* LIGAND DATABASE FILE (OPLS2005)
*
001     115   117    211    328     622
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02033    64.31140    75.67926
    3     1 S   H    _H1_     3     1.02130    48.16465  -129.19824
    4     1 S   H    _H2_     4     1.02025   105.68034   -27.92857
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C25    36     1.84888    97.30880  -178.13428
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C10    37     1.51157   107.54313    59.96624
   38    33 S   OH   _O37   114     1.42999   110.84273   177.52346
   39    38 S   HO   _H80   115     0.96876   106.26921   -57.35685
   40    37 S   CMA  _C12    38     1.35601   126.09935  -112.06164
   41    40 S   OM   _O34    39     1.26853   129.23962   178.89076
   42    37 S   CO4  _C17   101     1.48691   116.08903    68.89394
   43    42 S   O    _O35   102     1.21939   119.74286   -59.84920
   44    40 S   CT   _C26    40     1.57011   118.95311    -0.80963
   45    42 S   CA   _C9_   103     1.47642   118.44857   119.10941
   46    44 S   CM   _C13    41     1.53726   113.77015    -6.14076
   47    44 S   CT   _C35    73     1.55386   109.28333   113.76864
   48    47 S   HC   _H75    74     1.07800   106.23342   -79.98947
   49    47 S   HC   _H76    75     1.08046   105.73784    34.18851
   50    44 S   CT   _C36    87     1.55965   109.78428  -126.12703
   51    50 S   HC   _H77    88     1.07670   105.92644  -179.94766
   52    50 S   HC   _H78    89     1.07919   105.47220   -65.79450
   53    45 S   CA   _C7_   104     1.39537   119.97801   149.97915
   54    53 S   HA   _H43   105     1.08640   120.62172    -0.02798
   55    33 S   CM   _C11    42     1.51553   108.42929   -64.22623
   56    46 S   OH   _O36    71     1.39107   116.76285  -174.42188
   57    56 S   HO   _H79    72     0.95857   109.19753    -0.02798
   58    47 S   CM   _C15    76     1.48142   112.42501   154.50854
   59    58 S   HC   _H47    77     1.08907   114.57485   -62.69720
   60    50 S   CM   _C16    90     1.47897   112.19169    54.52046
   61    60 S   HC   _H48    91     1.08970   114.61391    -3.25203
   62    53 S   CA   _C5_   106     1.39494   119.96995  -179.93744
   63    62 S   HA   _H41   107     1.08624   119.98387  -179.98022
   64    55 S   CT   _C34    43     1.51542   117.15250   -69.73355
   65    64 S   HC   _H73    44     1.08658   107.31856     0.76259
   66    64 S   HC   _H74    45     1.08684   106.93080   118.22895
   67    58 S   CM   _C19    78     1.34704   127.17135   121.04432
   68    60 S   CM   _C20    92     1.34669   127.11770  -179.34868
   69    62 S   CA   _C4_   108     1.39447   120.01096    -0.05234
   70    69 S   HA   _H40   109     1.08622   119.99338  -179.98022
   71    64 S   CT   _C24    46     1.50647   109.69431  -120.71780
   72    71 S   HC   _H54    47     1.10001   108.08313   -39.97988
   73    67 S   CT   _C29    79     1.50192   125.04058  -180.00000
   74    73 S   HC   _H58    80     1.09466   110.07040    90.00097
   75    73 S   HC   _H59    81     1.09483   110.11376  -150.62357
   76    73 S   HC   _H60    82     1.09266   113.45202   -31.06816
   77    67 S   CT   _C30    83     1.50595   120.46220     0.64952
   78    77 S   HC   _H61    84     1.09518   112.36704    89.98962
   79    77 S   HC   _H62    85     1.09453   110.28651  -149.90688
   80    77 S   HC   _H63    86     1.09439   110.24076   -30.00628
   81    68 S   CT   _C31    93     1.50247   124.96796  -179.95577
   82    81 S   HC   _H64    94     1.09416   110.14080    90.04020
   83    81 S   HC   _H65    95     1.09605   110.01046  -150.64945
   84    81 S   HC   _H66    96     1.09265   113.45733   -31.12102
   85    68 S   CT   _C32    97     1.50454   120.49303     0.69717
   86    85 S   HC   _H67    98     1.09501   112.41418    89.97887
   87    85 S   HC   _H68    99     1.09575   110.28962  -149.86558
   88    85 S   HC   _H69   100     1.09507   110.24930   -30.06919
   89    69 S   CA   _C6_   110     1.39537   120.01908     0.05234
   90    89 S   HA   _H42   111     1.08578   119.97643  -179.98022
   91    71 S   CT   _C23    48     1.54381   112.64442  -160.83565
   92    91 S   HC   _H53    49     1.09789   109.59893   -41.02502
   93    45 S   CA   _C8_   112     1.39444   120.00949   -29.96930
   94    93 S   HA   _H44   113     1.08699   120.62924    -0.07133
   95    91 S   CT   _C21    50     1.53954   104.82764  -157.05807
   96    95 S   HC   _H49    51     1.09643   113.25782  -111.18515
   97    95 S   HC   _H50    52     1.09734   109.60689   129.50025
   98    91 S   CM   _C18    63     1.49527   113.77010    79.33417
   99    95 S   CT   _C22    53     1.53155   106.67456    10.25985
  100    99 S   HC   _H51    54     1.09498   110.79700   138.65544
  101    99 S   HC   _H52    55     1.09722   108.89892  -102.40026
  102    98 S   CM   _C14    64     1.34089   121.90291    58.48579
  103   102 S   HC   _H45    65     1.08428   121.37226  -179.98022
  104   102 S   HC   _H46    66     1.08537   121.36959    -0.07662
  105    98 S   CT   _C28    67     1.49983   116.17478  -121.57485
  106   105 S   HC   _H55    68     1.09502   110.31979   -89.92374
  107   105 S   HC   _H56    69     1.09482   110.26693    29.85028
  108   105 S   HC   _H57    70     1.09538   112.15866   149.95692
  109    71 S   CT   _C27    56     1.53904   114.88856    81.83733
  110   109 S   CT   _C33    57     1.52384   114.12147   -72.96909
  111   110 S   HC   _H70    58     1.08915   110.05039    64.30933
  112   110 S   HC   _H71    59     1.08963   109.96819   -55.68631
  113   110 S   HC   _H72    60     1.09066   109.99494  -175.61675
  114   109 S   OH   _O38    61     1.42758   111.19868    50.63054
  115   114 S   HO   _H81    62     0.96978   106.44708   171.35566
  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
  16   2   1   1  15   6   1  16   5  10   3  17   9  15  13   5
   4  10   4   3   8   4   9   2   1  10   3  10   3   6   3  12
   5   4   8   8   5   3  19   8   7   3   2   1   3   2   1   1
   7   3   2   1   3   2   1   1   3   2  18   8   1   1  11   6
   5   9   9   4   3   6   2   1   3   2   1   1   6   5   3   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    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    46    55    64    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    46    55    64    65    66    71    56    42    43    45    38    39  
   35    36  
   36  
    0  
   40    41    44    46    55    64    47    50    42    43    45    53    93    38    39  
   39    40    42    46    55    64  
   55  
   41    44    46    55    56    47    48    49    58    50    51    52    60    42    43    45  
   44    46    47    50    42  
   43    45    53    54    62    89    93    94    44    55  
   45    53    93  
   46    55    64    56    57    47    48    49    58    59    67    50    51    52    60    61    68  
   53    54    62    63    69    89    90    93    94  
   55    64    65    66    71    56    57    47    48    49    58    50    51    52    60  
   48    49    58    59    67    73    77    50    51    52    60    55    56  
   49    58    59    67    50  
   58    59    67    50  
   51    52    60    61    68    81    85    55    56    58  
   52    60    61    68  
   60    61    68  
   54    62    63    69    70    89    93    94  
   62    63    69    93  
   64    65    66    71    72    91   109    56    57  
   57    64  
    0  
   59    67    73    74    75    76    77    78    79    80  
   67    73    77  
   61    68    81    82    83    84    85    86    87    88  
   68    81    85  
   63    69    70    89    90    93  
   69    70    89  
   65    66    71    72    91    92    95    99   109   110   114    98  
   66    71    72    91   109  
   71    72    91   109  
   73    74    75    76    77    78    79    80  
   81    82    83    84    85    86    87    88  
   70    89    90    93    94  
   89    90    93  
   72    91    92    95    96    97    99   100   101   109   110   111   112   113   114   115    98   102   105  
   91    92    95    99   109   110   114    98  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    93    94  
   93    94  
   92    95    96    97    99   100   101   109   110   114    98   102   103   104   105   106   107   108  
   95    96    97    99   109    98   102   105  
   94  
    0  
   96    97    99   100   101   109   110   114    98   102   105  
   97    99   100   101   109    98  
   99   100   101   109    98  
  102   103   104   105   106   107   108    99   109  
  100   101   109   110   111   112   113   114   115  
  101   109   110   114  
  109   110   114  
  103   104   105   106   107   108  
  104   105  
  105  
  106   107   108  
  107   108  
  108  
    0  
  110   111   112   113   114   115  
  111   112   113   114   115  
  112   113   114  
  113   114  
  114  
  115  
    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   0.432500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  115   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  1.510
   33    55   317.000  1.510
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   320.000  1.462
   40    41   745.000  1.250
   40    44   270.000  1.512
   44    46   317.000  1.510
   44    47   268.000  1.529
   44    50   268.000  1.529
   46    55   549.000  1.340
   46    56   510.000  1.338
   55    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    91   268.000  1.529
   71   109   268.000  1.529
   91    92   340.000  1.090
   91    95   268.000  1.529
   91    98   317.000  1.510
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   109   268.000  1.529
  109   110   268.000  1.529
  109   114   320.000  1.410
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
  114   115   553.000  0.945
   98   102   549.000  1.340
   98   105   317.000  1.510
  102   103   340.000  1.080
  102   104   340.000  1.080
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   56    57   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    58   317.000  1.510
   58    59   340.000  1.080
   58    67   549.000  1.340
   67    73   317.000  1.510
   67    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   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   317.000  1.510
   60    61   340.000  1.080
   60    68   549.000  1.340
   68    81   317.000  1.510
   68    85   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   42    43   570.000  1.229
   42    45   310.000  1.470
   45    53   469.000  1.400
   45    93   469.000  1.400
   53    54   367.000  1.080
   53    62   469.000  1.400
   62    63   367.000  1.080
   62    69   469.000  1.400
   69    70   367.000  1.080
   69    89   469.000  1.400
   89    90   367.000  1.080
   89    93   469.000  1.400
   93    94   367.000  1.080
   38    39   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  112.20000
   29    33    55    75.00000  112.20000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    55    46    70.00000  124.00000
   33    55    64    65.00000  117.92700
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    65.00000  122.18000
   37    42    43    80.00000  123.72100
   37    42    45    65.00000  117.02400
   40    44    46    70.00000  110.12100
   40    44    47    70.00000  112.02700
   40    44    50    70.00000  112.02700
   44    40    41    85.00000  112.85300
   44    46    55    70.00000  124.00000
   44    46    56    90.00000  109.34000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    58    70.00000  112.02700
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    60    70.00000  112.02700
   46    55    64    70.00000  124.00000
   46    56    57    70.00000  107.45700
   55    33    37    70.00000  110.12100
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    71    70.00000  112.02700
   64    71    72    37.50000  110.70000
   64    71    91    58.35000  112.70000
   64    71   109    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    91    92    37.50000  110.70000
   71    91    95    58.35000  112.70000
   71    91    98    70.00000  112.02700
   71   109    99    58.35000  112.70000
   71   109   110    58.35000  112.70000
   71   109   114    50.00000  109.50000
   91    71    72    37.50000  110.70000
   91    95    96    37.50000  110.70000
   91    95    97    37.50000  110.70000
   91    95    99    58.35000  112.70000
   91    98   102    70.00000  124.00000
   91    98   105    65.00000  117.92700
   95    91    92    37.50000  110.70000
   95    99   100    37.50000  110.70000
   95    99   101    37.50000  110.70000
   95    99   109    58.35000  112.70000
   97    95    96    33.00000  107.80000
   99    95    96    37.50000  110.70000
   99    95    97    37.50000  110.70000
   99   109   110    58.35000  112.70000
   99   109   114    50.00000  109.50000
  101    99   100    33.00000  107.80000
  109    71    72    37.50000  110.70000
  109    71    91    58.35000  112.70000
  109    99   100    37.50000  110.70000
  109    99   101    37.50000  110.70000
  109   110   111    37.50000  110.70000
  109   110   112    37.50000  110.70000
  109   110   113    37.50000  110.70000
  109   114   115    55.00000  108.50000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
  114   109   110    50.00000  109.50000
   98    91    92    35.00000  109.50000
   98    91    95    70.00000  112.02700
   98   102   103    35.00000  120.00000
   98   102   104    35.00000  120.00000
   98   105   106    35.00000  109.50000
   98   105   107    35.00000  109.50000
   98   105   108    35.00000  109.50000
  104   102   103    35.00000  117.00000
  105    98   102    70.00000  124.00000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   56    46    55    80.00000  121.38400
   47    44    46    70.00000  112.02700
   47    58    59    35.00000  117.00000
   47    58    67    70.00000  124.00000
   49    47    48    33.00000  107.80000
   58    47    48    35.00000  109.50000
   58    47    49    35.00000  109.50000
   58    67    73    70.00000  124.00000
   58    67    77    70.00000  124.00000
   67    58    59    35.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   67    77    78    35.00000  109.50000
   67    77    79    35.00000  109.50000
   67    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    67    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   50    44    46    70.00000  112.02700
   50    44    47    58.35000  112.70000
   50    60    61    35.00000  117.00000
   50    60    68    70.00000  124.00000
   52    50    51    33.00000  107.80000
   60    50    51    35.00000  109.50000
   60    50    52    35.00000  109.50000
   60    68    81    70.00000  124.00000
   60    68    85    70.00000  124.00000
   68    60    61    35.00000  120.00000
   68    81    82    35.00000  109.50000
   68    81    83    35.00000  109.50000
   68    81    84    35.00000  109.50000
   68    85    86    35.00000  109.50000
   68    85    87    35.00000  109.50000
   68    85    88    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    68    81    65.00000  117.92700
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   42    37    40    60.00000  125.92000
   42    45    53    60.00000  119.52600
   42    45    93    60.00000  119.52600
   45    42    43    75.00000  123.78400
   45    53    54    35.00000  120.00000
   45    53    62    63.00000  120.00000
   45    93    89    63.00000  120.00000
   45    93    94    35.00000  120.00000
   53    62    63    35.00000  120.00000
   53    62    69    63.00000  120.00000
   62    53    54    35.00000  120.00000
   62    69    70    35.00000  120.00000
   62    69    89    63.00000  120.00000
   69    62    63    35.00000  120.00000
   69    89    90    35.00000  120.00000
   69    89    93    63.00000  120.00000
   89    69    70    35.00000  120.00000
   89    93    94    35.00000  120.00000
   93    45    53    63.00000  120.00000
   93    89    90    35.00000  120.00000
   38    33    37    90.00000  110.39200
   38    33    55    90.00000  110.39200
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
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   50    44    46    56   0.09700  1.0 1.0
   50    44    46    56   0.15600 -1.0 2.0
   50    44    46    56  -0.50800  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    58   0.34400  1.0 1.0
   50    44    47    58   0.09450 -1.0 2.0
   50    44    47    58   0.11100  1.0 3.0
   50    60    68    81   7.00000 -1.0 2.0
   50    60    68    85   7.00000 -1.0 2.0
   51    50    60    61   0.33100  1.0 3.0
   51    50    60    68   0.00000  1.0 1.0
   52    50    60    61   0.33100  1.0 3.0
   52    50    60    68   0.00000  1.0 1.0
   60    68    81    82   0.00000  1.0 1.0
   60    68    81    83   0.00000  1.0 1.0
   60    68    81    84   0.00000  1.0 1.0
   60    68    85    86   0.00000  1.0 1.0
   60    68    85    87   0.00000  1.0 1.0
   60    68    85    88   0.00000  1.0 1.0
   61    60    68    81   7.00000 -1.0 2.0
   61    60    68    85   7.00000 -1.0 2.0
   81    68    85    86   0.34800  1.0 3.0
   81    68    85    87   0.34800  1.0 3.0
   81    68    85    88   0.34800  1.0 3.0
   85    68    81    82   0.34800  1.0 3.0
   85    68    81    83   0.34800  1.0 3.0
   85    68    81    84   0.34800  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   42    45    53    54   3.62500 -1.0 2.0
   42    45    53    62   3.62500 -1.0 2.0
   42    45    93    89   3.62500 -1.0 2.0
   42    45    93    94   3.62500 -1.0 2.0
   43    42    45    53   1.05000 -1.0 2.0
   43    42    45    93   1.05000 -1.0 2.0
   45    53    62    63   3.62500 -1.0 2.0
   45    53    62    69   3.62500 -1.0 2.0
   53    45    93    89   3.62500 -1.0 2.0
   53    45    93    94   3.62500 -1.0 2.0
   53    62    69    70   3.62500 -1.0 2.0
   53    62   -69    89   3.62500 -1.0 2.0
   54    53    62    63   3.62500 -1.0 2.0
   54    53    62    69   3.62500 -1.0 2.0
   62    69    89    90   3.62500 -1.0 2.0
   62    69    89    93   3.62500 -1.0 2.0
   63    62    69    70   3.62500 -1.0 2.0
   63    62    69    89   3.62500 -1.0 2.0
   69    89   -93    45   3.62500 -1.0 2.0
   69    89    93    94   3.62500 -1.0 2.0
   70    69    89    90   3.62500 -1.0 2.0
   70    69    89    93   3.62500 -1.0 2.0
   90    89    93    45   3.62500 -1.0 2.0
   90    89    93    94   3.62500 -1.0 2.0
   93    45    53    54   3.62500 -1.0 2.0
   93    45   -53    62   3.62500 -1.0 2.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    55    46   0.67800  1.0 1.0
   38    33    55    46   0.47050 -1.0 2.0
   38    33    55    46  -0.62500  1.0 3.0
   38    33    55    64   0.18000  1.0 1.0
   38    33    55    64   0.16450 -1.0 2.0
   38    33    55    64   0.04450  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   44    56    46    55   1.10000 -1.0 2.0
   33    64    55    46   1.10000 -1.0 2.0
   91   105    98   102  15.00000 -1.0 2.0
  103   104   102    98  15.00000 -1.0 2.0
   47    59    58    67  15.00000 -1.0 2.0
   73    77    67    58  15.00000 -1.0 2.0
   50    61    60    68  15.00000 -1.0 2.0
   81    85    68    60  15.00000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
   53    93    45    42   4.00000 -1.0 2.0
   62    54    53    45   1.10000 -1.0 2.0
   69    63    62    53   1.10000 -1.0 2.0
   89    70    69    62   1.10000 -1.0 2.0
   93    90    89    69   1.10000 -1.0 2.0
   89    94    93    45   1.10000 -1.0 2.0
END
