COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.705  -1.016   0.527  1.00  0.00           C  
HETATM    2  C   UNL     1       5.827  -1.815   0.418  1.00  0.00           C  
HETATM    3  C   UNL     1       6.632  -1.729  -0.703  1.00  0.00           C  
HETATM    4  C   UNL     1       6.314  -0.843  -1.715  1.00  0.00           C  
HETATM    5  C   UNL     1       5.191  -0.044  -1.607  1.00  0.00           C  
HETATM    6  C   UNL     1       2.211   3.405   2.113  1.00  0.00           C  
HETATM    7  N   UNL     1       2.075   2.450   1.005  1.00  0.00           N  
HETATM    8  C   UNL     1       0.871   1.625   1.166  1.00  0.00           C  
HETATM    9  C   UNL     1       0.682   0.747  -0.073  1.00  0.00           C  
HETATM   10  C   UNL     1       1.914  -0.145  -0.253  1.00  0.00           C  
HETATM   11  C   UNL     1       3.160   0.737  -0.370  1.00  0.00           C  
HETATM   12  C   UNL     1       3.276   1.615   0.877  1.00  0.00           C  
HETATM   13  C   UNL     1       4.384  -0.134  -0.488  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.508  -0.090   0.097  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.758   0.409  -0.230  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.892   1.722  -0.728  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.068   2.194  -1.036  1.00  0.00           N  
HETATM   18  N   UNL     1      -4.220   1.416  -0.883  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.526   1.975  -1.239  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.138   0.156  -0.412  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.147  -0.520  -0.286  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.885  -0.378  -0.077  1.00  0.00           C  
HETATM   23 BR   UNL     1      -2.740  -2.143   0.586  1.00  0.00          Br  
HETATM   24  H   UNL     1       4.077  -1.083   1.403  1.00  0.00           H  
HETATM   25  H   UNL     1       6.076  -2.507   1.209  1.00  0.00           H  
HETATM   26  H   UNL     1       7.509  -2.353  -0.787  1.00  0.00           H  
HETATM   27  H   UNL     1       6.945  -0.772  -2.589  1.00  0.00           H  
HETATM   28  H   UNL     1       4.943   0.649  -2.398  1.00  0.00           H  
HETATM   29  H   UNL     1       2.355   2.860   3.046  1.00  0.00           H  
HETATM   30  H   UNL     1       3.072   4.049   1.933  1.00  0.00           H  
HETATM   31  H   UNL     1       1.309   4.013   2.181  1.00  0.00           H  
HETATM   32  H   UNL     1       0.979   0.992   2.046  1.00  0.00           H  
HETATM   33  H   UNL     1       0.001   2.271   1.288  1.00  0.00           H  
HETATM   34  H   UNL     1       0.559   1.380  -0.952  1.00  0.00           H  
HETATM   35  H   UNL     1       2.014  -0.805   0.608  1.00  0.00           H  
HETATM   36  H   UNL     1       1.803  -0.741  -1.159  1.00  0.00           H  
HETATM   37  H   UNL     1       3.076   1.370  -1.254  1.00  0.00           H  
HETATM   38  H   UNL     1       4.155   2.255   0.791  1.00  0.00           H  
HETATM   39  H   UNL     1       3.374   0.982   1.759  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.016   2.341  -0.854  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.399   2.996  -1.599  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.980   1.367  -2.022  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.172   1.977  -0.360  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.421  -0.994   0.438  1.00  0.00           H  
CONECT    1   13   13    2   24                                       
CONECT    2    3    3    1   25                                       
CONECT    3    4    2    2   26                                       
CONECT    4    5    5    3   27                                       
CONECT    5    4    4   13   28                                       
CONECT    6    7   29   30   31                                       
CONECT    7    8   12    6                                            
CONECT    8    9    7   32   33                                       
CONECT    9   14   10    8   34                                       
CONECT   10    9   11   35   36                                       
CONECT   11   10   13   12   37                                       
CONECT   12   11    7   38   39                                       
CONECT   13    5   11    1    1                                       
CONECT   14   15    9   44                                            
CONECT   15   22   22   14   16                                       
CONECT   16   15   17   17   40                                       
CONECT   17   18   16   16                                            
CONECT   18   20   19   17                                            
CONECT   19   18   41   42   43                                       
CONECT   20   21   21   22   18                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   15   15                                       
CONECT   23   22                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   14                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
