COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.274  -0.192   0.024  1.00  0.00           C  
HETATM    2  C   UNL     1       3.770  -0.291   0.013  1.00  0.00           C  
HETATM    3  C   UNL     1       3.006   0.866   0.011  1.00  0.00           C  
HETATM    4  C   UNL     1       1.630   0.792   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       1.006  -0.460  -0.006  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.455  -0.576  -0.016  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.329   0.652  -0.018  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.000  -1.819  -0.022  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.159  -2.953  -0.020  1.00  0.00           C  
HETATM   10  C   UNL     1       1.783  -1.632  -0.004  1.00  0.00           C  
HETATM   11  C   UNL     1       3.168  -1.532   0.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.329  -0.753  -1.177  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.430  -0.617   1.342  1.00  0.00           O  
HETATM   14  O   UNL     1      -4.013   1.457  -0.166  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.660  -4.063  -0.025  1.00  0.00           O  
HETATM   16  O   UNL     1       1.178  -2.839  -0.012  1.00  0.00           O  
HETATM   17  P   UNL     1      -3.082   0.150  -0.030  1.00  0.00           P  
HETATM   18 BR   UNL     1       0.592   2.373   0.000  1.00  0.00          Br  
HETATM   19  H   UNL     1       5.629  -0.171   1.054  1.00  0.00           H  
HETATM   20  H   UNL     1       5.698  -1.055  -0.490  1.00  0.00           H  
HETATM   21  H   UNL     1       5.581   0.721  -0.486  1.00  0.00           H  
HETATM   22  H   UNL     1       3.492   1.831   0.018  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.127   1.244   0.874  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.116   1.247  -0.906  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.073  -1.941  -0.029  1.00  0.00           H  
HETATM   26  H   UNL     1       3.774  -2.426  -0.003  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.291  -0.084   2.136  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.961   1.264  -0.178  1.00  0.00           H  
CONECT    1    2   19   20   21                                       
CONECT    2    1   11   11    3                                       
CONECT    3    2    4    4   22                                       
CONECT    4    3    3    5   18                                       
CONECT    5   10   10    4    6                                       
CONECT    6    8    8    5    7                                       
CONECT    7    6   17   23   24                                       
CONECT    8    9    6    6   25                                       
CONECT    9   15   15   16    8                                       
CONECT   10   11   16    5    5                                       
CONECT   11    2    2   10   26                                       
CONECT   12   17   17                                                 
CONECT   13   17   27                                                 
CONECT   14   17   28                                                 
CONECT   15    9    9                                                 
CONECT   16    9   10                                                 
CONECT   17    7   12   12   14                                       
CONECT   17   13                                                      
CONECT   18    4                                                      
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
