COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.811  -0.390  -0.909  1.00  0.00           C  
HETATM    2  C   UNL     1       6.497  -1.587  -1.044  1.00  0.00           C  
HETATM    3  C   UNL     1       7.881  -1.557  -1.084  1.00  0.00           C  
HETATM    4  N   UNL     1       8.505  -0.394  -0.992  1.00  0.00           N  
HETATM    5  N   UNL     1       6.496   0.739  -0.822  1.00  0.00           N  
HETATM    6  C   UNL     1       9.969   1.945  -0.814  1.00  0.00           C  
HETATM    7  N   UNL     1       8.505   1.932  -0.770  1.00  0.00           N  
HETATM    8  C   UNL     1       7.820   0.733  -0.864  1.00  0.00           C  
HETATM    9  C   UNL     1       4.305  -0.373  -0.867  1.00  0.00           C  
HETATM   10  N   UNL     1       3.856  -0.352   0.528  1.00  0.00           N  
HETATM   11  C   UNL     1       3.777  -1.600   1.291  1.00  0.00           C  
HETATM   12  C   UNL     1       2.727  -2.517   0.661  1.00  0.00           C  
HETATM   13  C   UNL     1       1.355  -1.839   0.717  1.00  0.00           C  
HETATM   14  C   UNL     1       0.299  -2.786   0.141  1.00  0.00           C  
HETATM   15  N   UNL     1       0.281  -4.031   0.919  1.00  0.00           N  
HETATM   16  C   UNL     1       1.573  -4.724   0.842  1.00  0.00           C  
HETATM   17  C   UNL     1       2.667  -3.835   1.438  1.00  0.00           C  
HETATM   18  S   UNL     1       3.437   1.083   1.241  1.00  0.00           S  
HETATM   19  O   UNL     1       3.589   0.895   2.641  1.00  0.00           O  
HETATM   20  O   UNL     1       4.110   2.103   0.516  1.00  0.00           O  
HETATM   21  C   UNL     1       1.714   1.323   0.956  1.00  0.00           C  
HETATM   22  C   UNL     1       1.288   1.992  -0.177  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.063   2.176  -0.403  1.00  0.00           C  
HETATM   24  C   UNL     1       0.790   0.839   1.862  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.561   1.028   1.638  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.988   1.691   0.503  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.710   1.927   0.215  1.00  0.00           S  
HETATM   28  O   UNL     1      -3.344   1.850   1.485  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.823   3.054  -0.643  1.00  0.00           O  
HETATM   30  N   UNL     1      -3.245   0.622  -0.654  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.217   0.656  -2.118  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.652   0.633  -2.673  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.770  -0.641  -3.535  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.673  -1.581  -2.977  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.513  -0.603  -2.663  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.745  -0.566   0.042  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.237  -0.452   0.221  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.753   0.281   1.274  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.121   0.391   1.435  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.975  -0.234   0.543  1.00  0.00           C  
HETATM   41 CL   UNL     1      -9.694  -0.096   0.744  1.00  0.00          Cl  
HETATM   42  C   UNL     1      -7.458  -0.967  -0.511  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.090  -1.076  -0.671  1.00  0.00           C  
HETATM   44  H   UNL     1       5.963  -2.523  -1.116  1.00  0.00           H  
HETATM   45  H   UNL     1       8.445  -2.473  -1.188  1.00  0.00           H  
HETATM   46  H   UNL     1      10.363   1.352   0.011  1.00  0.00           H  
HETATM   47  H   UNL     1      10.308   1.522  -1.760  1.00  0.00           H  
HETATM   48  H   UNL     1      10.326   2.972  -0.727  1.00  0.00           H  
HETATM   49  H   UNL     1       8.015   2.764  -0.676  1.00  0.00           H  
HETATM   50  H   UNL     1       3.937   0.515  -1.381  1.00  0.00           H  
HETATM   51  H   UNL     1       3.918  -1.265  -1.360  1.00  0.00           H  
HETATM   52  H   UNL     1       4.747  -2.096   1.278  1.00  0.00           H  
HETATM   53  H   UNL     1       3.496  -1.379   2.321  1.00  0.00           H  
HETATM   54  H   UNL     1       2.993  -2.718  -0.376  1.00  0.00           H  
HETATM   55  H   UNL     1       1.107  -1.603   1.752  1.00  0.00           H  
HETATM   56  H   UNL     1       1.380  -0.920   0.130  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.680  -2.311   0.192  1.00  0.00           H  
HETATM   58  H   UNL     1       0.540  -3.010  -0.898  1.00  0.00           H  
HETATM   59  H   UNL     1       0.022  -3.855   1.878  1.00  0.00           H  
HETATM   60  H   UNL     1       1.519  -5.658   1.402  1.00  0.00           H  
HETATM   61  H   UNL     1       1.808  -4.939  -0.200  1.00  0.00           H  
HETATM   62  H   UNL     1       3.628  -4.344   1.367  1.00  0.00           H  
HETATM   63  H   UNL     1       2.440  -3.631   2.485  1.00  0.00           H  
HETATM   64  H   UNL     1       2.010   2.370  -0.885  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.396   2.698  -1.287  1.00  0.00           H  
HETATM   66  H   UNL     1       1.123   0.313   2.744  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.284   0.649   2.346  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.699   1.552  -2.461  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.369   0.596  -1.853  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.830   1.516  -3.286  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.755  -1.092  -3.417  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.580  -0.410  -4.584  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.015  -2.078  -2.070  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.372  -2.312  -3.727  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.957  -0.367  -3.570  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.851  -1.027  -1.907  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.517  -1.454  -0.546  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.267  -0.643   1.019  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.087   0.768   1.970  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.524   0.963   2.258  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.124  -1.454  -1.207  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.686  -1.644  -1.496  1.00  0.00           H  
CONECT    1    9    5    5    2                                       
CONECT    2    1    3    3   44                                       
CONECT    3    2    2    4   45                                       
CONECT    4    8    8    3                                            
CONECT    5    1    1    8                                            
CONECT    6    7   46   47   48                                       
CONECT    7    8    6   49                                            
CONECT    8    5    7    4    4                                       
CONECT    9   10    1   50   51                                       
CONECT   10   11    9   18                                            
CONECT   11   12   10   52   53                                       
CONECT   12   13   11   17   54                                       
CONECT   13   14   12   55   56                                       
CONECT   14   13   15   57   58                                       
CONECT   15   14   16   59                                            
CONECT   16   15   17   60   61                                       
CONECT   17   12   16   62   63                                       
CONECT   18   21   10   20   20                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   22   22   24   18                                       
CONECT   22   23   21   21   64                                       
CONECT   23   26   26   22   65                                       
CONECT   24   25   25   21   66                                       
CONECT   25   26   24   24   67                                       
CONECT   26   27   23   23   25                                       
CONECT   27   28   28   29   29                                       
CONECT   27   30   26                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   36   31                                            
CONECT   31   30   35   32   68                                       
CONECT   32   31   33   69   70                                       
CONECT   33   32   34   71   72                                       
CONECT   34   35   33   73   74                                       
CONECT   35   31   34   75   76                                       
CONECT   36   37   30   77   78                                       
CONECT   37   38   38   43   36                                       
CONECT   38   39   37   37   79                                       
CONECT   39   40   40   38   80                                       
CONECT   40   41   39   39   42                                       
CONECT   41   40                                                      
CONECT   42   40   43   43   81                                       
CONECT   43   42   42   37   82                                       
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
