COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.502   1.153   0.559  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.442   2.228   0.075  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.197  -0.839  -0.131  1.00  0.00           C  
HETATM    4  C   UNL     1       1.114  -1.487   0.285  1.00  0.00           C  
HETATM    5  C   UNL     1       2.456  -0.892   0.173  1.00  0.00           C  
HETATM    6  C   UNL     1       3.526  -0.418   0.084  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.471  -0.534  -0.923  1.00  0.00           N  
HETATM    8  N   UNL     1      -3.825   3.214   0.910  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.230   0.164  -0.576  1.00  0.00           C  
HETATM   10  N   UNL     1       0.110  -0.512  -0.148  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.388  -1.989  -0.352  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.112  -1.271   0.005  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.661  -1.357   1.128  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.853   2.204  -1.065  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.543  -1.940   0.242  1.00  0.00           O  
HETATM   16 BR   UNL     1       5.258   0.351  -0.059  1.00  0.00          Br  
HETATM   17  H   UNL     1      -1.564   1.608   0.878  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.955   0.627   1.400  1.00  0.00           H  
HETATM   19  H   UNL     1       1.056  -2.373  -0.348  1.00  0.00           H  
HETATM   20  H   UNL     1       0.926  -1.768   1.321  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.831  -0.465  -1.821  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.496   3.233   1.822  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.429   3.906   0.598  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.861   0.704  -1.447  1.00  0.00           H  
HETATM   25  H   UNL     1       0.386   0.368  -0.446  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.152  -2.988  -0.719  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.021  -2.067   0.532  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.913  -1.431  -1.127  1.00  0.00           H  
CONECT    1    9    2   17   18                                       
CONECT    2    1   14   14    8                                       
CONECT    3   15   15   10    9                                       
CONECT    4   10    5   19   20                                       
CONECT    5    4    6    6    6                                       
CONECT    6    5    5    5   16                                       
CONECT    7    9   12   21                                            
CONECT    8    2   22   23                                            
CONECT    9    3    1    7   24                                       
CONECT   10    3    4   25                                            
CONECT   11   12   26   27   28                                       
CONECT   12    7   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14    2    2                                                 
CONECT   15    3    3                                                 
CONECT   16    6                                                      
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
