RESIDUE   A1ECK     29
CONECT      S10    4 O11  O12  C13  N   
CONECT      O11    1 S10 
CONECT      O12    1 S10 
CONECT      C13    4 S10  H1   H2   H3  
CONECT      N      3 S10  CA   H4  
CONECT      CA     4 N    C    CB   H5  
CONECT      C      3 CA   O    O1  
CONECT      O      1 C   
CONECT      CB     4 CA   CG   H7   H8  
CONECT      CG     3 CB   CD1  CD2 
CONECT      CD1    3 CG   CE1  H9  
CONECT      CD2    3 CG   CE2  H10 
CONECT      CE1    3 CD1  CZ   H11 
CONECT      CE2    3 CD2  CZ   H12 
CONECT      CZ     3 CE1  CE2  F   
CONECT      F      1 CZ  
CONECT      H1     1 C13 
CONECT      H2     1 C13 
CONECT      H3     1 C13 
CONECT      H4     1 N   
CONECT      H5     1 CA  
CONECT      H7     1 CB  
CONECT      H8     1 CB  
CONECT      H9     1 CD1 
CONECT      H10    1 CD2 
CONECT      H11    1 CE1 
CONECT      H12    1 CE2 
CONECT      O1     2 C    H13 
CONECT      H13    1 O1  
END   
HET    A1ECK             29
HETNAM     A1ECK (2S)-3-(4-fluorophenyl)-2-(methylsulfonylamino)propanoi
HETNAM   2 A1ECK c acid
FORMUL      A1ECK    C10 H12 F N O4 S