COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.470   2.573   0.683  1.00  0.00           C  
HETATM    2  C   UNL     1       6.682   1.754   1.043  1.00  0.00           C  
HETATM    3  C   UNL     1       5.623  -0.865   1.337  1.00  0.00           C  
HETATM    4  C   UNL     1       5.259  -2.163   0.665  1.00  0.00           C  
HETATM    5  C   UNL     1       4.162  -2.797   1.001  1.00  0.00           C  
HETATM    6  C   UNL     1       3.812  -4.090   0.313  1.00  0.00           C  
HETATM    7  O   UNL     1       1.830  -3.877  -1.426  1.00  0.00           O  
HETATM    8  C   UNL     1       1.510  -4.357  -0.359  1.00  0.00           C  
HETATM    9  C   UNL     1       0.099  -4.833  -0.134  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.805  -4.303  -1.245  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.660  -2.026  -1.214  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.569  -0.952  -0.677  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.029  -1.359  -0.887  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.933  -0.326  -0.264  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.890  -1.764  -2.114  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.397   1.097   0.485  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.368   0.753  -1.010  1.00  0.00           C  
HETATM   18  N   UNL     1       2.425  -4.470   0.641  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.197   1.700  -0.439  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.592   1.567   0.880  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.157   0.486   1.627  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.332  -0.463   1.053  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.671   1.280  -0.682  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.332   2.588  -1.351  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.336   3.358  -0.481  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.694  -3.272  -0.707  1.00  0.00           N  
HETATM   27  C   UNL     1       2.039   4.904  -0.338  1.00  0.00           C  
HETATM   28  C   UNL     1       3.250   4.083   0.025  1.00  0.00           C  
HETATM   29  C   UNL     1       3.558   3.851   1.352  1.00  0.00           C  
HETATM   30  C   UNL     1       4.669   3.096   1.681  1.00  0.00           C  
HETATM   31  C   UNL     1       4.055   3.566  -0.973  1.00  0.00           C  
HETATM   32  C   UNL     1       5.163   2.807  -0.644  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.622  -3.602   0.381  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.290   0.304  -1.410  1.00  0.00           N  
HETATM   35  S   UNL     1       6.605   0.150   0.199  1.00  0.00           S  
HETATM   36 CL   UNL     1      -7.627   2.760   1.600  1.00  0.00          Cl  
HETATM   37  S   UNL     1       1.018   3.977  -1.516  1.00  0.00           S  
HETATM   38  C   UNL     1      -1.911  -4.566   1.338  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.401  -4.345   1.222  1.00  0.00           C  
HETATM   40  H   UNL     1       7.584   2.283   0.735  1.00  0.00           H  
HETATM   41  H   UNL     1       6.706   1.595   2.122  1.00  0.00           H  
HETATM   42  H   UNL     1       4.714  -0.329   1.610  1.00  0.00           H  
HETATM   43  H   UNL     1       6.206  -1.072   2.235  1.00  0.00           H  
HETATM   44  H   UNL     1       5.903  -2.574  -0.099  1.00  0.00           H  
HETATM   45  H   UNL     1       3.518  -2.392   1.766  1.00  0.00           H  
HETATM   46  H   UNL     1       3.909  -3.965  -0.765  1.00  0.00           H  
HETATM   47  H   UNL     1       4.491  -4.874   0.650  1.00  0.00           H  
HETATM   48  H   UNL     1       0.086  -5.928  -0.157  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.191  -3.875  -2.038  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.401  -5.121  -1.649  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.378  -0.807   0.387  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.237  -1.426  -1.955  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.207  -2.327  -0.421  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.059   0.857  -2.040  1.00  0.00           H  
HETATM   55  H   UNL     1       2.177  -4.784   1.525  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.536   2.543  -1.022  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.465   0.382   2.657  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.993  -1.306   1.635  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.889   2.393  -2.327  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.240   3.179  -1.474  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.842   4.197  -0.005  1.00  0.00           H  
HETATM   62  H   UNL     1       0.066   2.694   0.285  1.00  0.00           H  
HETATM   63  H   UNL     1       1.459   5.114   0.560  1.00  0.00           H  
HETATM   64  H   UNL     1       2.359   5.843  -0.792  1.00  0.00           H  
HETATM   65  H   UNL     1       2.929   4.254   2.132  1.00  0.00           H  
HETATM   66  H   UNL     1       4.910   2.914   2.718  1.00  0.00           H  
HETATM   67  H   UNL     1       3.813   3.747  -2.010  1.00  0.00           H  
HETATM   68  H   UNL     1       5.788   2.398  -1.423  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.901  -2.693   0.914  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.513  -4.078  -0.027  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.530   0.425  -2.342  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.232  -4.368   2.361  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.155  -5.594   1.070  1.00  0.00           H  
HETATM   74  H   UNL     1       0.106  -4.896   2.013  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.182  -3.283   1.326  1.00  0.00           H  
CONECT    1   32   32   30    2                                       
CONECT    2   35    1   40   41                                       
CONECT    3    4   35   42   43                                       
CONECT    4    5    5    3   44                                       
CONECT    5    6    4    4   45                                       
CONECT    6   18    5   46   47                                       
CONECT    7    8    8                                                 
CONECT    8   18    9    7    7                                       
CONECT    9   10    8   39   48                                       
CONECT   10   26    9   49   50                                       
CONECT   11   12   15   15   26                                       
CONECT   12   13   34   11   51                                       
CONECT   13   14   12   52   53                                       
CONECT   14   22   22   17   13                                       
CONECT   15   11   11                                                 
CONECT   16   23   23                                                 
CONECT   17   19   19   14   54                                       
CONECT   18    6    8   55                                            
CONECT   19   20   17   17   56                                       
CONECT   20   36   21   21   19                                       
CONECT   21   20   20   22   57                                       
CONECT   22   21   14   14   58                                       
CONECT   23   34   24   16   16                                       
CONECT   24   23   25   59   60                                       
CONECT   25   24   37   61   62                                       
CONECT   26   11   10   33                                            
CONECT   27   37   28   63   64                                       
CONECT   28   27   31   31   29                                       
CONECT   29   28   30   30   65                                       
CONECT   30   29   29    1   66                                       
CONECT   31   28   28   32   67                                       
CONECT   32   31    1    1   68                                       
CONECT   33   26   38   69   70                                       
CONECT   34   12   23   71                                            
CONECT   35    3    2                                                 
CONECT   36   20                                                      
CONECT   37   25   27                                                 
CONECT   38   33   39   72   73                                       
CONECT   39    9   38   74   75                                       
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
