D0ET3L
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1      -2.108   0.665   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.283   0.665   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.871   1.380   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.283   2.094   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.108   2.094   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.521   1.380   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.045   1.380   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       0.440   0.712   0.000  1.00  0.00           C  
HETATM    9  C   UNL     1       1.224   0.967   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       1.224   1.792   0.000  1.00  0.00           C  
HETATM   11  N   UNL     1       0.440   2.047   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       0.184  -0.072   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       1.891   2.277   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1       2.645   1.941   0.000  1.00  0.00           C  
HETATM   15  C   UNL     1       2.731   1.121   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       3.485   0.785   0.000  1.00  0.00           C  
HETATM   17  C   UNL     1       4.152   1.270   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1       4.066   2.091   0.000  1.00  0.00           C  
HETATM   19  C   UNL     1       3.313   2.426   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.623  -0.244   0.000  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.877  -1.029   0.000  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.325  -1.642   0.000  1.00  0.00           C  
HETATM   23  C   UNL     1       0.482  -1.470   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       0.737  -0.686   0.000  1.00  0.00           C  
HETATM   25 BR   UNL     1      -0.580  -2.426   0.000  1.00  0.00          Br  
HETATM   26  S   UNL     1      -3.345   1.381   0.000  1.00  0.00           S  
HETATM   27  O   UNL     1      -3.345   0.556   0.000  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.170   1.381   0.000  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.345   2.206   0.000  1.00  0.00           N  
HETATM   30  N   UNL     1       4.170   0.899   0.000  1.00  0.00           N  
HETATM   31  O   UNL     1       3.456   2.136   0.000  1.00  0.00           O  
HETATM   32  C   UNL     1       3.456   1.311   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1       2.741   0.899   0.000  1.00  0.00           C  
CONECT    1    2    6                                                 
CONECT    2    1    3                                                 
CONECT    3    2    4    7                                            
CONECT    4    3    5                                                 
CONECT    5    4    6                                                 
CONECT    6    5    1   26                                            
CONECT    7    3    8   11                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   13                                            
CONECT   11   10    7                                                 
CONECT   12    8   20   24                                            
CONECT   13   10   14                                                 
CONECT   14   13   15   19                                            
CONECT   15   14   16                                                 
CONECT   16   15   17                                                 
CONECT   17   16   18   30                                            
CONECT   18   17   19                                                 
CONECT   19   18   14                                                 
CONECT   20   12   21                                                 
CONECT   21   20   22                                                 
CONECT   22   21   23   25                                            
CONECT   23   22   24                                                 
CONECT   24   23   12                                                 
CONECT   25   22                                                      
CONECT   26    6   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   17   32                                                 
CONECT   31   32                                                      
CONECT   32   30   31   33                                            
CONECT   33   32                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
M  END

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