* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    192    324     590
    1     0 S   NP   _N1_     1    28.74055    96.35467   -21.49525
    2     1 S   H    _HN1     2     1.02963    81.21141    39.92995
    3     1 S   H    _H1_     3     1.02835    39.19255   171.09102
    4     1 S   H    _H2_     4     1.02777    89.26418   -68.75005
    5     1 S   CT   _CA1     5     1.50093   149.20211   155.33089
    6     5 S   HC   _HA1     6     1.09575   105.24935    69.61006
    7     5 S   CO3  _C1_     7     1.53696   112.49330   -50.64047
    8     7 S   O2Z  _O11     8     1.26346   114.89685   -42.79499
    9     7 S   O2Z  _O12     9     1.26251   114.83549   136.40501
   10     5 S   CT   _CB1    10     1.53048   107.46429  -172.45298
   11    10 S   HC   HB11    11     1.09821   109.18332   -51.73896
   12    10 S   HC   HB12    12     1.09825   110.47849    64.77903
   13    10 S   CT   _CG1    13     1.52996   112.69805  -172.91889
   14    13 S   HC   HG11    14     1.09617   110.41868   -65.81486
   15    13 S   HC   HG12    15     1.09652   110.03147    53.46247
   16    13 S   C    _CD1    16     1.51761   112.26946   173.71322
   17    16 S   O    _OE1    17     1.22717   123.27768    -2.17888
   18    16 S   N    _N2_    18     1.38600   111.62113   178.02078
   19    18 S   H    _HN2    19     1.01598   119.02663     0.75744
   20    18 S   CT1  _CA2    20     1.46231   123.33477  -179.81233
   21    20 S   HC   _HA2    21     1.09736   109.40105   -13.09734
   22    20 S   C    _C2_    22     1.53434   108.29550  -128.76115
   23    22 S   O    _O2_    23     1.23012   122.22659  -145.92744
   24    20 S   CT   _CB2    32     1.53467   111.33404   109.08931
   25    24 S   HC   HB21    33     1.09320   109.20554    55.57997
   26    24 S   HC   HB22    34     1.09485   110.14000   174.09090
   27    22 S   N    _N3_    24     1.38506   113.36312    41.41959
   28    27 S   H    _HN3    25     1.01528   118.91707    -0.62963
   29    24 S   S    _SG2    35     1.82951   111.33466   -66.89933
   30    27 S   CT   _CA3    26     1.45458   123.51066   175.14877
   31    30 S   HC   HA31    27     1.09518   109.30994    22.80228
   32    30 S   HC   HA32    28     1.09497   107.09873   139.82326
   33    29 S   CT   _C17    36     1.87841   102.62001   155.85933
   34    30 S   CO3  _C3_    29     1.52925   113.08232  -100.72532
   35    34 S   O2Z  _O31    30     1.26406   115.39931   -44.28640
   36    34 S   O2Z  _O32    31     1.26353   114.98407   136.63275
   37    33 S   CO4  _C16    37     1.54072   105.34018   -66.50036
   38    37 S   O    _O35    38     1.22977   122.01626   100.30497
   39    33 S   CT   _C18    87     1.55316   110.77357    53.69228
   40    39 S   HC   _H7_    88     1.09450   111.65011   -48.17199
   41    37 S   CA   _C14    39     1.49292   118.79369   -78.38943
   42    39 S   OH   _O41    89     1.43116   110.65915  -164.50630
   43    42 S   HO   _H29    90     0.97397   107.52198    69.90100
   44    41 S   CA   _C13    40     1.39836   119.61139   -11.16722
   45    44 S   CA   _C12    41     1.39779   120.40421   178.99031
   46    45 S   HA   _H15    42     1.08738   121.17049   179.89721
   47    44 S   CO4  _C27    69     1.48029   121.02838    -1.98633
   48    47 S   O    _O37    70     1.22536   119.73790   163.57995
   49    45 S   CA   _C11    43     1.39440   120.18314     1.02527
   50    49 S   HA   _H14    44     1.08762   118.31267   178.97035
   51    33 S   CT   _C26    71     1.55896   111.84032   176.60166
   52    51 S   HC   _H8_    72     1.10038   107.87958   169.80611
   53    49 S   CA   _C10    45     1.40181   120.92875    -0.80113
   54    51 S   CT   _C25    73     1.56015   114.38218   -71.18676
   55    41 S   CA   _C15    46     1.40888   121.51410   168.28612
   56    53 S   CT   _C9_    49     1.52163   120.91468   178.59097
   57    56 S   HC   _H6_    50     1.09802   108.17495   137.84607
   58    54 S   CO4  _C24    74     1.53887   112.84902  -176.11335
   59    58 S   O    _O36    75     1.23248   122.27413  -108.60108
   60    54 S   OH   _O38    99     1.42916   109.79165    65.32239
   61    60 S   HO   _H23   100     0.97398   107.72878    64.40273
   62    55 S   OH   _O34    47     1.37316   122.03232     0.00000
   63    62 S   HO   _H16    48     0.97317   109.35660     2.26857
   64    56 S   CT   _C8_    51     1.53177   110.93808  -100.47813
   65    64 S   HC   _H12    52     1.09659   111.76811   -58.18521
   66    64 S   HC   _H13    53     1.09911   110.14644    59.01918
   67    58 S   CT   _C23    76     1.51231   117.38840    69.84502
   68    67 S   HC   _H21    77     1.09674   107.79797   175.66957
   69    67 S   HC   _H22    78     1.09517   108.17994   -68.10256
   70    64 S   CT   _C7_    54     1.52673   110.68633   179.32276
   71    70 S   HC   _H5_    55     1.09677   110.34477    70.10179
   72    67 S   CT   _C22    79     1.52847   110.62158    54.74920
   73    70 S   CT   _C6_    56     1.53135   110.84048   -51.96180
   74    73 S   HC   _H4_    57     1.09709   108.89048   -71.37057
   75    70 S   OH   _O42    67     1.42610   109.32239  -172.36223
   76    75 S   HO   _H30    68     0.97238   107.54349   -59.02949
   77    72 S   CT   _C21    80     1.54065   111.05668   -51.09989
   78    77 S   HC   _H19    81     1.09245   107.50892   -70.44301
   79    77 S   HC   _H20    82     1.09838   108.46670   173.74568
   80    72 S   CT   _C28    93     1.53237   110.10556  -173.18534
   81    80 S   HC   _H24    94     1.09601   110.77755  -177.22695
   82    80 S   HC   _H25    95     1.09493   111.72728    61.69466
   83    80 S   HC   _H26    96     1.09609   110.89379   -59.26982
   84    72 S   OH   _O39    97     1.42871   109.43575    69.36988
   85    84 S   HO   _H27    98     0.97257   108.32724    57.24350
   86    73 S   CT   _C5_    58     1.53399   110.73477    49.99399
   87    86 S   HC   _H3_    59     1.09785   110.40159    66.77617
   88    73 S   OH   _O43    65     1.42694   109.76670   171.83367
   89    88 S   HO   _H31    66     0.97231   107.99769   -60.24072
   90    54 S   CT   _C20    83     1.55148   111.22799   -54.42407
   91    56 S   OS   _O33    60     1.43373   110.64684    20.52219
   92    86 S   CT   _C4_    61     1.52514   111.53297  -173.61131
   93    92 S   HC   _H9_    62     1.09561   110.91415    60.74124
   94    92 S   HC   _H10    63     1.09395   111.67751   -60.74367
   95    92 S   HC   _H11    64     1.09521   110.36257   178.61761
   96    90 S   CT   _C19    84     1.54602   110.70457    51.82392
   97    96 S   HC   _H17    85     1.09854   108.60941  -174.81809
   98    96 S   HC   _H18    86     1.09802   109.06908    71.10547
   99    90 S   OH   _O40    91     1.43920   108.23637   167.52231
  100    99 S   HO   _H28    92     0.97227   108.16833   174.89347
  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  12   5   4   3
  20   2   1   1  15   5  14   7  12   6   1  12   9   4   9   3
   8   3  11   4  11  17   6  13   6  13   6   6   1   1   1  11
   6   5  13   5   4  11   6  12  12   7   3   1  14   6   5   6
   3   2   1   2   1   8   6   3   1   5   4   3   2   1   1   4
   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    51    52    54    96    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    55    47    48    51    52    54    58    90    96    97    98    39    40    42    43    60  
   35    36  
   36  
    0  
   38    41    44    45    53    55    62    47    51    52    54    96    39    40    42  
   41    44    55    51    39  
   40    42    43    99    41    47    51    52    54    77    90    96    97    98  
   42    43    51    90    96    97    98  
   44    45    46    49    53    55    62    63    56    47    48    51  
   43    51    90    96    97    98  
   96  
   45    46    49    50    53    55    62    47    48    51    52    54  
   46    49    50    53    55    56    47    48    51  
   49    50    53    47  
   48    51    52    54    58    90    60    49    55  
   51    52    54  
   50    53    55    62    56    57    64    91  
   53    55    56  
   52    54    58    59    67    77    90    96    99    60    61  
   54    58    90    60  
   55    62    63    56    57    64    65    66    70    86    91  
   58    59    67    68    69    72    77    78    79    90    96    97    98    99   100    60    61  
   62    63    56    57    64    91  
   57    64    65    66    70    71    73    86    87    91    92    75    62  
   64    65    66    70    86    91  
   59    67    68    69    72    77    90    96    99    80    84    60    61  
   67    68    69    72    90    60  
   61    67    77    90    96    99  
   90  
   63  
    0  
   65    66    70    71    73    74    86    91    88    75    76  
   66    70    71    73    91    75  
   70    71    73    91    75  
   68    69    72    77    78    79    90    80    81    82    83    84    85  
   69    72    77    80    84  
   72    77    80    84  
   71    73    74    86    87    91    92    88    89    75    76  
   73    74    86    88    75    76  
   77    78    79    90    96    99    80    81    82    83    84    85  
   74    86    87    91    92    93    94    95    88    89    75    76  
   86    87    91    92    88    89    75  
   76    86    88  
    0  
   78    79    90    96    97    98    99   100    80    81    82    83    84    85  
   79    90    96    99    80    84  
   90    96    99    80    84  
   81    82    83    84    85    90  
   82    83    84  
   83    84  
   84  
   85    90  
    0  
   87    91    92    93    94    95    88    89  
   91    92    93    94    95    88  
   89    91    92  
    0  
   96    97    98    99   100  
   92    93    94    95  
   93    94    95  
   94    95  
   95  
    0  
   97    98    99   100  
   98    99  
   99  
  100  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    55   469.000  1.400
   44    45   469.000  1.400
   44    47   310.000  1.470
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    55   469.000  1.400
   53    56   317.000  1.510
   55    62   450.000  1.364
   62    63   553.000  0.945
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    91   320.000  1.410
   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    73   268.000  1.529
   70    75   320.000  1.410
   73    74   340.000  1.090
   73    86   268.000  1.529
   73    88   320.000  1.410
   86    87   340.000  1.090
   86    91   320.000  1.410
   86    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   88    89   553.000  0.945
   75    76   553.000  0.945
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    54   268.000  1.529
   54    58   317.000  1.522
   54    90   268.000  1.529
   54    60   320.000  1.410
   58    59   570.000  1.229
   58    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    77   268.000  1.529
   72    80   268.000  1.529
   72    84   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    90   268.000  1.529
   90    96   268.000  1.529
   90    99   320.000  1.410
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   99   100   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   60    61   553.000  0.945
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    54    58.35000  112.70000
   33    39    96    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    55    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  119.52600
   41    55    53    63.00000  120.00000
   41    55    62    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    75.00000  123.78400
   44    47    51    65.00000  115.47100
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    55    63.00000  120.00000
   49    53    56    70.00000  120.00000
   53    49    50    35.00000  120.00000
   53    55    62    70.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    64    70.00000  112.17500
   53    56    91    85.00000  111.85700
   55    41    44    63.00000  120.00000
   55    62    63    35.00000  113.00000
   56    53    55    70.00000  120.00000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    70    58.35000  112.70000
   56    91    86    60.00000  109.50000
   64    56    57    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    73    58.35000  112.70000
   64    70    75    50.00000  109.50000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    86    58.35000  112.70000
   70    73    88    50.00000  109.50000
   70    75    76    55.00000  108.50000
   73    70    71    37.50000  110.70000
   73    86    87    37.50000  110.70000
   73    86    91    50.00000  109.50000
   73    86    92    58.35000  112.70000
   73    88    89    55.00000  108.50000
   86    73    74    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    37.50000  110.70000
   91    56    57    35.00000  109.50000
   91    56    64    50.00000  109.50000
   91    86    87    35.00000  109.50000
   92    86    87    37.50000  110.70000
   92    86    91    50.00000  109.50000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   88    73    74    35.00000  109.50000
   88    73    86    50.00000  109.50000
   75    70    71    35.00000  109.50000
   75    70    73    50.00000  109.50000
   47    44    45    60.00000  119.52600
   47    51    52    35.00000  109.50000
   47    51    54    63.00000  111.10000
   51    33    37    63.00000  111.10000
   51    47    48    80.00000  120.40000
   51    54    58    63.00000  111.10000
   51    54    90    58.35000  112.70000
   51    54    60    50.00000  109.50000
   54    51    52    37.50000  110.70000
   54    58    59    80.00000  120.40000
   54    58    67    70.00000  116.00000
   54    90    77    58.35000  112.70000
   54    90    96    58.35000  112.70000
   54    90    99    50.00000  109.50000
   54    60    61    55.00000  108.50000
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    72    63.00000  111.10000
   67    58    59    80.00000  120.40000
   67    72    77    58.35000  112.70000
   67    72    80    58.35000  112.70000
   67    72    84    50.00000  109.50000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    90    58.35000  112.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   72    84    85    55.00000  108.50000
   77    90    96    58.35000  112.70000
   77    90    99    50.00000  109.50000
   79    77    78    33.00000  107.80000
   90    54    58    63.00000  111.10000
   90    77    78    37.50000  110.70000
   90    77    79    37.50000  110.70000
   90    96    97    37.50000  110.70000
   90    96    98    37.50000  110.70000
   90    96    39    58.35000  112.70000
   90    99   100    55.00000  108.50000
   96    39    40    37.50000  110.70000
   96    39    42    50.00000  109.50000
   98    96    97    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    51    58.35000  112.70000
   39    96    97    37.50000  110.70000
   39    96    98    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   99    90    96    50.00000  109.50000
   80    72    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    72    77    50.00000  109.50000
   84    72    80    50.00000  109.50000
   60    54    58    90.00000  109.61100
   60    54    90    50.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
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   80    72    77    78   0.15000  1.0 3.0
   80    72    77    79   0.15000  1.0 3.0
   80    72    77    90   0.56750  1.0 1.0
   80    72    77    90  -0.07550 -1.0 2.0
   80    72    77    90   0.20000  1.0 3.0
   80    72    84    85  -0.11600  1.0 1.0
   80    72    84    85  -0.09450 -1.0 2.0
   80    72    84    85   0.21250  1.0 3.0
   84    72    77    78   0.23400  1.0 3.0
   84    72    77    79   0.23400  1.0 3.0
   84    72    77    90   0.86500  1.0 1.0
   84    72    77    90  -0.17500 -1.0 2.0
   84    72    77    90   0.20800  1.0 3.0
   84    72    80    81   0.23400  1.0 3.0
   84    72    80    82   0.23400  1.0 3.0
   84    72    80    83   0.23400  1.0 3.0
   60    54    58    59   0.30150 -1.0 2.0
   60    54    58    67   0.55300  1.0 1.0
   60    54    58    67   1.25850 -1.0 2.0
   60    54    58    67  -0.23600  1.0 3.0
   60    54    90    77   0.86500  1.0 1.0
   60    54    90    77  -0.17500 -1.0 2.0
   60    54    90    77   0.20800  1.0 3.0
   60    54    90    96   0.86500  1.0 1.0
   60    54    90    96  -0.17500 -1.0 2.0
   60    54    90    96   0.20800  1.0 3.0
   60    54    90    99   3.75450  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   44    55    41    37   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   55    56    53    49   4.00000 -1.0 2.0
   53    62    55    41   4.00000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   54    67    58    59  10.50000 -1.0 2.0
END
