COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.275   1.745   0.058  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.745   0.434   0.025  1.00  0.00           C  
HETATM    3  C   UNL     1       0.158  -0.627   0.009  1.00  0.00           C  
HETATM    4  C   UNL     1       1.516  -0.378   0.024  1.00  0.00           C  
HETATM    5  C   UNL     1       1.986   0.927   0.057  1.00  0.00           C  
HETATM    6  C   UNL     1       1.087   1.991   0.073  1.00  0.00           C  
HETATM    7  O   UNL     1       1.793   3.159   0.104  1.00  0.00           O  
HETATM    8  C   UNL     1       3.129   2.811  -0.307  1.00  0.00           C  
HETATM    9  O   UNL     1       3.256   1.429   0.078  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.205   0.168   0.009  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.156   1.078   0.023  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.393   0.422  -0.001  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.160  -0.916  -0.028  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.813  -1.101  -0.029  1.00  0.00           C  
HETATM   15 BR   UNL     1       2.739  -1.821   0.001  1.00  0.00          Br  
HETATM   16  C   UNL     1      -5.709   1.066   0.005  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.126  -1.918  -0.057  1.00  0.00           N  
HETATM   18  H   UNL     1      -0.973   2.569   0.067  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.205  -1.644  -0.016  1.00  0.00           H  
HETATM   20  H   UNL     1       3.238   2.920  -1.386  1.00  0.00           H  
HETATM   21  H   UNL     1       3.862   3.423   0.218  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.300  -2.051  -0.051  1.00  0.00           H  
HETATM   23  H   UNL     1      -6.028   1.248  -1.021  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.430   0.416   0.500  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.647   2.014   0.540  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.067  -1.684  -0.058  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.858  -2.850  -0.075  1.00  0.00           H  
CONECT    1    2    2    6   18                                       
CONECT    2    1    1    3   10                                       
CONECT    3    2    4    4   19                                       
CONECT    4    3    3    5   15                                       
CONECT    5    4    6    6    9                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   20   21                                       
CONECT    9    5    8                                                 
CONECT   10    2   11   11   14                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   16                                            
CONECT   13   12   14   14   17                                       
CONECT   14   10   13   13   22                                       
CONECT   15    4                                                      
CONECT   16   12   23   24   25                                       
CONECT   17   13   26   27                                            
CONECT   18    1                                                      
CONECT   19    3                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22   14                                                      
CONECT   23   16                                                      
CONECT   24   16                                                      
CONECT   25   16                                                      
CONECT   26   17                                                      
CONECT   27   17                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
