COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.007   0.705   0.907  1.00  0.00           C  
HETATM    2  C   UNL     1       0.590  -0.224  -0.153  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.322  -1.443  -0.324  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.729  -0.966  -0.695  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.237  -0.008   0.386  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.597   0.512  -0.002  1.00  0.00           C  
HETATM    7  O   UNL     1       1.888  -0.653   0.264  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.374  -2.177   0.901  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.327   1.087   0.515  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.639  -0.331  -0.084  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.750   1.686  -0.240  1.00  0.00           O  
HETATM   12  S   UNL     1       3.027   0.187  -0.295  1.00  0.00           S  
HETATM   13  O   UNL     1       2.670   0.508  -1.632  1.00  0.00           O  
HETATM   14  O   UNL     1       3.037   1.501   0.474  1.00  0.00           O  
HETATM   15  O   UNL     1       4.229  -0.488   0.049  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.061   0.024   2.162  1.00  0.00           O  
HETATM   17  H   UNL     1       0.615   1.595   1.002  1.00  0.00           H  
HETATM   18  H   UNL     1       0.669   0.308  -1.101  1.00  0.00           H  
HETATM   19  H   UNL     1       0.068  -2.082  -1.117  1.00  0.00           H  
HETATM   20  O   UNL     1      -1.688  -0.289  -1.953  1.00  0.00           O  
HETATM   21  H   UNL     1      -2.398  -1.824  -0.765  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.307  -0.537   1.336  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.934  -2.964   0.865  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.492   0.049  -0.336  1.00  0.00           H  
HETATM   25  H   UNL     1       3.730   2.114   0.195  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.430   0.555   2.882  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.546   0.041  -2.250  1.00  0.00           H  
CONECT    1    9   16   17    2                                       
CONECT    2    1    7   18    3                                       
CONECT    3    2    4   19    8                                       
CONECT    4    3    5   20   21                                       
CONECT    5    4    6    9   22                                       
CONECT    6    5   10   11   11                                       
CONECT    7    2   12                                                 
CONECT    8    3   23                                                 
CONECT    9    1    5                                                 
CONECT   10    6   24                                                 
CONECT   11    6    6                                                 
CONECT   12    7   13   13   14                                       
CONECT   12   15   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   25                                                 
CONECT   15   12   12                                                 
CONECT   16    1   26                                                 
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    4   27                                                 
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    8                                                      
CONECT   24   10                                                      
CONECT   25   14                                                      
CONECT   26   16                                                      
CONECT   27   20                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
