COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -2.364   0.893   0.000  1.00  0.00          Br  
HETATM    2  C   UNL     1      -0.893  -0.295   0.002  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.109  -1.661  -0.001  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.044  -2.545  -0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.298  -4.030  -0.004  1.00  0.00           C  
HETATM    6  C   UNL     1       1.251  -2.068   0.003  1.00  0.00           C  
HETATM    7  C   UNL     1       0.403   0.207   0.001  1.00  0.00           C  
HETATM    8  N   UNL     1       0.884   1.515  -0.001  1.00  0.00           N  
HETATM    9  C   UNL     1       2.228   1.544  -0.002  1.00  0.00           C  
HETATM   10  O   UNL     1       2.924   2.537  -0.003  1.00  0.00           O  
HETATM   11  C   UNL     1       2.710   0.123   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       1.481  -0.692   0.007  1.00  0.00           C  
HETATM   13  O   UNL     1       3.858  -0.269   0.000  1.00  0.00           O  
HETATM   14  H   UNL     1      -2.120  -2.042  -0.004  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.357  -4.386  -1.033  1.00  0.00           H  
HETATM   16  H   UNL     1       0.516  -4.540   0.511  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.238  -4.239   0.507  1.00  0.00           H  
HETATM   18  H   UNL     1       2.083  -2.757   0.004  1.00  0.00           H  
HETATM   19  H   UNL     1       0.321   2.305  -0.003  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   14                                       
CONECT    4    3    5    6    6                                       
CONECT    5    4   15   16   17                                       
CONECT    6    4    4   12   18                                       
CONECT    7    2    8   12   12                                       
CONECT    8    7    9   19                                            
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   13   13                                       
CONECT   12    7    7    6   11                                       
CONECT   13   11   11                                                 
CONECT   14    3                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    8                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
