COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -5.273  -2.423  -0.008  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -4.647  -0.803  -0.002  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.520   0.278  -0.003  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.862   0.066  -0.009  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.024   1.576   0.002  1.00  0.00           C  
HETATM    6 CL   UNL     1      -6.119   2.923   0.001  1.00  0.00          Cl  
HETATM    7  C   UNL     1      -3.662   1.796   0.008  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.285  -0.592   0.009  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.782   0.711   0.009  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.323   0.942   0.016  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.365  -0.007   0.012  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.721   2.110   0.021  1.00  0.00           N  
HETATM   13  N   UNL     1       0.554   1.933   0.026  1.00  0.00           N  
HETATM   14  C   UNL     1       0.816   0.646   0.021  1.00  0.00           C  
HETATM   15  C   UNL     1       2.157   0.027   0.021  1.00  0.00           C  
HETATM   16  C   UNL     1       2.288  -1.364   0.011  1.00  0.00           C  
HETATM   17  C   UNL     1       3.545  -1.935   0.011  1.00  0.00           C  
HETATM   18  C   UNL     1       4.672  -1.134   0.020  1.00  0.00           C  
HETATM   19  C   UNL     1       3.300   0.829   0.024  1.00  0.00           C  
HETATM   20  C   UNL     1       4.549   0.245   0.030  1.00  0.00           C  
HETATM   21  S   UNL     1       5.992   1.255   0.035  1.00  0.00           S  
HETATM   22  O   UNL     1       5.752   2.303  -0.895  1.00  0.00           O  
HETATM   23  O   UNL     1       6.315   1.486   1.399  1.00  0.00           O  
HETATM   24 BR   UNL     1       0.747  -2.461   0.000  1.00  0.00          Br  
HETATM   25  H   UNL     1      -7.247   0.006  -0.894  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.277   2.805   0.012  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.607  -1.433   0.014  1.00  0.00           H  
HETATM   28  H   UNL     1       3.648  -3.010   0.004  1.00  0.00           H  
HETATM   29  H   UNL     1       5.653  -1.586   0.019  1.00  0.00           H  
HETATM   30  H   UNL     1       3.205   1.905   0.027  1.00  0.00           H  
HETATM   31  F   UNL     1       7.194   0.374  -0.574  1.00  0.00           F  
CONECT    1    2                                                      
CONECT    2    3    1    8    8                                       
CONECT    3    4    5    5    2                                       
CONECT    4    3   25                                                 
CONECT    5    6    3    3    7                                       
CONECT    6    5                                                      
CONECT    7    5    9    9   26                                       
CONECT    8    2    2    9   27                                       
CONECT    9    7    7    8   10                                       
CONECT   10    9   12   12   11                                       
CONECT   11   10   14                                                 
CONECT   12   10   10   13                                            
CONECT   13   12   14   14                                            
CONECT   14   11   13   13   15                                       
CONECT   15   14   16   16   19                                       
CONECT   16   24   15   15   17                                       
CONECT   17   16   18   18   28                                       
CONECT   18   17   17   20   29                                       
CONECT   19   15   20   20   30                                       
CONECT   20   19   19   18   21                                       
CONECT   21   20   22   22   23                                       
CONECT   21   23   31                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   16                                                      
CONECT   25    4                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30   19                                                      
CONECT   31   21                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
