COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -2.952  -0.605   0.000  1.00  0.00          Br  
HETATM    2  C   UNL     1      -1.070  -0.415  -0.002  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.397   0.772  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.970   2.085   0.002  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.424   3.126   0.004  1.00  0.00           N  
HETATM    6  N   UNL     1      -0.176  -1.443   0.002  1.00  0.00           N  
HETATM    7  C   UNL     1       1.105  -0.965   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.035   0.433  -0.002  1.00  0.00           C  
HETATM    9  C   UNL     1       2.228   1.182  -0.002  1.00  0.00           C  
HETATM   10  O   UNL     1       2.202   2.401   0.000  1.00  0.00           O  
HETATM   11  N   UNL     1       2.308  -1.557   0.002  1.00  0.00           N  
HETATM   12  C   UNL     1       3.415  -0.850   0.000  1.00  0.00           C  
HETATM   13  N   UNL     1       4.622  -1.504   0.002  1.00  0.00           N  
HETATM   14  N   UNL     1       3.404   0.513  -0.004  1.00  0.00           N  
HETATM   15  H   UNL     1      -0.415  -2.383   0.006  1.00  0.00           H  
HETATM   16  H   UNL     1       4.647  -2.474   0.005  1.00  0.00           H  
HETATM   17  H   UNL     1       5.448  -0.997   0.000  1.00  0.00           H  
HETATM   18  H   UNL     1       4.240   1.004  -0.004  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4    8                                       
CONECT    4    3    5    5    5                                       
CONECT    5    4    4    4                                            
CONECT    6    2    7   15                                            
CONECT    7    6    8    8   11                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9                                                 
CONECT   11    7   12   12                                            
CONECT   12   11   11   13   14                                       
CONECT   13   12   16   17                                            
CONECT   14    9   12   18                                            
CONECT   15    6                                                      
CONECT   16   13                                                      
CONECT   17   13                                                      
CONECT   18   14                                                      
MASTER        0    0    0    0    0    0    0    0   18    0   18    0
END
