COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -2.239  -0.810   0.001  1.00  0.00          Br  
HETATM    2  C   UNL     1      -0.617   0.162   0.002  1.00  0.00           C  
HETATM    3  C   UNL     1       0.590  -0.510   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       1.784   0.208   0.001  1.00  0.00           C  
HETATM    5  B   UNL     1       3.159  -0.550  -0.001  1.00  0.00           B  
HETATM    6  O   UNL     1       3.187  -1.970  -0.003  1.00  0.00           O  
HETATM    7  O   UNL     1       4.374   0.183   0.000  1.00  0.00           O  
HETATM    8  C   UNL     1       1.754   1.602   0.003  1.00  0.00           C  
HETATM    9  C   UNL     1       0.544   2.263   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.640   1.546  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.959   2.275  -0.007  1.00  0.00           C  
HETATM   12  H   UNL     1       0.607  -1.590  -0.001  1.00  0.00           H  
HETATM   13  H   UNL     1       4.078  -2.346  -0.004  1.00  0.00           H  
HETATM   14  H   UNL     1       5.168  -0.370  -0.001  1.00  0.00           H  
HETATM   15  H   UNL     1       2.677   2.162   0.004  1.00  0.00           H  
HETATM   16  H   UNL     1       0.519   3.343   0.006  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.280   2.453   1.020  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.846   3.228  -0.523  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.706   1.670  -0.521  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    1   10   10                                       
CONECT    3    4    4    2   12                                       
CONECT    4    5    3    3    8                                       
CONECT    5    7    6    4                                            
CONECT    6    5   13                                                 
CONECT    7    5   14                                                 
CONECT    8    4    9    9   15                                       
CONECT    9    8    8   10   16                                       
CONECT   10    2    2    9   11                                       
CONECT   11   10   17   18   19                                       
CONECT   12    3                                                      
CONECT   13    6                                                      
CONECT   14    7                                                      
CONECT   15    8                                                      
CONECT   16    9                                                      
CONECT   17   11                                                      
CONECT   18   11                                                      
CONECT   19   11                                                      
MASTER        0    0    0    0    0    0    0    0   19    0   19    0
END
