COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.050   0.852  -0.736  1.00  0.00           O  
HETATM    2  O   UNL     1       4.299  -1.547  -0.711  1.00  0.00           O  
HETATM    3  S   UNL     1       3.701  -0.390  -0.064  1.00  0.00           S  
HETATM    4  O   UNL     1       4.000  -0.344   1.358  1.00  0.00           O1-
HETATM    5  C   UNL     1      -1.830  -0.866   0.985  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.811   0.291   0.803  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.305   1.382  -0.125  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.826   1.677   0.099  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.040   0.372  -0.072  1.00  0.00           C  
HETATM   10  C   UNL     1       1.457   0.646   0.084  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.527  -1.520  -0.319  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.414  -2.489  -1.059  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.948  -0.391   0.137  1.00  0.00           N1+
HETATM   14  O   UNL     1      -2.222  -1.758  -0.074  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.057   2.575   0.106  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.377   2.638  -0.859  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.469  -0.539   0.933  1.00  0.00           O  
HETATM   18  O   UNL     1       2.192  -0.548  -0.191  1.00  0.00           O  
HETATM   19  H   UNL     1      -2.040  -1.346   1.941  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.112   0.700   1.767  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.451   1.066  -1.158  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.678   2.064   1.107  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.235  -0.048  -1.059  1.00  0.00           H  
HETATM   24  H   UNL     1       1.759   1.427  -0.614  1.00  0.00           H  
HETATM   25  H   UNL     1       1.662   0.972   1.104  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.834  -3.367  -1.344  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.239  -2.791  -0.415  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.809  -2.009  -1.954  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.852  -0.047   0.059  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.817   3.310  -0.475  1.00  0.00           H  
HETATM   31  H   UNL     1       0.557   2.871  -0.774  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2    3    3                                                 
CONECT    3    2    2   18    1                                       
CONECT    3    1    4                                                 
CONECT    4    3                                                      
CONECT    5    6   17   14   19                                       
CONECT    6    7   13    5   20                                       
CONECT    7   15    8    6   21                                       
CONECT    8   16    7    9   22                                       
CONECT    9    8   10   17   23                                       
CONECT   10    9   18   24   25                                       
CONECT   11   13   13   12   14                                       
CONECT   12   11   26   27   28                                       
CONECT   13    6   11   11   29                                       
CONECT   14   11    5                                                 
CONECT   15    7   30                                                 
CONECT   16    8   31                                                 
CONECT   17    9    5                                                 
CONECT   18   10    3                                                 
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
