COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.904   3.744  -0.950  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.102  -1.502   2.817  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.509   0.257   1.165  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.130   2.472  -0.718  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.263  -1.725   1.791  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.950  -2.518   2.007  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.516  -0.146   2.210  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.624   1.522   0.100  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.872   0.285   0.326  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.528   0.616   0.923  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.074   1.735   0.810  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.673  -0.441  -1.006  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.011  -0.880  -1.543  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.616  -2.021  -1.045  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.636  -0.141  -2.529  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.844  -2.424  -1.539  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.864  -0.544  -3.022  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.466  -1.687  -2.529  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.608   0.883   3.298  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.639   1.702   3.591  1.00  0.00           C  
HETATM   21  C   UNL     1       0.663   1.673   2.845  1.00  0.00           C  
HETATM   22  C   UNL     1       1.212   3.105   2.652  1.00  0.00           C  
HETATM   23  C   UNL     1       2.117   2.909   1.403  1.00  0.00           C  
HETATM   24  C   UNL     1       1.314   1.895   0.556  1.00  0.00           C  
HETATM   25  C   UNL     1       2.253   0.916  -0.101  1.00  0.00           C  
HETATM   26  C   UNL     1       4.238   0.557  -1.586  1.00  0.00           C  
HETATM   27  C   UNL     1       4.701  -0.614  -0.847  1.00  0.00           C  
HETATM   28  C   UNL     1       6.378  -2.224  -0.001  1.00  0.00           C  
HETATM   29  C   UNL     1       6.335  -1.582   1.362  1.00  0.00           C  
HETATM   30  C   UNL     1       7.831  -2.546  -0.377  1.00  0.00           C  
HETATM   31  C   UNL     1       8.122  -1.689  -1.625  1.00  0.00           C  
HETATM   32  C   UNL     1       6.712  -1.362  -2.183  1.00  0.00           C  
HETATM   33  C   UNL     1       6.818  -0.137  -3.008  1.00  0.00           C  
HETATM   34  C   UNL     1       6.304   1.013  -2.919  1.00  0.00           C  
HETATM   35  C   UNL     1       5.335   1.549  -1.956  1.00  0.00           C  
HETATM   36  C   UNL     1       4.515   2.753  -2.462  1.00  0.00           C  
HETATM   37  C   UNL     1       3.278   2.725  -1.528  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.832  -0.331   1.581  1.00  0.00           N  
HETATM   39  N   UNL     1       0.415   1.186   1.473  1.00  0.00           N  
HETATM   40  N   UNL     1       3.170   1.353  -0.987  1.00  0.00           N  
HETATM   41  N   UNL     1       5.841  -1.287  -1.012  1.00  0.00           N  
HETATM   42  O   UNL     1      -4.062   2.303  -1.267  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.530  -0.248   0.063  1.00  0.00           O  
HETATM   44  O   UNL     1       2.184  -0.265   0.168  1.00  0.00           O  
HETATM   45  O   UNL     1       3.961  -1.024   0.022  1.00  0.00           O  
HETATM   46  O   UNL     1       5.904  -0.461   1.489  1.00  0.00           O  
HETATM   47 CL   UNL     1      -5.834  -2.947   0.198  1.00  0.00          Cl  
HETATM   48  H   UNL     1      -6.830   3.715  -0.377  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.305   4.597  -0.630  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.135   3.840  -2.010  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.356  -1.545   3.876  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.037  -1.683   2.667  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.790  -2.096   0.912  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.901  -1.797   2.672  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.474  -2.753   1.055  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.132  -3.424   2.586  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.478   1.657   0.540  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.425  -0.357   1.011  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.199   0.232  -1.720  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.039  -1.314  -0.853  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.167   0.752  -2.915  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.316  -3.314  -1.151  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.352   0.034  -3.792  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.425  -2.001  -2.914  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.524   0.948   3.866  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.775   2.417   4.389  1.00  0.00           H  
HETATM   67  H   UNL     1       1.390   1.046   3.361  1.00  0.00           H  
HETATM   68  H   UNL     1       0.407   3.810   2.446  1.00  0.00           H  
HETATM   69  H   UNL     1       1.797   3.421   3.516  1.00  0.00           H  
HETATM   70  H   UNL     1       2.242   3.848   0.865  1.00  0.00           H  
HETATM   71  H   UNL     1       3.085   2.497   1.688  1.00  0.00           H  
HETATM   72  H   UNL     1       0.733   2.421  -0.201  1.00  0.00           H  
HETATM   73  H   UNL     1       3.843   0.179  -2.529  1.00  0.00           H  
HETATM   74  H   UNL     1       5.787  -3.139   0.004  1.00  0.00           H  
HETATM   75  H   UNL     1       8.503  -2.272   0.436  1.00  0.00           H  
HETATM   76  H   UNL     1       7.935  -3.606  -0.613  1.00  0.00           H  
HETATM   77  H   UNL     1       8.646  -0.775  -1.347  1.00  0.00           H  
HETATM   78  H   UNL     1       8.700  -2.257  -2.353  1.00  0.00           H  
HETATM   79  H   UNL     1       6.383  -2.182  -2.821  1.00  0.00           H  
HETATM   80  H   UNL     1       7.470  -0.250  -3.861  1.00  0.00           H  
HETATM   81  H   UNL     1       6.630   1.714  -3.673  1.00  0.00           H  
HETATM   82  H   UNL     1       5.861   1.849  -1.050  1.00  0.00           H  
HETATM   83  H   UNL     1       5.073   3.681  -2.339  1.00  0.00           H  
HETATM   84  H   UNL     1       4.220   2.611  -3.501  1.00  0.00           H  
HETATM   85  H   UNL     1       3.413   3.435  -0.713  1.00  0.00           H  
HETATM   86  H   UNL     1       2.381   2.974  -2.094  1.00  0.00           H  
HETATM   87  O   UNL     1       6.777  -2.257   2.435  1.00  0.00           O  
HETATM   88  H   UNL     1       6.730  -1.804   3.288  1.00  0.00           H  
CONECT    1    4   48   49   50                                       
CONECT    2    6    7   51   52                                       
CONECT    3   43   43   39    7                                       
CONECT    4   42   42    8    1                                       
CONECT    5    6   38   53   54                                       
CONECT    6    2    5   55   56                                       
CONECT    7    2    3   38   19                                       
CONECT    8    9    4   57                                            
CONECT    9   10   12    8   58                                       
CONECT   10   38    9   11   11                                       
CONECT   11   10   10                                                 
CONECT   12    9   13   59   60                                       
CONECT   13   14   12   15   15                                       
CONECT   14   47   16   16   13                                       
CONECT   15   13   13   17   61                                       
CONECT   16   14   14   18   62                                       
CONECT   17   18   18   15   63                                       
CONECT   18   16   17   17   64                                       
CONECT   19    7   20   20   65                                       
CONECT   20   21   19   19   66                                       
CONECT   21   39   20   22   67                                       
CONECT   22   23   21   68   69                                       
CONECT   23   24   22   70   71                                       
CONECT   24   25   39   23   72                                       
CONECT   25   44   44   40   24                                       
CONECT   26   27   35   40   73                                       
CONECT   27   41   45   45   26                                       
CONECT   28   30   29   41   74                                       
CONECT   29   28   46   46   87                                       
CONECT   30   31   28   75   76                                       
CONECT   31   30   32   77   78                                       
CONECT   32   31   41   33   79                                       
CONECT   33   32   34   34   80                                       
CONECT   34   33   33   35   81                                       
CONECT   35   34   26   36   82                                       
CONECT   36   35   37   83   84                                       
CONECT   37   40   36   85   86                                       
CONECT   38    5    7   10                                            
CONECT   39   24    3   21                                            
CONECT   40   26   25   37                                            
CONECT   41   28   32   27                                            
CONECT   42    4    4                                                 
CONECT   43    3    3                                                 
CONECT   44   25   25                                                 
CONECT   45   27   27                                                 
CONECT   46   29   29                                                 
CONECT   47   14                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   29   88                                                 
CONECT   88   87                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
