COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.498  -2.441   0.041  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.972  -2.925  -1.259  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.770  -4.177  -1.652  1.00  0.00           C  
HETATM    4  N   UNL     1       5.001   1.124   0.648  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.187  -3.573   0.659  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.272  -3.213   1.597  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.756  -2.127   1.994  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.435  -0.712   1.682  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.146  -1.858  -2.309  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.849   2.468   0.690  1.00  0.00           C  
HETATM   11  C   UNL     1       2.904   1.363  -0.549  1.00  0.00           C  
HETATM   12  C   UNL     1       4.168   0.554  -0.414  1.00  0.00           C  
HETATM   13  C   UNL     1       3.814  -0.892  -0.064  1.00  0.00           C  
HETATM   14  C   UNL     1       5.066  -1.730  -0.061  1.00  0.00           C  
HETATM   15  C   UNL     1       5.703  -2.020   1.133  1.00  0.00           C  
HETATM   16  C   UNL     1       5.576  -2.215  -1.251  1.00  0.00           C  
HETATM   17  C   UNL     1       6.725  -2.984  -1.249  1.00  0.00           C  
HETATM   18  C   UNL     1       7.364  -3.269  -0.058  1.00  0.00           C  
HETATM   19  C   UNL     1       6.853  -2.789   1.134  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.898   1.422   0.412  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.944  -0.456   1.579  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.062   0.205   2.736  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.507   4.811   0.177  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.288  -1.214   0.488  1.00  0.00           C  
HETATM   25  C   UNL     1       1.189   3.510  -1.911  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.046   3.940  -1.014  1.00  0.00           C  
HETATM   27  C   UNL     1       0.308   4.375  -1.494  1.00  0.00           C  
HETATM   28  C   UNL     1       1.156   0.264  -3.587  1.00  0.00           C  
HETATM   29  C   UNL     1       2.511   0.485  -2.869  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.111   1.634  -0.941  1.00  0.00           C  
HETATM   31  C   UNL     1       4.544   1.163   1.915  1.00  0.00           C  
HETATM   32  C   UNL     1       5.400   1.749   3.008  1.00  0.00           C  
HETATM   33  C   UNL     1       0.456   1.630  -3.360  1.00  0.00           C  
HETATM   34  C   UNL     1       0.935   2.032  -1.949  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.802  -4.366  -0.521  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.822   1.669   2.363  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.313   1.934   2.339  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.514   3.852   0.873  1.00  0.00           C  
HETATM   39  N   UNL     1      -3.691   0.982   1.409  1.00  0.00           N  
HETATM   40  N   UNL     1      -0.939   2.578  -0.454  1.00  0.00           N  
HETATM   41  N   UNL     1       2.182   1.300  -1.685  1.00  0.00           N  
HETATM   42  O   UNL     1      -3.653  -0.801  -2.017  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.737  -2.082  -3.568  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.206   0.483  -0.573  1.00  0.00           O  
HETATM   45  O   UNL     1       2.536   2.070   0.365  1.00  0.00           O  
HETATM   46  O   UNL     1       3.442   0.727   2.176  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.029   0.977  -0.708  1.00  0.00           O  
HETATM   48  O   UNL     1      -2.425  -0.600  -0.103  1.00  0.00           O  
HETATM   49 CL   UNL     1       5.060  -1.417   2.628  1.00  0.00          Cl  
HETATM   50  H   UNL     1      -1.916  -3.177  -1.159  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.277  -4.019  -2.604  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.110  -5.043  -1.714  1.00  0.00           H  
HETATM   53  H   UNL     1       5.882   1.472   0.440  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.459  -4.200   1.174  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.753  -4.074   2.036  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.564  -2.243   2.700  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.888  -0.466   0.722  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.289   2.203   1.586  1.00  0.00           H  
HETATM   59  H   UNL     1       4.716   0.576  -1.356  1.00  0.00           H  
HETATM   60  H   UNL     1       3.353  -0.925   0.924  1.00  0.00           H  
HETATM   61  H   UNL     1       3.115  -1.285  -0.803  1.00  0.00           H  
HETATM   62  H   UNL     1       5.076  -1.993  -2.183  1.00  0.00           H  
HETATM   63  H   UNL     1       7.122  -3.362  -2.179  1.00  0.00           H  
HETATM   64  H   UNL     1       8.262  -3.870  -0.057  1.00  0.00           H  
HETATM   65  H   UNL     1       7.351  -3.014   2.065  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.482  -0.760   2.518  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.134   0.016   2.788  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.611   0.002   3.707  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.672   5.049   0.836  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.003   5.718  -0.168  1.00  0.00           H  
HETATM   71  H   UNL     1       2.149   3.875  -2.244  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.774   3.978  -1.825  1.00  0.00           H  
HETATM   73  H   UNL     1       0.557   5.425  -1.494  1.00  0.00           H  
HETATM   74  H   UNL     1       1.305   0.073  -4.650  1.00  0.00           H  
HETATM   75  H   UNL     1       0.595  -0.546  -3.122  1.00  0.00           H  
HETATM   76  H   UNL     1       2.940  -0.470  -2.565  1.00  0.00           H  
HETATM   77  H   UNL     1       3.203   1.021  -3.520  1.00  0.00           H  
HETATM   78  H   UNL     1       5.623   2.790   2.776  1.00  0.00           H  
HETATM   79  H   UNL     1       4.867   1.694   3.957  1.00  0.00           H  
HETATM   80  H   UNL     1       6.331   1.186   3.081  1.00  0.00           H  
HETATM   81  H   UNL     1       0.783   2.359  -4.101  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.628   1.516  -3.384  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.766  -3.946  -0.806  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.902  -5.421  -0.265  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.244   1.868   1.378  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.295   2.316   3.102  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.124   2.953   2.002  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.899   1.794   3.338  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.484   3.884   0.377  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.612   4.096   1.931  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.869  -1.368  -4.206  1.00  0.00           H  
CONECT    1   24    5    2                                            
CONECT    2    9    1    3   50                                       
CONECT    3   35    2   51   52                                       
CONECT    4   12   31   53                                            
CONECT    5    6   35    1   54                                       
CONECT    6    7    7    5   55                                       
CONECT    7    8    6    6   56                                       
CONECT    8   22    7   21   57                                       
CONECT    9   42   42   43    2                                       
CONECT   10   20   38   40   58                                       
CONECT   11   45   45   41   12                                       
CONECT   12   13   11    4   59                                       
CONECT   13   14   12   60   61                                       
CONECT   14   13   16   16   15                                       
CONECT   15   14   19   19   49                                       
CONECT   16   14   14   17   62                                       
CONECT   17   16   18   18   63                                       
CONECT   18   17   17   19   64                                       
CONECT   19   15   15   18   65                                       
CONECT   20   39   10   47   47                                       
CONECT   21    8   24   39   66                                       
CONECT   22   36    8   67   68                                       
CONECT   23   38   26   69   70                                       
CONECT   24   48   48   21    1                                       
CONECT   25   27   27   34   71                                       
CONECT   26   23   40   27   72                                       
CONECT   27   26   25   25   73                                       
CONECT   28   33   29   74   75                                       
CONECT   29   41   28   76   77                                       
CONECT   30   40   44   44   34                                       
CONECT   31    4   32   46   46                                       
CONECT   32   31   78   79   80                                       
CONECT   33   34   28   81   82                                       
CONECT   34   30   25   41   33                                       
CONECT   35    5    3   83   84                                       
CONECT   36   22   37   85   86                                       
CONECT   37   36   39   87   88                                       
CONECT   38   10   23   89   90                                       
CONECT   39   37   21   20                                            
CONECT   40   10   26   30                                            
CONECT   41   34   11   29                                            
CONECT   42    9    9                                                 
CONECT   43    9   91                                                 
CONECT   44   30   30                                                 
CONECT   45   11   11                                                 
CONECT   46   31   31                                                 
CONECT   47   20   20                                                 
CONECT   48   24   24                                                 
CONECT   49   15                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58   10                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   43                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
