COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.907  -0.100   0.048  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.710   1.025   0.322  1.00  0.00           C  
HETATM    3  C   UNL     1       1.602   0.751  -0.126  1.00  0.00           C  
HETATM    4  C   UNL     1       3.024  -0.628   0.899  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.480  -1.560   1.342  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.544  -0.560   0.391  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.832  -0.874  -0.925  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.704  -2.875   0.979  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.056  -2.190  -1.288  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.998  -3.189  -0.335  1.00  0.00           C  
HETATM   11  N   UNL     1       1.798  -0.153   0.782  1.00  0.00           N  
HETATM   12  N   UNL     1       0.382   1.362  -0.392  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.893   1.618   0.065  1.00  0.00           N  
HETATM   14  O   UNL     1      -0.628   0.185   1.198  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.335   1.871   0.313  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.940   1.101   2.239  1.00  0.00           O  
HETATM   17  S   UNL     1       3.063   1.081  -0.951  1.00  0.00           S  
HETATM   18  S   UNL     1      -3.259   1.116   0.854  1.00  0.00           S  
HETATM   19 BR   UNL     1       5.743  -0.537  -0.061  1.00  0.00          Br  
HETATM   20 CL   UNL     1      -3.914   0.382  -2.121  1.00  0.00          Cl  
HETATM   21  H   UNL     1       3.292  -1.382   1.624  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.251  -1.315   2.369  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.649  -3.657   1.722  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.282  -2.436  -2.315  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.172  -4.217  -0.618  1.00  0.00           H  
HETATM   26  H   UNL     1       0.317   2.032  -1.090  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.943   2.338  -0.583  1.00  0.00           H  
CONECT    1    4    4   17   19                                       
CONECT    2   12   13   14   14                                       
CONECT    3   11   11   12   17                                       
CONECT    4   11    1    1   21                                       
CONECT    5    6    6    8   22                                       
CONECT    6    7   18    5    5                                       
CONECT    7   20    9    9    6                                       
CONECT    8   10   10    5   23                                       
CONECT    9    7    7   10   24                                       
CONECT   10    9    8    8   25                                       
CONECT   11    4    3    3                                            
CONECT   12    3    2   26                                            
CONECT   13    2   18   27                                            
CONECT   14    2    2                                                 
CONECT   15   18   18                                                 
CONECT   16   18   18                                                 
CONECT   17    3    1                                                 
CONECT   18   13   16   16    6                                       
CONECT   18   15   15                                                 
CONECT   19    1                                                      
CONECT   20    7                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
