COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.137   1.650  -0.109  1.00  0.00           C  
HETATM    2  C   UNL     1       2.977   0.826   0.429  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.439  -0.383  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       3.886   0.434  -0.535  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.340   0.832  -0.426  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.493  -0.509   0.933  1.00  0.00           C  
HETATM    7  C   UNL     1       4.050  -1.722   0.499  1.00  0.00           C  
HETATM    8  C   UNL     1       4.423  -0.841  -0.502  1.00  0.00           C  
HETATM    9  C   UNL     1       2.608  -0.052   1.431  1.00  0.00           C  
HETATM   10  C   UNL     1       3.144  -1.325   1.467  1.00  0.00           C  
HETATM   11  N   UNL     1       0.916   2.378  -0.531  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.256   1.587  -0.859  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.379   0.154   0.677  1.00  0.00           N  
HETATM   14  O   UNL     1       1.877   2.745   1.712  1.00  0.00           O  
HETATM   15  O   UNL     1       3.215   3.254  -0.337  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.076   1.047   0.945  1.00  0.00           O  
HETATM   17  S   UNL     1       2.293   2.450   0.386  1.00  0.00           S  
HETATM   18  S   UNL     1      -3.816   0.664  -1.273  1.00  0.00           S  
HETATM   19 BR   UNL     1      -6.147  -1.194   0.033  1.00  0.00          Br  
HETATM   20 CL   UNL     1       5.564  -1.334  -1.713  1.00  0.00          Cl  
HETATM   21 CL   UNL     1       4.723  -3.322   0.542  1.00  0.00          Cl  
HETATM   22  H   UNL     1       4.176   1.122  -1.316  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.627  -1.104   1.824  1.00  0.00           H  
HETATM   24  H   UNL     1       1.901   0.257   2.187  1.00  0.00           H  
HETATM   25  H   UNL     1       2.856  -2.011   2.250  1.00  0.00           H  
HETATM   26  H   UNL     1       0.868   2.859  -1.372  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.304   2.068  -1.699  1.00  0.00           H  
CONECT    1   12   11   16   16                                       
CONECT    2    9   17    4    4                                       
CONECT    3    6    6   18   19                                       
CONECT    4    2    2    8   22                                       
CONECT    5   13   13   12   18                                       
CONECT    6   13    3    3   23                                       
CONECT    7   10   21    8    8                                       
CONECT    8    7    7    4   20                                       
CONECT    9   10   10    2   24                                       
CONECT   10    9    9    7   25                                       
CONECT   11    1   17   26                                            
CONECT   12    5    1   27                                            
CONECT   13    6    5    5                                            
CONECT   14   17   17                                                 
CONECT   15   17   17                                                 
CONECT   16    1    1                                                 
CONECT   17   11   15   15    2                                       
CONECT   17   14   14                                                 
CONECT   18    5    3                                                 
CONECT   19    3                                                      
CONECT   20    8                                                      
CONECT   21    7                                                      
CONECT   22    4                                                      
CONECT   23    6                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
