COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.668  -1.215  -0.204  1.00  0.00           C  
HETATM    2  C   UNL     1       4.995  -0.652   0.237  1.00  0.00           C  
HETATM    3  C   UNL     1       4.771   0.682   0.953  1.00  0.00           C  
HETATM    4  C   UNL     1       6.822   2.114   0.852  1.00  0.00           C  
HETATM    5  C   UNL     1       7.722   1.113   3.267  1.00  0.00           C  
HETATM    6  C   UNL     1       8.017   2.564   1.385  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.045  -0.048  -0.960  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.029   1.466  -0.756  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.918   1.379  -2.847  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.137   2.329  -2.970  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.899  -2.817  -3.074  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.583   0.753   0.391  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.961  -1.431   1.544  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.046  -0.724  -1.864  1.00  0.00           C  
HETATM   15  C   UNL     1       6.075   1.167   1.530  1.00  0.00           C  
HETATM   16  C   UNL     1       6.526   0.668   2.737  1.00  0.00           C  
HETATM   17  C   UNL     1       8.466   2.063   2.593  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.365  -0.030   1.924  1.00  0.00           C  
HETATM   19  C   UNL     1       1.718  -3.541  -0.637  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.471  -3.029  -1.603  1.00  0.00           C  
HETATM   21  C   UNL     1       0.810  -3.807  -1.532  1.00  0.00           C  
HETATM   22  C   UNL     1       1.818  -2.272   2.788  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.887   0.142   1.776  1.00  0.00           C  
HETATM   24  C   UNL     1       3.195  -2.086   2.104  1.00  0.00           C  
HETATM   25  C   UNL     1       0.625  -1.383  -0.090  1.00  0.00           C  
HETATM   26  C   UNL     1       5.462   0.410  -1.906  1.00  0.00           C  
HETATM   27  C   UNL     1       6.341   0.627  -3.110  1.00  0.00           C  
HETATM   28  C   UNL     1       1.034  -3.056   1.703  1.00  0.00           C  
HETATM   29  C   UNL     1       1.571  -2.454   0.387  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.075   1.559   1.208  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.819   2.439   2.215  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.647   2.105   0.973  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.659   2.909  -0.271  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.049   2.812  -1.372  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.047   1.843  -1.824  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.786  -1.547  -2.944  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.755   0.950   0.990  1.00  0.00           N  
HETATM   38  N   UNL     1      -2.916   0.846  -1.467  1.00  0.00           N  
HETATM   39  N   UNL     1      -0.230  -1.665  -1.091  1.00  0.00           N  
HETATM   40  N   UNL     1       5.849  -0.440  -0.934  1.00  0.00           N  
HETATM   41  N   UNL     1       2.882  -1.860   0.681  1.00  0.00           N  
HETATM   42  O   UNL     1      -5.857  -2.379   2.489  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.731  -1.702   0.389  1.00  0.00           O  
HETATM   44  O   UNL     1       0.632  -0.283   0.422  1.00  0.00           O  
HETATM   45  O   UNL     1       3.306  -1.082  -1.354  1.00  0.00           O  
HETATM   46  O   UNL     1       4.406   0.999  -1.810  1.00  0.00           O  
HETATM   47  O   UNL     1      -2.065  -0.309   0.224  1.00  0.00           O  
HETATM   48  O   UNL     1      -3.890  -0.128   0.855  1.00  0.00           O  
HETATM   49 CL   UNL     1       6.257   2.743  -0.665  1.00  0.00          Cl  
HETATM   50  H   UNL     1       5.478  -1.353   0.918  1.00  0.00           H  
HETATM   51  H   UNL     1       4.392   1.416   0.242  1.00  0.00           H  
HETATM   52  H   UNL     1       4.046   0.546   1.756  1.00  0.00           H  
HETATM   53  H   UNL     1       8.074   0.723   4.211  1.00  0.00           H  
HETATM   54  H   UNL     1       8.599   3.305   0.858  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.652   2.415  -0.374  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.012   0.560  -3.561  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.995   1.929  -3.034  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.838   3.366  -2.816  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.629   2.205  -3.935  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.034  -2.629  -3.711  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.477  -3.665  -3.441  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.409   0.023  -2.337  1.00  0.00           H  
HETATM   63  H   UNL     1       5.945  -0.075   3.265  1.00  0.00           H  
HETATM   64  H   UNL     1       9.401   2.411   3.007  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.059   0.185   2.947  1.00  0.00           H  
HETATM   66  H   UNL     1       2.622  -4.132  -0.631  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.259  -3.529  -1.039  1.00  0.00           H  
HETATM   68  H   UNL     1       0.983  -4.606  -2.238  1.00  0.00           H  
HETATM   69  H   UNL     1       1.912  -2.858   3.702  1.00  0.00           H  
HETATM   70  H   UNL     1       1.349  -1.309   2.990  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.286  -0.600   1.084  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.374   0.054   2.747  1.00  0.00           H  
HETATM   73  H   UNL     1       3.712  -1.221   2.520  1.00  0.00           H  
HETATM   74  H   UNL     1       3.802  -2.983   2.223  1.00  0.00           H  
HETATM   75  H   UNL     1       5.866   1.342  -3.782  1.00  0.00           H  
HETATM   76  H   UNL     1       7.307   1.017  -2.790  1.00  0.00           H  
HETATM   77  H   UNL     1       6.485  -0.319  -3.631  1.00  0.00           H  
HETATM   78  H   UNL     1       1.257  -4.121   1.759  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.038  -2.882   1.800  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.623   1.518   0.266  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.885   3.456   1.829  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.822   2.043   2.371  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.278   2.443   3.162  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.385   2.761   1.802  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.330   3.755  -0.227  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.309   3.566  -2.100  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.563   0.939  -2.148  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.821  -1.003  -3.887  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.789  -1.809  -2.610  1.00  0.00           H  
HETATM   90  H   UNL     1       6.693  -0.912  -1.010  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.595  -3.263   2.197  1.00  0.00           H  
CONECT    1    2   45   45   41                                       
CONECT    2    3    1   40   50                                       
CONECT    3   15    2   51   52                                       
CONECT    4    6    6   15   49                                       
CONECT    5   17   17   16   53                                       
CONECT    6   17    4    4   54                                       
CONECT    7   38   47   47   14                                       
CONECT    8   35   12   38   55                                       
CONECT    9   10   38   56   57                                       
CONECT   10   35    9   58   59                                       
CONECT   11   36   20   60   61                                       
CONECT   12    8   37   48   48                                       
CONECT   13   43   43   18   42                                       
CONECT   14    7   36   39   62                                       
CONECT   15   16   16    4    3                                       
CONECT   16    5   15   15   63                                       
CONECT   17    5    5    6   64                                       
CONECT   18   37   23   13   65                                       
CONECT   19   29   21   21   66                                       
CONECT   20   39   11   21   67                                       
CONECT   21   20   19   19   68                                       
CONECT   22   24   28   69   70                                       
CONECT   23   30   18   71   72                                       
CONECT   24   41   22   73   74                                       
CONECT   25   44   44   39   29                                       
CONECT   26   40   27   46   46                                       
CONECT   27   26   75   76   77                                       
CONECT   28   22   29   78   79                                       
CONECT   29   25   41   28   19                                       
CONECT   30   31   32   23   80                                       
CONECT   31   30   81   82   83                                       
CONECT   32   33   30   37   84                                       
CONECT   33   34   34   32   85                                       
CONECT   34   33   33   35   86                                       
CONECT   35   34   10    8   87                                       
CONECT   36   14   11   88   89                                       
CONECT   37   32   12   18                                            
CONECT   38    9    8    7                                            
CONECT   39   14   25   20                                            
CONECT   40    2   26   90                                            
CONECT   41    1   24   29                                            
CONECT   42   13   91                                                 
CONECT   43   13   13                                                 
CONECT   44   25   25                                                 
CONECT   45    1    1                                                 
CONECT   46   26   26                                                 
CONECT   47    7    7                                                 
CONECT   48   12   12                                                 
CONECT   49    4                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   14                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   40                                                      
CONECT   91   42                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
