RESIDUE 5BB 72 CONECT CAU 4 CAS NBH H1 H2 CONECT CAS 4 CAU NBG H3 H4 CONECT NBG 3 CAS CAC CAT CONECT CAC 4 NBG H6 H7 H8 CONECT CAT 4 NBG CAV H9 H10 CONECT CAV 4 CAT NBH H11 H12 CONECT NBH 3 CAU CAV SBI CONECT SBI 4 NBH OAE OAF CAZ CONECT OAE 1 SBI CONECT OAF 1 SBI CONECT CAZ 3 SBI CAJ CAH CONECT CAJ 3 CAZ CBD H13 CONECT CAH 3 CAZ CAI H14 CONECT CAI 3 CAH CBA H15 CONECT CBA 3 CAI OAY CBD CONECT OAY 2 CBA CAL CONECT CAL 4 OAY CAB H16 H17 CONECT CAB 4 CAL H18 H19 H20 CONECT CBD 3 CAJ CBA CBE CONECT CBE 3 CBD NAW NAX CONECT NAW 2 CBE CBB CONECT NAX 3 CBE CBF H21 CONECT CBF 3 NAX OAD CBC CONECT OAD 1 CBF CONECT CBC 3 CBF BR CBB CONECT BR 1 CBC CONECT CBB 3 NAW CBC CAR CONECT CAR 4 CBB CAQ H22 H23 CONECT CAQ 4 CAR CAP H24 H5 CONECT CAP 4 CAQ CAO H25 H35 CONECT CAO 4 CAP CAN H26 H36 CONECT CAN 4 CAO CAM H27 H37 CONECT CAM 4 CAN CAK H28 H29 CONECT CAK 4 CAM CAA H30 H31 CONECT CAA 4 CAK H32 H33 H34 CONECT H1 1 CAU CONECT H2 1 CAU CONECT H3 1 CAS CONECT H4 1 CAS CONECT H6 1 CAC CONECT H7 1 CAC CONECT H8 1 CAC CONECT H9 1 CAT CONECT H10 1 CAT CONECT H11 1 CAV CONECT H12 1 CAV CONECT H13 1 CAJ CONECT H14 1 CAH CONECT H15 1 CAI CONECT H16 1 CAL CONECT H17 1 CAL CONECT H18 1 CAB CONECT H19 1 CAB CONECT H20 1 CAB CONECT H21 1 NAX CONECT H22 1 CAR CONECT H23 1 CAR CONECT H24 1 CAQ CONECT H25 1 CAP CONECT H26 1 CAO CONECT H27 1 CAN CONECT H28 1 CAM CONECT H29 1 CAM CONECT H30 1 CAK CONECT H31 1 CAK CONECT H32 1 CAA CONECT H33 1 CAA CONECT H34 1 CAA CONECT H5 1 CAQ CONECT H35 1 CAP CONECT H36 1 CAO CONECT H37 1 CAN END HET 5BB 72 HETNAM 5BB 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl HETNAM 2 5BB ]phenyl}-6-octylpyrimidin-4(3H)-one FORMUL 5BB C25 H37 Br1 N4 O4 S1