* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    141    205     406
    1     0 S   NP   _N1_     1    28.66697    95.85781   -21.44692
    2     1 S   H    _HN1     2     1.02952    77.58509    -3.81495
    3     1 S   H    _H1_     3     1.02830    39.01481   134.54633
    4     1 S   H    _H2_     4     1.02788    94.06112  -111.75752
    5     1 S   CT   _CA1     5     1.50100   146.96655   104.61839
    6     5 S   HC   _HA1     6     1.09565   105.22719    78.80835
    7     5 S   CO3  _C1_     7     1.53877   112.61906   -41.49642
    8     7 S   O2Z  _O11     8     1.26360   115.02481   -37.85915
    9     7 S   O2Z  _O12     9     1.26289   115.02485   141.49773
   10     5 S   CT   _CB1    10     1.53115   107.44928  -162.98959
   11    10 S   HC   HB11    11     1.09823   109.65697   -47.99402
   12    10 S   HC   HB12    12     1.09814   110.29822    68.73270
   13    10 S   CT   _CG1    13     1.52918   112.46847  -168.90492
   14    13 S   HC   HG11    14     1.09552   110.48380   -63.06772
   15    13 S   HC   HG12    15     1.09654   109.82341    56.20957
   16    13 S   C    _CD1    16     1.51682   112.50629   177.16607
   17    16 S   O    _OE1    17     1.22715   123.29864     7.39812
   18    16 S   N    _N2_    18     1.38676   111.56978  -173.32744
   19    18 S   H    _HN2    19     1.01561   119.09671     3.89616
   20    18 S   CT1  _CA2    20     1.46235   123.41158  -178.24142
   21    20 S   HC   _HA2    21     1.09724   109.18621     6.65113
   22    20 S   C    _C2_    22     1.53549   109.35788  -109.32882
   23    22 S   O    _O2_    23     1.23086   122.10977  -151.56220
   24    20 S   CT   _CB2    32     1.53444   111.28821   128.24126
   25    24 S   HC   HB21    33     1.09520   109.48608    60.66205
   26    24 S   HC   HB22    34     1.09519   110.32618   179.48833
   27    22 S   N    _N3_    24     1.38259   113.95952    35.76129
   28    27 S   H    _HN3    25     1.01560   119.58432    -3.18112
   29    24 S   S    _SG2    35     1.82846   111.37168   -60.28887
   30    27 S   CT   _CA3    26     1.45287   123.26709   177.30434
   31    30 S   HC   HA31    27     1.09546   107.48231   -65.63474
   32    30 S   HC   HA32    28     1.09557   108.03219    50.82848
   33    29 S   CT   _C19    36     1.84171    99.92107   179.12464
   34    33 S   HC   _H3_    37     1.09546   104.07956    57.66856
   35    30 S   CO3  _C3_    29     1.52968   114.04699   172.84859
   36    35 S   O2Z  _O31    30     1.26381   116.06133    -0.51700
   37    35 S   O2Z  _O32    31     1.26424   114.41963   179.56121
   38    33 S   CA   _C10    38     1.51883   113.66516   -61.29339
   39    33 S   CM   _C20    77     1.50578   108.34056   174.26390
   40    39 S   HC   _H22    78     1.09084   117.63332    46.16816
   41    38 S   CA   _C9_    39     1.40179   119.14576   131.23779
   42    41 S   HA   _H10    40     1.08874   119.20942    -0.29342
   43    39 S   CMA  _C21    79     1.51652   122.89872  -136.96587
   44    43 S   OM   _O35    80     1.26225   119.32297   178.10462
   45    43 S   OM   _O36    81     1.26206   122.31783    -2.10896
   46    41 S   CA   _C8_    41     1.40290   121.48902   179.13182
   47    46 S   CA   _C13    42     1.40503   118.86433    -0.60458
   48    46 S   CT   _C7_    63     1.51221   118.99725  -178.66441
   49    48 S   HC   _H8_    64     1.09754   109.77707  -144.87787
   50    48 S   HC   _H9_    65     1.09541   109.65767   -31.27290
   51    47 S   CA   _C12    43     1.40601   121.16173     0.39416
   52    47 S   OH   _O33    61     1.37168   116.96434  -179.41650
   53    52 S   HO   _H12    62     0.96900   110.18036   175.84362
   54    48 S   CM   _C6_    66     1.50368   112.37157    93.98707
   55    54 S   HC   _H7_    67     1.08971   114.07589    76.89208
   56    38 S   CA   _C11    44     1.40399   122.45651   -50.63737
   57    56 S   HA   _H11    45     1.08861   119.21987     0.76719
   58    51 S   CT   _C14    46     1.51287   123.31062   178.00688
   59    58 S   HC   _H13    47     1.09713   109.60925    46.12238
   60    58 S   HC   _H14    48     1.09557   110.00229   159.53539
   61    54 S   CM   _C5_    68     1.34695   127.93563  -104.14056
   62    58 S   CM   _C15    49     1.50467   112.45188   -75.54415
   63    62 S   HC   _H15    50     1.08951   114.34935    76.24454
   64    61 S   CT   _C4_    69     1.50565   120.43016  -179.11796
   65    64 S   HC   _H4_    70     1.09497   110.21917   120.75448
   66    64 S   HC   _H5_    71     1.09497   110.26709  -119.42977
   67    64 S   HC   _H6_    72     1.09511   112.42523     0.68386
   68    61 S   CT   _C22    73     1.50274   125.26361     1.77211
   69    68 S   HC   _H23    74     1.09532   110.02490   122.41930
   70    68 S   HC   _H24    75     1.09499   110.05011  -118.30824
   71    68 S   HC   _H25    76     1.09166   113.65679     2.39351
   72    62 S   CM   _C16    51     1.34738   128.08246  -105.35335
   73    72 S   CT   _C17    52     1.50789   120.06955  -179.19594
   74    73 S   HC   _H16    53     1.09474   110.50124   119.07977
   75    73 S   HC   _H17    54     1.09508   110.22308  -120.93566
   76    73 S   HC   _H18    55     1.09519   112.40024    -1.04230
   77    72 S   CT   _C18    56     1.50403   125.19648     2.38917
   78    77 S   HC   _H19    57     1.09170   113.67697     5.65770
   79    77 S   HC   _H20    58     1.09484   109.42443   125.81675
   80    77 S   OH   _O34    59     1.42082   109.13847  -115.35650
   81    80 S   HO   _H21    60     0.97653   107.02767  -168.49604
  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   8   5   4   3
  13   6   2   1   1  12   6   3  11   4   2   1   1  12  13   9
   4   3  10   3   1  10   3   5   1   7   4   3   8  10   3   7
   3   2   1   3   2   1   1   9   7   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    51    56    57    39    40    43    44    45  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    51    56    57    58    48    39    40    43  
   40    43    44    45    41    56  
   43    44    45  
   42    46    47    51    56    57    52    48    49    50    54  
   46    47    56    48  
   44    45  
   45  
    0  
   47    51    56    58    52    53    48    49    50    54    55    61  
   51    56    57    58    59    60    62    52    53    48    49    50    54  
   49    50    54    55    61    64    68    51    52  
   50    54    55    61  
   54    55    61  
   56    57    58    59    60    62    63    72    52    53  
   53    56    58  
    0  
   55    61    64    65    66    67    68    69    70    71  
   61    64    68  
   57    58    59    60    62  
   58  
   59    60    62    63    72    73    77  
   60    62    63    72  
   62    63    72  
   64    65    66    67    68    69    70    71  
   63    72    73    74    75    76    77    78    79    80  
   72    73    77  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.005000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    39   317.000  1.510
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   469.000  1.400
   46    48   317.000  1.510
   47    51   469.000  1.400
   47    52   450.000  1.364
   51    56   469.000  1.400
   51    58   317.000  1.510
   56    57   367.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   317.000  1.510
   62    63   340.000  1.080
   62    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   320.000  1.410
   80    81   553.000  0.945
   52    53   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    55   340.000  1.080
   54    61   549.000  1.340
   61    64   317.000  1.510
   61    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    46    47    63.00000  120.00000
   41    46    48    70.00000  120.00000
   46    41    42    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    47    52    70.00000  120.00000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    54    70.00000  112.99600
   47    51    56    63.00000  120.00000
   47    51    58    70.00000  120.00000
   47    52    53    35.00000  113.00000
   51    56    57    35.00000  120.00000
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    62    70.00000  112.99600
   56    38    41    63.00000  120.00000
   58    51    56    70.00000  120.00000
   58    62    63    35.00000  117.00000
   58    62    72    70.00000  124.00000
   60    58    59    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    35.00000  109.50000
   62    72    73    70.00000  124.00000
   62    72    77    70.00000  124.00000
   72    62    63    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    90.00000  110.39200
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   77    80    81    55.00000  108.50000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   52    47    51    70.00000  120.00000
   48    46    47    70.00000  120.00000
   48    54    55    35.00000  117.00000
   48    54    61    70.00000  124.00000
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    61    64    70.00000  124.00000
   54    61    68    70.00000  124.00000
   61    54    55    35.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    61    64    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    46   -47    51   3.62500 -1.0 2.0
   41    46    47    52   3.62500 -1.0 2.0
   41    46    48    49   0.00000  1.0 1.0
   41    46    48    50   0.00000  1.0 1.0
   41    46    48    54   0.18050 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    48   3.62500 -1.0 2.0
   46    47    51    56   3.62500 -1.0 2.0
   46    47    51    58   3.62500 -1.0 2.0
   46    47    52    53   0.84100 -1.0 2.0
   46    48    54    55   0.00000  1.0 1.0
   46    48    54    61   1.44450  1.0 1.0
   46    48    54    61   0.06600 -1.0 2.0
   46    48    54    61   0.29250  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    54   0.18050 -1.0 2.0
   47    51   -56    38   3.62500 -1.0 2.0
   47    51    56    57   3.62500 -1.0 2.0
   47    51    58    59   0.00000  1.0 1.0
   47    51    58    60   0.00000  1.0 1.0
   47    51    58    62   0.18050 -1.0 2.0
   51    47    52    53   0.84100 -1.0 2.0
   51    58    62    63   0.00000  1.0 1.0
   51    58    62    72   1.44450  1.0 1.0
   51    58    62    72   0.06600 -1.0 2.0
   51    58    62    72   0.29250  1.0 3.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    46   3.62500 -1.0 2.0
   56    51    58    59   0.00000  1.0 1.0
   56    51    58    60   0.00000  1.0 1.0
   56    51    58    62   0.18050 -1.0 2.0
   58    51    56    38   3.62500 -1.0 2.0
   58    51    56    57   3.62500 -1.0 2.0
   58    62    72    73   7.00000 -1.0 2.0
   58    62    72    77   7.00000 -1.0 2.0
   59    58    62    63   0.33100  1.0 3.0
   59    58    62    72   0.00000  1.0 1.0
   60    58    62    63   0.33100  1.0 3.0
   60    58    62    72   0.00000  1.0 1.0
   62    72    73    74   0.00000  1.0 1.0
   62    72    73    75   0.00000  1.0 1.0
   62    72    73    76   0.00000  1.0 1.0
   62    72    77    78   0.00000  1.0 1.0
   62    72    77    79   0.00000  1.0 1.0
   62    72    77    80   0.67800  1.0 1.0
   62    72    77    80   0.47050 -1.0 2.0
   62    72    77    80  -0.62500  1.0 3.0
   63    62    72    73   7.00000 -1.0 2.0
   63    62    72    77   7.00000 -1.0 2.0
   72    77    80    81  -0.07800  1.0 1.0
   72    77    80    81  -0.21500 -1.0 2.0
   72    77    80    81  -0.03150  1.0 3.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.18000  1.0 1.0
   73    72    77    80   0.16450 -1.0 2.0
   73    72    77    80   0.04450  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   52    47    51    56   3.62500 -1.0 2.0
   52    47    51    58   3.62500 -1.0 2.0
   48    46    47    51   3.62500 -1.0 2.0
   48    46    47    52   3.62500 -1.0 2.0
   48    54    61    64   7.00000 -1.0 2.0
   48    54    61    68   7.00000 -1.0 2.0
   49    48    54    55   0.33100  1.0 3.0
   49    48    54    61   0.00000  1.0 1.0
   50    48    54    55   0.33100  1.0 3.0
   50    48    54    61   0.00000  1.0 1.0
   54    61    64    65   0.00000  1.0 1.0
   54    61    64    66   0.00000  1.0 1.0
   54    61    64    67   0.00000  1.0 1.0
   54    61    68    69   0.00000  1.0 1.0
   54    61    68    70   0.00000  1.0 1.0
   54    61    68    71   0.00000  1.0 1.0
   55    54    61    64   7.00000 -1.0 2.0
   55    54    61    68   7.00000 -1.0 2.0
   64    61    68    69   0.34800  1.0 3.0
   64    61    68    70   0.34800  1.0 3.0
   64    61    68    71   0.34800  1.0 3.0
   68    61    64    65   0.34800  1.0 3.0
   68    61    64    66   0.34800  1.0 3.0
   68    61    64    67   0.34800  1.0 3.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   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
   41    56    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    48    46    41   4.00000 -1.0 2.0
   51    52    47    46   4.00000 -1.0 2.0
   56    58    51    47   4.00000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   58    63    62    72  15.00000 -1.0 2.0
   73    77    72    62  15.00000 -1.0 2.0
   48    55    54    61  15.00000 -1.0 2.0
   64    68    61    54  15.00000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
