COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.446   0.268  -0.056  1.00  0.00           C  
HETATM    2  C   UNL     1       1.764  -0.947   0.033  1.00  0.00           C  
HETATM    3  C   UNL     1       0.297  -0.989  -0.144  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.564  -0.134  -0.749  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.812  -1.889  -0.278  1.00  0.00           C  
HETATM    6  C   UNL     1       2.473  -2.121   0.289  1.00  0.00           C  
HETATM    7  C   UNL     1       3.815   0.300   0.109  1.00  0.00           C  
HETATM    8  N   UNL     1       4.540   1.587   0.015  1.00  0.00           N1+
HETATM    9  O   UNL     1       3.927   2.616  -0.207  1.00  0.00           O1-
HETATM   10  O   UNL     1       5.749   1.618   0.162  1.00  0.00           O  
HETATM   11  S   UNL     1      -0.727   0.403  -0.472  1.00  0.00           S  
HETATM   12  C   UNL     1      -2.159  -0.619  -0.504  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.217   0.234   0.586  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.622   0.719   0.341  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.391   1.099   1.373  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.058   0.765  -0.785  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.462  -2.101  -0.085  1.00  0.00           C  
HETATM   18  C   UNL     1       3.842  -2.075   0.453  1.00  0.00           C  
HETATM   19  C   UNL     1       4.512  -0.867   0.363  1.00  0.00           C  
HETATM   20  H   UNL     1       1.903   1.179  -0.259  1.00  0.00           H  
HETATM   21  H   UNL     1      -3.539   0.744  -1.395  1.00  0.00           H  
HETATM   22  H   UNL     1      -4.142  -0.923  -1.230  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.534  -2.691  -0.252  1.00  0.00           H  
HETATM   24  H   UNL     1       1.952  -3.064   0.359  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.242  -0.644   1.232  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.639   1.023   1.067  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.047  -3.081   0.102  1.00  0.00           H  
HETATM   28  H   UNL     1       4.392  -2.983   0.651  1.00  0.00           H  
HETATM   29  H   UNL     1       5.584  -0.836   0.492  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.286   1.402   1.167  1.00  0.00           H  
CONECT    1    2    2    7   20                                       
CONECT    2    1    1    3    6                                       
CONECT    3    2   11   17   17                                       
CONECT    4   12   13   21   22                                       
CONECT    5   12   12   17   23                                       
CONECT    6    2   18   18   24                                       
CONECT    7    1    8   19   19                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8                                                      
CONECT   10    8    8                                                 
CONECT   11    3   12                                                 
CONECT   12    4    5    5   11                                       
CONECT   13    4   14   25   26                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   30                                                 
CONECT   16   14   14                                                 
CONECT   17    3    3    5   27                                       
CONECT   18    6    6   19   28                                       
CONECT   19    7    7   18   29                                       
CONECT   20    1                                                      
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27   17                                                      
CONECT   28   18                                                      
CONECT   29   19                                                      
CONECT   30   15                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
