RESIDUE 45R 50 CONECT C1 4 O2 H1 H1A H1B CONECT O2 2 C1 C3 CONECT C3 3 O2 C4 C8 CONECT C4 3 C3 C5 H4 CONECT C5 3 C4 C6 C23 CONECT C6 3 C5 C7 H6 CONECT C7 3 C6 C8 H7 CONECT C8 3 C3 C7 C9 CONECT C9 3 C8 O10 N11 CONECT O10 1 C9 CONECT N11 3 C9 C12 HN11 CONECT C12 3 N11 C13 C22 CONECT C13 3 C12 C14 H13 CONECT C14 3 C13 C15 H14 CONECT C15 3 C14 C16 C21 CONECT C16 4 C15 C17 H16 H16A CONECT C17 4 C16 N18 H17 H17A CONECT N18 4 C17 C19 HN18 HN1A CONECT C19 4 N18 C20 H19 H19A CONECT C20 4 C19 C21 H20 H20A CONECT C21 3 C15 C20 C22 CONECT C22 3 C12 C21 H22 CONECT C23 3 C5 C24 C27 CONECT C24 3 C23 N25 H24 CONECT N25 2 C24 N26 CONECT N26 3 N25 C27 HN26 CONECT C27 3 C23 N26 H27 CONECT HN18 1 N18 CONECT HN1A 1 N18 CONECT HN26 1 N26 CONECT H1 1 C1 CONECT H1A 1 C1 CONECT H1B 1 C1 CONECT H4 1 C4 CONECT H6 1 C6 CONECT H7 1 C7 CONECT HN11 1 N11 CONECT H13 1 C13 CONECT H14 1 C14 CONECT H16 1 C16 CONECT H16A 1 C16 CONECT H17 1 C17 CONECT H17A 1 C17 CONECT H19 1 C19 CONECT H19A 1 C19 CONECT H20 1 C20 CONECT H20A 1 C20 CONECT H22 1 C22 CONECT H24 1 C24 CONECT H27 1 C27 END HET 45R 50 HETNAM 45R 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5 HETNAM 2 45R -tetrahydro-1H-3-benzazepinium FORMUL 45R C21 H23 N4 O2 1+