COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.554  -1.045   0.077  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.259   0.280  -0.141  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.488   0.920  -0.369  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.560   2.895   0.384  1.00  0.00           C  
HETATM    5  C   UNL     1       1.204   0.524   0.984  1.00  0.00           C  
HETATM    6  C   UNL     1       2.082   0.957  -0.192  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.196   1.045   0.369  1.00  0.00           C  
HETATM    8  C   UNL     1       3.480   1.311   0.320  1.00  0.00           C  
HETATM    9  C   UNL     1       4.359   1.744  -0.855  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.135   0.184   0.493  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.391   2.337   0.614  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.800  -0.986  -0.298  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.588   2.217  -0.094  1.00  0.00           N  
HETATM   14  N   UNL     1      -4.570   0.218  -0.871  1.00  0.00           N  
HETATM   15  O   UNL     1       5.664   2.075  -0.377  1.00  0.00           O  
HETATM   16 BR   UNL     1       0.518  -2.602   0.042  1.00  0.00          Br  
HETATM   17  H   UNL     1      -2.685   3.947   0.595  1.00  0.00           H  
HETATM   18  H   UNL     1       1.646  -0.348   1.466  1.00  0.00           H  
HETATM   19  H   UNL     1       1.131   1.340   1.703  1.00  0.00           H  
HETATM   20  H   UNL     1       2.155   0.141  -0.911  1.00  0.00           H  
HETATM   21  H   UNL     1       1.640   1.828  -0.675  1.00  0.00           H  
HETATM   22  H   UNL     1       3.408   2.127   1.039  1.00  0.00           H  
HETATM   23  H   UNL     1       3.922   0.440   0.803  1.00  0.00           H  
HETATM   24  H   UNL     1       4.431   0.928  -1.574  1.00  0.00           H  
HETATM   25  H   UNL     1       3.917   2.615  -1.338  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.414   0.671  -1.025  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.485  -0.728  -1.068  1.00  0.00           H  
HETATM   28  H   UNL     1       6.277   2.358  -1.070  1.00  0.00           H  
CONECT    1   12   12   16   10                                       
CONECT    2    3   12    7    7                                       
CONECT    3   14   13   13    2                                       
CONECT    4   13   11   11   17                                       
CONECT    5    6   10   18   19                                       
CONECT    6    8    5   20   21                                       
CONECT    7    2    2   11   10                                       
CONECT    8    9    6   22   23                                       
CONECT    9   15    8   24   25                                       
CONECT   10    1    7    5                                            
CONECT   11    4    4    7                                            
CONECT   12    2    1    1                                            
CONECT   13    3    3    4                                            
CONECT   14    3   26   27                                            
CONECT   15    9   28                                                 
CONECT   16    1                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26   14                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
