COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.715   0.502  -0.249  1.00  0.00           C  
HETATM    2  S   UNL     1       4.472  -0.663   0.361  1.00  0.00           S  
HETATM    3  CA  UNL     1      -3.169  -0.502   0.337  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.803   1.250   0.937  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.672  -0.437   0.284  1.00  0.00           C  
HETATM    6  C   UNL     1       0.548   0.380  -0.147  1.00  0.00           C  
HETATM    7  OXT UNL     1      -5.088   0.067  -0.908  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.423   0.292   0.076  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.215  -1.755  -0.429  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.950   0.315  -0.094  1.00  0.00           C  
HETATM   11  N   UNL     1       1.771  -0.341   0.216  1.00  0.00           N  
HETATM   12  C   UNL     1       3.001   0.203  -0.074  1.00  0.00           C  
HETATM   13  N   UNL     1       3.078   1.360  -0.672  1.00  0.00           N  
HETATM   14  H   UNL     1       5.585   0.642  -1.322  1.00  0.00           H  
HETATM   15  H   UNL     1       5.597   1.458   0.259  1.00  0.00           H  
HETATM   16  H   UNL     1       6.711   0.106  -0.053  1.00  0.00           H  
HETATM   17  HA  UNL     1      -3.097  -0.729   1.401  1.00  0.00           H  
HETATM   18  H   UNL     1      -5.614   1.732   0.727  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.658  -1.404  -0.218  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.646  -0.588   1.363  1.00  0.00           H  
HETATM   21  H   UNL     1       0.521   0.530  -1.226  1.00  0.00           H  
HETATM   22  H   UNL     1       0.533   1.347   0.356  1.00  0.00           H  
HETATM   23  H1  UNL     1      -3.975  -2.341  -0.117  1.00  0.00           H  
HETATM   24  H2  UNL     1      -3.282  -1.571  -1.419  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.976   0.466  -1.173  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.964   1.282   0.408  1.00  0.00           H  
HETATM   27  H   UNL     1       1.713  -1.201   0.660  1.00  0.00           H  
HETATM   28  H   UNL     1       3.945   1.743  -0.877  1.00  0.00           H  
CONECT    1    2   14   15   16                                       
CONECT    2    1   12                                                 
CONECT    3   10    8    9   17                                       
CONECT    4    8   18                                                 
CONECT    5    6   10   19   20                                       
CONECT    6    5   11   21   22                                       
CONECT    7    8    8                                                 
CONECT    8    3    4    7    7                                       
CONECT    9    3   23   24                                            
CONECT   10    3    5   25   26                                       
CONECT   11    6   12   27                                            
CONECT   12    2   11   13   13                                       
CONECT   13   12   12   28                                            
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
