COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.455   1.799  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       0.683   0.452  -0.002  1.00  0.00           C  
HETATM    3  C   UNL     1       2.071  -0.060  -0.004  1.00  0.00           C  
HETATM    4  C   UNL     1       3.758  -1.345   0.003  1.00  0.00           C  
HETATM    5  C   UNL     1       4.666  -2.548   0.008  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.650   0.009   0.003  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.936   1.333  -0.002  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.882   2.272   0.001  1.00  0.00           C  
HETATM    9  N   UNL     1       3.165   0.660  -0.005  1.00  0.00           N  
HETATM   10  N   UNL     1       2.448  -1.359   0.001  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.367  -0.426   0.001  1.00  0.00           N  
HETATM   12  O   UNL     1       1.495   2.673   0.002  1.00  0.00           O  
HETATM   13  O   UNL     1       4.138  -0.064  -0.007  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.118   3.472   0.006  1.00  0.00           O  
HETATM   15 BR   UNL     1      -3.062  -1.249  -0.001  1.00  0.00          Br  
HETATM   16  H   UNL     1       4.885  -2.842  -1.018  1.00  0.00           H  
HETATM   17  H   UNL     1       5.594  -2.300   0.522  1.00  0.00           H  
HETATM   18  H   UNL     1       4.174  -3.372   0.524  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.962   1.667   0.000  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.188  -1.380   0.004  1.00  0.00           H  
HETATM   21  H   UNL     1       1.228   3.602   0.006  1.00  0.00           H  
CONECT    1    2    2    8   12                                       
CONECT    2   11    3    1    1                                       
CONECT    3   10    9    9    2                                       
CONECT    4    5   10   10   13                                       
CONECT    5    4   16   17   18                                       
CONECT    6   15   11    7    7                                       
CONECT    7    6    6    8   19                                       
CONECT    8    7    1   14   14                                       
CONECT    9   13    3    3                                            
CONECT   10    4    4    3                                            
CONECT   11    6    2   20                                            
CONECT   12    1   21                                                 
CONECT   13    4    9                                                 
CONECT   14    8    8                                                 
CONECT   15    6                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    5                                                      
CONECT   19    7                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
