COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.410   2.941   0.429  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.805   1.926  -0.104  1.00  0.00           C  
HETATM    3  C   UNL     1       0.054   0.737  -0.242  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.214   1.812  -0.659  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.724   0.406  -0.316  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.137   0.223  -0.876  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.668  -1.153  -0.467  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.683  -1.257   0.998  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.330  -1.133   1.553  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.758   0.243   1.205  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.852  -0.569  -0.884  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.524  -0.481  -0.634  1.00  0.00           C  
HETATM   13  C   UNL     1       0.280  -1.605  -0.755  1.00  0.00           C  
HETATM   14  C   UNL     1       1.636  -1.516  -0.507  1.00  0.00           C  
HETATM   15  C   UNL     1       2.210  -0.310  -0.136  1.00  0.00           C  
HETATM   16 BR   UNL     1       4.069  -0.212   0.193  1.00  0.00          Br  
HETATM   17  C   UNL     1       1.424   0.814   0.015  1.00  0.00           C  
HETATM   18  H   UNL     1      -2.857   2.563  -0.198  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.200   1.950  -1.740  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.790   0.999  -0.476  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.109   0.295  -1.963  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.681  -1.280  -0.851  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.023  -1.928  -0.880  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.305  -0.573   1.402  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.370  -1.247   2.637  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.691  -1.909   1.131  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.747   0.328   1.603  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.388   1.019   1.640  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.154  -2.551  -1.044  1.00  0.00           H  
HETATM   30  H   UNL     1       2.255  -2.396  -0.603  1.00  0.00           H  
HETATM   31  H   UNL     1       1.869   1.752   0.312  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3   12    2   17   17                                       
CONECT    4    5    2   18   19                                       
CONECT    5    6   10   11    4                                       
CONECT    6    7    5   20   21                                       
CONECT    7    8    6   22   23                                       
CONECT    8    7    9   24                                            
CONECT    9    8   10   25   26                                       
CONECT   10    9    5   27   28                                       
CONECT   11    5   12                                                 
CONECT   12   11   13   13    3                                       
CONECT   13   12   12   14   29                                       
CONECT   14   13   15   15   30                                       
CONECT   15   14   14   17   16                                       
CONECT   16   15                                                      
CONECT   17    3    3   15   31                                       
CONECT   18    4                                                      
CONECT   19    4                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
