RESIDUE 1BF 50 CONECT CL1 1 C2 CONECT C2 3 CL1 C3 C7 CONECT C3 3 C2 C4 H1 CONECT C4 3 C3 C5 H2 CONECT C7 3 C2 C6 H3 CONECT C6 3 C7 C5 C11 CONECT C5 3 C4 C6 C8 CONECT C11 4 C6 C10 H4 H5 CONECT C10 4 C11 C28 C29 N9 CONECT C28 4 C10 H6 H7 H8 CONECT C29 4 C10 H9 H10 H11 CONECT N9 2 C10 C8 CONECT C8 3 C5 N9 N12 CONECT N12 3 C8 C13 H12 CONECT C13 4 N12 C25 C14 H13 CONECT C25 3 C13 O26 O27 CONECT O26 2 C25 H14 CONECT O27 1 C25 CONECT C14 4 C13 C15 H15 H16 CONECT C15 3 C14 C16 C19 CONECT C16 3 C15 S17 H17 CONECT S17 2 C16 C18 CONECT C18 3 S17 C19 H18 CONECT C19 3 C15 C18 C20 CONECT C20 3 C19 C21 C24 CONECT C21 3 C20 N22 H19 CONECT N22 3 C21 N23 H20 CONECT N23 2 N22 C24 CONECT C24 3 C20 N23 H21 CONECT H1 1 C3 CONECT H2 1 C4 CONECT H3 1 C7 CONECT H4 1 C11 CONECT H5 1 C11 CONECT H6 1 C28 CONECT H7 1 C28 CONECT H8 1 C28 CONECT H9 1 C29 CONECT H10 1 C29 CONECT H11 1 C29 CONECT H12 1 N12 CONECT H13 1 C13 CONECT H14 1 O26 CONECT H15 1 C14 CONECT H16 1 C14 CONECT H17 1 C16 CONECT H18 1 C18 CONECT H19 1 C21 CONECT H20 1 N22 CONECT H21 1 C24 END HET 1BF 50 HETNAM 1BF N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3 HETNAM 2 1BF -[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine FORMUL 1BF C21 H21 Cl1 N4 O2 S1