COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.461   0.574   0.362  1.00  0.00           N  
HETATM    2  C   UNL     1       4.004   2.575   0.744  1.00  0.00           C  
HETATM    3  C   UNL     1       0.338  -0.252  -0.535  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.452  -1.129   0.197  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.785  -0.861   0.417  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.350   0.295  -0.095  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.237   0.909  -1.046  1.00  0.00           C  
HETATM    8 BR   UNL     1      -4.180   0.668   0.204  1.00  0.00          Br  
HETATM    9  C   UNL     1       0.447  -2.272   0.607  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.026  -3.503   0.058  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.573   1.176  -0.826  1.00  0.00           C  
HETATM   12  N   UNL     1       1.643  -0.740  -0.626  1.00  0.00           N  
HETATM   13  C   UNL     1       1.794  -1.911   0.018  1.00  0.00           C  
HETATM   14  O   UNL     1       2.816  -2.558   0.105  1.00  0.00           O  
HETATM   15  C   UNL     1       2.725  -0.052  -1.333  1.00  0.00           C  
HETATM   16  C   UNL     1       3.438   0.874  -0.381  1.00  0.00           C  
HETATM   17  N   UNL     1       3.132   2.162  -0.145  1.00  0.00           N  
HETATM   18  O   UNL     1       4.801   1.538   1.016  1.00  0.00           O  
HETATM   19  H   UNL     1       4.065   3.563   1.174  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.388  -1.551   0.988  1.00  0.00           H  
HETATM   21  H   UNL     1       0.363   1.602  -1.618  1.00  0.00           H  
HETATM   22  H   UNL     1       0.510  -2.339   1.694  1.00  0.00           H  
HETATM   23  H   UNL     1       0.515  -4.271   0.289  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.013   2.077  -1.226  1.00  0.00           H  
HETATM   25  H   UNL     1       3.430  -0.786  -1.722  1.00  0.00           H  
HETATM   26  H   UNL     1       2.310   0.526  -2.159  1.00  0.00           H  
CONECT    1   18   16   16                                            
CONECT    2   18   17   17   19                                       
CONECT    3   12    4    4    7                                       
CONECT    4    9    3    3    5                                       
CONECT    5    4    6    6   20                                       
CONECT    6    5    5   11    8                                       
CONECT    7    3   11   11   21                                       
CONECT    8    6                                                      
CONECT    9   13    4   10   22                                       
CONECT   10    9   23                                                 
CONECT   11    7    7    6   24                                       
CONECT   12   13   15    3                                            
CONECT   13   14   14    9   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   12   25   26                                       
CONECT   16    1    1   17   15                                       
CONECT   17    2    2   16                                            
CONECT   18    2    1                                                 
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21    7                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   15                                                      
CONECT   26   15                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
