COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.904  -1.818  -1.305  1.00  0.00           C  
HETATM    2  C   UNL     1       3.835  -0.475  -0.626  1.00  0.00           C  
HETATM    3  C   UNL     1       2.592   0.305  -1.103  1.00  0.00           C  
HETATM    4  C   UNL     1       1.065   1.718   0.012  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.333   1.775  -0.017  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.409   0.772   0.007  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.615   1.488  -0.048  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.820   0.795  -0.040  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.824  -0.583   0.021  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.631  -1.290   0.075  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.427  -0.620   0.068  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.957   3.031  -0.084  1.00  0.00           C  
HETATM   13  C   UNL     1       1.123   4.021  -0.088  1.00  0.00           C  
HETATM   14  C   UNL     1       2.622   0.447   1.263  1.00  0.00           C  
HETATM   15  C   UNL     1       3.630  -0.650   0.885  1.00  0.00           C  
HETATM   16  C   UNL     1       3.292  -2.059   1.358  1.00  0.00           C  
HETATM   17  C   UNL     1       4.158  -1.755   2.595  1.00  0.00           C  
HETATM   18  C   UNL     1       4.896  -0.714   1.732  1.00  0.00           C  
HETATM   19  F   UNL     1       4.998   0.259  -0.880  1.00  0.00           F  
HETATM   20  N   UNL     1       1.723   0.503   0.079  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.316   2.839  -0.102  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.189   4.120  -0.118  1.00  0.00           N  
HETATM   23  N   UNL     1       1.748   2.861  -0.030  1.00  0.00           N  
HETATM   24  O   UNL     1       2.953  -2.231  -1.925  1.00  0.00           O  
HETATM   25  O   UNL     1       5.024  -2.553  -1.225  1.00  0.00           O  
HETATM   26 BR   UNL     1      -5.468  -1.517   0.031  1.00  0.00          Br  
HETATM   27  H   UNL     1       2.893   1.271  -1.509  1.00  0.00           H  
HETATM   28  H   UNL     1       2.063  -0.269  -1.864  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.754   1.335  -0.082  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.646  -2.368   0.123  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.500  -1.172   0.110  1.00  0.00           H  
HETATM   32  H   UNL     1       1.712   4.926  -0.121  1.00  0.00           H  
HETATM   33  H   UNL     1       2.064   0.166   2.157  1.00  0.00           H  
HETATM   34  H   UNL     1       3.128   1.402   1.408  1.00  0.00           H  
HETATM   35  H   UNL     1       2.236  -2.202   1.588  1.00  0.00           H  
HETATM   36  H   UNL     1       3.697  -2.845   0.720  1.00  0.00           H  
HETATM   37  H   UNL     1       3.599  -1.318   3.422  1.00  0.00           H  
HETATM   38  H   UNL     1       4.786  -2.591   2.903  1.00  0.00           H  
HETATM   39  H   UNL     1       5.758  -1.117   1.201  1.00  0.00           H  
HETATM   40  H   UNL     1       5.117   0.214   2.259  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.975   3.550  -0.146  1.00  0.00           H  
HETATM   42  H   UNL     1       5.021  -3.408  -1.677  1.00  0.00           H  
CONECT    1    2   24   24   25                                       
CONECT    2   15   19    3    1                                       
CONECT    3   20    2   27   28                                       
CONECT    4   23   20    5    5                                       
CONECT    5    4    4   12    6                                       
CONECT    6    5    7    7   11                                       
CONECT    7   21    6    6    8                                       
CONECT    8    7    9    9   29                                       
CONECT    9    8    8   10   26                                       
CONECT   10   11   11    9   30                                       
CONECT   11    6   10   10   31                                       
CONECT   12   22   22    5   21                                       
CONECT   13   23   23   22   32                                       
CONECT   14   15   20   33   34                                       
CONECT   15   18   14   16    2                                       
CONECT   16   17   15   35   36                                       
CONECT   17   18   16   37   38                                       
CONECT   18   17   15   39   40                                       
CONECT   19    2                                                      
CONECT   20   14    4    3                                            
CONECT   21   12    7   41                                            
CONECT   22   13   12   12                                            
CONECT   23   13   13    4                                            
CONECT   24    1    1                                                 
CONECT   25    1   42                                                 
CONECT   26    9                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
