COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.129  -0.842  -0.673  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.116  -1.823   0.032  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.988   1.570  -0.117  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.888   1.338   0.968  1.00  0.00           O  
HETATM    5  N   UNL     1      -0.361  -0.023   0.774  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.184   0.299  -0.394  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.032   2.708   0.249  1.00  0.00           C  
HETATM    8  S   UNL     1       1.146  -0.679   0.570  1.00  0.00           S  
HETATM    9  O   UNL     1       1.622  -0.883   1.893  1.00  0.00           O  
HETATM   10  O   UNL     1       0.935  -1.775  -0.310  1.00  0.00           O  
HETATM   11  C   UNL     1       2.099   0.625  -0.256  1.00  0.00           C  
HETATM   12  C   UNL     1       3.490   0.095  -0.609  1.00  0.00           C  
HETATM   13  C   UNL     1       4.294   1.195  -1.304  1.00  0.00           C  
HETATM   14  H   UNL     1      -2.554   1.844  -1.007  1.00  0.00           H  
HETATM   15  H   UNL     1      -2.452   1.090   1.795  1.00  0.00           H  
HETATM   16  H   UNL     1      -0.698   0.147   1.667  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.541   0.457  -1.260  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.408   2.403   1.089  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.400   2.941  -0.608  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.608   3.591   0.526  1.00  0.00           H  
HETATM   21  H   UNL     1       1.585   0.930  -1.167  1.00  0.00           H  
HETATM   22  H   UNL     1       2.195   1.482   0.411  1.00  0.00           H  
HETATM   23  H   UNL     1       4.005  -0.210   0.303  1.00  0.00           H  
HETATM   24  H   UNL     1       3.394  -0.762  -1.275  1.00  0.00           H  
HETATM   25  H   UNL     1       4.391   2.052  -0.638  1.00  0.00           H  
HETATM   26  H   UNL     1       5.285   0.817  -1.556  1.00  0.00           H  
HETATM   27  H   UNL     1       3.780   1.500  -2.216  1.00  0.00           H  
HETATM   28  O   UNL     1      -2.981  -0.770  -1.707  1.00  0.00           O  
HETATM   29  H   UNL     1      -3.565  -1.528  -1.849  1.00  0.00           H  
CONECT    1    2    2    6   28                                       
CONECT    2    1    1                                                 
CONECT    3    4    6    7   14                                       
CONECT    4    3   15                                                 
CONECT    5    6    8   16                                            
CONECT    6    1    3    5   17                                       
CONECT    7    3   18   19   20                                       
CONECT    8    5    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   21   22                                       
CONECT   12   11   13   23   24                                       
CONECT   13   12   25   26   27                                       
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    7                                                      
CONECT   20    7                                                      
CONECT   21   11                                                      
CONECT   22   11                                                      
CONECT   23   12                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27   13                                                      
CONECT   28    1   29                                                 
CONECT   29   28                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
