RESIDUE   04E      8
CONECT      C1     3 O1   CH3  OXT 
CONECT      O1     1 C1  
CONECT      CH3    4 C1   H1   H2   I1  
CONECT      H1     1 CH3 
CONECT      H2     1 CH3 
CONECT      I1     1 CH3 
CONECT      OXT    2 C1   HXT 
CONECT      HXT    1 OXT 
END   
HET    04E              8
HETNAM     04E iodoacetic acid
FORMUL      04E    C2 H3 I O2