COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.294   0.253   0.003  1.00  0.00           C  
HETATM    2  C   UNL     1       0.815   0.318  -0.007  1.00  0.00           C  
HETATM    3  CA  UNL     1       2.051  -0.461  -0.463  1.00  0.00           C  
HETATM    4  N   UNL     1       2.018  -1.812   0.112  1.00  0.00           N  
HETATM    5  O   UNL     1       3.877  -0.131   0.989  1.00  0.00           O  
HETATM    6  S   UNL     1      -4.314   0.208   0.133  1.00  0.00           S  
HETATM    7  C   UNL     1      -2.849  -0.715  -0.407  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.607   0.060  -0.049  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.701   1.130   0.515  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.392  -0.435  -0.356  1.00  0.00           N  
HETATM   11  H   UNL     1       0.855   0.463   1.072  1.00  0.00           H  
HETATM   12  H   UNL     1       0.794   1.288  -0.504  1.00  0.00           H  
HETATM   13  HA  UNL     1       2.057  -0.529  -1.551  1.00  0.00           H  
HETATM   14  H1  UNL     1       2.012  -1.776   1.120  1.00  0.00           H  
HETATM   15  H2  UNL     1       1.227  -2.334  -0.236  1.00  0.00           H  
HETATM   16  H   UNL     1      -5.330  -0.588  -0.245  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.828  -1.685   0.089  1.00  0.00           H  
HETATM   18  H   UNL     1      -2.888  -0.859  -1.487  1.00  0.00           H  
HETATM   19  H   UNL     1      -0.317  -1.291  -0.807  1.00  0.00           H  
HETATM   20  OXT UNL     1       3.757   1.311  -0.681  1.00  0.00           O  
HETATM   21  HXT UNL     1       4.560   1.734  -0.346  1.00  0.00           H  
CONECT    1    3    5    5   20                                       
CONECT    2    3   10   11   12                                       
CONECT    3    4    1    2   13                                       
CONECT    4    3   14   15                                            
CONECT    5    1    1                                                 
CONECT    6    7   16                                                 
CONECT    7    6    8   17   18                                       
CONECT    8   10    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    2    8   19                                            
CONECT   11    2                                                      
CONECT   12    2                                                      
CONECT   13    3                                                      
CONECT   14    4                                                      
CONECT   15    4                                                      
CONECT   16    6                                                      
CONECT   17    7                                                      
CONECT   18    7                                                      
CONECT   19   10                                                      
CONECT   20    1   21                                                 
CONECT   21   20                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
