COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 BR   UNL     1       0.555   0.093  -7.201  1.00  0.00          Br  
HETATM    2  C   UNL     1       0.449  -0.185  -5.334  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.642   0.270  -4.621  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.728   0.075  -3.318  1.00  0.00           N  
HETATM    5  C   UNL     1       0.223  -0.550  -2.645  1.00  0.00           C  
HETATM    6  C   UNL     1       1.351  -1.036  -3.299  1.00  0.00           C  
HETATM    7  C   UNL     1       1.468  -0.852  -4.665  1.00  0.00           C  
HETATM    8  N   UNL     1       0.092  -0.729  -1.269  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.044  -0.359  -0.646  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.991   0.038  -1.296  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.130  -0.431   0.696  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.366  -0.029   1.372  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.816  -0.862   2.576  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.244   0.541   2.787  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.862   0.647   3.377  1.00  0.00           C  
HETATM   16  C   UNL     1       0.149   1.260   2.660  1.00  0.00           C  
HETATM   17  F   UNL     1      -0.105   1.761   1.432  1.00  0.00           F  
HETATM   18  C   UNL     1       1.427   1.363   3.196  1.00  0.00           C  
HETATM   19  C   UNL     1       1.699   0.857   4.446  1.00  0.00           C  
HETATM   20  C   UNL     1       0.684   0.234   5.183  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.605   0.126   4.635  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.596  -0.474   5.339  1.00  0.00           O  
HETATM   23  C   UNL     1       0.967  -0.307   6.516  1.00  0.00           C  
HETATM   24  O   UNL     1       0.085  -0.846   7.151  1.00  0.00           O  
HETATM   25  C   UNL     1       2.353  -0.194   7.096  1.00  0.00           C  
HETATM   26  C   UNL     1       2.377  -0.834   8.486  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.436   0.789  -5.136  1.00  0.00           H  
HETATM   28  H   UNL     1       2.124  -1.549  -2.747  1.00  0.00           H  
HETATM   29  H   UNL     1       2.333  -1.218  -5.199  1.00  0.00           H  
HETATM   30  H   UNL     1       0.819  -1.119  -0.759  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.375  -0.749   1.214  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.142   0.383   0.728  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.192  -1.708   2.864  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.888  -0.996   2.722  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.940   1.330   3.073  1.00  0.00           H  
HETATM   36  H   UNL     1       2.211   1.844   2.628  1.00  0.00           H  
HETATM   37  H   UNL     1       2.694   0.940   4.858  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.578  -1.411   5.101  1.00  0.00           H  
HETATM   39  H   UNL     1       2.629   0.856   7.175  1.00  0.00           H  
HETATM   40  H   UNL     1       3.061  -0.709   6.447  1.00  0.00           H  
HETATM   41  H   UNL     1       3.379  -0.753   8.906  1.00  0.00           H  
HETATM   42  H   UNL     1       1.668  -0.320   9.135  1.00  0.00           H  
HETATM   43  H   UNL     1       2.100  -1.885   8.407  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   27                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6    8                                       
CONECT    6    5    7    7   28                                       
CONECT    7    2    6    6   29                                       
CONECT    8    5    9   30                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   31                                            
CONECT   12   11   13   14   32                                       
CONECT   13   12   14   33   34                                       
CONECT   14   12   13   15   35                                       
CONECT   15   14   16   16   21                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16                                                      
CONECT   18   16   19   19   36                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   21   21   23                                       
CONECT   21   15   20   20   22                                       
CONECT   22   21   38                                                 
CONECT   23   20   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   39   40                                       
CONECT   26   25   41   42   43                                       
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
