RESIDUE   XEG     50
CONECT      OAA    1 CAS 
CONECT      OAB    2 CAT  HOAB
CONECT      OAC    2 CAU  HOAC
CONECT      OAD    2 CAV  HOAD
CONECT      OAE    2 CAW  HOAE
CONECT      OAF    2 CAX  HOAF
CONECT      OAG    2 CAY  HOAG
CONECT      OAH    2 CBB  HOAH
CONECT      CAI    3 CAJ  CAU  HAI 
CONECT      CAJ    3 CAI  CBA  HAJ 
CONECT      CAK    3 CAT  CAY  HAK 
CONECT      CAL    3 CAW  CAZ  HAL 
CONECT      CAM    3 CAX  CAZ  HAM 
CONECT      CAN    3 CAT  CBC  HAN 
CONECT      CAO    3 CAV  CBA  HAO 
CONECT      CAP    4 CBD  CBE  HAP  HAPA
CONECT      OAQ    2 CAS  CBE 
CONECT      OAR    2 CBC  CBF 
CONECT      CAS    3 OAA  OAQ  CAZ 
CONECT      CAT    3 OAB  CAK  CAN 
CONECT      CAU    3 OAC  CAI  CAV 
CONECT      CAV    3 OAD  CAO  CAU 
CONECT      CAW    3 OAE  CAL  CBB 
CONECT      CAX    3 OAF  CAM  CBB 
CONECT      CAY    3 OAG  CAK  CBD 
CONECT      CAZ    3 CAL  CAM  CAS 
CONECT      CBA    3 CAJ  CAO  CBF 
CONECT      CBB    3 OAH  CAW  CAX 
CONECT      CBC    3 CAN  OAR  CBD 
CONECT      CBD    3 CAP  CAY  CBC 
CONECT      CBE    4 CAP  OAQ  CBF  HBE 
CONECT      CBF    4 OAR  CBA  CBE  HBF 
CONECT      HOAB   1 OAB 
CONECT      HOAC   1 OAC 
CONECT      HOAD   1 OAD 
CONECT      HOAE   1 OAE 
CONECT      HOAF   1 OAF 
CONECT      HOAG   1 OAG 
CONECT      HOAH   1 OAH 
CONECT      HAI    1 CAI 
CONECT      HAJ    1 CAJ 
CONECT      HAK    1 CAK 
CONECT      HAL    1 CAL 
CONECT      HAM    1 CAM 
CONECT      HAN    1 CAN 
CONECT      HAO    1 CAO 
CONECT      HAP    1 CAP 
CONECT      HAPA   1 CAP 
CONECT      HBE    1 CBE 
CONECT      HBF    1 CBF 
END   
HET    XEG             50
HETNAM     XEG (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihyd
HETNAM   2 XEG ro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
FORMUL      XEG    C22 H18 O10