COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.597  -2.255   0.623  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.807  -1.282  -0.947  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.210  -1.735  -0.841  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.648   0.824   0.195  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.337   0.421  -0.112  1.00  0.00           C  
HETATM    6  C   UNL     1       0.011   0.871  -0.225  1.00  0.00           C  
HETATM    7  O   UNL     1       2.381   0.397   0.617  1.00  0.00           O  
HETATM    8  C   UNL     1       2.574  -0.392  -0.284  1.00  0.00           C  
HETATM    9  C   UNL     1       3.966  -0.904  -0.551  1.00  0.00           C  
HETATM   10  N   UNL     1       4.955  -0.013   0.073  1.00  0.00           N  
HETATM   11  C   UNL     1       5.136   1.289  -0.224  1.00  0.00           C  
HETATM   12  C   UNL     1       6.192   2.086   0.498  1.00  0.00           C  
HETATM   13  C   UNL     1       6.190   3.525  -0.023  1.00  0.00           C  
HETATM   14  O   UNL     1       4.450   1.819  -1.071  1.00  0.00           O  
HETATM   15  C   UNL     1       5.715  -0.779   1.077  1.00  0.00           C  
HETATM   16  C   UNL     1       4.143  -2.300   0.084  1.00  0.00           C  
HETATM   17  O   UNL     1       3.213  -2.491   1.153  1.00  0.00           O  
HETATM   18  N   UNL     1       1.544  -0.811  -1.046  1.00  0.00           N  
HETATM   19  C   UNL     1       0.240  -0.411  -0.739  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.116  -0.877  -0.638  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.466  -1.310  -0.532  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.684  -0.034  -0.015  1.00  0.00           C  
HETATM   23 BR   UNL     1      -6.446   0.513   0.401  1.00  0.00          Br  
HETATM   24  C   UNL     1      -1.245   1.283   0.092  1.00  0.00           C  
HETATM   25  H   UNL     1       6.313  -2.479  -0.168  1.00  0.00           H  
HETATM   26  H   UNL     1       5.723  -2.935   1.465  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.623  -2.267  -1.348  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.056  -2.726  -1.241  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.832   1.810   0.597  1.00  0.00           H  
HETATM   30  H   UNL     1       0.846   1.537  -0.065  1.00  0.00           H  
HETATM   31  H   UNL     1       4.141  -0.958  -1.625  1.00  0.00           H  
HETATM   32  H   UNL     1       5.979   2.087   1.567  1.00  0.00           H  
HETATM   33  H   UNL     1       7.170   1.638   0.322  1.00  0.00           H  
HETATM   34  H   UNL     1       5.212   3.974   0.153  1.00  0.00           H  
HETATM   35  H   UNL     1       6.953   4.102   0.498  1.00  0.00           H  
HETATM   36  H   UNL     1       6.402   3.524  -1.092  1.00  0.00           H  
HETATM   37  H   UNL     1       5.274  -0.650   2.066  1.00  0.00           H  
HETATM   38  H   UNL     1       6.759  -0.466   1.083  1.00  0.00           H  
HETATM   39  H   UNL     1       4.034  -3.082  -0.668  1.00  0.00           H  
HETATM   40  H   UNL     1       3.333  -3.320   1.635  1.00  0.00           H  
HETATM   41  H   UNL     1       1.708  -1.390  -1.807  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.305  -1.972  -0.689  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.405   2.275   0.488  1.00  0.00           H  
CONECT    1   16   15   25   26                                       
CONECT    2   19   19   20   27                                       
CONECT    3   20   20   21   28                                       
CONECT    4    5    5   22   29                                       
CONECT    5   24    4    4   20                                       
CONECT    6   24   24   19   30                                       
CONECT    7    8    8                                                 
CONECT    8    9   18    7    7                                       
CONECT    9   16    8   10   31                                       
CONECT   10   15    9   11                                            
CONECT   11   10   12   14   14                                       
CONECT   12   11   13   32   33                                       
CONECT   13   12   34   35   36                                       
CONECT   14   11   11                                                 
CONECT   15    1   10   37   38                                       
CONECT   16   17    1    9   39                                       
CONECT   17   16   40                                                 
CONECT   18    8   19   41                                            
CONECT   19    6   18    2    2                                       
CONECT   20    5    2    3    3                                       
CONECT   21   22   22    3   42                                       
CONECT   22    4   23   21   21                                       
CONECT   23   22                                                      
CONECT   24    6    6    5   43                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   24                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
