COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O5* UNL     1       4.351   2.906   0.981  1.00  0.00           O  
HETATM    2  C1* UNL     1       1.792  -0.508   0.434  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.288   0.863   0.077  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.615   0.669  -0.004  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.243  -1.071   0.023  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.844  -0.764   0.175  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.975  -1.595   0.198  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.797  -2.898   0.392  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.587  -3.402   0.560  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.576  -1.346   0.358  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.500  -2.662   0.546  1.00  0.00           N  
HETATM   12 BR   UNL     1      -2.933   1.994  -0.293  1.00  0.00          Br  
HETATM   13  N   UNL     1       0.344  -0.336   0.293  1.00  0.00           N  
HETATM   14  C2* UNL     1       2.431  -0.893  -0.925  1.00  0.00           C  
HETATM   15  O2* UNL     1       2.379  -2.306  -1.131  1.00  0.00           O  
HETATM   16  C3* UNL     1       3.892  -0.415  -0.743  1.00  0.00           C  
HETATM   17  O3* UNL     1       4.732  -1.506  -0.361  1.00  0.00           O  
HETATM   18  O4* UNL     1       2.427   0.746   0.762  1.00  0.00           O  
HETATM   19  C4* UNL     1       3.811   0.626   0.391  1.00  0.00           C  
HETATM   20  C5* UNL     1       4.337   1.975  -0.103  1.00  0.00           C  
HETATM   21  H5* UNL     1       4.674   3.785   0.740  1.00  0.00           H  
HETATM   22  H1* UNL     1       2.016  -1.261   1.190  1.00  0.00           H  
HETATM   23  H   UNL     1       0.207   1.818  -0.019  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.359  -0.118  -0.117  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.016  -1.656   0.042  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.487  -4.467   0.715  1.00  0.00           H  
HETATM   27  H2* UNL     1       1.947  -0.364  -1.746  1.00  0.00           H  
HETATM   28  H2* UNL     1       2.766  -2.596  -1.968  1.00  0.00           H  
HETATM   29  H3* UNL     1       4.260   0.045  -1.661  1.00  0.00           H  
HETATM   30  H3* UNL     1       5.659  -1.263  -0.234  1.00  0.00           H  
HETATM   31  H4* UNL     1       4.396   0.288   1.246  1.00  0.00           H  
HETATM   32 H5*1 UNL     1       3.689   2.350  -0.895  1.00  0.00           H  
HETATM   33 H5*2 UNL     1       5.348   1.851  -0.489  1.00  0.00           H  
CONECT    1   20   21                                                 
CONECT    2   18   13   14   22                                       
CONECT    3    4    4   13   23                                       
CONECT    4   12    3    3    6                                       
CONECT    5    7   24   25                                            
CONECT    6    4    7    7   10                                       
CONECT    7    6    6    5    8                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   11   26                                       
CONECT   10   13    6   11   11                                       
CONECT   11   10   10    9                                            
CONECT   12    4                                                      
CONECT   13    3    2   10                                            
CONECT   14   16    2   15   27                                       
CONECT   15   14   28                                                 
CONECT   16   19   17   14   29                                       
CONECT   17   16   30                                                 
CONECT   18   19    2                                                 
CONECT   19   20   18   16   31                                       
CONECT   20    1   19   32   33                                       
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    9                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   19                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
