COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       1.023   1.404  -3.095  1.00  0.00           C  
HETATM    2  C   UNL     1       1.436   0.316  -2.138  1.00  0.00           C  
HETATM    3  C   UNL     1       0.900  -1.476  -0.578  1.00  0.00           C  
HETATM    4  C   UNL     1       1.025  -0.895   0.831  1.00  0.00           C  
HETATM    5  O   UNL     1       2.612   0.102  -1.934  1.00  0.00           O  
HETATM    6  N   UNL     1       0.499  -0.418  -1.508  1.00  0.00           N  
HETATM    7  O   UNL     1      -0.234  -0.356   1.238  1.00  0.00           O  
HETATM    8  P   UNL     1      -0.030   0.234   2.721  1.00  0.00           P  
HETATM    9  O   UNL     1       1.007   1.288   2.694  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.418   0.861   3.244  1.00  0.00           O  
HETATM   11  O   UNL     1       0.431  -0.948   3.711  1.00  0.00           O  
HETATM   12 BR   UNL     1      -1.295  -0.092  -1.819  1.00  0.00          Br  
HETATM   13  H   UNL     1       1.912   1.885  -3.504  1.00  0.00           H  
HETATM   14  H   UNL     1       0.439   0.971  -3.907  1.00  0.00           H  
HETATM   15  H   UNL     1       0.420   2.143  -2.567  1.00  0.00           H  
HETATM   16  H   UNL     1       0.149  -2.266  -0.580  1.00  0.00           H  
HETATM   17  H   UNL     1       1.861  -1.887  -0.888  1.00  0.00           H  
HETATM   18  H   UNL     1       1.324  -1.682   1.524  1.00  0.00           H  
HETATM   19  H   UNL     1       1.776  -0.105   0.833  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.253   1.202   4.134  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.271  -1.612   3.700  1.00  0.00           H  
CONECT    1    2   13   14   15                                       
CONECT    2    1    5    5    6                                       
CONECT    3    4    6   16   17                                       
CONECT    4    3    7   18   19                                       
CONECT    5    2    2                                                 
CONECT    6    2    3   12                                            
CONECT    7    4    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    8   11                                                      
CONECT    9    8    8                                                 
CONECT   10    8   20                                                 
CONECT   11    8   21                                                 
CONECT   12    6                                                      
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    3                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    4                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
