COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1      -2.592  -1.418  -0.049  1.00  0.00          Br  
HETATM    2  C   UNL     1      -1.123  -0.235   0.094  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.319   1.125  -0.045  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.238   2.000   0.060  1.00  0.00           C  
HETATM    5  B   UNL     1      -0.458   3.546  -0.097  1.00  0.00           B  
HETATM    6  O   UNL     1      -1.760   4.056  -0.347  1.00  0.00           O  
HETATM    7  C   UNL     1       1.038   1.498   0.306  1.00  0.00           C  
HETATM    8  C   UNL     1       1.227   0.131   0.444  1.00  0.00           C  
HETATM    9  N   UNL     1       2.505  -0.377   0.690  1.00  0.00           N  
HETATM   10  C   UNL     1       2.704  -1.664  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       3.944  -1.508  -0.907  1.00  0.00           C  
HETATM   12  C   UNL     1       4.711  -0.330  -0.250  1.00  0.00           C  
HETATM   13  C   UNL     1       3.547   0.568   0.237  1.00  0.00           C  
HETATM   14  C   UNL     1       0.143  -0.733   0.343  1.00  0.00           C  
HETATM   15  H   UNL     1      -2.309   1.512  -0.236  1.00  0.00           H  
HETATM   16  H   UNL     1       0.450   4.279  -0.009  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.796   5.019  -0.428  1.00  0.00           H  
HETATM   18  H   UNL     1       1.879   2.171   0.387  1.00  0.00           H  
HETATM   19  H   UNL     1       2.875  -2.455   0.728  1.00  0.00           H  
HETATM   20  H   UNL     1       1.828  -1.899  -0.607  1.00  0.00           H  
HETATM   21  H   UNL     1       4.548  -2.416  -0.894  1.00  0.00           H  
HETATM   22  H   UNL     1       3.649  -1.258  -1.926  1.00  0.00           H  
HETATM   23  H   UNL     1       5.314  -0.677   0.589  1.00  0.00           H  
HETATM   24  H   UNL     1       5.328   0.191  -0.982  1.00  0.00           H  
HETATM   25  H   UNL     1       3.173   1.181  -0.583  1.00  0.00           H  
HETATM   26  H   UNL     1       3.874   1.198   1.064  1.00  0.00           H  
HETATM   27  H   UNL     1       0.290  -1.798   0.451  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3   14    1                                       
CONECT    3    4    2    2   15                                       
CONECT    4    5    7    7    3                                       
CONECT    5    6    4   16                                            
CONECT    6    5   17                                                 
CONECT    7    4    4    8   18                                       
CONECT    8    7    9   14   14                                       
CONECT    9   13    8   10                                            
CONECT   10    9   11   19   20                                       
CONECT   11   12   10   21   22                                       
CONECT   12   13   11   23   24                                       
CONECT   13   12    9   25   26                                       
CONECT   14    8    8    2   27                                       
CONECT   15    3                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19   10                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
