COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.674  -1.167   0.201  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.066  -3.414  -0.184  1.00  0.00           C  
HETATM    3  O   UNL     1       0.899  -2.403  -0.480  1.00  0.00           O  
HETATM    4  C   UNL     1       1.829  -0.205  -0.091  1.00  0.00           C  
HETATM    5  O   UNL     1       3.047  -0.755   0.414  1.00  0.00           O  
HETATM    6  C   UNL     1       1.551   1.137   0.594  1.00  0.00           C  
HETATM    7  O   UNL     1       2.587   2.064   0.266  1.00  0.00           O  
HETATM    8  C   UNL     1       0.205   1.678   0.103  1.00  0.00           C  
HETATM    9  O   UNL     1       0.273   1.926  -1.303  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.887   0.644   0.387  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.552  -0.589  -0.252  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.225   1.152  -0.154  1.00  0.00           C  
HETATM   13  S   UNL     1      -3.544  -0.003   0.312  1.00  0.00           S  
HETATM   14  H   UNL     1       0.615  -1.349   1.275  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.051  -3.629   0.885  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.058  -3.065  -0.470  1.00  0.00           H  
HETATM   17  H   UNL     1       0.175  -4.320  -0.739  1.00  0.00           H  
HETATM   18  H   UNL     1       1.915  -0.055  -1.167  1.00  0.00           H  
HETATM   19  H   UNL     1       3.283  -1.609   0.027  1.00  0.00           H  
HETATM   20  H   UNL     1       1.516   0.995   1.674  1.00  0.00           H  
HETATM   21  H   UNL     1       3.470   1.781   0.542  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.027   2.607   0.625  1.00  0.00           H  
HETATM   23  H   UNL     1       0.949   2.569  -1.556  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.967   0.486   1.463  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.438   2.135   0.266  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.173   1.225  -1.240  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.642   0.561  -0.221  1.00  0.00           H  
CONECT    1    3    4   11   14                                       
CONECT    2    3   15   16   17                                       
CONECT    3    1    2                                                 
CONECT    4    1    5    6   18                                       
CONECT    5    4   19                                                 
CONECT    6    4    7    8   20                                       
CONECT    7    6   21                                                 
CONECT    8    6    9   10   22                                       
CONECT    9    8   23                                                 
CONECT   10    8   11   12   24                                       
CONECT   11    1   10                                                 
CONECT   12   10   13   25   26                                       
CONECT   13   12   27                                                 
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    2                                                      
CONECT   17    2                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
