RESIDUE 2NC 122 CONECT C 3 O CH3 N CONECT O 1 C CONECT CH3 4 C H1 H2 H3 CONECT N 3 C CA H CONECT CA 4 N C1 CB HA CONECT C1 3 CA O1 N1 CONECT O1 1 C1 CONECT CB 4 CA OG1 CG2 HB CONECT OG1 2 CB HG1 CONECT CG2 4 CB HG21 HG22 HG23 CONECT N1 3 C1 CA1 H4 CONECT CA1 4 N1 C2 CB1 HA1 CONECT C2 3 CA1 O2 N2 CONECT O2 1 C2 CONECT CB1 4 CA1 CG1 CG21 HB1 CONECT CG1 4 CB1 CD1 HG12 HG13 CONECT CG21 4 CB1 HG24 HG25 HG26 CONECT CD1 4 CG1 HD11 HD12 HD13 CONECT N2 3 C2 CA2 H5 CONECT CA2 4 N2 C3 CB2 HA2 CONECT C3 4 CA2 N3 HC31 HC32 CONECT CB2 4 CA2 CG HB2 HB3 CONECT CG 4 CB2 CD HG2 HG3 CONECT CD 4 CG CE HD2 HD3 CONECT CE 4 CD HE1 HE2 HE3 CONECT N3 3 C3 CA3 H6 CONECT CA3 4 N3 C4 CB3 HA3 CONECT C4 3 CA3 O3 N4 CONECT O3 1 C4 CONECT CB3 4 CA3 CG3 HB21 HB31 CONECT CG3 4 CB3 CD2 HG27 HG31 CONECT CD2 4 CG3 CE1 HD21 HD31 CONECT CE1 4 CD2 HE11 HE21 HE31 CONECT N4 3 C4 CA4 H7 CONECT CA4 4 N4 C5 CB4 HA4 CONECT C5 3 CA4 O4 N5 CONECT O4 1 C5 CONECT CB4 4 CA4 CG4 HB22 HB32 CONECT CG4 4 CB4 CD3 HG28 HG32 CONECT CD3 3 CG4 OE1 NE2 CONECT OE1 1 CD3 CONECT NE2 3 CD3 HE22 HE23 CONECT N5 3 C5 CA5 H8 CONECT CA5 4 N5 C6 CB5 HA5 CONECT C6 3 CA5 O5 N6 CONECT O5 1 C6 CONECT CB5 4 CA5 CG5 HB23 HB33 CONECT CG5 4 CB5 CD4 HG29 HG33 CONECT CD4 4 CG5 NE HD22 HD32 CONECT NE 3 CD4 CZ HE CONECT CZ 3 NE NH1 NH2 CONECT NH1 3 CZ HH11 HH12 CONECT NH2 3 CZ HH21 HH22 CONECT N6 3 C6 HN1 HN2 CONECT H1 1 CH3 CONECT H2 1 CH3 CONECT H3 1 CH3 CONECT H 1 N CONECT HA 1 CA CONECT HB 1 CB CONECT HG1 1 OG1 CONECT HG21 1 CG2 CONECT HG22 1 CG2 CONECT HG23 1 CG2 CONECT H4 1 N1 CONECT HA1 1 CA1 CONECT HB1 1 CB1 CONECT HG12 1 CG1 CONECT HG13 1 CG1 CONECT HG24 1 CG21 CONECT HG25 1 CG21 CONECT HG26 1 CG21 CONECT HD11 1 CD1 CONECT HD12 1 CD1 CONECT HD13 1 CD1 CONECT H5 1 N2 CONECT HA2 1 CA2 CONECT HC31 1 C3 CONECT HC32 1 C3 CONECT HB2 1 CB2 CONECT HB3 1 CB2 CONECT HG2 1 CG CONECT HG3 1 CG CONECT HD2 1 CD CONECT HD3 1 CD CONECT HE1 1 CE CONECT HE2 1 CE CONECT HE3 1 CE CONECT H6 1 N3 CONECT HA3 1 CA3 CONECT HB21 1 CB3 CONECT HB31 1 CB3 CONECT HG27 1 CG3 CONECT HG31 1 CG3 CONECT HD21 1 CD2 CONECT HD31 1 CD2 CONECT HE11 1 CE1 CONECT HE21 1 CE1 CONECT HE31 1 CE1 CONECT H7 1 N4 CONECT HA4 1 CA4 CONECT HB22 1 CB4 CONECT HB32 1 CB4 CONECT HG28 1 CG4 CONECT HG32 1 CG4 CONECT HE22 1 NE2 CONECT HE23 1 NE2 CONECT H8 1 N5 CONECT HA5 1 CA5 CONECT HB23 1 CB5 CONECT HB33 1 CB5 CONECT HG29 1 CG5 CONECT HG33 1 CG5 CONECT HD22 1 CD4 CONECT HD32 1 CD4 CONECT HE 1 NE CONECT HH11 1 NH1 CONECT HH12 1 NH1 CONECT HH21 1 NH2 CONECT HH22 1 NH2 CONECT HN1 1 N6 CONECT HN2 1 N6 END HET 2NC 122 HETSYN 2NC p2/NC HETNAM 2NC N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl HETNAM 2 2NC }-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L HETNAM 3 2NC -ornithinamide FORMUL 2NC C35 H68 N11 O8 1+