RESIDUE 3AI 70 CONECT O 1 C1 CONECT C1 3 O CA1 N2 CONECT N1 3 CA1 C HN1 CONECT SD 2 CE CG1 CONECT CE 4 SD HE HEA HEB CONECT CA1 4 C1 N1 CB1 HA1 CONECT CB1 4 CA1 CG1 HB1 HB1A CONECT CG1 4 SD CB1 HG1 HG1A CONECT C 4 N1 CA H HA CONECT N 3 CA HN HNA CONECT CA 4 C N CB HAA CONECT CB 4 CA CG HB HBA CONECT CG 3 CB CD1 CD2 CONECT CZ 3 CE1 CE2 HZ CONECT CD1 3 CG CE1 HD1 CONECT CD2 3 CG CE2 HD2 CONECT CE1 3 CZ CD1 HE1 CONECT CE2 3 CZ CD2 HE2 CONECT N2 3 C1 CA2 HN2 CONECT CA2 4 N2 C2 CB2 HA2 CONECT C2 3 CA2 O1 N3 CONECT O1 1 C2 CONECT CB2 4 CA2 HB2 HB2A HB2B CONECT N3 3 C2 CA3 HN3 CONECT CA3 4 N3 C3 CB3 HA3 CONECT C3 3 CA3 O2 OXT CONECT O2 1 C3 CONECT CB3 4 CA3 CG2 CG3 HB3 CONECT CG2 4 CB3 CD3 HG2 HG2A CONECT CG3 4 CB3 HG3 HG3A HG3B CONECT CD3 4 CG2 HD3 HD3A HD3B CONECT OXT 2 C3 H38 CONECT HN1 1 N1 CONECT HE 1 CE CONECT HEA 1 CE CONECT HEB 1 CE CONECT HA1 1 CA1 CONECT HB1 1 CB1 CONECT HB1A 1 CB1 CONECT HG1 1 CG1 CONECT HG1A 1 CG1 CONECT H 1 C CONECT HA 1 C CONECT HN 1 N CONECT HNA 1 N CONECT HAA 1 CA CONECT HB 1 CB CONECT HBA 1 CB CONECT HZ 1 CZ CONECT HD1 1 CD1 CONECT HD2 1 CD2 CONECT HE1 1 CE1 CONECT HE2 1 CE2 CONECT HN2 1 N2 CONECT HA2 1 CA2 CONECT HB2 1 CB2 CONECT HB2A 1 CB2 CONECT HB2B 1 CB2 CONECT HN3 1 N3 CONECT HA3 1 CA3 CONECT HB3 1 CB3 CONECT HG2 1 CG2 CONECT HG2A 1 CG2 CONECT HG3 1 CG3 CONECT HG3A 1 CG3 CONECT HG3B 1 CG3 CONECT HD3 1 CD3 CONECT HD3A 1 CD3 CONECT HD3B 1 CD3 CONECT H38 1 OXT END HET 3AI 70 HETNAM 3AI N-[(2S)-2-amino-3-phenylpropyl]-D-methionyl-L-alanyl-L- HETNAM 2 3AI isoleucine FORMUL 3AI C23 H38 N4 O4 S1