00000  109.50000
   51    60    66    75.00000  113.01200
   54    51    52    37.50000  110.70000
   54    62    70    70.00000  120.00000
   54    62    77    70.00000  120.00000
   56    54    55    33.00000  107.80000
   62    54    55    35.00000  109.50000
   62    54    56    35.00000  109.50000
   62    70    71    35.00000  120.00000
   62    70    72    63.00000  120.00000
   62    77    75    63.00000  120.00000
   62    77    53    70.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    76    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    77    63.00000  120.00000
   74    75    78    70.00000  120.00000
   74    76    80    75.00000  111.00000
   75    77    53    70.00000  120.00000
   75    78    79    35.00000  113.00000
   77    62    70    63.00000  120.00000
   77    53    57    70.00000  112.17500
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    63    58.35000  112.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    60    80.00000  111.20000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    60    61    35.00000  109.50000
   63    60    66    75.00000  113.01200
   65    63    64    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    54    80.00000  111.20000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    35.00000  109.50000
   66    60    61    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   78    75    77    70.00000  120.00000
   76    74    75    70.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    77   0.56750  1.0 1.0
   29    33    53    77  -0.07550 -1.0 2.0
   29    33    53    77   0.20000  1.0 3.0
   29    33    53    57   0.44750  1.0 1.0
   29    33    53    57  -0.17800 -1.0 2.0
   29    33    53    57   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    45   2.00000 -1.0 2.0
   33    53    57    58   0.15000  1.0 3.0
   33    53    57    59   0.15000  1.0 3.0
   33    53    57    63   0.56750  1.0 1.0
   33    53    57    63  -0.07550 -1.0 2.0
   33    53    57    63   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    53    49   0.15000  1.0 3.0
   34    33    53    77   0.43200  1.0 3.0
   34    33    53    57   0.15000  1.0 3.0
   38    33    53    49   0.34400  1.0 1.0
   38    33    53    49   0.09450 -1.0 2.0
   38    33    53    49   0.11100  1.0 3.0
   38    33    53    77   0.21200  1.0 1.0
   38    33    53    77   0.16900 -1.0 2.0
   38    33    53    77  -1.15100  1.0 3.0
   38    33    53    57   0.34400  1.0 1.0
   38    33    53    57   0.09450 -1.0 2.0
   38    33    53    57   0.11100  1.0 3.0
   38    39    42    43   0.00000  1.0 1.0
   38    39    42    44   0.00000  1.0 1.0
   38    39   -42    49   0.09850  1.0 1.0
   38    39   -42    49   0.15250 -1.0 2.0
   38    39   -42    49  -0.50650  1.0 3.0
   38    41    45    46   0.08050  1.0 3.0
   38    41    45    47   0.08050  1.0 3.0
   38    41    45    48   0.08050  1.0 3.0
   39    38    41    45  -2.26850  1.0 1.0
   39    38    41    45   3.39050 -1.0 2.0
   39    42    49    50   0.15000  1.0 3.0
   39    42    49    51   0.34400  1.0 1.0
   39    42    49    51   0.09450 -1.0 2.0
   39    42    49    51   0.11100  1.0 3.0
   39    42    49    53   0.34400  1.0 1.0
   39    42    49    53   0.09450 -1.0 2.0
   39    42    49    53   0.11100  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    49   0.09700  1.0 1.0
   40    39    42    49   0.15600 -1.0 2.0
   40    39    42    49  -0.50800  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    54   0.56750  1.0 1.0
   42    49    51    54  -0.07550 -1.0 2.0
   42    49    51    54   0.20000  1.0 3.0
   42    49    51    60   1.36600  1.0 1.0
   42    49    51    60  -0.11450 -1.0 2.0
   42    49    51    60   0.24250  1.0 3.0
   42    49   -53    33   0.56750  1.0 1.0
   42    49   -53    33  -0.07550 -1.0 2.0
   42    49   -53    33   0.20000  1.0 3.0
   42    49    53    77  -0.03700  1.0 1.0
   42    49    53    77   0.37200 -1.0 2.0
   42    49    53    77  -0.47300  1.0 3.0
   42    49    53    57   0.56750  1.0 1.0
   42    49    53    57  -0.07550 -1.0 2.0
   42    49    53    57   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    53   0.15000  1.0 3.0
   44    42    49    50   0.15000  1.0 3.0
   44    42    49    51   0.15000  1.0 3.0
   44    42    49    53   0.15000  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51    54    62  -0.03700  1.0 1.0
   49    51    54    62   0.37200 -1.0 2.0
   49    51    54    62  -0.47300  1.0 3.0
   49    51    60    63   0.47100  1.0 1.0
   49    51    60    61   0.17350  1.0 3.0
   49    51    60    66   0.47100  1.0 1.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    59   0.15000  1.0 3.0
   49    53   -57    63   0.56750  1.0 1.0
   49    53   -57    63  -0.07550 -1.0 2.0
   49    53   -57    63   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    51    60   0.19200  1.0 3.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    77   0.43200  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   51    49    53    33   0.56750  1.0 1.0
   51    49    53    33  -0.07550 -1.0 2.0
   51    49    53    33   0.20000  1.0 3.0
   51    49    53    77  -0.03700  1.0 1.0
   51    49    53    77   0.37200 -1.0 2.0
   51    49    53    77  -0.47300  1.0 3.0
   51    49    53    57   0.56750  1.0 1.0
   51    49    53    57  -0.07550 -1.0 2.0
   51    49    53    57   0.20000  1.0 3.0
   51    54    62    70   0.04150 -1.0 2.0
   51    54   -62    77   0.04150 -1.0 2.0
   51    60    66    67   0.15000  1.0 3.0
   51    60    66    68   0.15000  1.0 3.0
   51    60    66    69   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    62   0.43200  1.0 3.0
   52    51    60    63   0.15000  1.0 3.0
   52    51    60    61   0.13050  1.0 3.0
   52    51    60    66   0.15000  1.0 3.0
   54    51    60    63   0.47100  1.0 1.0
   54    51    60    61   0.17350  1.0 3.0
   54    51    60    66   0.47100  1.0 1.0
   54    62    70    71   3.62500 -1.0 2.0
   54    62    70    72   3.62500 -1.0 2.0
   54    62    77    75   3.62500 -1.0 2.0
   54    62    77    53   3.62500 -1.0 2.0
   55    54    62    70   0.00000  1.0 1.0
   55    54    62    77   0.00000  1.0 1.0
   56    54    62    70   0.00000  1.0 1.0
   56    54    62    77   0.00000  1.0 1.0
   62    70    72    73   3.62500 -1.0 2.0
   62    70    72    74   3.62500 -1.0 2.0
   62    77    53    33   0.04150 -1.0 2.0
   62    77   -53    49   0.04150 -1.0 2.0
   62    77    53    57   0.04150 -1.0 2.0
   70    62    77    75   3.62500 -1.0 2.0
   70    62    77    53   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    77   3.62500 -1.0 2.0
   72    74    75    78   3.62500 -1.0 2.0
   72    74    76    80   1.63200 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    75   -77    62   3.62500 -1.0 2.0
   74    75    77    53   3.62500 -1.0 2.0
   74    75    78    79   0.84100 -1.0 2.0
   74    76    80    81   0.08050  1.0 3.0
   74    76    80    82   0.08050  1.0 3.0
   74    76    80    83   0.08050  1.0 3.0
   75    74    76    80   1.63200 -1.0 2.0
   75    77    53    33   0.04150 -1.0 2.0
   75    77    53    49   0.04150 -1.0 2.0
   75    77    53    57   0.04150 -1.0 2.0
   77    62    70    71   3.62500 -1.0 2.0
   77    62   -70    72   3.62500 -1.0 2.0
   77    75    78    79   0.84100 -1.0 2.0
   77    53    57    58   0.43200  1.0 3.0
   77    53    57    59   0.43200  1.0 3.0
   77    53    57    63  -0.03700  1.0 1.0
   77    53    57    63   0.37200 -1.0 2.0
   77    53    57    63  -0.47300  1.0 3.0
   53    33   -38    39   0.09850  1.0 1.0
   53    33   -38    39   0.15250 -1.0 2.0
   53    33   -38    39  -0.50650  1.0 3.0
   53    33    38    41   0.09700  1.0 1.0
   53    33    38    41   0.15600 -1.0 2.0
   53    33    38    41  -0.50800  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49   -51    54   0.56750  1.0 1.0
   53    49   -51    54  -0.07550 -1.0 2.0
   53    49   -51    54   0.20000  1.0 3.0
   53    49    51    60   1.36600  1.0 1.0
   53    49    51    60  -0.11450 -1.0 2.0
   53    49    51    60   0.24250  1.0 3.0
   53    57    63    64   0.15000  1.0 3.0
   53    57    63    65   0.15000  1.0 3.0
   53    57   -63    60   1.36600  1.0 1.0
   53    57   -63    60  -0.11450 -1.0 2.0
   53    57   -63    60   0.24250  1.0 3.0
   57    63   -60    51   0.47100  1.0 1.0
   57    63    60    61   0.17350  1.0 3.0
   57    63    60    66   0.47100  1.0 1.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    60   0.19200  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    60   0.19200  1.0 3.0
   63    60    66    67   0.15000  1.0 3.0
   63    60    66    68   0.15000  1.0 3.0
   63    60    66    69   0.15000  1.0 3.0
   64    63    60    51   0.15000  1.0 3.0
   64    63    60    61   0.13050  1.0 3.0
   64    63    60    66   0.15000  1.0 3.0
   65    63    60    51   0.15000  1.0 3.0
   65    63    60    61   0.13050  1.0 3.0
   65    63    60    66   0.15000  1.0 3.0
   60    51    54    55   0.19200  1.0 3.0
   60    51    54    56   0.19200  1.0 3.0
   60    51    54    62   1.24050  1.0 1.0
   60    51    54    62   0.48100 -1.0 2.0
   60    51    54    62   1.08150  1.0 3.0
   61    60    66    67   0.13050  1.0 3.0
   61    60    66    68   0.13050  1.0 3.0
   61    60    66    69   0.13050  1.0 3.0
   78    75    77    62   3.62500 -1.0 2.0
   78    75    77    53   3.62500 -1.0 2.0
   76    74    75    77   3.62500 -1.0 2.0
   76    74    75    78   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
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    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   70    77    62    54   4.00000 -1.0 2.0
   72    71    70    62   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    76    74    72   4.00000 -1.0 2.0
   77    78    75    74   4.00000 -1.0 2.0
   75    53    77    62   4.00000 -1.0 2.0
END
