RESIDUE   3M8     25
CONECT      OAQ    2 SAN  H8  
CONECT      SAN    4 OAQ  OAO  OAP  CAM 
CONECT      OAO    1 SAN 
CONECT      OAP    1 SAN 
CONECT      CAM    4 SAN  CAL  H1   H2  
CONECT      CAL    4 CAM  SAK  H3   H4  
CONECT      SAK    2 CAL  CAB 
CONECT      CAB    3 SAK  CAC  CAA 
CONECT      CAC    3 CAB  CAD  H5  
CONECT      CAD    3 CAC  OAI  CAE 
CONECT      OAI    2 CAD  H6  
CONECT      CAE    3 CAD  CAF  H7  
CONECT      CAF    3 CAE  FAH  CAA 
CONECT      FAH    1 CAF 
CONECT      CAA    3 CAB  CAF  CAG 
CONECT      CAG    2 CAA  NAJ 
CONECT      NAJ    1 CAG 
CONECT      H1     1 CAM 
CONECT      H2     1 CAM 
CONECT      H3     1 CAL 
CONECT      H4     1 CAL 
CONECT      H5     1 CAC 
CONECT      H6     1 OAI 
CONECT      H7     1 CAE 
CONECT      H8     1 OAQ 
END   
HET    3M8             25
HETNAM     3M8 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesul
HETNAM   2 3M8 fonic acid
FORMUL      3M8    C9 H8 F1 N1 O4 S2