COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.070  -1.706   1.210  1.00  0.00           O  
HETATM    2  P   UNL     1       5.184  -1.253  -0.194  1.00  0.00           P  
HETATM    3  O   UNL     1       6.491  -0.327  -0.355  1.00  0.00           O  
HETATM    4  O   UNL     1       5.310  -2.533  -1.162  1.00  0.00           O  
HETATM    5  O   UNL     1       3.874  -0.406  -0.592  1.00  0.00           O  
HETATM    6  C   UNL     1       3.427   0.731   0.148  1.00  0.00           C  
HETATM    7  C   UNL     1       2.161   1.296  -0.498  1.00  0.00           C  
HETATM    8  O   UNL     1       1.052   0.390  -0.308  1.00  0.00           O  
HETATM    9  C   UNL     1       1.731   2.600   0.211  1.00  0.00           C  
HETATM   10  O   UNL     1       2.179   3.740  -0.524  1.00  0.00           O  
HETATM   11  C   UNL     1       0.187   2.532   0.217  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.133   1.196  -0.489  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.288   0.551   0.140  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.227   0.188   1.434  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.211   0.399   2.068  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.273  -0.406   2.037  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.407  -0.647   1.348  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.355  -1.184   1.893  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.486  -0.271  -0.015  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.423   0.328  -0.594  1.00  0.00           C  
HETATM   21 BR   UNL     1      -5.061  -0.595  -1.009  1.00  0.00          Br  
HETATM   22  H   UNL     1       6.628   0.006  -1.252  1.00  0.00           H  
HETATM   23  H   UNL     1       6.079  -3.090  -0.979  1.00  0.00           H  
HETATM   24  H   UNL     1       3.210   0.434   1.174  1.00  0.00           H  
HETATM   25  H   UNL     1       4.207   1.493   0.148  1.00  0.00           H  
HETATM   26  H   UNL     1       2.327   1.478  -1.560  1.00  0.00           H  
HETATM   27  H   UNL     1       2.118   2.626   1.229  1.00  0.00           H  
HETATM   28  H   UNL     1       1.936   4.587  -0.124  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.191   2.524   1.239  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.234   3.370  -0.339  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.320   1.362  -1.550  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.211  -0.661   2.970  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.466   0.626  -1.631  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    5    3                                       
CONECT    2    4                                                      
CONECT    3    2   22                                                 
CONECT    4    2   23                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   24   25                                       
CONECT    7    6    8    9   26                                       
CONECT    8    7   12                                                 
CONECT    9    7   11   10   27                                       
CONECT   10    9   28                                                 
CONECT   11    9   12   29   30                                       
CONECT   12    8   11   13   31                                       
CONECT   13   12   14   20                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   32                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   20   21                                       
CONECT   20   13   19   19   33                                       
CONECT   21   19                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   16                                                      
CONECT   33   20                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
