COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.361   0.771   0.138  1.00  0.00           O  
HETATM    2  C   UNL     1       3.424  -0.194   0.064  1.00  0.00           C  
HETATM    3  C   UNL     1       1.996   0.168  -0.002  1.00  0.00           C  
HETATM    4  O   UNL     1       3.755  -1.363   0.053  1.00  0.00           O  
HETATM    5  C   UNL     1       1.610   1.511   0.006  1.00  0.00           C  
HETATM    6  C   UNL     1       0.278   1.851  -0.057  1.00  0.00           C  
HETATM    7  C   UNL     1       1.019  -0.831  -0.078  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.315  -0.482  -0.141  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.701   0.862  -0.131  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.036   1.234  -0.202  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.078   0.476   0.132  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.949  -0.938   0.628  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.554  -1.736  -0.233  1.00  0.00           S  
HETATM   14  O   UNL     1      -4.189   0.950   0.031  1.00  0.00           O  
HETATM   15  H   UNL     1       5.284   0.485   0.179  1.00  0.00           H  
HETATM   16  H   UNL     1       2.361   2.286   0.062  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.011   2.892  -0.050  1.00  0.00           H  
HETATM   18  H   UNL     1       1.309  -1.871  -0.088  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.228   2.128  -0.525  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.767  -0.933   1.702  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.868  -1.484   0.416  1.00  0.00           H  
CONECT    1    2   15                                                 
CONECT    2    1    4    4    3                                       
CONECT    3    2    5    5    7                                       
CONECT    4    2    2                                                 
CONECT    5    3    3    6   16                                       
CONECT    6    5    9    9   17                                       
CONECT    7    3    8    8   18                                       
CONECT    8    7    7    9   13                                       
CONECT    9    6    6    8   10                                       
CONECT   10    9   11   19                                            
CONECT   11   10   12   14   14                                       
CONECT   12   11   13   20   21                                       
CONECT   13    8   12                                                 
CONECT   14   11   11                                                 
CONECT   15    1                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19   10                                                      
CONECT   20   12                                                      
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
