COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.004   1.645  -0.108  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.169   2.147   0.606  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.980   0.160  -0.367  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.803  -0.469   0.382  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.851  -1.967   0.225  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.764  -2.680   1.196  1.00  0.00           O  
HETATM    7  O   UNL     1      -1.989  -2.509  -0.995  1.00  0.00           O  
HETATM    8  S   UNL     1      -0.245   0.162  -0.300  1.00  0.00           S  
HETATM    9  C   UNL     1       1.004  -0.564   0.796  1.00  0.00           C  
HETATM   10  C   UNL     1       2.376  -0.127   0.353  1.00  0.00           C  
HETATM   11  C   UNL     1       2.933   1.029   0.867  1.00  0.00           C  
HETATM   12  C   UNL     1       4.191   1.431   0.460  1.00  0.00           C  
HETATM   13  C   UNL     1       4.894   0.676  -0.461  1.00  0.00           C  
HETATM   14  C   UNL     1       4.338  -0.481  -0.974  1.00  0.00           C  
HETATM   15  C   UNL     1       3.081  -0.885  -0.563  1.00  0.00           C  
HETATM   16  H   UNL     1      -3.912  -0.284  -0.018  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.869  -0.021  -1.436  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.867  -0.213   1.440  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.015  -3.474  -1.046  1.00  0.00           H  
HETATM   20  H   UNL     1       0.829  -0.230   1.819  1.00  0.00           H  
HETATM   21  H   UNL     1       0.937  -1.651   0.753  1.00  0.00           H  
HETATM   22  H   UNL     1       2.384   1.620   1.586  1.00  0.00           H  
HETATM   23  H   UNL     1       4.626   2.335   0.861  1.00  0.00           H  
HETATM   24  H   UNL     1       5.875   0.992  -0.782  1.00  0.00           H  
HETATM   25  H   UNL     1       4.886  -1.071  -1.693  1.00  0.00           H  
HETATM   26  H   UNL     1       2.647  -1.789  -0.964  1.00  0.00           H  
HETATM   27  O   UNL     1      -3.956   2.408  -0.667  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.933   3.354  -0.469  1.00  0.00           H  
CONECT    1    3    2    2   27                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   16   17                                       
CONECT    4    5    8    3   18                                       
CONECT    5    6    6    7    4                                       
CONECT    6    5    5                                                 
CONECT    7    5   19                                                 
CONECT    8    9    4                                                 
CONECT    9   10    8   20   21                                       
CONECT   10   15   15   11    9                                       
CONECT   11   12   12   10   22                                       
CONECT   12   13   11   11   23                                       
CONECT   13   14   14   12   24                                       
CONECT   14   13   13   15   25                                       
CONECT   15   14   10   10   26                                       
CONECT   16    3                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    7                                                      
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27    1   28                                                 
CONECT   28   27                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
