RESIDUE   UBK     88
CONECT      CBU    4 OBT  HCD  HCE  HBU 
CONECT      OBT    2 CBU  CAF 
CONECT      CAF    3 OBT  CAG  CAE 
CONECT      CAG    3 CAF  CAA  HAG 
CONECT      CAE    3 CAF  OBR  CAD 
CONECT      OBR    2 CAE  CBS 
CONECT      CBS    4 OBR  HCC  HBS  HCB 
CONECT      CAD    3 CAE  CAC  HAE 
CONECT      CAC    3 CAD  CAA  HAD 
CONECT      CAA    3 CAG  CAC  CAB 
CONECT      CAB    4 CAA  CAH  HAC  HAB 
CONECT      CAH    4 CAB  CAI  HAI  HAH 
CONECT      CAI    4 CAH  OAK  CAJ  HAJ 
CONECT      OAK    2 CAI  C   
CONECT      C      3 OAK  O    CA  
CONECT      O      1 C   
CONECT      CA     4 C    CB   N    HA  
CONECT      CB     4 CA   CAU  HB2  HB1 
CONECT      CAU    4 CB   CAV  HAU  HB3 
CONECT      CAV    4 CAU  CAW  HAV  HB4 
CONECT      CAW    4 CAV  N    HB5  HAW 
CONECT      N      3 CA   CAW  CAY 
CONECT      CAY    3 N    OBA  CAZ 
CONECT      OBA    1 CAY 
CONECT      CAZ    4 CAY  CBC  NBB  HAZ 
CONECT      CBC    3 CAZ  SBN  CBQ 
CONECT      SBN    2 CBC  CBO 
CONECT      CBO    3 SBN  CBP  HBO 
CONECT      CBP    3 CBO  CBQ  HBP 
CONECT      CBQ    3 CBC  CBP  HBQ 
CONECT      NBB    3 CAZ  CBD  HBB 
CONECT      CBD    3 NBB  OBJ  CBE 
CONECT      OBJ    1 CBD 
CONECT      CBE    4 CBD  CBK  CBL  NBM 
CONECT      CBK    4 CBE  HBK  HB7  HB8 
CONECT      CBL    4 CBE  HCA  HBL  HB9 
CONECT      NBM    3 CBE  CBH  HBM 
CONECT      CBH    3 NBM  OBI  CBG 
CONECT      OBI    1 CBH 
CONECT      CBG    4 CBH  OBF  HBG  HB6 
CONECT      OBF    2 CBG  CAM 
CONECT      CAM    3 OBF  CAL  CAN 
CONECT      CAL    3 CAM  CAJ  HAL 
CONECT      CAJ    3 CAI  CAL  CAP 
CONECT      CAP    3 CAJ  CAO  HAP 
CONECT      CAO    3 CAP  CAN  HAO 
CONECT      CAN    3 CAM  CAO  HAN 
CONECT      HCD    1 CBU 
CONECT      HCE    1 CBU 
CONECT      HBU    1 CBU 
CONECT      HAG    1 CAG 
CONECT      HCC    1 CBS 
CONECT      HBS    1 CBS 
CONECT      HCB    1 CBS 
CONECT      HAE    1 CAD 
CONECT      HAD    1 CAC 
CONECT      HAC    1 CAB 
CONECT      HAB    1 CAB 
CONECT      HAI    1 CAH 
CONECT      HAH    1 CAH 
CONECT      HAJ    1 CAI 
CONECT      HA     1 CA  
CONECT      HB2    1 CB  
CONECT      HB1    1 CB  
CONECT      HAU    1 CAU 
CONECT      HB3    1 CAU 
CONECT      HAV    1 CAV 
CONECT      HB4    1 CAV 
CONECT      HB5    1 CAW 
CONECT      HAW    1 CAW 
CONECT      HAZ    1 CAZ 
CONECT      HBO    1 CBO 
CONECT      HBP    1 CBP 
CONECT      HBQ    1 CBQ 
CONECT      HBB    1 NBB 
CONECT      HBK    1 CBK 
CONECT      HB7    1 CBK 
CONECT      HB8    1 CBK 
CONECT      HCA    1 CBL 
CONECT      HBL    1 CBL 
CONECT      HB9    1 CBL 
CONECT      HBM    1 NBM 
CONECT      HBG    1 CBG 
CONECT      HB6    1 CBG 
CONECT      HAL    1 CAL 
CONECT      HAP    1 CAP 
CONECT      HAO    1 CAO 
CONECT      HAN    1 CAN 
END   
HET    UBK             88
HETNAM     UBK (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-1
HETNAM   2 UBK 5,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-tria
HETNAM   3 UBK zatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene
HETNAM   4 UBK -4,11,14,17-tetrone
FORMUL      UBK    C35 H41 N3 O8 S