COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.592   1.809  -0.006  1.00  0.00           C  
HETATM    2  C   UNL     1       2.358  -0.271  -0.008  1.00  0.00           C  
HETATM    3  C   UNL     1       4.773   1.099  -0.004  1.00  0.00           C  
HETATM    4  C   UNL     1       3.547  -0.968   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.370   1.128  -0.005  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.114  -0.606   0.003  1.00  0.00           C  
HETATM    7  C   UNL     1       4.753  -0.286  -0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.017   0.461  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.624  -1.924   0.003  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.795  -1.014  -0.006  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.944   1.229   0.005  1.00  0.00           C  
HETATM   12  C   UNL     1       1.105   1.878  -0.001  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.209   1.140   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.333   0.217  -0.006  1.00  0.00           N  
HETATM   15  N   UNL     1      -4.260   1.606   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.964  -2.094   0.005  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.862  -0.078   0.002  1.00  0.00           N  
HETATM   18  N   UNL     1      -8.153  -1.216  -0.004  1.00  0.00           N  
HETATM   19  O   UNL     1       1.120   3.091   0.002  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.872  -2.884   0.001  1.00  0.00           O  
HETATM   21  S   UNL     1      -1.570   2.332   0.005  1.00  0.00           S  
HETATM   22 BR   UNL     1       6.379  -1.251   0.001  1.00  0.00          Br  
HETATM   23  H   UNL     1       3.609   2.889  -0.004  1.00  0.00           H  
HETATM   24  H   UNL     1       1.418  -0.804  -0.007  1.00  0.00           H  
HETATM   25  H   UNL     1       5.717   1.624  -0.004  1.00  0.00           H  
HETATM   26  H   UNL     1       3.539  -2.048   0.007  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.276   0.516  -0.891  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.272   0.512   0.889  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.596   2.516  -0.002  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.337  -2.990   0.004  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.509  -2.119   0.006  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.757  -0.457  -0.011  1.00  0.00           H  
CONECT    1    3    3    5   23                                       
CONECT    2    5    5    4   24                                       
CONECT    3    1    1    7   25                                       
CONECT    4    7    7    2   26                                       
CONECT    5    1    2    2   12                                       
CONECT    6    8    8    9   17                                       
CONECT    7    3   22    4    4                                       
CONECT    8   14   15    6    6                                       
CONECT    9   16    6   20   20                                       
CONECT   10   18   14   14   16                                       
CONECT   11   15   17   17   21                                       
CONECT   12    5   13   19   19                                       
CONECT   13   21   12   27   28                                       
CONECT   14   10   10    8                                            
CONECT   15    8   11   29                                            
CONECT   16   10    9   30                                            
CONECT   17    6   11   11                                            
CONECT   18   10   31   32                                            
CONECT   19   12   12                                                 
CONECT   20    9    9                                                 
CONECT   21   11   13                                                 
CONECT   22    7                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   18                                                      
CONECT   32   18                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
