COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.594  -0.878   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.015   0.407   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       0.131   1.217   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       1.207   0.375   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       2.616   0.778   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       4.959   0.312   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       5.910  -0.886   0.001  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.469  -2.072   0.001  1.00  0.00           N1+
HETATM    9  O   UNL     1       0.746  -0.893  -0.005  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.978  -3.187  -0.004  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.680  -1.939   0.007  1.00  0.00           O1-
HETATM   12  O   UNL     1       2.911   1.958   0.001  1.00  0.00           O  
HETATM   13  O   UNL     1       3.586  -0.160   0.001  1.00  0.00           O  
HETATM   14 BR   UNL     1      -2.810   1.001  -0.001  1.00  0.00          Br  
HETATM   15  H   UNL     1       0.158   2.297  -0.001  1.00  0.00           H  
HETATM   16  H   UNL     1       5.135   0.916   0.891  1.00  0.00           H  
HETATM   17  H   UNL     1       5.135   0.917  -0.889  1.00  0.00           H  
HETATM   18  H   UNL     1       5.733  -1.490   0.891  1.00  0.00           H  
HETATM   19  H   UNL     1       5.734  -1.490  -0.889  1.00  0.00           H  
HETATM   20  H   UNL     1       6.941  -0.532   0.001  1.00  0.00           H  
CONECT    1    2    2    8    9                                       
CONECT    2   14    3    1    1                                       
CONECT    3    2    4    4   15                                       
CONECT    4    3    3    5    9                                       
CONECT    5   13    4   12   12                                       
CONECT    6    7   13   16   17                                       
CONECT    7    6   18   19   20                                       
CONECT    8   11    1   10   10                                       
CONECT    9    1    4                                                 
CONECT   10    8    8                                                 
CONECT   11    8                                                      
CONECT   12    5    5                                                 
CONECT   13    6    5                                                 
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    7                                                      
CONECT   20    7                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
