COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.166  -0.333  -0.079  1.00  0.00           C  
HETATM    2  C   UNL     1       1.126  -1.173   0.081  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.169  -0.667   0.662  1.00  0.00           C  
HETATM    4  O   UNL     1       3.061   1.922   0.128  1.00  0.00           O  
HETATM    5  C   UNL     1       1.994   1.098   0.167  1.00  0.00           C  
HETATM    6  O   UNL     1       0.888   1.545   0.407  1.00  0.00           O  
HETATM    7  O   UNL     1       3.380  -0.817  -0.465  1.00  0.00           O  
HETATM    8  O   UNL     1       1.244  -2.469  -0.280  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.064  -0.146  -0.463  1.00  0.00           C  
HETATM   10  S   UNL     1      -2.623   0.462   0.236  1.00  0.00           S1+
HETATM   11  C   UNL     1      -3.534   1.028  -1.227  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.490  -1.065   0.692  1.00  0.00           C  
HETATM   13  H   UNL     1      -0.675  -1.480   1.183  1.00  0.00           H  
HETATM   14  H   UNL     1       0.039   0.140   1.365  1.00  0.00           H  
HETATM   15  H   UNL     1       2.849   2.849   0.303  1.00  0.00           H  
HETATM   16  H   UNL     1       4.064  -0.139  -0.553  1.00  0.00           H  
HETATM   17  H   UNL     1       0.446  -2.994  -0.128  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.558   0.667  -0.984  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.272  -0.954  -1.166  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.680   0.191  -1.910  1.00  0.00           H  
HETATM   21  H   UNL     1      -4.504   1.421  -0.921  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.966   1.811  -1.728  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.894  -1.619   1.416  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.457  -0.817   1.130  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.641  -1.676  -0.198  1.00  0.00           H  
CONECT    1    5    7    2    2                                       
CONECT    2    1    1    3    8                                       
CONECT    3    2    9   13   14                                       
CONECT    4    5   15                                                 
CONECT    5    6    6    4    1                                       
CONECT    6    5    5                                                 
CONECT    7    1   16                                                 
CONECT    8    2   17                                                 
CONECT    9    3   10   18   19                                       
CONECT   10    9   12   11                                            
CONECT   11   10   20   21   22                                       
CONECT   12   10   23   24   25                                       
CONECT   13    3                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    7                                                      
CONECT   17    8                                                      
CONECT   18    9                                                      
CONECT   19    9                                                      
CONECT   20   11                                                      
CONECT   21   11                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   12                                                      
CONECT   25   12                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END
