COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.776   2.572  -0.544  1.00  0.00           C  
HETATM    2  C   UNL     1       3.672   1.520  -0.543  1.00  0.00           C  
HETATM    3  C   UNL     1       1.503   2.395  -0.033  1.00  0.00           C  
HETATM    4  C   UNL     1       2.020   0.112   0.470  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.526   0.333   0.470  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.432  -0.130  -0.673  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.261   0.976   1.035  1.00  0.00           C  
HETATM    8  C   UNL     1       3.294   0.289  -0.036  1.00  0.00           C  
HETATM    9  C   UNL     1       1.127   1.168   0.478  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.161   0.530  -0.037  1.00  0.00           N  
HETATM   11  O   UNL     1      -5.912  -0.828  -1.263  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.165  -1.484   0.838  1.00  0.00           O  
HETATM   13  O   UNL     1      -5.702   0.872   0.309  1.00  0.00           O  
HETATM   14  S   UNL     1      -5.117  -0.373  -0.047  1.00  0.00           S  
HETATM   15 BR   UNL     1       4.516  -1.154  -0.049  1.00  0.00          Br  
HETATM   16  H   UNL     1       3.071   3.532  -0.939  1.00  0.00           H  
HETATM   17  H   UNL     1       4.668   1.658  -0.939  1.00  0.00           H  
HETATM   18  H   UNL     1       0.803   3.218  -0.033  1.00  0.00           H  
HETATM   19  H   UNL     1       1.724  -0.848   0.865  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.902   1.273   0.874  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.516  -0.423   1.255  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.442   0.626  -1.458  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.055  -1.069  -1.077  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.235   0.225   1.824  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.622   1.920   1.443  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.813  -0.309  -0.475  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.846  -1.000  -1.080  1.00  0.00           H  
CONECT    1    3    2    2   16                                       
CONECT    2    1    1    8   17                                       
CONECT    3    9    9    1   18                                       
CONECT    4    9    8    8   19                                       
CONECT    5    6   10   20   21                                       
CONECT    6   14    5   22   23                                       
CONECT    7   10    9   24   25                                       
CONECT    8    4    4    2   15                                       
CONECT    9    7    3    3    4                                       
CONECT   10    5    7   26                                            
CONECT   11   14   27                                                 
CONECT   12   14   14                                                 
CONECT   13   14   14                                                 
CONECT   14   12   12   13   13                                       
CONECT   14   11    6                                                 
CONECT   15    8                                                      
CONECT   16    1                                                      
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
