COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.908   2.205  -2.200  1.00  0.00           C  
HETATM    2  O   UNL     1       3.082   2.067  -1.042  1.00  0.00           O  
HETATM    3  C   UNL     1       2.848   0.804  -0.598  1.00  0.00           C  
HETATM    4  C   UNL     1       3.401  -0.271  -1.265  1.00  0.00           C  
HETATM    5  C   UNL     1       3.165  -1.564  -0.815  1.00  0.00           C  
HETATM    6  O   UNL     1       3.558  -2.780  -1.248  1.00  0.00           O  
HETATM    7  N   UNL     1       3.016  -3.775  -0.402  1.00  0.00           N  
HETATM    8  C   UNL     1       2.307  -3.218   0.531  1.00  0.00           C  
HETATM    9  C   UNL     1       1.563  -3.931   1.631  1.00  0.00           C  
HETATM   10  C   UNL     1       2.362  -1.770   0.319  1.00  0.00           C  
HETATM   11  C   UNL     1       1.805  -0.676   0.990  1.00  0.00           C  
HETATM   12  C   UNL     1       2.053   0.603   0.535  1.00  0.00           C  
HETATM   13  N   UNL     1       1.497   1.702   1.204  1.00  0.00           N  
HETATM   14  S   UNL     1      -0.012   1.587   1.876  1.00  0.00           S  
HETATM   15  O   UNL     1       0.011   0.442   2.718  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.344   2.888   2.341  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.138   1.222   0.571  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.816   0.018   0.560  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.700  -0.269  -0.464  1.00  0.00           C  
HETATM   20 BR   UNL     1      -3.627  -1.918  -0.477  1.00  0.00          Br  
HETATM   21  C   UNL     1      -2.907   0.648  -1.479  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.231   1.852  -1.472  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.349   2.145  -0.442  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.687   3.332  -0.430  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.953   4.235  -1.505  1.00  0.00           C  
HETATM   26  H   UNL     1       4.890   1.778  -1.999  1.00  0.00           H  
HETATM   27  H   UNL     1       3.448   1.680  -3.038  1.00  0.00           H  
HETATM   28  H   UNL     1       4.014   3.261  -2.447  1.00  0.00           H  
HETATM   29  H   UNL     1       4.018  -0.108  -2.136  1.00  0.00           H  
HETATM   30  H   UNL     1       2.216  -4.047   2.495  1.00  0.00           H  
HETATM   31  H   UNL     1       0.686  -3.348   1.913  1.00  0.00           H  
HETATM   32  H   UNL     1       1.248  -4.913   1.279  1.00  0.00           H  
HETATM   33  H   UNL     1       1.187  -0.832   1.862  1.00  0.00           H  
HETATM   34  H   UNL     1       1.997   2.531   1.272  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.655  -0.700   1.351  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.598   0.422  -2.278  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.393   2.568  -2.264  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.013   4.490  -1.511  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.362   5.141  -1.374  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.688   3.761  -2.451  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    3    1                                                 
CONECT    3   12   12    4    2                                       
CONECT    4    5    5    3   29                                       
CONECT    5   10    6    4    4                                       
CONECT    6    7    5                                                 
CONECT    7    8    8    6                                            
CONECT    8    9    7    7   10                                       
CONECT    9    8   30   31   32                                       
CONECT   10    8   11   11    5                                       
CONECT   11   10   10   12   33                                       
CONECT   12   11   13    3    3                                       
CONECT   13   12   14   34                                            
CONECT   14   15   15   13   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   23   23                                       
CONECT   18   17   19   19   35                                       
CONECT   19   18   18   20   21                                       
CONECT   20   19                                                      
CONECT   21   19   22   22   36                                       
CONECT   22   23   21   21   37                                       
CONECT   23   17   17   24   22                                       
CONECT   24   23   25                                                 
CONECT   25   24   38   39   40                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   18                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   25                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
