RESIDUE   JKE     16
CONECT      SD     2 CE1  HSD 
CONECT      CG     3 CZ   OD1  OD2 
CONECT      CZ     3 CG   CE1  CE2 
CONECT      CD1    3 CE1  CG1  HD1 
CONECT      OD1    1 CG  
CONECT      CD2    3 CE2  CG1  HD2 
CONECT      OD2    2 CG   H6  
CONECT      CE1    3 SD   CZ   CD1 
CONECT      CE2    3 CZ   CD2  HE2 
CONECT      CG1    3 CD1  CD2  HG1 
CONECT      HSD    1 SD  
CONECT      HD1    1 CD1 
CONECT      HD2    1 CD2 
CONECT      HE2    1 CE2 
CONECT      HG1    1 CG1 
CONECT      H6     1 OD2 
END   
HET    JKE             16
HETNAM     JKE 2-sulfanylbenzoic acid
FORMUL      JKE    C7 H6 O2 S1