COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.500   0.288   1.179  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.221   2.533   0.109  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.934   1.725  -0.763  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.487   0.430  -0.977  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.354  -0.009  -0.319  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.701   0.788   0.504  1.00  0.00           N1+
HETATM    7  C   UNL     1      -2.093   2.027   0.728  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.859  -1.414  -0.544  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.593  -2.370   0.400  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.197  -3.714   0.118  1.00  0.00           O  
HETATM   11  C   UNL     1       0.715   0.483   0.269  1.00  0.00           C  
HETATM   12  C   UNL     1       1.945  -0.154   0.919  1.00  0.00           C  
HETATM   13  S   UNL     1       3.386   0.077  -0.159  1.00  0.00           S  
HETATM   14  O   UNL     1       3.120  -0.559  -1.440  1.00  0.00           O  
HETATM   15  O   UNL     1       3.608   1.503  -0.345  1.00  0.00           O1-
HETATM   16  O   UNL     1       4.546  -0.533   0.472  1.00  0.00           O  
HETATM   17  H   UNL     1      -0.350   0.837   2.108  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.623  -0.773   1.399  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.540   3.548   0.299  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.816   2.095  -1.263  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.018  -0.228  -1.649  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.528   2.653   1.402  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.050  -1.706  -1.577  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.789  -1.459  -0.346  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.341  -2.126   1.432  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.668  -2.270   0.254  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.624  -4.376   0.680  1.00  0.00           H  
HETATM   28  H   UNL     1       0.527   0.009  -0.694  1.00  0.00           H  
HETATM   29  H   UNL     1       0.891   1.548   0.123  1.00  0.00           H  
HETATM   30  H   UNL     1       2.133   0.320   1.883  1.00  0.00           H  
HETATM   31  H   UNL     1       1.768  -1.219   1.066  1.00  0.00           H  
CONECT    1   11    6   17   18                                       
CONECT    2    7    3    3   19                                       
CONECT    3    2    2    4   20                                       
CONECT    4    5    5    3   21                                       
CONECT    5    6    8    4    4                                       
CONECT    6    1    7    7    5                                       
CONECT    7    6    6    2   22                                       
CONECT    8    5    9   23   24                                       
CONECT    9    8   10   25   26                                       
CONECT   10    9   27                                                 
CONECT   11   12    1   28   29                                       
CONECT   12   13   11   30   31                                       
CONECT   13   16   16   14   14                                       
CONECT   13   15   12                                                 
CONECT   14   13   13                                                 
CONECT   15   13                                                      
CONECT   16   13   13                                                 
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
