COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.881  -0.607   0.356  1.00  0.00           O  
HETATM    2  C   UNL     1       5.910   0.022  -0.232  1.00  0.00           C  
HETATM    3  C   UNL     1       6.430   1.315   0.343  1.00  0.00           C  
HETATM    4  O   UNL     1       6.420  -0.447  -1.221  1.00  0.00           O  
HETATM    5  C   UNL     1       5.524   2.468  -0.095  1.00  0.00           C  
HETATM    6  C   UNL     1       6.120   3.794   0.383  1.00  0.00           C  
HETATM    7  N   UNL     1       7.795   1.553  -0.144  1.00  0.00           N  
HETATM    8  O   UNL     1       5.422   2.478  -1.520  1.00  0.00           O  
HETATM    9  C   UNL     1       4.433  -1.848  -0.252  1.00  0.00           C  
HETATM   10  C   UNL     1       3.279  -2.407   0.539  1.00  0.00           C  
HETATM   11  C   UNL     1       2.218  -2.861  -0.082  1.00  0.00           C  
HETATM   12  C   UNL     1       1.063  -3.419   0.709  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.168  -2.718   0.337  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.533  -1.602   1.009  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.775  -0.935   0.590  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.502  -1.500  -0.481  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.030  -2.625  -1.075  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.930  -3.192  -0.683  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.238   0.220   1.217  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.409   0.804   0.784  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.127   0.251  -0.270  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.685  -0.891  -0.902  1.00  0.00           C  
HETATM   23 CL   UNL     1      -3.992   2.243   1.561  1.00  0.00          Cl  
HETATM   24 BR   UNL     1      -5.730   1.074  -0.843  1.00  0.00          Br  
HETATM   25  O   UNL     1       0.140  -1.166   1.925  1.00  0.00           O  
HETATM   26  H   UNL     1       6.438   1.252   1.431  1.00  0.00           H  
HETATM   27  H   UNL     1       4.533   2.337   0.340  1.00  0.00           H  
HETATM   28  H   UNL     1       7.110   3.925  -0.052  1.00  0.00           H  
HETATM   29  H   UNL     1       5.475   4.615   0.071  1.00  0.00           H  
HETATM   30  H   UNL     1       6.198   3.786   1.470  1.00  0.00           H  
HETATM   31  H   UNL     1       7.815   1.616  -1.151  1.00  0.00           H  
HETATM   32  H   UNL     1       8.190   2.381   0.277  1.00  0.00           H  
HETATM   33  H   UNL     1       4.861   3.185  -1.869  1.00  0.00           H  
HETATM   34  H   UNL     1       4.113  -1.656  -1.276  1.00  0.00           H  
HETATM   35  H   UNL     1       5.252  -2.567  -0.256  1.00  0.00           H  
HETATM   36  H   UNL     1       3.325  -2.433   1.618  1.00  0.00           H  
HETATM   37  H   UNL     1       2.171  -2.834  -1.160  1.00  0.00           H  
HETATM   38  H   UNL     1       0.956  -4.482   0.493  1.00  0.00           H  
HETATM   39  H   UNL     1       1.252  -3.282   1.774  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.602  -4.084  -1.196  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.684   0.654   2.036  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.250  -1.312  -1.720  1.00  0.00           H  
CONECT    1    2    9                                                 
CONECT    2    3    4    4    1                                       
CONECT    3    7    5    2   26                                       
CONECT    4    2    2                                                 
CONECT    5    8    3    6   27                                       
CONECT    6    5   28   29   30                                       
CONECT    7    3   31   32                                            
CONECT    8    5   33                                                 
CONECT    9    1   10   34   35                                       
CONECT   10   11   11    9   36                                       
CONECT   11   10   10   12   37                                       
CONECT   12   13   11   38   39                                       
CONECT   13   14   18   12                                            
CONECT   14   15   25   25   13                                       
CONECT   15   19   19   16   14                                       
CONECT   16   22   22   15   17                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   13   40                                       
CONECT   19   20   15   15   41                                       
CONECT   20   23   21   21   19                                       
CONECT   21   24   20   20   22                                       
CONECT   22   21   16   16   42                                       
CONECT   23   20                                                      
CONECT   24   21                                                      
CONECT   25   14   14                                                 
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
