COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.855  -3.241   0.029  1.00  0.00           N  
HETATM    2  C   UNL     1       1.526  -3.048   0.017  1.00  0.00           C  
HETATM    3  C   UNL     1       1.278  -1.597   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1       3.065   0.341  -0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       4.420   0.609   0.007  1.00  0.00           C  
HETATM    6  C   UNL     1       5.334  -0.433   0.023  1.00  0.00           C  
HETATM    7  C   UNL     1       4.904  -1.745   0.030  1.00  0.00           C  
HETATM    8  C   UNL     1       3.544  -2.033   0.023  1.00  0.00           C  
HETATM    9  C   UNL     1       2.623  -0.977   0.006  1.00  0.00           C  
HETATM   10  O   UNL     1       0.675  -3.920   0.018  1.00  0.00           O  
HETATM   11  N   UNL     1       0.115  -0.984  -0.013  1.00  0.00           N  
HETATM   12 BR   UNL     1       5.029   2.399  -0.005  1.00  0.00          Br  
HETATM   13  N   UNL     1      -0.976  -1.671  -0.015  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.211  -1.021  -0.030  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.388  -1.760  -0.032  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.607  -1.112  -0.047  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.658   0.270  -0.061  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.489   1.008  -0.059  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.266   0.368  -0.038  1.00  0.00           C  
HETATM   20  S   UNL     1      -6.217   1.091  -0.081  1.00  0.00           S  
HETATM   21  O   UNL     1      -5.985   2.378  -0.636  1.00  0.00           O  
HETATM   22  O   UNL     1      -7.150   0.168  -0.624  1.00  0.00           O  
HETATM   23  N   UNL     1      -6.663   1.335   1.495  1.00  0.00           N  
HETATM   24  H   UNL     1       2.352   1.151  -0.015  1.00  0.00           H  
HETATM   25  H   UNL     1       6.392  -0.216   0.030  1.00  0.00           H  
HETATM   26  H   UNL     1       5.626  -2.548   0.043  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.349  -2.839  -0.021  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.522  -1.686  -0.049  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.533   2.087  -0.071  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.353   0.946  -0.032  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.086   1.035   2.214  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.502   1.778   1.699  1.00  0.00           H  
HETATM   33  H   UNL     1       3.281  -4.113   0.044  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.939  -2.641  -0.005  1.00  0.00           H  
CONECT    1    2    8   33                                            
CONECT    2    1    3   10   10                                       
CONECT    3    2    9   11   11                                       
CONECT    4    5    9    9   24                                       
CONECT    5    4    6    6   12                                       
CONECT    6    5    5    7   25                                       
CONECT    7    6    8    8   26                                       
CONECT    8    1    7    7    9                                       
CONECT    9    3    4    4    8                                       
CONECT   10    2    2                                                 
CONECT   11    3    3   13                                            
CONECT   12    5                                                      
CONECT   13   11   14   34                                            
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   27                                       
CONECT   16   15   17   17   28                                       
CONECT   17   16   16   18   20                                       
CONECT   18   17   19   19   29                                       
CONECT   19   14   18   18   30                                       
CONECT   20   17   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   31   32                                            
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
CONECT   29   18                                                      
CONECT   30   19                                                      
CONECT   31   23                                                      
CONECT   32   23                                                      
CONECT   33    1                                                      
CONECT   34   13                                                      
MASTER        0    0    0    0    0    0    0    0   34    0   34    0
END
