COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.926   2.799   0.335  1.00  0.00           C  
HETATM    2  C   UNL     1       1.481   1.013   0.375  1.00  0.00           C  
HETATM    3  C   UNL     1       2.476   0.209  -0.205  1.00  0.00           C  
HETATM    4  C   UNL     1       3.722   0.795  -0.487  1.00  0.00           C  
HETATM    5  C   UNL     1       0.728  -1.041   0.092  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.826   1.080   0.013  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.173   1.488   0.614  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.899   0.588   1.127  1.00  0.00           C  
HETATM    9  N   UNL     1       3.894   2.082  -0.207  1.00  0.00           N  
HETATM   10  N   UNL     1       1.747   2.291   0.625  1.00  0.00           N  
HETATM   11  N   UNL     1       4.742   0.051  -1.054  1.00  0.00           N  
HETATM   12  N   UNL     1       1.952  -1.033  -0.351  1.00  0.00           N  
HETATM   13  N   UNL     1       0.391   0.198   0.551  1.00  0.00           N  
HETATM   14  N   UNL     1      -6.014   0.914  -0.832  1.00  0.00           N1-
HETATM   15  N   UNL     1      -4.061   1.959  -0.452  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.037   1.436  -0.642  1.00  0.00           N1+
HETATM   17 BR   UNL     1      -0.414  -2.549   0.099  1.00  0.00          Br  
HETATM   18  H   UNL     1       3.110   3.842   0.550  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.979   0.281  -0.712  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.374   1.940  -0.482  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.625   0.628   1.110  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.020   2.287   1.340  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.747   1.387   1.852  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.351  -0.271   1.622  1.00  0.00           H  
HETATM   25  H   UNL     1       5.595   0.469  -1.251  1.00  0.00           H  
HETATM   26  H   UNL     1       4.604  -0.888  -1.254  1.00  0.00           H  
CONECT    1    9   10   10   18                                       
CONECT    2    3    3   10   13                                       
CONECT    3    4   12    2    2                                       
CONECT    4   11    9    9    3                                       
CONECT    5   12   12   17   13                                       
CONECT    6    8    7   19   20                                       
CONECT    7    6   15   21   22                                       
CONECT    8   13    6   23   24                                       
CONECT    9    4    4    1                                            
CONECT   10    1    1    2                                            
CONECT   11    4   25   26                                            
CONECT   12    3    5    5                                            
CONECT   13    5    2    8                                            
CONECT   14   16   16                                                 
CONECT   15    7   16   16                                            
CONECT   16   15   15   14   14                                       
CONECT   17    5                                                      
CONECT   18    1                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
