COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -3.910   0.185   0.058  1.00  0.00          Br  
HETATM    2  C   UNL     1      -2.106  -0.378  -0.014  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.092   0.559  -0.026  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.805  -1.729  -0.050  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.488  -2.148  -0.103  1.00  0.00           C  
HETATM    6  C   UNL     1       0.535  -1.222  -0.120  1.00  0.00           C  
HETATM    7  C   UNL     1       0.238   0.141  -0.079  1.00  0.00           C  
HETATM    8  C   UNL     1       1.330   1.139  -0.092  1.00  0.00           C  
HETATM    9  O   UNL     1       1.069   2.327  -0.167  1.00  0.00           O  
HETATM   10  C   UNL     1       2.679   0.714  -0.016  1.00  0.00           C  
HETATM   11  O   UNL     1       3.127  -0.567  -0.028  1.00  0.00           O  
HETATM   12  C   UNL     1       4.464  -0.530   0.061  1.00  0.00           C  
HETATM   13  N   UNL     1       5.289  -1.626   0.080  1.00  0.00           N  
HETATM   14  N   UNL     1       4.860   0.724   0.128  1.00  0.00           N  
HETATM   15  C   UNL     1       3.793   1.521   0.078  1.00  0.00           C  
HETATM   16  H   UNL     1      -1.328   1.612   0.006  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.602  -2.458  -0.036  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.259  -3.204  -0.131  1.00  0.00           H  
HETATM   19  H   UNL     1       1.562  -1.552  -0.161  1.00  0.00           H  
HETATM   20  H   UNL     1       3.799   2.601   0.108  1.00  0.00           H  
HETATM   21  H   UNL     1       4.912  -2.518   0.025  1.00  0.00           H  
HETATM   22  H   UNL     1       6.250  -1.509   0.147  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    4    4                                       
CONECT    3    2    7    7   16                                       
CONECT    4    2    2    5   17                                       
CONECT    5    4    6    6   18                                       
CONECT    6    5    5    7   19                                       
CONECT    7    3    3    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   15   15                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   14   14                                       
CONECT   13   12   21   22                                            
CONECT   14   12   12   15                                            
CONECT   15   10   10   14   20                                       
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20   15                                                      
CONECT   21   13                                                      
CONECT   22   13                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
