RESIDUE   SM3     33
CONECT      CAF    3 CAC  CAE  HAF 
CONECT      CAC    3 CAF  CAB  HAC 
CONECT      CAB    3 CAC  SAD  HAB 
CONECT      SAD    2 CAB  CAE 
CONECT      CAE    3 CAF  SAD  CAG 
CONECT      CAG    4 CAE  CAH  HAG1 HAG2
CONECT      CAH    3 CAG  OAI  NAJ 
CONECT      OAI    1 CAH 
CONECT      NAJ    3 CAH  CAK  HAJ 
CONECT      CAK    4 NAJ  B    CAL  HAK 
CONECT      B      3 CAK  OAT  OAO 
CONECT      OAT    2 B    HAT 
CONECT      OAO    2 B    HAO 
CONECT      CAL    3 CAK  CAQ  CAM 
CONECT      CAQ    3 CAL  CAR  HAQ 
CONECT      CAM    3 CAL  CAN  HAM 
CONECT      CAN    3 CAM  CAS  HAN 
CONECT      CAS    3 CAN  CAR  HAS 
CONECT      CAR    3 CAQ  CAS  HAR 
CONECT      HAF    1 CAF 
CONECT      HAC    1 CAC 
CONECT      HAB    1 CAB 
CONECT      HAG1   1 CAG 
CONECT      HAG2   1 CAG 
CONECT      HAJ    1 NAJ 
CONECT      HAK    1 CAK 
CONECT      HAT    1 OAT 
CONECT      HAO    1 OAO 
CONECT      HAQ    1 CAQ 
CONECT      HAM    1 CAM 
CONECT      HAN    1 CAN 
CONECT      HAS    1 CAS 
CONECT      HAR    1 CAR 
END   
HET    SM3             33
HETNAM     SM3 (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACI
HETNAM   2 SM3 D
FORMUL      SM3    C13 H14 B1 N1 O3 S1