COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.795   0.935   2.030  1.00  0.00           C  
HETATM    2  C   UNL     1       4.426  -0.249   1.418  1.00  0.00           C  
HETATM    3  C   UNL     1       4.425   2.145   1.474  1.00  0.00           C  
HETATM    4  C   UNL     1       0.667  -1.403  -0.124  1.00  0.00           C  
HETATM    5  O   UNL     1       0.765  -0.386  -0.783  1.00  0.00           O  
HETATM    6  N   UNL     1      -0.527  -1.763   0.386  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.647  -0.971   0.159  1.00  0.00           C  
HETATM    8  O   UNL     1       4.153  -2.712  -0.101  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.807   0.760  -0.637  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.828   0.159  -0.022  1.00  0.00           C  
HETATM   11  C   UNL     1       3.318   0.989  -0.306  1.00  0.00           C  
HETATM   12  O   UNL     1       2.995  -1.420  -1.900  1.00  0.00           O  
HETATM   13 BR   UNL     1      -5.616   0.772   0.020  1.00  0.00          Br  
HETATM   14  S   UNL     1      -3.218  -1.306   0.745  1.00  0.00           S  
HETATM   15  N   UNL     1      -1.651   0.132  -0.521  1.00  0.00           N  
HETATM   16  N   UNL     1       1.752  -2.172   0.095  1.00  0.00           N  
HETATM   17  S   UNL     1       3.220  -1.730  -0.532  1.00  0.00           S  
HETATM   18  C   UNL     1       3.688  -0.222   0.249  1.00  0.00           C  
HETATM   19  C   UNL     1       3.686   2.172   0.306  1.00  0.00           C  
HETATM   20  C   UNL     1       3.283   3.491  -0.300  1.00  0.00           C  
HETATM   21  C   UNL     1       4.365   3.958  -1.275  1.00  0.00           C  
HETATM   22  H   UNL     1       5.368   0.913   2.945  1.00  0.00           H  
HETATM   23  H   UNL     1       4.716  -1.194   1.852  1.00  0.00           H  
HETATM   24  H   UNL     1       4.712   3.069   1.953  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.606  -2.575   0.911  1.00  0.00           H  
HETATM   26  H   UNL     1       1.674  -2.983   0.620  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.918   1.684  -1.185  1.00  0.00           H  
HETATM   28  H   UNL     1       2.742   1.010  -1.220  1.00  0.00           H  
HETATM   29  H   UNL     1       2.340   3.373  -0.834  1.00  0.00           H  
HETATM   30  H   UNL     1       3.162   4.232   0.490  1.00  0.00           H  
HETATM   31  H   UNL     1       4.074   4.912  -1.713  1.00  0.00           H  
HETATM   32  H   UNL     1       5.308   4.076  -0.741  1.00  0.00           H  
HETATM   33  H   UNL     1       4.486   3.217  -2.066  1.00  0.00           H  
CONECT    1    2    3    3   22                                       
CONECT    2    1   18   18   23                                       
CONECT    3    1    1   19   24                                       
CONECT    4    5    5    6   16                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   25                                            
CONECT    7    6   14   15   15                                       
CONECT    8   17   17                                                 
CONECT    9   10   10   15   27                                       
CONECT   10    9    9   13   14                                       
CONECT   11   18   19   19   28                                       
CONECT   12   17   17                                                 
CONECT   13   10                                                      
CONECT   14    7   10                                                 
CONECT   15    7    7    9                                            
CONECT   16    4   17   26                                            
CONECT   17    8    8   12   12                                       
CONECT   17   16   18                                                 
CONECT   18    2    2   11   17                                       
CONECT   19    3   11   11   20                                       
CONECT   20   19   21   29   30                                       
CONECT   21   20   31   32   33                                       
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    6                                                      
CONECT   26   16                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   20                                                      
CONECT   30   20                                                      
CONECT   31   21                                                      
CONECT   32   21                                                      
CONECT   33   21                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
