COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.060  -0.189   0.199  1.00  0.00           N  
HETATM    2  C   UNL     1       1.278  -0.077   0.272  1.00  0.00           C  
HETATM    3  N   UNL     1       2.021   0.069  -0.839  1.00  0.00           N  
HETATM    4  C   UNL     1       1.431   0.119  -2.051  1.00  0.00           C  
HETATM    5  C   UNL     1       0.022   0.008  -2.142  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.699  -0.144  -1.010  1.00  0.00           C  
HETATM    7  O   UNL     1       1.824  -0.120   1.357  1.00  0.00           O  
HETATM    8  O   UNL     1       2.103   0.257  -3.057  1.00  0.00           O  
HETATM    9  C1* UNL     1      -0.842  -0.354   1.427  1.00  0.00           C  
HETATM   10  C2* UNL     1      -0.400  -1.631   2.166  1.00  0.00           C  
HETATM   11  C3* UNL     1       0.050  -1.128   3.561  1.00  0.00           C  
HETATM   12  C4* UNL     1      -0.668   0.240   3.658  1.00  0.00           C  
HETATM   13  O3* UNL     1      -0.389  -2.016   4.590  1.00  0.00           O  
HETATM   14  O4* UNL     1      -0.605   0.754   2.310  1.00  0.00           O  
HETATM   15  C5* UNL     1       0.068   1.170   4.624  1.00  0.00           C  
HETATM   16  O5* UNL     1      -0.585   2.440   4.656  1.00  0.00           O  
HETATM   17 BR   UNL     1      -0.837   0.074  -3.825  1.00  0.00          Br  
HETATM   18  H   UNL     1       2.986   0.144  -0.769  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.774  -0.230  -1.060  1.00  0.00           H  
HETATM   20  H1* UNL     1      -1.903  -0.415   1.185  1.00  0.00           H  
HETATM   21 H2*1 UNL     1      -1.236  -2.324   2.265  1.00  0.00           H  
HETATM   22 H2*2 UNL     1       0.430  -2.106   1.644  1.00  0.00           H  
HETATM   23  H3* UNL     1       1.132  -0.999   3.597  1.00  0.00           H  
HETATM   24  H4* UNL     1      -1.704   0.108   3.970  1.00  0.00           H  
HETATM   25  H3* UNL     1       0.025  -2.872   4.417  1.00  0.00           H  
HETATM   26 H5*1 UNL     1       1.097   1.299   4.289  1.00  0.00           H  
HETATM   27 H5*2 UNL     1       0.064   0.733   5.623  1.00  0.00           H  
HETATM   28  H5* UNL     1      -0.089   2.994   5.275  1.00  0.00           H  
CONECT    1    2    6    9                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4   18                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    6   17                                       
CONECT    6    1    5    5   19                                       
CONECT    7    2    2                                                 
CONECT    8    4    4                                                 
CONECT    9    1   10   14   20                                       
CONECT   10    9   11   21   22                                       
CONECT   11   10   12   13   23                                       
CONECT   12   11   14   15   24                                       
CONECT   13   11   25                                                 
CONECT   14    9   12                                                 
CONECT   15   12   16   26   27                                       
CONECT   16   15   28                                                 
CONECT   17    5                                                      
CONECT   18    3                                                      
CONECT   19    6                                                      
CONECT   20    9                                                      
CONECT   21   10                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   15                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
