COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.211  -1.626  -0.078  1.00  0.00           N  
HETATM    2  S   UNL     1      -1.331  -1.146  -1.198  1.00  0.00           S  
HETATM    3  O   UNL     1      -0.608  -0.942  -2.405  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.437  -2.024  -1.040  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.912   0.446  -0.714  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.714   1.551  -1.504  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.180   2.757  -1.086  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.927   2.388   0.434  1.00  0.00           S  
HETATM    9  C   UNL     1      -2.599   0.635   0.476  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.956  -0.347   1.501  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.551  -1.490   1.415  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.735   0.017   2.541  1.00  0.00           O  
HETATM   13  C   UNL     1       1.007  -0.958   0.020  1.00  0.00           C  
HETATM   14  C   UNL     1       2.168  -1.667   0.334  1.00  0.00           C  
HETATM   15  C   UNL     1       3.377  -1.007   0.425  1.00  0.00           C  
HETATM   16  C   UNL     1       3.433   0.375   0.213  1.00  0.00           C  
HETATM   17  C   UNL     1       2.266   1.081  -0.095  1.00  0.00           C  
HETATM   18  C   UNL     1       1.064   0.416  -0.191  1.00  0.00           C  
HETATM   19  O   UNL     1       2.110  -3.010   0.539  1.00  0.00           O  
HETATM   20  C   UNL     1       4.721   1.085   0.315  1.00  0.00           C  
HETATM   21  O   UNL     1       4.774   2.416   0.110  1.00  0.00           O  
HETATM   22  O   UNL     1       5.734   0.471   0.583  1.00  0.00           O  
HETATM   23  H   UNL     1      -0.403  -2.372   0.511  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.189   1.464  -2.444  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.104   3.714  -1.581  1.00  0.00           H  
HETATM   26  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   27  H   UNL     1       4.276  -1.555   0.664  1.00  0.00           H  
HETATM   28  H   UNL     1       2.308   2.147  -0.259  1.00  0.00           H  
HETATM   29  H   UNL     1       0.164   0.962  -0.430  1.00  0.00           H  
HETATM   30  H   UNL     1       1.951  -3.142   1.484  1.00  0.00           H  
HETATM   31  H   UNL     1       5.618   2.882   0.177  1.00  0.00           H  
CONECT    1    2   13   23                                            
CONECT    2    1    3    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6    9    9                                       
CONECT    6    5    7    7   24                                       
CONECT    7    6    6    8   25                                       
CONECT    8    7    9                                                 
CONECT    9    5    5    8   10                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   26                                                 
CONECT   12   10   10                                                 
CONECT   13    1   14   14   18                                       
CONECT   14   13   13   15   19                                       
CONECT   15   14   16   16   27                                       
CONECT   16   15   15   17   20                                       
CONECT   17   16   18   18   28                                       
CONECT   18   13   17   17   29                                       
CONECT   19   14   30                                                 
CONECT   20   16   21   22   22                                       
CONECT   21   20   31                                                 
CONECT   22   20   20                                                 
CONECT   23    1                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26   11                                                      
CONECT   27   15                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30   19                                                      
CONECT   31   21                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
