COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.507   1.946   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       1.129   1.439   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       0.051   2.332  -0.003  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.238   1.852  -0.003  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.473   0.481   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.921   0.746  -0.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.517  -1.330  -0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.171  -1.317   0.005  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.407  -0.412   0.005  1.00  0.00           C  
HETATM   10  C   UNL     1       0.888   0.058   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.785  -0.001   0.002  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.948  -0.059  -0.001  1.00  0.00           N  
HETATM   13 BR   UNL     1       2.337  -1.157  -0.002  1.00  0.00          Br  
HETATM   14  H   UNL     1       2.691   3.010   0.002  1.00  0.00           H  
HETATM   15  H   UNL     1       0.232   3.397  -0.005  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.070   2.541  -0.006  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.966   1.825  -0.002  1.00  0.00           H  
HETATM   18  H   UNL     1      -5.142  -2.210   0.000  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.519  -2.179   0.008  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.595  -1.476   0.009  1.00  0.00           H  
HETATM   21  O   UNL     1       3.439   1.170   0.005  1.00  0.00           O  
CONECT    1    2   14   21   21                                       
CONECT    2    1    3    3   10                                       
CONECT    3    2    2    4   15                                       
CONECT    4    3    5    5   16                                       
CONECT    5    4    4    9   11                                       
CONECT    6   11   12   12   17                                       
CONECT    7    8    8   12   18                                       
CONECT    8   11    7    7   19                                       
CONECT    9   10   10    5   20                                       
CONECT   10    2   13    9    9                                       
CONECT   11    5    8    6                                            
CONECT   12    6    6    7                                            
CONECT   13   10                                                      
CONECT   14    1                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21    1    1                                                 
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
