RESIDUE 0QF 96 CONECT O1 2 C2 C6 CONECT C2 4 O1 C3 H21 H22 CONECT C3 4 C2 N4 H31 H32 CONECT N4 3 C3 C5 S CONECT C5 4 N4 C6 H51 H52 CONECT C6 4 O1 C5 H61 H62 CONECT S 4 N4 O1S O2S N CONECT O1S 1 S CONECT O2S 1 S CONECT N 3 S CA H CONECT CA 4 N C CB HA CONECT C 3 CA O N1 CONECT O 1 C CONECT CB 4 CA CG HB2 HB3 CONECT CG 3 CB CD1 CD2 CONECT CD1 3 CG CE1 HD1 CONECT CD2 3 CG CE2 HD2 CONECT CE1 3 CD1 CZ HE1 CONECT CE2 3 CD2 CZ HE2 CONECT CZ 3 CE1 CE2 HZ CONECT N1 3 C CA1 H1 CONECT CA1 4 N1 C1 S1 HA1 CONECT C1 3 CA1 O2 N2 CONECT O2 1 C1 CONECT S1 2 CA1 C11 CONECT C11 4 S1 C21 H11 H12 CONECT C21 4 C11 H211 H221 H23 CONECT C12 4 N2 C22 C7' H13 CONECT N2 3 C1 C12 HN1 CONECT C22 4 C12 O21 C31 H2 CONECT O21 2 C22 HO2 CONECT C31 4 C22 O3 C4 H3 CONECT O3 2 C31 HO3 CONECT C4 4 C31 C51 H41 H42 CONECT C51 4 C4 C61 C7 H5 CONECT C61 4 C51 H611 H621 H63 CONECT C7 4 C51 H71 H72 H73 CONECT C7' 4 C12 C1' H7'1 H7'2 CONECT C1' 4 C7' C2' C6' H1' CONECT C2' 4 C1' C3' H2'1 H2'2 CONECT C6' 4 C1' C5' H6'1 H6'2 CONECT C3' 4 C2' C4' H3'1 H3'2 CONECT C5' 4 C6' C4' H5'1 H5'2 CONECT C4' 4 C3' C5' H4'1 H4'2 CONECT H21 1 C2 CONECT H22 1 C2 CONECT H31 1 C3 CONECT H32 1 C3 CONECT H51 1 C5 CONECT H52 1 C5 CONECT H61 1 C6 CONECT H62 1 C6 CONECT H 1 N CONECT HA 1 CA CONECT HB2 1 CB CONECT HB3 1 CB CONECT HD1 1 CD1 CONECT HD2 1 CD2 CONECT HE1 1 CE1 CONECT HE2 1 CE2 CONECT HZ 1 CZ CONECT H1 1 N1 CONECT HA1 1 CA1 CONECT H11 1 C11 CONECT H12 1 C11 CONECT H211 1 C21 CONECT H221 1 C21 CONECT H23 1 C21 CONECT H13 1 C12 CONECT HN1 1 N2 CONECT H2 1 C22 CONECT HO2 1 O21 CONECT H3 1 C31 CONECT HO3 1 O3 CONECT H41 1 C4 CONECT H42 1 C4 CONECT H5 1 C51 CONECT H611 1 C61 CONECT H621 1 C61 CONECT H63 1 C61 CONECT H71 1 C7 CONECT H72 1 C7 CONECT H73 1 C7 CONECT H7'1 1 C7' CONECT H7'2 1 C7' CONECT H1' 1 C1' CONECT H2'1 1 C2' CONECT H2'2 1 C2' CONECT H6'1 1 C6' CONECT H6'2 1 C6' CONECT H3'1 1 C3' CONECT H3'2 1 C3' CONECT H5'1 1 C5' CONECT H5'2 1 C5' CONECT H4'1 1 C4' CONECT H4'2 1 C4' END HET 0QF 96 HETSYN 0QF PD-133,450 HETNAM 0QF N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-met HETNAM 2 0QF hylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nal HETNAM 3 0QF pha-(morp holin-4-ylsulfonyl)-L-phenylalaninamide FORMUL 0QF C31 H52 N4 O7 S2