COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.071  -0.379  -0.411  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.441  -0.643   0.205  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.461  -0.158  -0.669  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.533   0.081   1.554  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.743  -0.290   2.217  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.327  -0.325   2.409  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.318   0.439   3.616  1.00  0.00           O  
HETATM    8  C   UNL     1       0.956  -0.054   1.622  1.00  0.00           C  
HETATM    9  C   UNL     1       2.167  -0.411   2.485  1.00  0.00           C  
HETATM   10  O   UNL     1       3.367  -0.156   1.753  1.00  0.00           O  
HETATM   11  O   UNL     1       0.970  -0.845   0.435  1.00  0.00           O  
HETATM   12  N   UNL     1       0.020  -1.008  -1.736  1.00  0.00           N  
HETATM   13  C   UNL     1       0.213  -0.010  -2.620  1.00  0.00           C  
HETATM   14  S   UNL     1       0.380  -0.252  -4.306  1.00  0.00           S  
HETATM   15  N   UNL     1       0.258   1.190  -2.032  1.00  0.00           N  
HETATM   16  C   UNL     1       0.098   1.096  -0.695  1.00  0.00           C  
HETATM   17  O   UNL     1       0.092   2.003   0.108  1.00  0.00           O  
HETATM   18  H   UNL     1      -1.571  -1.714   0.358  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.308  -0.345  -0.242  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.521   1.159   1.391  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.759   0.186   3.057  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.392  -1.386   2.650  1.00  0.00           H  
HETATM   23  H   UNL     1       0.453   0.152   4.122  1.00  0.00           H  
HETATM   24  H   UNL     1       1.001   1.001   1.354  1.00  0.00           H  
HETATM   25  H   UNL     1       2.123  -1.467   2.754  1.00  0.00           H  
HETATM   26  H   UNL     1       2.159   0.194   3.391  1.00  0.00           H  
HETATM   27  H   UNL     1       4.104  -0.394   2.331  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.045  -1.955  -1.934  1.00  0.00           H  
HETATM   29  H   UNL     1       0.389   2.025  -2.507  1.00  0.00           H  
CONECT    1    2   11   12   16                                       
CONECT    2    1    3    4   18                                       
CONECT    3    2   19                                                 
CONECT    4    2    5    6   20                                       
CONECT    5    4   21                                                 
CONECT    6    4    7    8   22                                       
CONECT    7    6   23                                                 
CONECT    8    6    9   11   24                                       
CONECT    9    8   10   25   26                                       
CONECT   10    9   27                                                 
CONECT   11    1    8                                                 
CONECT   12    1   13   28                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   29                                            
CONECT   16    1   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   15                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
