COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.162   1.873  -0.452  1.00  0.00           N  
HETATM    2  CA  UNL     1       0.328   0.424  -0.622  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.707  -0.312   0.232  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.456  -1.819   0.152  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.588   0.149   1.686  1.00  0.00           C  
HETATM    6  S   UNL     1      -2.372   0.057  -0.386  1.00  0.00           S  
HETATM    7  C   UNL     1       1.714   0.022  -0.189  1.00  0.00           C  
HETATM    8  OXT UNL     1       2.352   0.744   0.540  1.00  0.00           O  
HETATM    9  H1  UNL     1      -0.736   2.178  -0.796  1.00  0.00           H  
HETATM   10  H2  UNL     1       0.290   2.141   0.513  1.00  0.00           H  
HETATM   11  HA  UNL     1       0.185   0.162  -1.671  1.00  0.00           H  
HETATM   12  H   UNL     1       0.545  -2.041   0.523  1.00  0.00           H  
HETATM   13  H   UNL     1      -1.193  -2.343   0.760  1.00  0.00           H  
HETATM   14  H   UNL     1      -0.540  -2.147  -0.884  1.00  0.00           H  
HETATM   15  H   UNL     1      -0.767   1.223   1.743  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.326  -0.375   2.294  1.00  0.00           H  
HETATM   17  H   UNL     1       0.412  -0.073   2.057  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.165  -0.644   0.445  1.00  0.00           H  
HETATM   19  O   UNL     1       2.240  -1.139  -0.611  1.00  0.00           O  
HETATM   20  H   UNL     1       3.132  -1.354  -0.306  1.00  0.00           H  
CONECT    1    9   10    2                                            
CONECT    2    1    3   11    7                                       
CONECT    3    2    5    4    6                                       
CONECT    4    3   12   13   14                                       
CONECT    5    3   15   16   17                                       
CONECT    6    3   18                                                 
CONECT    7    2   19    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    1                                                      
CONECT   10    1                                                      
CONECT   11    2                                                      
CONECT   12    4                                                      
CONECT   13    4                                                      
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    7   20                                                 
CONECT   20   19                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
