COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.054  -3.828   1.096  1.00  0.00           O  
HETATM    2  C   UNL     1       6.276   1.744  -2.590  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.566  -0.022   0.144  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.592  -0.320  -2.629  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.667  -2.683  -1.676  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.228   2.292  -1.293  1.00  0.00           O  
HETATM    7  C   UNL     1       3.081   3.231  -1.324  1.00  0.00           C  
HETATM    8  C   UNL     1       5.714  -2.847   0.245  1.00  0.00           C  
HETATM    9  C   UNL     1       1.095   2.256   0.675  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.645   0.643   0.913  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.945   0.222   0.277  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.658  -0.487  -1.048  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.946  -1.016  -1.624  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.484  -2.199  -1.147  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.777  -0.802  -3.153  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.316  -1.981  -2.674  1.00  0.00           C  
HETATM   17  C   UNL     1       6.433  -1.524   0.295  1.00  0.00           C  
HETATM   18  C   UNL     1       2.127   1.348   0.055  1.00  0.00           C  
HETATM   19  C   UNL     1       4.190   1.137  -1.349  1.00  0.00           C  
HETATM   20  C   UNL     1       4.351   3.351  -2.205  1.00  0.00           C  
HETATM   21  C   UNL     1       0.839   3.466   2.758  1.00  0.00           C  
HETATM   22  C   UNL     1       4.699  -0.011  -0.606  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.818   1.037   3.342  1.00  0.00           C  
HETATM   24  C   UNL     1       0.399   1.995   2.946  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.920   1.926   3.658  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.891  -2.379   2.047  1.00  0.00           C  
HETATM   27  C   UNL     1       7.924  -1.731  -0.006  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.247  -1.676   1.791  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.617   0.489   1.243  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.320   2.387  -0.775  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.172   3.604  -1.031  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.137  -1.307   2.880  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.624   0.018   2.259  1.00  0.00           C  
HETATM   34  C   UNL     1       8.215  -0.837  -1.227  1.00  0.00           C  
HETATM   35  C   UNL     1       6.816  -0.606  -1.857  1.00  0.00           C  
HETATM   36  C   UNL     1       6.875   0.636  -2.661  1.00  0.00           C  
HETATM   37  C   UNL     1       5.230   2.203  -1.669  1.00  0.00           C  
HETATM   38  C   UNL     1       5.319  -5.076   0.991  1.00  0.00           C  
HETATM   39  C   UNL     1       1.792   3.335   1.536  1.00  0.00           C  
HETATM   40  N   UNL     1       5.881  -0.615  -0.735  1.00  0.00           N  
HETATM   41  N   UNL     1       3.047   1.853  -0.791  1.00  0.00           N  
HETATM   42  N   UNL     1       0.227   1.486   1.571  1.00  0.00           N  
HETATM   43  N   UNL     1      -5.773   1.405   0.028  1.00  0.00           N  
HETATM   44  N   UNL     1      -2.905  -0.256   1.592  1.00  0.00           N  
HETATM   45  O   UNL     1       4.832  -3.025  -0.561  1.00  0.00           O  
HETATM   46  O   UNL     1      -3.265   1.790   0.813  1.00  0.00           O  
HETATM   47  O   UNL     1       2.130   0.164   0.318  1.00  0.00           O  
HETATM   48  O   UNL     1       3.956  -0.472   0.234  1.00  0.00           O  
HETATM   49 CL   UNL     1      -5.674  -3.074   0.115  1.00  0.00          Cl  
HETATM   50  H   UNL     1       6.585   2.474  -3.324  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.173   0.603  -3.001  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.086  -3.606  -1.304  1.00  0.00           H  
HETATM   53  H   UNL     1       3.131   3.946  -0.503  1.00  0.00           H  
HETATM   54  H   UNL     1       2.190   3.419  -1.925  1.00  0.00           H  
HETATM   55  H   UNL     1       0.498   2.730  -0.104  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.473  -0.458   0.945  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.210   0.218  -1.748  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.970  -1.315  -0.876  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.285  -0.254  -3.932  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.242  -2.357  -3.084  1.00  0.00           H  
HETATM   61  H   UNL     1       6.315  -1.077   1.282  1.00  0.00           H  
HETATM   62  H   UNL     1       3.860   0.745  -2.310  1.00  0.00           H  
HETATM   63  H   UNL     1       4.110   3.196  -3.257  1.00  0.00           H  
HETATM   64  H   UNL     1       4.837   4.315  -2.055  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.013   4.104   2.525  1.00  0.00           H  
HETATM   66  H   UNL     1       1.372   3.831   3.636  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.750   1.034   3.888  1.00  0.00           H  
HETATM   68  H   UNL     1       1.159   1.430   3.485  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.130   2.628   4.451  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.028  -3.295   2.622  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.373  -2.582   1.110  1.00  0.00           H  
HETATM   72  H   UNL     1       8.529  -1.419   0.845  1.00  0.00           H  
HETATM   73  H   UNL     1       8.120  -2.776  -0.246  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.721  -2.081   0.897  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.904  -1.793   2.653  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.802   3.430  -1.903  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.801   3.797  -0.161  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.530   4.465  -1.213  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.419  -1.367   3.931  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.059  -1.417   2.764  1.00  0.00           H  
HETATM   81  H   UNL     1       8.654   0.110  -0.912  1.00  0.00           H  
HETATM   82  H   UNL     1       8.874  -1.349  -1.929  1.00  0.00           H  
HETATM   83  H   UNL     1       6.584  -1.438  -2.522  1.00  0.00           H  
HETATM   84  H   UNL     1       7.577   0.582  -3.479  1.00  0.00           H  
HETATM   85  H   UNL     1       5.693   2.519  -0.733  1.00  0.00           H  
HETATM   86  H   UNL     1       5.693  -5.781   1.734  1.00  0.00           H  
HETATM   87  H   UNL     1       4.260  -4.889   1.167  1.00  0.00           H  
HETATM   88  H   UNL     1       5.453  -5.494  -0.007  1.00  0.00           H  
HETATM   89  H   UNL     1       2.780   2.999   1.851  1.00  0.00           H  
HETATM   90  H   UNL     1       1.857   4.278   0.994  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.647   1.480   0.442  1.00  0.00           H  
CONECT    1    8   38                                                 
CONECT    2   36   36   37   50                                       
CONECT    3   29   29                                                 
CONECT    4   15   13   13   51                                       
CONECT    5   16   14   14   52                                       
CONECT    6   30   30                                                 
CONECT    7   20   41   53   54                                       
CONECT    8   17    1   45   45                                       
CONECT    9   18   39   42   55                                       
CONECT   10   46   46   11   44                                       
CONECT   11   12   10   43   56                                       
CONECT   12   13   11   57   58                                       
CONECT   13    4    4   14   12                                       
CONECT   14    5    5   13   49                                       
CONECT   15   16   16    4   59                                       
CONECT   16   15   15    5   60                                       
CONECT   17   27   40    8   61                                       
CONECT   18   41    9   47   47                                       
CONECT   19   37   41   22   62                                       
CONECT   20   37    7   63   64                                       
CONECT   21   39   24   65   66                                       
CONECT   22   19   40   48   48                                       
CONECT   23   33   25   25   67                                       
CONECT   24   42   21   25   68                                       
CONECT   25   24   23   23   69                                       
CONECT   26   28   32   70   71                                       
CONECT   27   34   17   72   73                                       
CONECT   28   44   26   74   75                                       
CONECT   29    3    3   42   33                                       
CONECT   30   43    6    6   31                                       
CONECT   31   30   76   77   78                                       
CONECT   32   33   26   79   80                                       
CONECT   33   29   44   32   23                                       
CONECT   34   35   27   81   82                                       
CONECT   35   36   34   40   83                                       
CONECT   36    2    2   35   84                                       
CONECT   37    2   20   19   85                                       
CONECT   38    1   86   87   88                                       
CONECT   39    9   21   89   90                                       
CONECT   40   35   22   17                                            
CONECT   41    7   19   18                                            
CONECT   42    9   29   24                                            
CONECT   43   11   30   91                                            
CONECT   44   10   33   28                                            
CONECT   45    8    8                                                 
CONECT   46   10   10                                                 
CONECT   47   18   18                                                 
CONECT   48   22   22                                                 
CONECT   49   14                                                      
CONECT   50    2                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   43                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
