COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.698   2.722   0.006  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.093   1.388   0.005  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.790   0.220   0.002  1.00  0.00           C  
HETATM    4 BR   UNL     1      -2.675   0.075  -0.002  1.00  0.00          Br  
HETATM    5  C   UNL     1       0.080  -0.832   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.256  -2.224  -0.001  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.522  -3.328  -0.004  1.00  0.00           N  
HETATM    8  C   UNL     1       1.432  -0.250   0.005  1.00  0.00           C  
HETATM    9  C   UNL     1       1.256   1.143   0.001  1.00  0.00           C  
HETATM   10  N   UNL     1       2.339   1.919  -0.004  1.00  0.00           N  
HETATM   11  C   UNL     1       3.544   1.393  -0.008  1.00  0.00           C  
HETATM   12  N   UNL     1       3.752   0.089  -0.007  1.00  0.00           N  
HETATM   13  C   UNL     1       2.733  -0.767   0.007  1.00  0.00           C  
HETATM   14  N   UNL     1       2.954  -2.133   0.005  1.00  0.00           N  
HETATM   15  H   UNL     1      -0.852   3.052  -1.021  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.658   2.685   0.523  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.037   3.421   0.517  1.00  0.00           H  
HETATM   18  H   UNL     1       4.398   2.054  -0.012  1.00  0.00           H  
HETATM   19  H   UNL     1       2.202  -2.746   0.004  1.00  0.00           H  
HETATM   20  H   UNL     1       3.861  -2.477   0.006  1.00  0.00           H  
CONECT    1    2   15   16   17                                       
CONECT    2    3    1    9                                            
CONECT    3    4    5    5    2                                       
CONECT    4    3                                                      
CONECT    5    6    3    3    8                                       
CONECT    6    7    7    7    5                                       
CONECT    7    6    6    6                                            
CONECT    8    5    9    9   13                                       
CONECT    9    2    8    8   10                                       
CONECT   10    9   11   11                                            
CONECT   11   10   10   12   18                                       
CONECT   12   13   13   11                                            
CONECT   13    8   14   12   12                                       
CONECT   14   13   19   20                                            
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18   11                                                      
CONECT   19   14                                                      
CONECT   20   14                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
