COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       5.343   3.591  -5.365  1.00  0.00          Br  
HETATM    2  C   UNL     1       4.092   2.529  -4.432  1.00  0.00           C  
HETATM    3  C   UNL     1       2.763   2.904  -4.397  1.00  0.00           C  
HETATM    4  N   UNL     1       1.796   2.220  -3.746  1.00  0.00           N  
HETATM    5  C   UNL     1       2.182   1.096  -3.110  1.00  0.00           C  
HETATM    6  N   UNL     1       3.458   0.652  -3.144  1.00  0.00           N  
HETATM    7  C   UNL     1       4.423   1.365  -3.766  1.00  0.00           C  
HETATM    8  N   UNL     1       5.736   0.902  -3.777  1.00  0.00           N  
HETATM    9  C   UNL     1       6.054  -0.448  -3.328  1.00  0.00           C  
HETATM   10  C   UNL     1       5.958  -0.599  -1.804  1.00  0.00           C  
HETATM   11  C   UNL     1       6.136  -2.035  -1.307  1.00  0.00           C  
HETATM   12  N   UNL     1       5.168  -2.952  -1.942  1.00  0.00           N  
HETATM   13  S   UNL     1       3.998  -3.822  -1.065  1.00  0.00           S  
HETATM   14  O   UNL     1       4.566  -4.221   0.209  1.00  0.00           O  
HETATM   15  O   UNL     1       3.385  -4.798  -1.945  1.00  0.00           O  
HETATM   16  C   UNL     1       2.735  -2.628  -0.738  1.00  0.00           C  
HETATM   17  C   UNL     1       2.426  -1.668  -1.703  1.00  0.00           C  
HETATM   18  C   UNL     1       2.052  -2.667   0.474  1.00  0.00           C  
HETATM   19  C   UNL     1       1.050  -1.729   0.716  1.00  0.00           C  
HETATM   20  C   UNL     1       0.757  -0.745  -0.234  1.00  0.00           C  
HETATM   21  C   UNL     1       1.453  -0.687  -1.452  1.00  0.00           C  
HETATM   22  N   UNL     1       1.242   0.417  -2.307  1.00  0.00           N  
HETATM   23  H   UNL     1       2.430   3.804  -4.904  1.00  0.00           H  
HETATM   24  H   UNL     1       0.349   0.888  -2.217  1.00  0.00           H  
HETATM   25  H   UNL     1       6.485   1.580  -3.860  1.00  0.00           H  
HETATM   26  H   UNL     1       7.078  -0.682  -3.643  1.00  0.00           H  
HETATM   27  H   UNL     1       5.402  -1.158  -3.848  1.00  0.00           H  
HETATM   28  H   UNL     1       6.725   0.033  -1.337  1.00  0.00           H  
HETATM   29  H   UNL     1       5.002  -0.223  -1.428  1.00  0.00           H  
HETATM   30  H   UNL     1       7.144  -2.393  -1.541  1.00  0.00           H  
HETATM   31  H   UNL     1       6.027  -2.055  -0.218  1.00  0.00           H  
HETATM   32  H   UNL     1       5.314  -3.165  -2.936  1.00  0.00           H  
HETATM   33  H   UNL     1       2.945  -1.689  -2.656  1.00  0.00           H  
HETATM   34  H   UNL     1       2.271  -3.416   1.228  1.00  0.00           H  
HETATM   35  H   UNL     1       0.506  -1.749   1.656  1.00  0.00           H  
HETATM   36  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   23                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6   22                                       
CONECT    6    5    5    7                                            
CONECT    7    2    2    6    8                                       
CONECT    8    7    9   25                                            
CONECT    9    8   10   26   27                                       
CONECT   10    9   11   28   29                                       
CONECT   11   10   12   30   31                                       
CONECT   12   11   13   32                                            
CONECT   13   12   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   17   18   18                                       
CONECT   17   16   21   21   33                                       
CONECT   18   16   16   19   34                                       
CONECT   19   18   20   20   35                                       
CONECT   20   19   19   21   36                                       
CONECT   21   17   17   20   22                                       
CONECT   22    5   21   24                                            
CONECT   23    3                                                      
CONECT   24   22                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
