COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.925   1.211   0.003  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.527   1.204   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.040  -0.094   0.001  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.749   2.068  -0.001  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.446   2.283   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.031  -1.620  -0.001  1.00  0.00           C  
HETATM    7  C   UNL     1       1.486   0.016   0.004  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.447  -0.269  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.266   0.855  -0.002  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.971   3.582   0.000  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.306  -2.597   0.001  1.00  0.00           O  
HETATM   12  N   UNL     1      -4.370  -1.775  -0.002  1.00  0.00           N  
HETATM   13  S   UNL     1       0.278  -1.255   0.003  1.00  0.00           S  
HETATM   14 BR   UNL     1       3.352  -0.286  -0.002  1.00  0.00          Br  
HETATM   15  H   UNL     1       1.502   2.124  -0.001  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.339   0.733  -0.003  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.593   4.326   0.000  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.015   3.749   0.001  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.948  -0.996  -0.004  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.755  -2.665  -0.002  1.00  0.00           H  
CONECT    1    2    7    7   15                                       
CONECT    2    5    5    3    1                                       
CONECT    3    8    8    2   13                                       
CONECT    4    9    9    5                                            
CONECT    5    4   10    2    2                                       
CONECT    6   12    8   11   11                                       
CONECT    7    1    1   13   14                                       
CONECT    8    9    6    3    3                                       
CONECT    9    4    4    8   16                                       
CONECT   10    5   17   18                                            
CONECT   11    6    6                                                 
CONECT   12    6   19   20                                            
CONECT   13    3    7                                                 
CONECT   14    7                                                      
CONECT   15    1                                                      
CONECT   16    9                                                      
CONECT   17   10                                                      
CONECT   18   10                                                      
CONECT   19   12                                                      
CONECT   20   12                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
