COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.405   0.076   0.529  1.00  0.00           C  
HETATM    2  C   UNL     1       4.320  -0.760   0.276  1.00  0.00           C  
HETATM    3  C   UNL     1       3.042  -0.231   0.204  1.00  0.00           C  
HETATM    4  C   UNL     1       2.844   1.130   0.382  1.00  0.00           C  
HETATM    5  C   UNL     1       3.926   1.962   0.634  1.00  0.00           C  
HETATM    6  C   UNL     1       5.203   1.436   0.707  1.00  0.00           C  
HETATM    7  O   UNL     1       1.590   1.649   0.311  1.00  0.00           O  
HETATM    8  C   UNL     1       0.523   0.735   0.049  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.803   1.497   0.005  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.957   0.505  -0.152  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.443   0.271  -0.226  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.769   1.033  -0.270  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.854   0.107  -0.181  1.00  0.00           O  
HETATM   14  C   UNL     1      -8.110   0.625  -0.206  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.207  -0.217  -0.124  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.494   0.316  -0.150  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.672   1.695  -0.258  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.571   2.528  -0.340  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.293   1.996  -0.309  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.672  -0.580  -0.063  1.00  0.00           C  
HETATM   21  F   UNL     1      -9.744   3.864  -0.445  1.00  0.00           F  
HETATM   22  C   UNL     1     -12.956  -0.035  -0.095  1.00  0.00           C  
HETATM   23  C   UNL     1     -14.047  -0.876  -0.013  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.819  -2.255   0.100  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.504  -2.725   0.125  1.00  0.00           C  
HETATM   26  N   UNL     1     -11.491  -1.891   0.040  1.00  0.00           N  
HETATM   27  C   UNL     1     -14.953  -3.196   0.190  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.283   1.267  -0.196  1.00  0.00           C  
HETATM   29 CL   UNL     1       3.676   3.665   0.856  1.00  0.00          Cl  
HETATM   30  O   UNL     1       4.515  -2.095   0.101  1.00  0.00           O  
HETATM   31  C   UNL     1       3.357  -2.892  -0.155  1.00  0.00           C  
HETATM   32  N   UNL     1       6.700  -0.458   0.609  1.00  0.00           N  
HETATM   33  C   UNL     1       7.753   0.259   0.170  1.00  0.00           C  
HETATM   34  C   UNL     1       9.130  -0.352   0.163  1.00  0.00           C  
HETATM   35  O   UNL     1       7.592   1.396  -0.219  1.00  0.00           O  
HETATM   36  S   UNL     1      10.321   0.851  -0.477  1.00  0.00           S  
HETATM   37  C   UNL     1      11.801  -0.100  -0.378  1.00  0.00           C  
HETATM   38  C   UNL     1      13.010   0.465  -0.781  1.00  0.00           C  
HETATM   39  C   UNL     1      14.157  -0.276  -0.703  1.00  0.00           C  
HETATM   40  C   UNL     1      14.073  -1.590  -0.214  1.00  0.00           C  
HETATM   41  C   UNL     1      12.828  -2.092   0.172  1.00  0.00           C  
HETATM   42  N   UNL     1      11.750  -1.343   0.085  1.00  0.00           N  
HETATM   43  C   UNL     1      15.282  -2.428  -0.112  1.00  0.00           C  
HETATM   44  O   UNL     1      16.360  -1.982  -0.451  1.00  0.00           O  
HETATM   45  O   UNL     1     -14.723  -4.519   0.299  1.00  0.00           O  
HETATM   46  O   UNL     1      15.190  -3.687   0.358  1.00  0.00           O  
HETATM   47  O   UNL     1     -16.093  -2.777   0.168  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.797   2.399  -1.104  1.00  0.00           O  
HETATM   49  O   UNL     1      -3.395   2.094   0.965  1.00  0.00           O  
HETATM   50  O   UNL     1      -1.962  -0.397   0.956  1.00  0.00           O  
HETATM   51  O   UNL     1      -4.330  -0.556  -1.386  1.00  0.00           O  
HETATM   52  H   UNL     1       2.200  -0.878   0.007  1.00  0.00           H  
HETATM   53  H   UNL     1       6.043   2.086   0.904  1.00  0.00           H  
HETATM   54  H   UNL     1       0.692   0.245  -0.910  1.00  0.00           H  
HETATM   55  H   UNL     1       0.485  -0.015   0.839  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.930   2.059   0.930  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.830  -0.057  -1.077  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.411  -0.352   0.668  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.816   1.729   0.567  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.839   1.586  -1.207  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.066  -1.285  -0.041  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.668   2.112  -0.278  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.436   2.651  -0.372  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.094   1.033  -0.183  1.00  0.00           H  
HETATM   65  H   UNL     1     -15.052  -0.481  -0.036  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.318  -3.786   0.212  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.314   1.890  -1.090  1.00  0.00           H  
HETATM   68  H   UNL     1       2.871  -2.545  -1.066  1.00  0.00           H  
HETATM   69  H   UNL     1       3.653  -3.934  -0.275  1.00  0.00           H  
HETATM   70  H   UNL     1       2.664  -2.805   0.682  1.00  0.00           H  
HETATM   71  H   UNL     1       6.837  -1.344   0.981  1.00  0.00           H  
HETATM   72  H   UNL     1       9.408  -0.634   1.178  1.00  0.00           H  
HETATM   73  H   UNL     1       9.131  -1.238  -0.473  1.00  0.00           H  
HETATM   74  H   UNL     1      13.040   1.479  -1.153  1.00  0.00           H  
HETATM   75  H   UNL     1      15.106   0.140  -1.010  1.00  0.00           H  
HETATM   76  H   UNL     1      12.751  -3.101   0.549  1.00  0.00           H  
HETATM   77  H   UNL     1     -15.497  -5.096   0.355  1.00  0.00           H  
HETATM   78  H   UNL     1      16.010  -4.198   0.407  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.688   1.967  -1.962  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.374   1.606   1.799  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.072   0.035   1.815  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.351  -0.068  -2.221  1.00  0.00           H  
CONECT    1   32    6    6    2                                       
CONECT    2    1   30    3    3                                       
CONECT    3    2    2    4   52                                       
CONECT    4    5    5    3    7                                       
CONECT    5    6   29    4    4                                       
CONECT    6    1    1    5   53                                       
CONECT    7    4    8                                                 
CONECT    8    7    9   54   55                                       
CONECT    9    8   10   48   56                                       
CONECT   10   50    9   28   57                                       
CONECT   11   12   28   51   58                                       
CONECT   12   13   11   59   60                                       
CONECT   13   14   12                                                 
CONECT   14   19   19   15   13                                       
CONECT   15   16   16   14   61                                       
CONECT   16   17   20   15   15                                       
CONECT   17   18   18   16   62                                       
CONECT   18   21   17   17   19                                       
CONECT   19   18   14   14   63                                       
CONECT   20   22   16   26   26                                       
CONECT   21   18                                                      
CONECT   22   23   23   20   64                                       
CONECT   23   22   22   24   65                                       
CONECT   24   23   27   25   25                                       
CONECT   25   24   24   26   66                                       
CONECT   26   20   20   25                                            
CONECT   27   47   47   24   45                                       
CONECT   28   10   11   49   67                                       
CONECT   29    5                                                      
CONECT   30    2   31                                                 
CONECT   31   30   68   69   70                                       
CONECT   32   33    1   71                                            
CONECT   33   35   35   34   32                                       
CONECT   34   36   33   72   73                                       
CONECT   35   33   33                                                 
CONECT   36   37   34                                                 
CONECT   37   36   38   38   42                                       
CONECT   38   37   37   39   74                                       
CONECT   39   38   40   40   75                                       
CONECT   40   39   39   41   43                                       
CONECT   41   42   42   40   76                                       
CONECT   42   37   41   41                                            
CONECT   43   40   44   44   46                                       
CONECT   44   43   43                                                 
CONECT   45   27   77                                                 
CONECT   46   43   78                                                 
CONECT   47   27   27                                                 
CONECT   48    9   79                                                 
CONECT   49   28   80                                                 
CONECT   50   10   81                                                 
CONECT   51   11   82                                                 
CONECT   52    3                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   28                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   41                                                      
CONECT   77   45                                                      
CONECT   78   46                                                      
CONECT   79   48                                                      
CONECT   80   49                                                      
CONECT   81   50                                                      
CONECT   82   51                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
