RESIDUE 2SO 69 CONECT C 3 CA O OXT CONECT CA 4 C CB N HA CONECT CB 4 CA C12 HB2 HB3 CONECT C12 3 CB C13 N16 CONECT C13 3 C12 N14 H13 CONECT N14 3 C13 C15 CCA CONECT C15 3 N14 N16 H15 CONECT N16 3 C12 C15 C17 CONECT C17 4 N16 C18 H17 H17A CONECT C18 4 C17 C19 H18 H18A CONECT C19 4 C18 C20 H19 H19A CONECT C20 4 C19 C21 H20 H20A CONECT C21 4 C20 C22 H21 H21A CONECT C22 4 C21 C23 H22 H22A CONECT C23 4 C22 C24 H23 H23A CONECT C24 4 C23 C25 H24 H24A CONECT C25 3 C24 C26 C30 CONECT C26 3 C25 C27 H26 CONECT C27 3 C26 C28 H27 CONECT C28 3 C27 C29 H28 CONECT C29 3 C28 C30 H29 CONECT C30 3 C25 C29 H30 CONECT N 3 CA H H2 CONECT O 1 C CONECT CCA 4 N14 C32 HCA HCAA CONECT OXT 2 C HXT CONECT HA 1 CA CONECT HB2 1 CB CONECT HB3 1 CB CONECT H13 1 C13 CONECT H15 1 C15 CONECT H17 1 C17 CONECT H17A 1 C17 CONECT H18 1 C18 CONECT H18A 1 C18 CONECT H19 1 C19 CONECT H19A 1 C19 CONECT H20 1 C20 CONECT H20A 1 C20 CONECT H21 1 C21 CONECT H21A 1 C21 CONECT H22 1 C22 CONECT H22A 1 C22 CONECT H23 1 C23 CONECT H23A 1 C23 CONECT H24 1 C24 CONECT H24A 1 C24 CONECT H26 1 C26 CONECT H27 1 C27 CONECT H28 1 C28 CONECT H29 1 C29 CONECT H30 1 C30 CONECT H 1 N CONECT H2 1 N CONECT C32 4 CCA C33 H32 H33 CONECT C33 4 C32 C34 O4 H34 CONECT C34 4 C33 O3 H35 H36 CONECT O3 2 C34 H37 CONECT O4 2 C33 H38 CONECT HCA 1 CCA CONECT HCAA 1 CCA CONECT HXT 1 OXT CONECT H32 1 C32 CONECT H33 1 C32 CONECT H34 1 C33 CONECT H35 1 C34 CONECT H36 1 C34 CONECT H37 1 O3 CONECT H38 1 O4 END HET 2SO 69 HETNAM 2SO 3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imi HETNAM 2 2SO dazol-3-ium-5-yl}-L-alanine FORMUL 2SO C24 H38 N3 O4