COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.546   0.368  -1.805  1.00  0.00           C  
HETATM    2  S   UNL     1       0.462  -0.445  -0.537  1.00  0.00           S  
HETATM    3  C   UNL     1      -0.240   0.307   0.955  1.00  0.00           C  
HETATM    4  C   UNL     1       0.475  -0.243   2.190  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.092   0.364   3.396  1.00  0.00           N  
HETATM    6  C   UNL     1       0.395   0.019   4.634  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.137   0.590   5.766  1.00  0.00           N  
HETATM    8  N   UNL     1       1.362  -0.847   4.736  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.999   0.038  -1.579  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.410  -1.238  -1.609  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.795   0.924  -1.372  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.121  -0.124  -3.190  1.00  0.00           C  
HETATM   13  C   UNL     1       1.331   0.205  -3.416  1.00  0.00           C  
HETATM   14  O   UNL     1       1.962   0.776  -2.558  1.00  0.00           O  
HETATM   15  O   UNL     1       1.925  -0.135  -4.571  1.00  0.00           O  
HETATM   16  H   UNL     1      -0.405   1.447  -1.745  1.00  0.00           H  
HETATM   17  H   UNL     1      -1.302   0.071   1.016  1.00  0.00           H  
HETATM   18  H   UNL     1      -0.110   1.388   0.913  1.00  0.00           H  
HETATM   19  H   UNL     1       1.537  -0.007   2.130  1.00  0.00           H  
HETATM   20  H   UNL     1       0.345  -1.325   2.233  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.812   1.009   3.320  1.00  0.00           H  
HETATM   22  H   UNL     1       0.206   0.347   6.640  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.855   1.239   5.690  1.00  0.00           H  
HETATM   24  H   UNL     1       1.738  -1.250   3.937  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.342  -1.450  -1.464  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.262  -1.203  -3.250  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.727   0.364  -3.952  1.00  0.00           H  
HETATM   28  H   UNL     1       2.857   0.076  -4.716  1.00  0.00           H  
CONECT    1    2    9   12   16                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   17   18                                       
CONECT    4    3    5   19   20                                       
CONECT    5    4    6   21                                            
CONECT    6    5    7    8    8                                       
CONECT    7    6   22   23                                            
CONECT    8    6    6   24                                            
CONECT    9    1   10   11   11                                       
CONECT   10    9   25                                                 
CONECT   11    9    9                                                 
CONECT   12    1   13   26   27                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   28                                                 
CONECT   16    1                                                      
CONECT   17    3                                                      
CONECT   18    3                                                      
CONECT   19    4                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    7                                                      
CONECT   23    7                                                      
CONECT   24    8                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   15                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
