COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C1* UNL     1       1.163   0.342   0.280  1.00  0.00           C  
HETATM    2  C2* UNL     1       2.132   1.534   0.117  1.00  0.00           C  
HETATM    3  C3* UNL     1       3.533   0.882   0.130  1.00  0.00           C  
HETATM    4  C4* UNL     1       3.245  -0.626   0.298  1.00  0.00           C  
HETATM    5  C5* UNL     1       4.233  -1.452  -0.528  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.246   0.179  -0.051  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.484   0.393  -0.884  1.00  0.00           C  
HETATM    8  O2* UNL     1       1.901   2.201  -1.125  1.00  0.00           O  
HETATM    9  O3* UNL     1       4.304   1.371   1.229  1.00  0.00           O  
HETATM   10  O4* UNL     1       1.899  -0.804  -0.199  1.00  0.00           O  
HETATM   11  O5* UNL     1       4.024  -2.842  -0.268  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.334  -0.325   1.048  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.041   0.549  -0.529  1.00  0.00           N  
HETATM   14  H1* UNL     1       0.896   0.210   1.329  1.00  0.00           H  
HETATM   15  H2* UNL     1       2.024   2.229   0.950  1.00  0.00           H  
HETATM   16  H3* UNL     1       4.048   1.070  -0.813  1.00  0.00           H  
HETATM   17  H4* UNL     1       3.299  -0.907   1.350  1.00  0.00           H  
HETATM   18 H5*1 UNL     1       4.076  -1.253  -1.588  1.00  0.00           H  
HETATM   19 H5*2 UNL     1       5.252  -1.180  -0.254  1.00  0.00           H  
HETATM   20 BR   UNL     1      -4.057  -0.253   0.104  1.00  0.00          Br  
HETATM   21  H   UNL     1      -2.600   1.455  -1.097  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.392  -0.158  -1.820  1.00  0.00           H  
HETATM   23  H2* UNL     1       1.014   2.577  -1.210  1.00  0.00           H  
HETATM   24  H3* UNL     1       4.514   2.313   1.174  1.00  0.00           H  
HETATM   25  H5* UNL     1       4.617  -3.427  -0.759  1.00  0.00           H  
HETATM   26  H   UNL     1       0.029   0.952  -1.408  1.00  0.00           H  
CONECT    1    2   10   13   14                                       
CONECT    2    3    8    1   15                                       
CONECT    3    9    4    2   16                                       
CONECT    4    5    3   10   17                                       
CONECT    5    4   11   18   19                                       
CONECT    6    7   13   12   12                                       
CONECT    7    6   20   21   22                                       
CONECT    8    2   23                                                 
CONECT    9    3   24                                                 
CONECT   10    4    1                                                 
CONECT   11    5   25                                                 
CONECT   12    6    6                                                 
CONECT   13    1    6   26                                            
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    7                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   11                                                      
CONECT   26   13                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
