COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -0.338   2.805   0.504  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.076   1.410   0.671  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.145   0.599  -0.066  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.426   0.865   0.508  1.00  0.00           O  
HETATM    5  S   UNL     1      -3.214   1.950  -0.212  1.00  0.00           S  
HETATM    6  O   UNL     1      -4.294   2.345   0.678  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.287   3.043  -0.466  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.711   1.359  -1.445  1.00  0.00           O1-
HETATM    9  C   UNL     1      -0.824  -0.893   0.067  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.775  -1.655  -0.679  1.00  0.00           O  
HETATM   11  S   UNL     1      -2.947  -2.163   0.148  1.00  0.00           S  
HETATM   12  O   UNL     1      -3.606  -3.190  -0.644  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.390  -2.698   1.381  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.815  -1.021   0.392  1.00  0.00           O1-
HETATM   15  O   UNL     1       1.211   1.099   0.133  1.00  0.00           O  
HETATM   16  C   UNL     1       1.585  -0.273   0.272  1.00  0.00           C  
HETATM   17  C   UNL     1       2.984  -0.482  -0.309  1.00  0.00           C  
HETATM   18  O   UNL     1       3.936   0.249   0.466  1.00  0.00           O  
HETATM   19  S   UNL     1       5.371   0.113  -0.026  1.00  0.00           S  
HETATM   20  O   UNL     1       6.228   0.596   1.045  1.00  0.00           O  
HETATM   21  O   UNL     1       5.587  -1.298  -0.303  1.00  0.00           O  
HETATM   22  O   UNL     1       5.482   0.929  -1.225  1.00  0.00           O1-
HETATM   23  C   UNL     1       0.583  -1.153  -0.480  1.00  0.00           C  
HETATM   24  O   UNL     1       0.921  -2.528  -0.295  1.00  0.00           O  
HETATM   25  H   UNL     1       0.302   3.381   0.945  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.097   1.161   1.732  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.153   0.878  -1.120  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.868  -1.183   1.117  1.00  0.00           H  
HETATM   29  H   UNL     1       1.586  -0.545   1.328  1.00  0.00           H  
HETATM   30  H   UNL     1       3.234  -1.543  -0.284  1.00  0.00           H  
HETATM   31  H   UNL     1       3.006  -0.128  -1.340  1.00  0.00           H  
HETATM   32  H   UNL     1       0.611  -0.909  -1.543  1.00  0.00           H  
HETATM   33  H   UNL     1       1.801  -2.764  -0.620  1.00  0.00           H  
CONECT    1    2   25                                                 
CONECT    2    1    3   15   26                                       
CONECT    3    2    4    9   27                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6    7                                       
CONECT    5    7    8                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    5                                                      
CONECT    9    3   10   23   28                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11                                                      
CONECT   15    2   16                                                 
CONECT   16   15   17   23   29                                       
CONECT   17   16   18   30   31                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19                                                      
CONECT   23    9   16   24   32                                       
CONECT   24   23   33                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    9                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
CONECT   32   23                                                      
CONECT   33   24                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
