COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.311  -2.648   1.227  1.00  0.00           O  
HETATM    2  S   UNL     1      -0.290  -2.797  -0.052  1.00  0.00           S  
HETATM    3  O   UNL     1       0.386  -2.388  -1.232  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.454  -4.301  -0.216  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.987  -2.156  -0.036  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.956  -0.635   0.126  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.341  -0.046  -1.021  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.237   1.378  -0.961  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.638   1.987  -0.868  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.535   3.407  -0.750  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.351   1.421   0.364  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.686   1.927   0.419  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.387  -0.107   0.263  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.985  -0.650   1.442  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.477   1.752   0.189  1.00  0.00           O  
HETATM   16  C   UNL     1       0.853   1.471   0.169  1.00  0.00           C  
HETATM   17  C   UNL     1       1.650   1.807   1.253  1.00  0.00           C  
HETATM   18  C   UNL     1       3.001   1.519   1.230  1.00  0.00           C  
HETATM   19  C   UNL     1       3.559   0.898   0.128  1.00  0.00           C  
HETATM   20  N   UNL     1       5.006   0.591   0.106  1.00  0.00           N1+
HETATM   21  O   UNL     1       5.706   0.886   1.058  1.00  0.00           O1-
HETATM   22  O   UNL     1       5.498   0.043  -0.864  1.00  0.00           O  
HETATM   23  C   UNL     1       2.766   0.562  -0.954  1.00  0.00           C  
HETATM   24  C   UNL     1       1.413   0.842  -0.933  1.00  0.00           C  
HETATM   25  H   UNL     1       0.382  -4.788  -0.242  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.481  -2.412  -0.974  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.535  -2.599   0.796  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.386  -0.376   1.018  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.969  -0.401  -0.610  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.741   1.744  -1.860  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.205   1.736  -1.765  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.089   3.832  -1.495  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.812   1.715   1.265  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.739   2.891   0.477  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.894  -0.357   1.592  1.00  0.00           H  
HETATM   36  H   UNL     1       1.216   2.293   2.114  1.00  0.00           H  
HETATM   37  H   UNL     1       0.793   0.576  -1.777  1.00  0.00           H  
HETATM   38  H   UNL     1       3.623   1.781   2.074  1.00  0.00           H  
HETATM   39  H   UNL     1       3.203   0.077  -1.814  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   25                                                 
CONECT    5    2    6   26   27                                       
CONECT    6    5    7   13   28                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   15   30                                       
CONECT    9    8   10   11   31                                       
CONECT   10    9   32                                                 
CONECT   11    9   12   13   33                                       
CONECT   12   11   34                                                 
CONECT   13    6   11   14   29                                       
CONECT   14   13   35                                                 
CONECT   15    8   16                                                 
CONECT   16   15   17   24   24                                       
CONECT   17   16   18   18   36                                       
CONECT   18   17   17   19   38                                       
CONECT   19   18   20   23   23                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20                                                      
CONECT   22   20   20                                                 
CONECT   23   19   19   24   39                                       
CONECT   24   16   16   23   37                                       
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29   13                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   24                                                      
CONECT   38   18                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
