COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C2* UNL     1      -2.292   1.617   0.085  1.00  0.00           C  
HETATM    2  C3* UNL     1      -3.362   0.667  -0.498  1.00  0.00           C  
HETATM    3  C4* UNL     1      -2.794  -0.745  -0.233  1.00  0.00           C  
HETATM    4  C5* UNL     1      -3.922  -1.712   0.133  1.00  0.00           C  
HETATM    5  C   UNL     1       2.210   0.064  -0.989  1.00  0.00           C  
HETATM    6  C   UNL     1       1.123   0.264   0.035  1.00  0.00           C  
HETATM    7  O   UNL     1       1.391   0.237   1.218  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.148   0.473  -0.363  1.00  0.00           N  
HETATM    9  C1* UNL     1      -1.205   0.667   0.633  1.00  0.00           C  
HETATM   10  O4* UNL     1      -1.894  -0.577   0.884  1.00  0.00           O  
HETATM   11  O5* UNL     1      -3.393  -3.034   0.260  1.00  0.00           O  
HETATM   12  O3* UNL     1      -3.518   0.889  -1.901  1.00  0.00           O  
HETATM   13  O2* UNL     1      -2.846   2.409   1.137  1.00  0.00           O  
HETATM   14  H2* UNL     1      -1.882   2.256  -0.697  1.00  0.00           H  
HETATM   15  H3* UNL     1      -4.313   0.800   0.018  1.00  0.00           H  
HETATM   16  H4* UNL     1      -2.253  -1.107  -1.107  1.00  0.00           H  
HETATM   17 H5*1 UNL     1      -4.369  -1.408   1.079  1.00  0.00           H  
HETATM   18 H5*2 UNL     1      -4.681  -1.698  -0.649  1.00  0.00           H  
HETATM   19 BR   UNL     1       3.929  -0.212  -0.075  1.00  0.00          Br  
HETATM   20  H   UNL     1       1.978  -0.809  -1.599  1.00  0.00           H  
HETATM   21  H   UNL     1       2.275   0.946  -1.627  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.363   0.494  -1.308  1.00  0.00           H  
HETATM   23  H1* UNL     1      -0.785   1.062   1.559  1.00  0.00           H  
HETATM   24  H5* UNL     1      -4.054  -3.701   0.491  1.00  0.00           H  
HETATM   25  H3* UNL     1      -3.815   1.781  -2.128  1.00  0.00           H  
HETATM   26  H2* UNL     1      -2.217   3.024   1.539  1.00  0.00           H  
CONECT    1    9   13    2   14                                       
CONECT    2    1    3   12   15                                       
CONECT    3   10    2    4   16                                       
CONECT    4   11    3   17   18                                       
CONECT    5    6   19   20   21                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   22                                            
CONECT    9    8   10    1   23                                       
CONECT   10    9    3                                                 
CONECT   11    4   24                                                 
CONECT   12    2   25                                                 
CONECT   13    1   26                                                 
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   13                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
