COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.417   0.750  -1.437  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.901   1.530  -1.624  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.820   0.925  -0.530  1.00  0.00           C  
HETATM    4  C   UNL     1       1.375   1.556  -0.597  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.094   1.159   0.115  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.513   1.287   2.393  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.862   1.407   2.220  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.380   1.400   0.907  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.470   1.277  -0.173  1.00  0.00           C  
HETATM   10  C   UNL     1       2.643   3.591  -0.165  1.00  0.00           C  
HETATM   11  C   UNL     1       4.008   3.032   0.144  1.00  0.00           C  
HETATM   12  C   UNL     1       3.767   5.931  -0.123  1.00  0.00           C  
HETATM   13  C   UNL     1       4.201   6.689  -1.100  1.00  0.00           C  
HETATM   14  N   UNL     1       4.675   2.326  -0.790  1.00  0.00           N  
HETATM   15  C   UNL     1       6.059   0.641   0.876  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.752   1.519   0.646  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.193   1.505  -0.643  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.298   1.396  -1.707  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.957   1.278  -1.487  1.00  0.00           C  
HETATM   20  C   UNL     1       0.970  -1.459  -0.387  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.369  -0.557  -0.529  1.00  0.00           C  
HETATM   22  N   UNL     1       0.087  -0.508  -0.752  1.00  0.00           N  
HETATM   23  O   UNL     1      -3.197   1.041  -0.895  1.00  0.00           O  
HETATM   24  O   UNL     1       1.761   1.121   0.467  1.00  0.00           O  
HETATM   25  N   UNL     1       1.801   2.759  -1.029  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.682   1.169   1.365  1.00  0.00           N  
HETATM   27  C   UNL     1       2.517   5.109  -0.306  1.00  0.00           C  
HETATM   28  C   UNL     1       1.948   4.404   0.928  1.00  0.00           C  
HETATM   29  O   UNL     1       4.506   3.217   1.235  1.00  0.00           O  
HETATM   30  S   UNL     1       6.223   1.817  -0.495  1.00  0.00           S  
HETATM   31  O   UNL     1       6.604   1.143  -1.687  1.00  0.00           O  
HETATM   32  O   UNL     1       6.902   2.990  -0.067  1.00  0.00           O  
HETATM   33  C   UNL     1       7.336  -0.022   1.396  1.00  0.00           C  
HETATM   34  C   UNL     1       6.332  -0.835   0.578  1.00  0.00           C  
HETATM   35  O   UNL     1       2.159  -1.277  -0.549  1.00  0.00           O  
HETATM   36  C   UNL     1       0.481  -2.748   0.221  1.00  0.00           C  
HETATM   37  C   UNL     1       0.610  -2.674   1.744  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.238  -1.515   2.272  1.00  0.00           C  
HETATM   39  C   UNL     1       0.121  -3.986   2.362  1.00  0.00           C  
HETATM   40  C   UNL     1       2.075  -2.447   2.122  1.00  0.00           C  
HETATM   41  N   UNL     1       1.287  -3.862  -0.283  1.00  0.00           N  
HETATM   42  C   UNL     1       0.773  -5.108  -0.308  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.358  -5.307   0.087  1.00  0.00           O  
HETATM   44  O   UNL     1       1.514  -6.133  -0.772  1.00  0.00           O  
HETATM   45  C   UNL     1       0.896  -7.446  -0.770  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.361  -7.420  -1.642  1.00  0.00           C  
HETATM   47  C   UNL     1       1.882  -8.475  -1.327  1.00  0.00           C  
HETATM   48  C   UNL     1       0.516  -7.829   0.662  1.00  0.00           C  
HETATM   49  O   UNL     1      -6.690   1.527   3.292  1.00  0.00           O  
HETATM   50  C   UNL     1      -6.083   1.520   4.585  1.00  0.00           C  
HETATM   51 CL   UNL     1      -7.902   1.381  -3.334  1.00  0.00          Cl  
HETATM   52  H   UNL     1       0.864   0.539  -2.409  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.747   2.595  -1.452  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.316   1.354  -2.616  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.634   1.391   0.438  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.110   1.293   3.395  1.00  0.00           H  
HETATM   57  H   UNL     1       4.305   5.895   0.813  1.00  0.00           H  
HETATM   58  H   UNL     1       5.096   7.278  -0.969  1.00  0.00           H  
HETATM   59  H   UNL     1       3.663   6.724  -2.035  1.00  0.00           H  
HETATM   60  H   UNL     1       4.249   2.117  -1.636  1.00  0.00           H  
HETATM   61  H   UNL     1       5.280   0.872   1.603  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.454   1.620   1.460  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.250   1.596  -0.845  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.276   1.186  -2.320  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.590  -1.020   0.433  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.858  -1.103  -1.335  1.00  0.00           H  
HETATM   67  H   UNL     1       1.551   3.075  -1.911  1.00  0.00           H  
HETATM   68  H   UNL     1       1.807   5.489  -1.040  1.00  0.00           H  
HETATM   69  H   UNL     1       0.864   4.320   1.005  1.00  0.00           H  
HETATM   70  H   UNL     1       2.478   4.534   1.872  1.00  0.00           H  
HETATM   71  H   UNL     1       8.276   0.249   0.914  1.00  0.00           H  
HETATM   72  H   UNL     1       7.398  -0.227   2.465  1.00  0.00           H  
HETATM   73  H   UNL     1       5.732  -1.575   1.108  1.00  0.00           H  
HETATM   74  H   UNL     1       6.610  -1.099  -0.442  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.563  -2.903  -0.048  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.292  -1.718   2.078  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.081  -1.408   3.345  1.00  0.00           H  
HETATM   78  H   UNL     1       0.053  -0.593   1.768  1.00  0.00           H  
HETATM   79  H   UNL     1       0.726  -4.811   1.986  1.00  0.00           H  
HETATM   80  H   UNL     1       0.213  -3.933   3.447  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.922  -4.147   2.092  1.00  0.00           H  
HETATM   82  H   UNL     1       2.423  -1.512   1.682  1.00  0.00           H  
HETATM   83  H   UNL     1       2.166  -2.394   3.207  1.00  0.00           H  
HETATM   84  H   UNL     1       2.679  -3.272   1.746  1.00  0.00           H  
HETATM   85  H   UNL     1       2.191  -3.704  -0.599  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.090  -7.148  -2.662  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.825  -8.407  -1.640  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.064  -6.688  -1.245  1.00  0.00           H  
HETATM   89  H   UNL     1       2.778  -8.493  -0.706  1.00  0.00           H  
HETATM   90  H   UNL     1       1.418  -9.461  -1.326  1.00  0.00           H  
HETATM   91  H   UNL     1       2.153  -8.202  -2.348  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.187  -7.096   1.059  1.00  0.00           H  
HETATM   93  H   UNL     1       0.052  -8.815   0.663  1.00  0.00           H  
HETATM   94  H   UNL     1       1.411  -7.848   1.283  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.854   1.622   5.349  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.549   0.581   4.731  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.383   2.352   4.662  1.00  0.00           H  
CONECT    1    2    4   22   52                                       
CONECT    2    1    3   53   54                                       
CONECT    3    2   21   23   55                                       
CONECT    4    1   24   24   25                                       
CONECT    5    9    9   23   26                                       
CONECT    6    7   26   26   56                                       
CONECT    7    6    8    8   49                                       
CONECT    8    7    7    9   16                                       
CONECT    9    5    5    8   19                                       
CONECT   10   11   25   27   28                                       
CONECT   11   10   14   29   29                                       
CONECT   12   13   13   27   57                                       
CONECT   13   12   12   58   59                                       
CONECT   14   11   30   60                                            
CONECT   15   30   33   34   61                                       
CONECT   16    8   17   17   62                                       
CONECT   17   16   16   18   63                                       
CONECT   18   17   19   19   51                                       
CONECT   19    9   18   18   64                                       
CONECT   20   22   35   35   36                                       
CONECT   21    3   22   65   66                                       
CONECT   22    1   20   21                                            
CONECT   23    3    5                                                 
CONECT   24    4    4                                                 
CONECT   25    4   10   67                                            
CONECT   26    5    6    6                                            
CONECT   27   10   12   28   68                                       
CONECT   28   10   27   69   70                                       
CONECT   29   11   11                                                 
CONECT   30   14   15   31   31                                       
CONECT   30   32   32                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   15   34   71   72                                       
CONECT   34   15   33   73   74                                       
CONECT   35   20   20                                                 
CONECT   36   20   37   41   75                                       
CONECT   37   36   38   39   40                                       
CONECT   38   37   76   77   78                                       
CONECT   39   37   79   80   81                                       
CONECT   40   37   82   83   84                                       
CONECT   41   36   42   85                                            
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45                                                 
CONECT   45   44   46   47   48                                       
CONECT   46   45   86   87   88                                       
CONECT   47   45   89   90   91                                       
CONECT   48   45   92   93   94                                       
CONECT   49    7   50                                                 
CONECT   50   49   95   96   97                                       
CONECT   51   18                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    6                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   50                                                      
CONECT   96   50                                                      
CONECT   97   50                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
