RESIDUE   CDX     35
CONECT      OAO    1 CAP 
CONECT      CAP    3 OAO  NAI  CAQ 
CONECT      NAI    3 CAP  CAC  HAI 
CONECT      CAC    3 NAI  OAB  CAD 
CONECT      OAB    1 CAC 
CONECT      CAD    4 CAC  NAJ  HAD1 HAD2
CONECT      CAQ    4 CAP  NAJ  HAQ1 HAQ2
CONECT      NAJ    3 CAD  CAQ  CAK 
CONECT      CAK    4 NAJ  CAL  HAK1 HAK2
CONECT      CAL    4 CAK  CAE  NAM  HAL 
CONECT      CAE    4 CAL  HAE1 HAE2 HAE3
CONECT      NAM    3 CAL  CAR  CAF 
CONECT      CAR    4 NAM  CAS  HAR1 HAR2
CONECT      CAS    3 CAR  OAT  NAN 
CONECT      OAT    1 CAS 
CONECT      NAN    3 CAS  CAG  HAN 
CONECT      CAG    3 NAN  CAF  OAH 
CONECT      CAF    4 NAM  CAG  HAF1 HAF2
CONECT      OAH    1 CAG 
CONECT      HAI    1 NAI 
CONECT      HAD1   1 CAD 
CONECT      HAD2   1 CAD 
CONECT      HAQ1   1 CAQ 
CONECT      HAQ2   1 CAQ 
CONECT      HAK1   1 CAK 
CONECT      HAK2   1 CAK 
CONECT      HAL    1 CAL 
CONECT      HAE1   1 CAE 
CONECT      HAE2   1 CAE 
CONECT      HAE3   1 CAE 
CONECT      HAR1   1 CAR 
CONECT      HAR2   1 CAR 
CONECT      HAN    1 NAN 
CONECT      HAF1   1 CAF 
CONECT      HAF2   1 CAF 
END   
HET    CDX             35
HETSYN     CDX ICRF-187
HETNAM     CDX (S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIO
HETNAM   2 CDX NE
FORMUL      CDX    C11 H16 N4 O4