COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O5* UNL     1      -1.405   2.285   5.403  1.00  0.00           O  
HETATM    2  C5* UNL     1      -0.444   1.229   5.453  1.00  0.00           C  
HETATM    3  C4* UNL     1      -0.872   0.105   4.507  1.00  0.00           C  
HETATM    4  O4* UNL     1      -0.882   0.569   3.139  1.00  0.00           O  
HETATM    5  C1* UNL     1      -0.784  -0.594   2.301  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.016  -0.276   1.095  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.595  -0.445  -0.129  1.00  0.00           C  
HETATM    8  C   UNL     1       1.240   0.180   1.218  1.00  0.00           C  
HETATM    9  O   UNL     1       1.714   0.315   2.329  1.00  0.00           O  
HETATM   10  N   UNL     1       1.993   0.484   0.146  1.00  0.00           N  
HETATM   11  C   UNL     1       1.493   0.344  -1.099  1.00  0.00           C  
HETATM   12  O   UNL     1       2.168   0.622  -2.074  1.00  0.00           O  
HETATM   13  C   UNL     1       0.117  -0.149  -1.256  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.478  -0.319  -2.596  1.00  0.00           C  
HETATM   15  C   UNL     1       0.187   0.077  -3.674  1.00  0.00           C  
HETATM   16 BR   UNL     1      -0.631  -0.008  -5.376  1.00  0.00          Br  
HETATM   17  C2* UNL     1      -0.060  -1.685   3.114  1.00  0.00           C  
HETATM   18  C3* UNL     1       0.180  -1.031   4.499  1.00  0.00           C  
HETATM   19  O3* UNL     1      -0.061  -1.966   5.553  1.00  0.00           O  
HETATM   20  H5* UNL     1      -1.098   2.971   6.012  1.00  0.00           H  
HETATM   21 H5*1 UNL     1       0.530   1.609   5.148  1.00  0.00           H  
HETATM   22 H5*2 UNL     1      -0.381   0.843   6.471  1.00  0.00           H  
HETATM   23  H4* UNL     1      -1.851  -0.280   4.789  1.00  0.00           H  
HETATM   24  H1* UNL     1      -1.781  -0.938   2.026  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.608  -0.810  -0.207  1.00  0.00           H  
HETATM   26  H   UNL     1       2.899   0.808   0.269  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.455  -0.767  -2.700  1.00  0.00           H  
HETATM   28  H   UNL     1       1.197   0.449  -3.578  1.00  0.00           H  
HETATM   29 H2*1 UNL     1      -0.692  -2.567   3.217  1.00  0.00           H  
HETATM   30 H2*2 UNL     1       0.887  -1.946   2.644  1.00  0.00           H  
HETATM   31  H3* UNL     1       1.189  -0.624   4.566  1.00  0.00           H  
HETATM   32  H3* UNL     1       0.568  -2.690   5.434  1.00  0.00           H  
CONECT    1    2   20                                                 
CONECT    2    1    3   21   22                                       
CONECT    3    2    4   18   23                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   17   24                                       
CONECT    6    5    7    8                                            
CONECT    7    6   13   13   25                                       
CONECT    8    6    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   26                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13    7    7   11   14                                       
CONECT   14   13   15   15   27                                       
CONECT   15   14   14   16   28                                       
CONECT   16   15                                                      
CONECT   17    5   18   29   30                                       
CONECT   18    3   17   19   31                                       
CONECT   19   18   32                                                 
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    7                                                      
CONECT   26   10                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   17                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
CONECT   32   19                                                      
MASTER        0    0    0    0    0    0    0    0   32    0   32    0
END
