RESIDUE   JKK     27
CONECT      CAE    3 CAF  CAG  H1  
CONECT      CAF    3 CAE  CAM  H2  
CONECT      CAG    3 CAE  CAN  H3  
CONECT      CAH    3 CAM  CAN  H4  
CONECT      CAI    4 CAJ  NAL  H5   H6  
CONECT      CAJ    4 CAI  SAO  H7   H8  
CONECT      CAK    4 CAN  NAL  H9   H10 
CONECT      CAM    3 CAF  CAH  CL  
CONECT      CAN    3 CAG  CAH  CAK 
CONECT      NAL    3 CAI  CAK  H11 
CONECT      OAA    1 SAO 
CONECT      OAB    2 SAO  H12 
CONECT      OAC    1 SAO 
CONECT      SAO    4 CAJ  OAA  OAB  OAC 
CONECT      CL     1 CAM 
CONECT      H1     1 CAE 
CONECT      H2     1 CAF 
CONECT      H3     1 CAG 
CONECT      H4     1 CAH 
CONECT      H5     1 CAI 
CONECT      H6     1 CAI 
CONECT      H7     1 CAJ 
CONECT      H8     1 CAJ 
CONECT      H9     1 CAK 
CONECT      H10    1 CAK 
CONECT      H11    1 NAL 
CONECT      H12    1 OAB 
END   
HET    JKK             27
HETNAM     JKK 2-[(3-chlorobenzyl)amino]ethanesulfonic acid
FORMUL      JKK    C9 H12 Cl1 N1 O3 S1