COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       8.048  -2.158   1.650  1.00  0.00           F  
HETATM    2  C   UNL     1       7.401  -1.426   0.716  1.00  0.00           C  
HETATM    3  C   UNL     1       6.099  -1.744   0.368  1.00  0.00           C  
HETATM    4  C   UNL     1       8.037  -0.355   0.113  1.00  0.00           C  
HETATM    5  C   UNL     1       7.372   0.394  -0.843  1.00  0.00           C  
HETATM    6  F   UNL     1       7.992   1.439  -1.433  1.00  0.00           F  
HETATM    7  C   UNL     1       6.072   0.071  -1.194  1.00  0.00           C  
HETATM    8  C   UNL     1       5.437  -0.995  -0.587  1.00  0.00           C  
HETATM    9  C   UNL     1       4.020  -1.342  -0.966  1.00  0.00           C  
HETATM   10  N   UNL     1       3.088  -0.610  -0.098  1.00  0.00           N  
HETATM   11  C   UNL     1       3.176   0.838  -0.335  1.00  0.00           C  
HETATM   12  C   UNL     1       2.328   1.574   0.707  1.00  0.00           C  
HETATM   13  C   UNL     1       1.713  -1.095  -0.274  1.00  0.00           C  
HETATM   14  C   UNL     1       0.804  -0.438   0.770  1.00  0.00           C  
HETATM   15  N   UNL     1       0.965   1.021   0.677  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.107   1.830   0.567  1.00  0.00           C  
HETATM   17  O   UNL     1       0.037   3.037   0.582  1.00  0.00           O  
HETATM   18  N   UNL     1      -1.340   1.300   0.439  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.493   2.175   0.207  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.743   1.340   0.102  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.481   1.054   1.236  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.628   0.289   1.140  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.156   0.866  -1.129  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.303   0.101  -1.226  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.038  -0.190  -0.091  1.00  0.00           C  
HETATM   26 BR   UNL     1      -7.607  -1.237  -0.223  1.00  0.00          Br  
HETATM   27  H   UNL     1       5.601  -2.577   0.842  1.00  0.00           H  
HETATM   28  H   UNL     1       9.051  -0.104   0.387  1.00  0.00           H  
HETATM   29  H   UNL     1       5.554   0.656  -1.939  1.00  0.00           H  
HETATM   30  H   UNL     1       3.843  -1.065  -2.005  1.00  0.00           H  
HETATM   31  H   UNL     1       3.863  -2.414  -0.844  1.00  0.00           H  
HETATM   32  H   UNL     1       4.214   1.157  -0.250  1.00  0.00           H  
HETATM   33  H   UNL     1       2.805   1.066  -1.334  1.00  0.00           H  
HETATM   34  H   UNL     1       2.759   1.431   1.698  1.00  0.00           H  
HETATM   35  H   UNL     1       2.297   2.638   0.469  1.00  0.00           H  
HETATM   36  H   UNL     1       1.362  -0.840  -1.274  1.00  0.00           H  
HETATM   37  H   UNL     1       1.690  -2.178  -0.147  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.234  -0.705   0.573  1.00  0.00           H  
HETATM   39  H   UNL     1       1.087  -0.777   1.767  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.464   0.340   0.500  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.591   2.874   1.038  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.347   2.730  -0.719  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.160   1.429   2.197  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.203   0.065   2.026  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.582   1.093  -2.015  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.625  -0.270  -2.188  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    4                                       
CONECT    3    2    2    8   27                                       
CONECT    4    2    5    5   28                                       
CONECT    5    4    4    7    6                                       
CONECT    6    5                                                      
CONECT    7    8    8    5   29                                       
CONECT    8    3    9    7    7                                       
CONECT    9   10    8   30   31                                       
CONECT   10   11   13    9                                            
CONECT   11   12   10   32   33                                       
CONECT   12   15   11   34   35                                       
CONECT   13   14   10   36   37                                       
CONECT   14   15   13   38   39                                       
CONECT   15   16   12   14                                            
CONECT   16   18   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   40                                            
CONECT   19   20   18   41   42                                       
CONECT   20   23   19   21   21                                       
CONECT   21   20   20   22   43                                       
CONECT   22   25   25   21   44                                       
CONECT   23   24   24   20   45                                       
CONECT   24   23   23   25   46                                       
CONECT   25   24   26   22   22                                       
CONECT   26   25                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
