COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1      -0.226  -0.688  -0.448  1.00  0.00           B  
HETATM    2  C   UNL     1       1.305  -0.473  -0.124  1.00  0.00           C  
HETATM    3  C   UNL     1       2.171  -1.523   0.127  1.00  0.00           C  
HETATM    4  C   UNL     1       3.496  -1.252   0.407  1.00  0.00           C  
HETATM    5  C   UNL     1       3.954   0.058   0.438  1.00  0.00           C  
HETATM    6  C   UNL     1       3.105   1.113   0.190  1.00  0.00           C  
HETATM    7  C   UNL     1       1.760   0.865  -0.100  1.00  0.00           C  
HETATM    8  C   UNL     1       0.822   1.950  -0.380  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.461   1.796  -0.433  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.085   0.557  -0.218  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.371   0.467   0.177  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.094   1.586   0.377  1.00  0.00           N  
HETATM   13  S   UNL     1      -3.084  -1.069   0.424  1.00  0.00           S  
HETATM   14  O   UNL     1      -0.754  -1.921  -0.915  1.00  0.00           O  
HETATM   15  H   UNL     1       1.815  -2.542   0.104  1.00  0.00           H  
HETATM   16  H   UNL     1       4.180  -2.065   0.603  1.00  0.00           H  
HETATM   17  H   UNL     1       4.993   0.253   0.661  1.00  0.00           H  
HETATM   18  H   UNL     1       3.476   2.127   0.218  1.00  0.00           H  
HETATM   19  H   UNL     1       1.224   2.938  -0.550  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.690   2.457   0.237  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.019   1.521   0.662  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.708  -1.906  -1.071  1.00  0.00           H  
CONECT    1   10    2   14                                            
CONECT    2    7    7    1    3                                       
CONECT    3    2    4    4   15                                       
CONECT    4    5    3    3   16                                       
CONECT    5    6    6    4   17                                       
CONECT    6    7    5    5   18                                       
CONECT    7    8    6    2    2                                       
CONECT    8    9    9    7   19                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11    1                                            
CONECT   11   12   10   13   13                                       
CONECT   12   11   20   21                                            
CONECT   13   11   11                                                 
CONECT   14    1   22                                                 
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    8                                                      
CONECT   20   12                                                      
CONECT   21   12                                                      
CONECT   22   14                                                      
MASTER        0    0    0    0    0    0    0    0   22    0   22    0
END
