COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.279   0.539  -0.014  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.067   1.171   0.222  1.00  0.00           C  
HETATM    3  C   UNL     1       3.611  -1.297  -2.068  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.612  -1.518  -0.095  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.255  -1.538   0.226  1.00  0.00           C  
HETATM    6  C   UNL     1       0.920  -0.939  -0.208  1.00  0.00           C  
HETATM    7  C   UNL     1       2.116  -1.623  -0.118  1.00  0.00           C  
HETATM    8  C   UNL     1       2.145  -2.904   0.403  1.00  0.00           C  
HETATM    9  C   UNL     1       0.976  -3.503   0.836  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.223  -2.825   0.749  1.00  0.00           C  
HETATM   11  C   UNL     1       3.392  -0.974  -0.589  1.00  0.00           C  
HETATM   12  C   UNL     1       4.245   1.197   0.036  1.00  0.00           C  
HETATM   13  C   UNL     1       5.572   0.638   0.456  1.00  0.00           C  
HETATM   14  C   UNL     1       4.569  -1.513   0.229  1.00  0.00           C  
HETATM   15 BR   UNL     1      -7.893   1.522   0.029  1.00  0.00          Br  
HETATM   16  N   UNL     1      -3.937   0.499   0.190  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.908  -0.803  -0.069  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.088  -1.503  -0.315  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.294  -0.821  -0.288  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.579  -2.709  -0.331  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.467  -0.846   0.142  1.00  0.00           N  
HETATM   22  N   UNL     1       3.291   0.473  -0.419  1.00  0.00           N  
HETATM   23  O   UNL     1       5.716  -0.696  -0.038  1.00  0.00           O  
HETATM   24  C   UNL     1       6.693   1.514  -0.105  1.00  0.00           C  
HETATM   25  F   UNL     1       6.558   2.817   0.387  1.00  0.00           F  
HETATM   26  F   UNL     1       7.931   0.994   0.286  1.00  0.00           F  
HETATM   27  F   UNL     1       6.615   1.533  -1.502  1.00  0.00           F  
HETATM   28  C   UNL     1       5.656   0.624   1.984  1.00  0.00           C  
HETATM   29  N   UNL     1       4.044   2.548   0.145  1.00  0.00           N  
HETATM   30  H   UNL     1      -5.051   2.230   0.436  1.00  0.00           H  
HETATM   31  H   UNL     1       2.772  -0.917  -2.651  1.00  0.00           H  
HETATM   32  H   UNL     1       4.533  -0.828  -2.410  1.00  0.00           H  
HETATM   33  H   UNL     1       3.683  -2.377  -2.197  1.00  0.00           H  
HETATM   34  H   UNL     1       0.898   0.061  -0.616  1.00  0.00           H  
HETATM   35  H   UNL     1       3.082  -3.437   0.472  1.00  0.00           H  
HETATM   36  H   UNL     1       1.002  -4.504   1.242  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.135  -3.293   1.088  1.00  0.00           H  
HETATM   38  H   UNL     1       4.327  -1.471   1.291  1.00  0.00           H  
HETATM   39  H   UNL     1       4.775  -2.543  -0.061  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.062  -2.562  -0.524  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.224  -1.337  -0.475  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.485   0.117   0.254  1.00  0.00           H  
HETATM   43  H   UNL     1       4.856   0.003   2.386  1.00  0.00           H  
HETATM   44  H   UNL     1       6.620   0.218   2.290  1.00  0.00           H  
HETATM   45  H   UNL     1       5.554   1.641   2.363  1.00  0.00           H  
HETATM   46  H   UNL     1       3.195   2.935  -0.120  1.00  0.00           H  
HETATM   47  H   UNL     1       4.751   3.118   0.486  1.00  0.00           H  
CONECT    1   15   19   19    2                                       
CONECT    2    1   16   16   30                                       
CONECT    3   11   31   32   33                                       
CONECT    4   17   21   20   20                                       
CONECT    5   21    6    6   10                                       
CONECT    6    5    5    7   34                                       
CONECT    7    6   11    8    8                                       
CONECT    8    7    7    9   35                                       
CONECT    9   10   10    8   36                                       
CONECT   10    5    9    9   37                                       
CONECT   11   22   14    7    3                                       
CONECT   12   29   13   22   22                                       
CONECT   13   28   24   12   23                                       
CONECT   14   23   11   38   39                                       
CONECT   15    1                                                      
CONECT   16    2    2   17                                            
CONECT   17   18   18   16    4                                       
CONECT   18   19   17   17   40                                       
CONECT   19    1    1   18   41                                       
CONECT   20    4    4                                                 
CONECT   21    4    5   42                                            
CONECT   22   12   12   11                                            
CONECT   23   13   14                                                 
CONECT   24   26   27   13   25                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   13   43   44   45                                       
CONECT   29   12   46   47                                            
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
