COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.076   0.537   2.682  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.955   0.341   3.493  1.00  0.00           O  
HETATM    3  C   UNL     1       0.350   0.586   2.135  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.666   0.361   3.068  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.339  -0.036   4.368  1.00  0.00           C  
HETATM    6  C   UNL     1       0.990  -0.194   4.724  1.00  0.00           C  
HETATM    7  C   UNL     1       1.993   0.032   3.788  1.00  0.00           C  
HETATM    8  C   UNL     1       1.670   0.420   2.501  1.00  0.00           C  
HETATM    9  N   UNL     1       1.323  -0.585   6.023  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.172  -0.212  -0.132  1.00  0.00           C  
HETATM   11  C   UNL     1       0.004   1.009   0.731  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.485  -0.077  -1.430  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.032  -1.314   0.343  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.007  -0.825  -3.688  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.656  -1.255  -2.262  1.00  0.00           C  
HETATM   16 BR   UNL     1       0.443   0.284  -4.414  1.00  0.00          Br  
HETATM   17  H   UNL     1      -2.326   0.840   1.676  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.119  -0.212   5.093  1.00  0.00           H  
HETATM   19  H   UNL     1       3.028  -0.094   4.067  1.00  0.00           H  
HETATM   20  H   UNL     1       2.454   0.594   1.779  1.00  0.00           H  
HETATM   21  H   UNL     1       2.253  -0.700   6.272  1.00  0.00           H  
HETATM   22  H   UNL     1       0.624  -0.740   6.678  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.921   1.583   0.742  1.00  0.00           H  
HETATM   24  H   UNL     1       0.809   1.625   0.328  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.135  -1.710  -4.313  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.933  -0.251  -3.677  1.00  0.00           H  
HETATM   27  H   UNL     1       0.269  -1.829  -2.273  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.461  -1.871  -1.860  1.00  0.00           H  
CONECT    1    2    2    4   17                                       
CONECT    2    1    1                                                 
CONECT    3    4    4    8   11                                       
CONECT    4    1    3    3    5                                       
CONECT    5    4    6    6   18                                       
CONECT    6    5    5    7    9                                       
CONECT    7    6    8    8   19                                       
CONECT    8    3    7    7   20                                       
CONECT    9    6   21   22                                            
CONECT   10   11   12   13   13                                       
CONECT   11    3   10   23   24                                       
CONECT   12   10   15                                                 
CONECT   13   10   10                                                 
CONECT   14   15   16   25   26                                       
CONECT   15   12   14   27   28                                       
CONECT   16   14                                                      
CONECT   17    1                                                      
CONECT   18    5                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    9                                                      
CONECT   22    9                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
