COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.322  -0.374  -0.195  1.00  0.00           C  
HETATM    2  C   UNL     1       1.017  -0.019  -0.037  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.586   0.318   0.008  1.00  0.00           C  
HETATM    4  C   UNL     1       0.360  -2.664  -0.094  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.675   1.328  -0.250  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.017   0.760   0.216  1.00  0.00           C  
HETATM    7  C   UNL     1       3.415  -0.645   0.258  1.00  0.00           C  
HETATM    8  C   UNL     1       0.021  -4.132  -0.125  1.00  0.00           C  
HETATM    9  N   UNL     1       1.616  -2.288   0.059  1.00  0.00           N  
HETATM   10  C   UNL     1       1.965  -1.016   0.087  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.311   0.602  -0.325  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.647  -1.730  -0.225  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.857  -0.750   0.514  1.00  0.00           O  
HETATM   14 BR   UNL     1       1.528   1.801   0.004  1.00  0.00          Br  
HETATM   15  H   UNL     1      -3.458   2.244   0.298  1.00  0.00           H  
HETATM   16  H   UNL     1      -3.723   1.545  -1.317  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.969   0.543   1.283  1.00  0.00           H  
HETATM   18  H   UNL     1      -5.805   1.491   0.029  1.00  0.00           H  
HETATM   19  H   UNL     1      -5.234  -0.156  -0.332  1.00  0.00           H  
HETATM   20  H   UNL     1       3.888  -0.567  -0.721  1.00  0.00           H  
HETATM   21  H   UNL     1       3.488   0.312   0.774  1.00  0.00           H  
HETATM   22  H   UNL     1       3.920  -1.413   0.845  1.00  0.00           H  
HETATM   23  H   UNL     1       0.066  -4.493  -1.153  1.00  0.00           H  
HETATM   24  H   UNL     1       0.737  -4.683   0.485  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.984  -4.281   0.269  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.081   1.485  -0.654  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.673  -2.044  -0.350  1.00  0.00           H  
CONECT    1    2    2   12   11                                       
CONECT    2   10    1    1   14                                       
CONECT    3   11   13   13    5                                       
CONECT    4    9    8   12   12                                       
CONECT    5    3    6   15   16                                       
CONECT    6    5   17   18   19                                       
CONECT    7   10   20   21   22                                       
CONECT    8    4   23   24   25                                       
CONECT    9   10   10    4                                            
CONECT   10    7    9    9    2                                       
CONECT   11    1    3   26                                            
CONECT   12    4    4    1   27                                       
CONECT   13    3    3                                                 
CONECT   14    2                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
