COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.093  -1.092  -0.389  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.175   1.532  -0.660  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.812  -0.355   0.601  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.234  -0.911   0.503  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.139  -0.174   1.492  1.00  0.00           C  
HETATM    6  C   UNL     1       1.516  -0.631  -0.207  1.00  0.00           C  
HETATM    7  C   UNL     1       2.346  -1.286   0.684  1.00  0.00           C  
HETATM    8  C   UNL     1       3.651  -0.863   0.851  1.00  0.00           C  
HETATM    9  C   UNL     1       4.127   0.214   0.127  1.00  0.00           C  
HETATM   10  C   UNL     1       1.993   0.443  -0.935  1.00  0.00           C  
HETATM   11  C   UNL     1       3.297   0.868  -0.765  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.824   1.116   0.271  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.556   1.964   1.011  1.00  0.00           O  
HETATM   14  S   UNL     1      -2.861  -0.674  -1.183  1.00  0.00           S  
HETATM   15  H   UNL     1       0.032  -2.165  -0.206  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.231  -0.877  -1.407  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.435  -0.497   1.613  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.226  -1.974   0.741  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.148   0.890   1.253  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.152  -0.570   1.422  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.763  -0.316   2.505  1.00  0.00           H  
HETATM   22  H   UNL     1       1.974  -2.127   1.250  1.00  0.00           H  
HETATM   23  H   UNL     1       4.300  -1.374   1.548  1.00  0.00           H  
HETATM   24  H   UNL     1       5.147   0.545   0.258  1.00  0.00           H  
HETATM   25  H   UNL     1       1.346   0.951  -1.634  1.00  0.00           H  
HETATM   26  H   UNL     1       3.669   1.710  -1.330  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.531   2.898   0.762  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.817   0.661  -1.337  1.00  0.00           H  
CONECT    1    3    6   15   16                                       
CONECT    2   12   12                                                 
CONECT    3    1    4   12   17                                       
CONECT    4    3    5   14   18                                       
CONECT    5    4   19   20   21                                       
CONECT    6    1    7    7   10                                       
CONECT    7    6    6    8   22                                       
CONECT    8    7    9    9   23                                       
CONECT    9    8    8   11   24                                       
CONECT   10    6   11   11   25                                       
CONECT   11    9   10   10   26                                       
CONECT   12    2    2    3   13                                       
CONECT   13   12   27                                                 
CONECT   14    4   28                                                 
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
