COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.836   1.449  -2.049  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.536   1.988  -2.458  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.742   3.468  -2.098  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.823   3.039  -1.100  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.206   3.527  -1.455  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.227   0.516  -1.142  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.598   3.476  -1.170  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.592   2.468  -0.592  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.168  -1.190  -0.695  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.609  -2.157  -1.392  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.067  -1.682  -1.453  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.289  -2.901  -2.348  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.599  -1.529   2.875  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.451  -4.664   3.793  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.597  -5.448   2.795  1.00  0.00           C  
HETATM   16  C   UNL     1       2.440   1.683  -0.314  1.00  0.00           C  
HETATM   17  C   UNL     1       2.920   2.231   0.899  1.00  0.00           C  
HETATM   18  C   UNL     1       3.228   0.756  -0.966  1.00  0.00           C  
HETATM   19  C   UNL     1       4.180   1.810   1.394  1.00  0.00           C  
HETATM   20  C   UNL     1       4.463   0.387  -0.417  1.00  0.00           C  
HETATM   21  C   UNL     1       2.171   3.178   1.612  1.00  0.00           C  
HETATM   22  C   UNL     1       2.657   3.689   2.776  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.032  -2.689   2.282  1.00  0.00           S  
HETATM   24  O   UNL     1      -0.709  -3.101   2.596  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.180  -4.089   2.401  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.338  -4.081   1.402  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.977  -2.336   0.665  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.081  -1.887   0.036  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.086  -1.647   0.671  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.385  -1.846  -2.216  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.568   0.192  -0.732  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.542   1.166  -1.396  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.249   3.167  -0.650  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.044   2.517   0.647  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.387   4.222  -2.432  1.00  0.00           O  
HETATM   36  N   UNL     1      -2.184  -0.597  -1.939  1.00  0.00           N  
HETATM   37  O   UNL     1      -2.835   0.481  -0.090  1.00  0.00           O  
HETATM   38  N   UNL     1      -1.603   1.645  -1.511  1.00  0.00           N  
HETATM   39  O   UNL     1       1.238   2.055  -0.819  1.00  0.00           O  
HETATM   40  C   UNL     1       5.299  -0.607  -1.122  1.00  0.00           C  
HETATM   41  N   UNL     1       6.463  -1.035  -0.723  1.00  0.00           N  
HETATM   42  C   UNL     1       7.064  -1.922  -1.478  1.00  0.00           C  
HETATM   43  C   UNL     1       8.412  -2.494  -1.123  1.00  0.00           C  
HETATM   44  C   UNL     1       8.225  -3.815  -0.374  1.00  0.00           C  
HETATM   45  C   UNL     1       9.214  -2.742  -2.402  1.00  0.00           C  
HETATM   46  C   UNL     1       6.405  -2.289  -2.585  1.00  0.00           C  
HETATM   47  S   UNL     1       4.879  -1.408  -2.634  1.00  0.00           S  
HETATM   48  N   UNL     1       4.898   0.909   0.718  1.00  0.00           N  
HETATM   49  C   UNL     1       4.657   2.354   2.599  1.00  0.00           C  
HETATM   50  C   UNL     1       3.898   3.282   3.274  1.00  0.00           C  
HETATM   51  O   UNL     1       4.360   3.809   4.438  1.00  0.00           O  
HETATM   52  C   UNL     1       3.527   4.767   5.092  1.00  0.00           C  
HETATM   53  H   UNL     1       0.778   0.368  -1.920  1.00  0.00           H  
HETATM   54  H   UNL     1       1.564   1.684  -2.825  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.787   1.757  -3.494  1.00  0.00           H  
HETATM   56  H   UNL     1       0.128   3.922  -1.624  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.129   4.064  -2.924  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.564   3.218  -0.061  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.596   3.404  -2.258  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.884   4.484  -0.870  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.334   2.261   0.447  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.598   2.884  -0.638  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.045  -1.393  -0.099  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.020  -3.154  -1.368  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.741  -2.942  -3.289  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.454  -3.861  -1.858  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.456  -5.035   3.997  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.941  -4.200   4.637  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.525  -5.501   2.983  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.039  -6.336   2.343  1.00  0.00           H  
HETATM   71  H   UNL     1       2.894   0.316  -1.894  1.00  0.00           H  
HETATM   72  H   UNL     1       1.211   3.501   1.238  1.00  0.00           H  
HETATM   73  H   UNL     1       2.076   4.418   3.322  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.159  -3.487   1.803  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.002  -3.647   0.460  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.678  -5.102   1.230  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.151  -2.453   0.171  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.558  -1.195  -3.077  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.363   0.525   0.286  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.637   0.168  -1.298  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.536   0.720  -1.428  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.207   1.379  -2.411  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.978   2.487   0.874  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.565   3.079   1.422  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.436   1.500   0.609  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.635  -0.667  -2.735  1.00  0.00           H  
HETATM   87  H   UNL     1       8.950  -1.790  -0.488  1.00  0.00           H  
HETATM   88  H   UNL     1       7.687  -4.519  -1.009  1.00  0.00           H  
HETATM   89  H   UNL     1       9.200  -4.229  -0.117  1.00  0.00           H  
HETATM   90  H   UNL     1       7.653  -3.639   0.537  1.00  0.00           H  
HETATM   91  H   UNL     1       9.348  -1.801  -2.935  1.00  0.00           H  
HETATM   92  H   UNL     1      10.189  -3.155  -2.145  1.00  0.00           H  
HETATM   93  H   UNL     1       8.677  -3.446  -3.037  1.00  0.00           H  
HETATM   94  H   UNL     1       6.747  -3.004  -3.318  1.00  0.00           H  
HETATM   95  H   UNL     1       5.614   2.045   2.992  1.00  0.00           H  
HETATM   96  H   UNL     1       2.569   4.308   5.338  1.00  0.00           H  
HETATM   97  H   UNL     1       4.013   5.107   6.007  1.00  0.00           H  
HETATM   98  H   UNL     1       3.363   5.618   4.431  1.00  0.00           H  
CONECT    1    2   39   53   54                                       
CONECT    2    1    3   38   55                                       
CONECT    3    2    4   56   57                                       
CONECT    4    3    5   38   58                                       
CONECT    5    4   33   35   35                                       
CONECT    6   36   37   37   38                                       
CONECT    7    8   33   59   60                                       
CONECT    8    7   32   61   62                                       
CONECT    9   10   10   31   63                                       
CONECT   10    9    9   30   64                                       
CONECT   11   12   28   30   36                                       
CONECT   12   11   30   65   66                                       
CONECT   13   23   23                                                 
CONECT   14   15   25   67   68                                       
CONECT   15   14   25   69   70                                       
CONECT   16   17   17   18   39                                       
CONECT   17   16   16   19   21                                       
CONECT   18   16   20   20   71                                       
CONECT   19   17   48   48   49                                       
CONECT   20   18   18   40   48                                       
CONECT   21   17   22   22   72                                       
CONECT   22   21   21   50   73                                       
CONECT   23   13   13   24   24                                       
CONECT   23   25   27                                                 
CONECT   24   23   23                                                 
CONECT   25   14   15   23   26                                       
CONECT   26   25   74   75   76                                       
CONECT   27   23   28   77                                            
CONECT   28   11   27   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   10   11   12   78                                       
CONECT   31    9   32   79   80                                       
CONECT   32    8   31   81   82                                       
CONECT   33    5    7   34                                            
CONECT   34   33   83   84   85                                       
CONECT   35    5    5                                                 
CONECT   36    6   11   86                                            
CONECT   37    6    6                                                 
CONECT   38    2    4    6                                            
CONECT   39    1   16                                                 
CONECT   40   20   41   41   47                                       
CONECT   41   40   40   42                                            
CONECT   42   41   43   46   46                                       
CONECT   43   42   44   45   87                                       
CONECT   44   43   88   89   90                                       
CONECT   45   43   91   92   93                                       
CONECT   46   42   42   47   94                                       
CONECT   47   40   46                                                 
CONECT   48   19   19   20                                            
CONECT   49   19   50   50   95                                       
CONECT   50   22   49   49   51                                       
CONECT   51   50   52                                                 
CONECT   52   51   96   97   98                                       
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   18                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   36                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   49                                                      
CONECT   96   52                                                      
CONECT   97   52                                                      
CONECT   98   52                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
