* LIGAND DATABASE FILE (OPLS2005)
*
001     105   107    207    327     624
    1     0 S   NP   _N1_     1    28.49136    93.91730   -24.69366
    2     1 S   H    _HN1     2     1.02961    79.50573    39.20675
    3     1 S   H    _H1_     3     1.02838    29.26905  -160.73498
    4     1 S   H    _H2_     4     1.02778   108.39076   -66.77664
    5     1 S   CT   _CA1     5     1.50121   131.60216   147.23161
    6     5 S   HC   _HA1     6     1.09576   105.22954    83.49357
    7     5 S   CO3  _C1_     7     1.53780   112.38032   -36.69787
    8     7 S   O2Z  _O11     8     1.26357   115.00392   -44.12515
    9     7 S   O2Z  _O12     9     1.26238   114.91313   135.04601
   10     5 S   CT   _CB1    10     1.53105   107.43323  -158.62592
   11    10 S   HC   HB11    11     1.09825   109.30061   -51.06609
   12    10 S   HC   HB12    12     1.09819   110.42235    65.46453
   13    10 S   CT   _CG1    13     1.53019   112.69916  -172.18900
   14    13 S   HC   HG11    14     1.09599   110.43212   -64.03438
   15    13 S   HC   HG12    15     1.09652   109.99357    55.18765
   16    13 S   C    _CD1    16     1.51818   112.32483   175.50625
   17    16 S   O    _OE1    17     1.22733   123.30844    -2.59752
   18    16 S   N    _N2_    18     1.38649   111.68420   177.72290
   19    18 S   H    _HN2    19     1.01600   119.02613     1.46152
   20    18 S   CT1  _CA2    20     1.46025   123.27381   179.95577
   21    20 S   HC   _HA2    21     1.09726   109.18745    -4.97351
   22    20 S   C    _C2_    22     1.53322   109.13870  -120.07636
   23    22 S   O    _O2_    23     1.23071   122.08712  -147.04395
   24    20 S   CT   _CB2    32     1.53424   111.55554   116.78953
   25    24 S   HC   HB21    33     1.09418   109.87051    50.91900
   26    24 S   HC   HB22    34     1.09175   109.74271   169.72597
   27    22 S   N    _N3_    24     1.38450   113.56010    41.55389
   28    27 S   H    _HN3    25     1.01501   119.13107    -1.99841
   29    24 S   S    _SG2    35     1.82882   110.72725   -70.51735
   30    27 S   CT   _CA3    26     1.45425   122.91565   173.59721
   31    30 S   HC   HA31    27     1.09556   108.54916    37.17490
   32    30 S   HC   HA32    28     1.09469   107.34666   154.17876
   33    29 S   CT   _C10    36     1.87135   101.87891  -177.63413
   34    30 S   CO3  _C3_    29     1.52978   113.39627   -85.69030
   35    34 S   O2Z  _O31    30     1.26375   115.64397   -39.95381
   36    34 S   O2Z  _O32    31     1.26370   114.90105   140.18214
   37    33 S   CT   _C9_    37     1.55222   105.17032  -177.83653
   38    37 S   HC   _H13    38     1.09813   110.48231    53.29072
   39    37 S   HC   _H14    39     1.09622   111.22880   -63.12911
   40    33 S   CT   _C11    84     1.55848   109.36352    62.55931
   41    40 S   HC   _H15    85     1.09765   109.95579   -75.29206
   42    40 S   HC   _H16    86     1.09522   111.92895   169.38876
   43    37 S   CT   _C8_    40     1.53299   113.84591   174.26024
   44    43 S   HC   _H11    41     1.09402   108.74139    69.53379
   45    43 S   HC   _H12    42     1.09532   107.49856  -175.64216
   46    40 S   CO4  _C12    87     1.51752   116.23554    48.52564
   47    46 S   O    _O33    88     1.22349   124.38933    66.66140
   48    43 S   CT   _C7_    43     1.54505   112.92337   -53.94499
   49    48 S   HC   _H5_    44     1.09934   106.25312   -62.38736
   50    46 S   OS   _O34    89     1.36523   110.04957  -114.05394
   51    48 S   CT   _C6_    45     1.54685   109.52017    53.44392
   52    51 S   HC   _H4_    46     1.09629   108.56454    61.58438
   53    50 S   CT   _C13    90     1.43667   115.50092   179.63738
   54    53 S   HC   _H17    91     1.09639   109.05969    55.60419
   55    53 S   HC   _H18    92     1.09442   109.55106   -63.13447
   56    51 S   CO4  _C24    47     1.52932   113.03804   175.23022
   57    56 S   O    _O35    48     1.23284   122.02739   148.07157
   58    33 S   CT   _C5_    78     1.57692   112.30105   -60.02862
   59    58 S   HC   _H3_    79     1.09864   108.09894    71.57284
   60    53 S   CT   _C14    93     1.52389   108.99250   174.14780
   61    60 S   HC   _H19    94     1.09562   109.38872   -56.50688
   62    60 S   HC   _H20    95     1.09477   112.01365  -178.23797
   63    56 S   CT   _C23    49     1.51242   117.76481   -40.06025
   64    63 S   HC   _H32    50     1.09420   106.54435   166.22569
   65    63 S   HC   _H33    51     1.09354   107.90339   -78.67346
   66    58 S   CT   _C4_    80     1.54841   113.68196   -46.05927
   67    66 S   HC   _H8_    81     1.09295   112.67911   -52.45160
   68    66 S   HC   _H9_    82     1.09350   111.98430  -173.17775
   69    66 S   HC   _H10    83     1.09410   111.35471    68.59223
   70    60 S   NP   _N4_    96     1.51589   111.44499    60.86970
   71    70 S   H    _H21    97     1.02953   107.28876   -47.60873
   72    63 S   CT   _C22    52     1.53564   111.65511    45.40418
   73    72 S   HC   _H7_    53     1.10318   105.39016    55.36976
   74    70 S   CT   _C15    98     1.50497   113.70686    70.88818
   75    74 S   HC   _H22    99     1.09303   108.64375    58.85324
   76    74 S   HC   _H23   100     1.09235   108.14601   179.29640
   77    74 S   HC   _H24   101     1.09153   108.63915   -62.31770
   78    70 S   CT   _C16   102     1.50726   111.24798  -163.24178
   79    78 S   HC   _H25   103     1.09320   108.54436   -62.44405
   80    78 S   HC   _H26   104     1.09313   108.10295    58.22628
   81    78 S   HC   _H27   105     1.09133   108.18394   176.92133
   82    48 S   CT   _C17    54     1.58419   114.31185  -178.56646
   83    82 S   CT   _C18    55     1.55188   109.15792    58.48905
   84    83 S   HC   _H28    56     1.09821   109.51743    45.41383
   85    83 S   HC   _H29    57     1.09656   110.57248   -71.39895
   86    82 S   CT   _C27    74     1.54739   110.08086   -60.28865
   87    86 S   HC   _H41    75     1.09255   112.95217   -59.07454
   88    86 S   HC   _H42    76     1.08849   112.77126   179.26992
   89    86 S   HC   _H43    77     1.09497   111.28337    61.28958
   90    83 S   CT   _C19    58     1.52254   113.90651   166.74035
   91    90 S   HC   _H30    59     1.09553   111.26159    66.50448
   92    90 S   HC   _H31    60     1.09768   109.08770  -178.32930
   93    90 S   CT   _C20    61     1.52387   111.39393   -57.68570
   94    93 S   HC   _H6_    62     1.09820   108.32087   -63.17039
   95    72 S   CT   _C21    63     1.57747   113.85285   168.67279
   96    93 S   OH   _O36    72     1.42709   108.77541  -178.76046
   97    96 S   HO   _H40    73     0.97238   107.66260    57.85738
   98    95 S   CT   _C25    64     1.54436   114.20872    53.38315
   99    98 S   HC   _H34    65     1.09708   110.98397  -168.77793
  100    98 S   HC   _H35    66     1.08950   113.04340    72.36906
  101    98 S   HC   _H36    67     1.09404   111.94660   -50.14283
  102    95 S   CT   _C26    68     1.55587   109.24246   -64.67544
  103   102 S   HC   _H37    69     1.09622   111.44713  -172.39176
  104   102 S   HC   _H38    70     1.09448   111.99691    68.21707
  105   102 S   HC   _H39    71     1.09575   111.25186   -52.66937
  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  13   5   4   3
  22   2   1   1  16   7   6  11   5   4  12   5   4   7   2  21
   8   7  16   7   9   5   4  11   5   7   4  12   5   4  11   5
   4   3   2   1   1   9   8  22   7   7   3   2   1   3   2   1
   1  14  13   6   5   5   2   1   1   9   5   4  12   5  10   3
   1   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    58    59    66    40    41    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    51    52    56    58    59    66    67    68    69    40    41    42    46    47    50  
   35    36  
   36  
    0  
   38    39    43    44    45    48    49    51    82    58    59    66    40    41    42    46  
   39    43    44    45    48    58    40  
   43    44    45    48    58    40  
   41    42    46    47    50    53    43    51    58    59    66  
   42    46    47    50    58  
   46    47    50    58  
   44    45    48    49    51    52    56    72    82    83    86    58  
   45    48    49    51    82  
   48    49    51    82  
   47    50    53    54    55    60    58  
   50    53  
   49    51    52    56    57    63    72    73    82    83    84    85    90    95    86    87    88    89    58    59    66  
   51    52    56    72    82    83    86    58  
   53    54    55    60    61    62    70  
   52    56    57    63    64    65    72    82    83    86    58    59    66    67    68    69  
   56    57    63    82    58    59    66  
   54    55    60    61    62    70    71    74    78  
   55    60    61    62    70  
   60    61    62    70  
   57    63    64    65    72    73    82    95    58    59    66  
   63    64    65    72    58  
   59    66    67    68    69    63    82  
   66    67    68    69  
   61    62    70    71    74    75    76    77    78    79    80    81  
   62    70    71    74    78  
   70    71    74    78  
   64    65    72    73    82    83    93    95    98   102    86  
   65    72    73    82    95  
   72    73    82    95  
   67    68    69  
   68    69  
   69  
    0  
   71    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80    81  
   73    82    83    84    85    90    93    94    95    98    99   100   101   102   103   104   105    96    86    87    88    89  
   82    83    93    95    98   102    86  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    90    91    92    93    95    98   102    86    87    88    89  
   84    85    90    91    92    93    94    95    96    86    87    88    89  
   85    90    91    92    93    86  
   90    91    92    93    86  
   87    88    89    90    95  
   88    89  
   89  
    0  
   91    92    93    94    95    98   102    96    97  
   92    93    94    95    96  
   93    94    95    96  
   94    95    98    99   100   101   102   103   104   105    96    97  
   95    98   102    96    97  
   98    99   100   101   102   103   104   105    96    97  
   97    98   102  
    0  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102  
  102  
  103   104   105  
  104   105  
  105  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.414400   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   71   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    58   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    82   268.000  1.529
   51    52   340.000  1.090
   51    56   317.000  1.522
   51    58   268.000  1.529
   56    57   570.000  1.229
   56    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   268.000  1.529
   72    73   340.000  1.090
   72    82   268.000  1.529
   72    95   268.000  1.529
   82    83   268.000  1.529
   82    86   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   268.000  1.529
   93    96   320.000  1.410
   95    98   268.000  1.529
   95   102   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   96    97   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   58    59   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    50   214.000  1.327
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   367.000  1.471
   70    71   434.000  1.010
   70    74   367.000  1.471
   70    78   367.000  1.471
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    58    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    58    51    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    66    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    46    63.00000  111.10000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    48    58.35000  112.70000
   39    37    38    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    39    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    51    58.35000  112.70000
   43    48    82    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    56    63.00000  111.10000
   48    51    58    58.35000  112.70000
   48    82    72    58.35000  112.70000
   48    82    83    58.35000  112.70000
   48    82    86    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    56    57    80.00000  120.40000
   51    56    63    70.00000  116.00000
   51    58    59    37.50000  110.70000
   51    58    66    58.35000  112.70000
   56    51    52    35.00000  109.50000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    72    63.00000  111.10000
   63    56    57    80.00000  120.40000
   63    72    73    37.50000  110.70000
   63    72    82    58.35000  112.70000
   63    72    95    58.35000  112.70000
   65    63    64    33.00000  107.80000
   72    63    64    37.50000  110.70000
   72    63    65    37.50000  110.70000
   72    82    83    58.35000  112.70000
   72    82    86    58.35000  112.70000
   72    95    93    58.35000  112.70000
   72    95    98    58.35000  112.70000
   72    95   102    58.35000  112.70000
   82    48    49    37.50000  110.70000
   82    48    51    58.35000  112.70000
   82    72    73    37.50000  110.70000
   82    83    84    37.50000  110.70000
   82    83    85    37.50000  110.70000
   82    83    90    58.35000  112.70000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    89    37.50000  110.70000
   83    90    91    37.50000  110.70000
   83    90    92    37.50000  110.70000
   83    90    93    58.35000  112.70000
   85    83    84    33.00000  107.80000
   90    83    84    37.50000  110.70000
   90    83    85    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    95    58.35000  112.70000
   90    93    96    50.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    95    98    58.35000  112.70000
   93    95   102    58.35000  112.70000
   93    96    97    55.00000  108.50000
   95    72    73    37.50000  110.70000
   95    72    82    58.35000  112.70000
   95    93    94    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    37.50000  110.70000
   95   102   103    37.50000  110.70000
   95   102   104    37.50000  110.70000
   95   102   105    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    95    98    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   96    93    94    35.00000  109.50000
   96    93    95    50.00000  109.50000
   86    82    83    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   58    33    37    58.35000  112.70000
   58    51    52    37.50000  110.70000
   58    51    56    63.00000  111.10000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    69    37.50000  110.70000
   66    58    59    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   40    46    47    80.00000  120.40000
   40    46    50    81.00000  111.40000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    42    35.00000  109.50000
   46    50    53    83.00000  116.90000
   50    46    47    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    60    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    70    80.00000  111.20000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    70    71    35.00000  109.50000
   60    70    74    75.00000  113.01200
   60    70    78    75.00000  113.01200
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    35.00000  109.50000
   74    70    71    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    70    71    35.00000  109.50000
   78    70    74    75.00000  113.01200
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
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   53    60    70    71   0.17350  1.0 3.0
   53    60    70    74   0.47100  1.0 1.0
   53    60    70    78   0.47100  1.0 1.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    70   0.19200  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    70   0.19200  1.0 3.0
   60    70    74    75   0.15000  1.0 3.0
   60    70    74    76   0.15000  1.0 3.0
   60    70    74    77   0.15000  1.0 3.0
   60    70    78    79   0.15000  1.0 3.0
   60    70    78    80   0.15000  1.0 3.0
   60    70    78    81   0.15000  1.0 3.0
   61    60    70    71   0.13050  1.0 3.0
   61    60    70    74   0.15000  1.0 3.0
   61    60    70    78   0.15000  1.0 3.0
   62    60    70    71   0.13050  1.0 3.0
   62    60    70    74   0.15000  1.0 3.0
   62    60    70    78   0.15000  1.0 3.0
   71    70    74    75   0.13050  1.0 3.0
   71    70    74    76   0.13050  1.0 3.0
   71    70    74    77   0.13050  1.0 3.0
   71    70    78    79   0.13050  1.0 3.0
   71    70    78    80   0.13050  1.0 3.0
   71    70    78    81   0.13050  1.0 3.0
   74    70    78    79   0.15000  1.0 3.0
   74    70    78    80   0.15000  1.0 3.0
   74    70    78    81   0.15000  1.0 3.0
   78    70    74    75   0.15000  1.0 3.0
   78    70    74    76   0.15000  1.0 3.0
   78    70    74    77   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   51    63    56    57  10.50000 -1.0 2.0
   40    50    46    47  10.50000 -1.0 2.0
END
