COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.162   2.095   1.535  1.00  0.00           N  
HETATM    2  S   UNL     1      -2.804   3.799  -0.405  1.00  0.00           S  
HETATM    3  C   UNL     1      -2.364   2.050  -0.598  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.217   1.405   0.781  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.852  -0.048   0.621  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.641  -0.485   0.467  1.00  0.00           N  
HETATM    7  N   UNL     1      -2.754  -1.075   0.624  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.080  -2.234   0.458  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.544  -3.359   0.409  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.663  -1.847   0.352  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.204  -0.941   0.782  1.00  0.00           C  
HETATM   12  C   UNL     1       0.418  -2.684   0.176  1.00  0.00           C  
HETATM   13  C   UNL     1       1.756  -2.121  -0.020  1.00  0.00           C  
HETATM   14  C   UNL     1       1.962  -0.739   0.096  1.00  0.00           C  
HETATM   15  C   UNL     1       2.836  -2.963  -0.318  1.00  0.00           C  
HETATM   16  C   UNL     1       3.222  -0.217  -0.088  1.00  0.00           C  
HETATM   17  C   UNL     1       4.092  -2.430  -0.500  1.00  0.00           C  
HETATM   18  C   UNL     1       4.290  -1.058  -0.389  1.00  0.00           C  
HETATM   19  O   UNL     1       5.530  -0.537  -0.570  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.843  -0.775  -0.573  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.158  -0.770  -1.568  1.00  0.00           O  
HETATM   22 BR   UNL     1       3.503   1.647   0.068  1.00  0.00          Br  
HETATM   23  H   UNL     1      -1.089   1.730   2.473  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.276   2.035   1.054  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.898   4.230  -1.675  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.147   1.538  -1.157  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.420   1.970  -1.139  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.161   1.485   1.322  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.601  -1.834   1.264  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.424  -0.068   1.397  1.00  0.00           H  
HETATM   31  H   UNL     1       0.278  -3.755   0.182  1.00  0.00           H  
HETATM   32  H   UNL     1       1.135  -0.086   0.330  1.00  0.00           H  
HETATM   33  H   UNL     1       2.684  -4.029  -0.405  1.00  0.00           H  
HETATM   34  H   UNL     1       4.925  -3.077  -0.730  1.00  0.00           H  
HETATM   35  H   UNL     1       5.725  -0.293  -1.485  1.00  0.00           H  
HETATM   36  O   UNL     1      -6.174  -0.634  -0.674  1.00  0.00           O  
HETATM   37  H   UNL     1      -6.539  -0.531  -1.564  1.00  0.00           H  
CONECT    1    4   23   24                                            
CONECT    2    3   25                                                 
CONECT    3    2    4   26   27                                       
CONECT    4    1    3    5   28                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5   10                                            
CONECT    7    5    8   11                                            
CONECT    8   10    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    6   12   12    8                                       
CONECT   11    7   20   29   30                                       
CONECT   12   13   10   10   31                                       
CONECT   13   15   15   14   12                                       
CONECT   14   16   16   13   32                                       
CONECT   15   17   13   13   33                                       
CONECT   16   22   18   14   14                                       
CONECT   17   18   18   15   34                                       
CONECT   18   19   17   17   16                                       
CONECT   19   18   35                                                 
CONECT   20   11   21   21   36                                       
CONECT   21   20   20                                                 
CONECT   22   16                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   20   37                                                 
CONECT   37   36                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
