RESIDUE   4MM     30
CONECT      OXT    2 CAJ  HOXT
CONECT      CAA    4 SAI  HAA  HAAA HAAB
CONECT      SAI    2 CAA  CAG 
CONECT      CAG    4 SAI  CAH  HAG  HAGA
CONECT      CAH    4 CAG  CAK  HAH  HAHA
CONECT      CAK    4 CAH  CAJ  NAL  HAK 
CONECT      CAJ    3 OXT  CAK  O   
CONECT      NAL    4 CAK  CAB  CAC  CAD 
CONECT      CAB    4 NAL  HAB  HABA HABB
CONECT      CAC    4 NAL  HAC  HACA HACB
CONECT      CAD    4 NAL  HAD  HADA HADB
CONECT      O      1 CAJ 
CONECT      HAA    1 CAA 
CONECT      HAAA   1 CAA 
CONECT      HAAB   1 CAA 
CONECT      HAG    1 CAG 
CONECT      HAGA   1 CAG 
CONECT      HAH    1 CAH 
CONECT      HAHA   1 CAH 
CONECT      HAK    1 CAK 
CONECT      HAB    1 CAB 
CONECT      HABA   1 CAB 
CONECT      HABB   1 CAB 
CONECT      HAC    1 CAC 
CONECT      HACA   1 CAC 
CONECT      HACB   1 CAC 
CONECT      HAD    1 CAD 
CONECT      HADA   1 CAD 
CONECT      HADB   1 CAD 
CONECT      HOXT   1 OXT 
END   
HET    4MM             30
HETNAM     4MM (1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan
HETNAM   2 4MM -1-aminium
FORMUL      4MM    C8 H18 N1 O2 S1 1+