COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.604  -1.468  -2.008  1.00  0.00           C  
HETATM    2  C   UNL     1       1.162  -1.021  -0.655  1.00  0.00           C  
HETATM    3  C   UNL     1       0.999  -2.134   0.348  1.00  0.00           C  
HETATM    4  O   UNL     1       1.584  -3.322   0.132  1.00  0.00           O  
HETATM    5  O   UNL     1       0.341  -1.957   1.346  1.00  0.00           O  
HETATM    6  N   UNL     1       0.433   0.163  -0.193  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.961   0.133  -0.100  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.736   0.146  -1.253  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.113   0.116  -1.157  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.721   0.072   0.085  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.952   0.058   1.234  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.574   0.083   1.145  1.00  0.00           C  
HETATM   13  S   UNL     1       1.260   1.537   0.219  1.00  0.00           S  
HETATM   14  C   UNL     1       1.297   2.517  -1.307  1.00  0.00           C  
HETATM   15  O   UNL     1       0.438   2.163   1.194  1.00  0.00           O  
HETATM   16  O   UNL     1       2.564   1.076   0.546  1.00  0.00           O  
HETATM   17  H   UNL     1       1.158  -2.338  -2.359  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.449  -1.726  -1.900  1.00  0.00           H  
HETATM   19  H   UNL     1       0.707  -0.657  -2.729  1.00  0.00           H  
HETATM   20  H   UNL     1       2.219  -0.778  -0.760  1.00  0.00           H  
HETATM   21  H   UNL     1       1.451  -4.006   0.804  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.262   0.181  -2.222  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.717   0.127  -2.053  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.798   0.048   0.157  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.430   0.023   2.202  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.975   0.072   2.043  1.00  0.00           H  
HETATM   27  H   UNL     1       0.289   2.862  -1.542  1.00  0.00           H  
HETATM   28  H   UNL     1       1.952   3.378  -1.171  1.00  0.00           H  
HETATM   29  H   UNL     1       1.670   1.902  -2.126  1.00  0.00           H  
CONECT    1    2   17   18   19                                       
CONECT    2    1    6    3   20                                       
CONECT    3    2    5    5    4                                       
CONECT    4    3   21                                                 
CONECT    5    3    3                                                 
CONECT    6    2   13    7                                            
CONECT    7   12    6    8    8                                       
CONECT    8    7    7    9   22                                       
CONECT    9   10   10    8   23                                       
CONECT   10   11    9    9   24                                       
CONECT   11   12   12   10   25                                       
CONECT   12   11   11    7   26                                       
CONECT   13   15   15   16   16                                       
CONECT   13    6   14                                                 
CONECT   14   13   27   28   29                                       
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17    1                                                      
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    4                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
