COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O5* UNL     1       0.705  -2.572   6.324  1.00  0.00           O  
HETATM    2  C5* UNL     1       0.456  -1.166   6.374  1.00  0.00           C  
HETATM    3  C4* UNL     1       1.158  -0.481   5.200  1.00  0.00           C  
HETATM    4  O4* UNL     1       0.611  -0.938   3.944  1.00  0.00           O  
HETATM    5  C1* UNL     1       0.923   0.063   2.961  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.158   0.149   1.977  1.00  0.00           N  
HETATM    7  C   UNL     1       0.120  -0.066   0.656  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.403   0.433   2.391  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.604   0.618   3.576  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.433   0.529   1.532  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.239   0.329   0.211  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.168   0.410  -0.571  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.885   0.012  -0.263  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.618  -0.215  -1.699  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.144  -1.164  -2.534  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.744  -1.180  -3.854  1.00  0.00           C  
HETATM   17  C   UNL     1       0.162  -0.264  -4.281  1.00  0.00           C  
HETATM   18  S   UNL     1       0.477   0.671  -2.794  1.00  0.00           S  
HETATM   19 BR   UNL     1       0.902  -0.039  -6.006  1.00  0.00          Br  
HETATM   20  C2* UNL     1       1.066   1.405   3.705  1.00  0.00           C  
HETATM   21  C3* UNL     1       0.860   1.039   5.197  1.00  0.00           C  
HETATM   22  O3* UNL     1       1.781   1.747   6.028  1.00  0.00           O  
HETATM   23  H5* UNL     1       0.246  -2.964   7.079  1.00  0.00           H  
HETATM   24 H5*1 UNL     1      -0.616  -0.985   6.311  1.00  0.00           H  
HETATM   25 H5*2 UNL     1       0.838  -0.762   7.311  1.00  0.00           H  
HETATM   26  H4* UNL     1       2.232  -0.661   5.238  1.00  0.00           H  
HETATM   27  H1* UNL     1       1.859  -0.185   2.462  1.00  0.00           H  
HETATM   28  H   UNL     1       1.127  -0.297   0.342  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.320   0.740   1.863  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.864  -1.881  -2.168  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.144  -1.914  -4.538  1.00  0.00           H  
HETATM   32 H2*1 UNL     1       2.062   1.822   3.552  1.00  0.00           H  
HETATM   33 H2*2 UNL     1       0.302   2.109   3.374  1.00  0.00           H  
HETATM   34  H3* UNL     1      -0.167   1.232   5.506  1.00  0.00           H  
HETATM   35  H3* UNL     1       1.599   2.689   5.909  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2    1    3   24   25                                       
CONECT    3    2    4   21   26                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   20   27                                       
CONECT    6    5    7    8                                            
CONECT    7    6   13   13   28                                       
CONECT    8    6    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   29                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13    7    7   11   14                                       
CONECT   14   13   15   15   18                                       
CONECT   15   14   14   16   30                                       
CONECT   16   15   17   17   31                                       
CONECT   17   16   16   18   19                                       
CONECT   18   14   17                                                 
CONECT   19   17                                                      
CONECT   20    5   21   32   33                                       
CONECT   21    3   20   22   34                                       
CONECT   22   21   35                                                 
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29   10                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
CONECT   34   21                                                      
CONECT   35   22                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
