COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.537  -5.550  -1.879  1.00  0.00           O  
HETATM    2  N   UNL     1       1.365  -5.584  -0.986  1.00  0.00           N1+
HETATM    3  O   UNL     1       2.523  -5.863  -1.240  1.00  0.00           O1-
HETATM    4  C   UNL     1       0.965  -5.281   0.406  1.00  0.00           C  
HETATM    5  C   UNL     1       1.298  -6.149   1.426  1.00  0.00           C  
HETATM    6  C   UNL     1       0.924  -5.867   2.728  1.00  0.00           C  
HETATM    7  C   UNL     1       0.216  -4.714   3.017  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.123  -3.837   2.007  1.00  0.00           C  
HETATM    9  C   UNL     1       0.255  -4.114   0.691  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.100  -3.177  -0.396  1.00  0.00           C  
HETATM   11  O   UNL     1       0.332  -3.355  -1.518  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.903  -2.124  -0.142  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.255  -1.196  -1.219  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.157  -0.116  -0.678  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.522  -0.194  -0.871  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.350   0.796  -0.374  1.00  0.00           C  
HETATM   17 BR   UNL     1      -6.219   0.686  -0.641  1.00  0.00          Br  
HETATM   18  C   UNL     1      -3.813   1.867   0.318  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.448   1.949   0.514  1.00  0.00           C  
HETATM   20 BR   UNL     1      -1.714   3.413   1.460  1.00  0.00          Br  
HETATM   21  C   UNL     1      -1.616   0.953   0.021  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.273   1.029   0.217  1.00  0.00           O  
HETATM   23  C   UNL     1       0.447   1.674  -0.721  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.108   2.157  -1.688  1.00  0.00           O  
HETATM   25  C   UNL     1       1.912   1.796  -0.573  1.00  0.00           C  
HETATM   26  C   UNL     1       2.554   1.237   0.534  1.00  0.00           C  
HETATM   27  C   UNL     1       2.661   2.464  -1.544  1.00  0.00           C  
HETATM   28  C   UNL     1       4.028   2.573  -1.401  1.00  0.00           C  
HETATM   29  C   UNL     1       4.658   2.022  -0.298  1.00  0.00           C  
HETATM   30  C   UNL     1       3.921   1.353   0.666  1.00  0.00           C  
HETATM   31 BR   UNL     1       6.534   2.176  -0.110  1.00  0.00          Br  
HETATM   32  H   UNL     1       1.850  -7.050   1.207  1.00  0.00           H  
HETATM   33  H   UNL     1       1.187  -6.549   3.522  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.073  -4.499   4.035  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.676  -2.938   2.233  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.248  -1.982   0.753  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.348  -0.744  -1.621  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.773  -1.737  -2.011  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.944  -1.029  -1.411  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.462   2.639   0.706  1.00  0.00           H  
HETATM   41  H   UNL     1       1.980   0.716   1.286  1.00  0.00           H  
HETATM   42  H   UNL     1       2.171   2.894  -2.405  1.00  0.00           H  
HETATM   43  H   UNL     1       4.609   3.090  -2.151  1.00  0.00           H  
HETATM   44  H   UNL     1       4.419   0.922   1.522  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2                                                      
CONECT    4    2    9    9    5                                       
CONECT    5    4    6    6   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    8    8    6   34                                       
CONECT    8    9    7    7   35                                       
CONECT    9   10    4    4    8                                       
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   36                                            
CONECT   13   14   12   37   38                                       
CONECT   14   15   13   21   21                                       
CONECT   15   16   16   14   39                                       
CONECT   16   17   15   15   18                                       
CONECT   17   16                                                      
CONECT   18   16   19   19   40                                       
CONECT   19   18   18   21   20                                       
CONECT   20   19                                                      
CONECT   21   14   14   19   22                                       
CONECT   22   23   21                                                 
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   26   27                                       
CONECT   26   25   25   30   41                                       
CONECT   27   25   28   28   42                                       
CONECT   28   27   27   29   43                                       
CONECT   29   30   30   28   31                                       
CONECT   30   26   29   29   44                                       
CONECT   31   29                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   30                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
