RESIDUE JM4 40 CONECT C 3 CA OA1 OA2 CONECT N 3 CA HN HNA CONECT C1 3 C2 NE NH CONECT C2 4 C1 C3 H2 H2A CONECT C3 4 C2 S4 H3 H3A CONECT S4 2 C3 C5 CONECT C5 4 S4 C6 C7 H5 CONECT C6 4 C5 H6 H6A H6B CONECT C7 4 C5 H7 H7A H7B CONECT CA 4 C N CB HA CONECT CB 4 CA CG HB HBA CONECT CD 4 NE CG HD HDA CONECT NE 3 C1 CD HNE CONECT CG 4 CB CD HG HGA CONECT NH 2 C1 HNH CONECT OA1 2 C HOA1 CONECT OA2 1 C CONECT HN 1 N CONECT HNA 1 N CONECT H2 1 C2 CONECT H2A 1 C2 CONECT H3 1 C3 CONECT H3A 1 C3 CONECT H5 1 C5 CONECT H6 1 C6 CONECT H6A 1 C6 CONECT H6B 1 C6 CONECT H7 1 C7 CONECT H7A 1 C7 CONECT H7B 1 C7 CONECT HA 1 CA CONECT HB 1 CB CONECT HBA 1 CB CONECT HD 1 CD CONECT HDA 1 CD CONECT HNE 1 NE CONECT HG 1 CG CONECT HGA 1 CG CONECT HNH 1 NH CONECT HOA1 1 OA1 END HET JM4 40 HETNAM JM4 N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornit HETNAM 2 JM4 hine FORMUL JM4 C11 H23 N3 O2 S1