COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       1.290   2.185  -0.375  1.00  0.00          Br  
HETATM    2  N   UNL     1      -4.513  -0.328   0.285  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.799  -1.471   0.487  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.472  -2.641   0.735  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.486  -1.485   0.452  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.788  -0.368   0.214  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.464   0.838  -0.002  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.877   0.839   0.039  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.507   1.867  -0.144  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.525   1.793  -0.215  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.341   1.256  -0.145  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.453  -0.079   0.118  1.00  0.00           N  
HETATM   13  C1* UNL     1       0.652  -1.028   0.271  1.00  0.00           C  
HETATM   14  C2* UNL     1       1.270  -1.373  -1.108  1.00  0.00           C  
HETATM   15  O2* UNL     1       0.563  -2.448  -1.729  1.00  0.00           O  
HETATM   16  C3* UNL     1       2.705  -1.806  -0.721  1.00  0.00           C  
HETATM   17  O3* UNL     1       2.794  -3.230  -0.643  1.00  0.00           O  
HETATM   18  C4* UNL     1       2.929  -1.174   0.666  1.00  0.00           C  
HETATM   19  O4* UNL     1       1.748  -0.421   0.989  1.00  0.00           O  
HETATM   20  C5* UNL     1       4.143  -0.244   0.625  1.00  0.00           C  
HETATM   21  O5* UNL     1       4.414   0.245   1.940  1.00  0.00           O  
HETATM   22  H   UNL     1      -5.482  -0.352   0.314  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.441  -2.647   0.764  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.978  -3.463   0.881  1.00  0.00           H  
HETATM   25  H1* UNL     1       0.313  -1.932   0.777  1.00  0.00           H  
HETATM   26  H2* UNL     1       1.289  -0.496  -1.756  1.00  0.00           H  
HETATM   27  H2* UNL     1       0.912  -2.701  -2.595  1.00  0.00           H  
HETATM   28  H3* UNL     1       3.427  -1.418  -1.440  1.00  0.00           H  
HETATM   29  H3* UNL     1       3.672  -3.557  -0.403  1.00  0.00           H  
HETATM   30  H4* UNL     1       3.084  -1.957   1.409  1.00  0.00           H  
HETATM   31 H5*1 UNL     1       5.010  -0.794   0.257  1.00  0.00           H  
HETATM   32 H5*2 UNL     1       3.936   0.594  -0.040  1.00  0.00           H  
HETATM   33  H5* UNL     1       5.173   0.843   1.989  1.00  0.00           H  
CONECT    1   11                                                      
CONECT    2    3    8   22                                            
CONECT    3    2    4    5    5                                       
CONECT    4    3   23   24                                            
CONECT    5    3    3    6                                            
CONECT    6    5    7    7   12                                       
CONECT    7    6    6    8   10                                       
CONECT    8    2    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    7   11   11                                            
CONECT   11    1   10   10   12                                       
CONECT   12    6   11   13                                            
CONECT   13   12   14   19   25                                       
CONECT   14   13   15   16   26                                       
CONECT   15   14   27                                                 
CONECT   16   14   17   18   28                                       
CONECT   17   16   29                                                 
CONECT   18   16   19   20   30                                       
CONECT   19   13   18                                                 
CONECT   20   18   21   31   32                                       
CONECT   21   20   33                                                 
CONECT   22    2                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25   13                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
CONECT   29   17                                                      
CONECT   30   18                                                      
CONECT   31   20                                                      
CONECT   32   20                                                      
CONECT   33   21                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
