COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -6.800   0.849   0.149  1.00  0.00          Br  
HETATM    2  C   UNL     1      -5.249  -0.199  -0.116  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.001   0.337   0.143  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.864  -0.433  -0.052  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.981  -1.739  -0.506  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.231  -2.270  -0.763  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.364  -1.503  -0.563  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.635   0.091   0.201  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.509  -0.759  -0.022  1.00  0.00           C  
HETATM   10  C   UNL     1       0.777  -0.001   0.315  1.00  0.00           C  
HETATM   11  C   UNL     1       1.983  -0.911   0.076  1.00  0.00           C  
HETATM   12  C   UNL     1       3.249  -0.164   0.408  1.00  0.00           C  
HETATM   13  O   UNL     1       3.192   0.983   0.797  1.00  0.00           O  
HETATM   14  N   UNL     1       4.445  -0.771   0.273  1.00  0.00           N  
HETATM   15  C   UNL     1       5.676  -0.045   0.595  1.00  0.00           C  
HETATM   16  C   UNL     1       6.752  -1.043   1.028  1.00  0.00           C  
HETATM   17  C   UNL     1       8.114  -0.370   0.776  1.00  0.00           C  
HETATM   18  S   UNL     1       7.841   0.669  -0.692  1.00  0.00           S  
HETATM   19  C   UNL     1       6.126   0.730  -0.614  1.00  0.00           C  
HETATM   20  O   UNL     1       5.400   1.300  -1.401  1.00  0.00           O  
HETATM   21  H   UNL     1      -3.912   1.353   0.496  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.097  -2.339  -0.659  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.323  -3.286  -1.117  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.339  -1.922  -0.761  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.587  -1.641   0.614  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.486  -1.066  -1.067  1.00  0.00           H  
HETATM   27  H   UNL     1       0.856   0.881  -0.321  1.00  0.00           H  
HETATM   28  H   UNL     1       1.905  -1.793   0.712  1.00  0.00           H  
HETATM   29  H   UNL     1       4.491  -1.689  -0.038  1.00  0.00           H  
HETATM   30  H   UNL     1       5.480   0.648   1.413  1.00  0.00           H  
HETATM   31  H   UNL     1       6.641  -1.274   2.087  1.00  0.00           H  
HETATM   32  H   UNL     1       6.672  -1.955   0.437  1.00  0.00           H  
HETATM   33  H   UNL     1       8.399   0.244   1.630  1.00  0.00           H  
HETATM   34  H   UNL     1       8.878  -1.121   0.576  1.00  0.00           H  
HETATM   35  H   UNL     1       0.754   0.306   1.361  1.00  0.00           H  
HETATM   36  H   UNL     1       2.006  -1.218  -0.969  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   21                                       
CONECT    4    3    8    5    5                                       
CONECT    5    4    4    6   22                                       
CONECT    6    7    7    5   23                                       
CONECT    7    2    6    6   24                                       
CONECT    8    4    9                                                 
CONECT    9    8   10   25   26                                       
CONECT   10    9   11   27   35                                       
CONECT   11   10   12   28   36                                       
CONECT   12   13   13   11   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   29                                            
CONECT   15   14   19   16   30                                       
CONECT   16   15   17   31   32                                       
CONECT   17   16   18   33   34                                       
CONECT   18   19   17                                                 
CONECT   19   15   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
