RESIDUE 15U 71 CONECT S 4 O1 O2 C8 N1 CONECT O1 1 S CONECT O2 1 S CONECT C1 4 C2 N H1 H2 CONECT C2 4 C1 C3 C10 H3 CONECT C3 4 C2 C4 H4 H5 CONECT C4 3 C3 C5 C9 CONECT C5 3 C4 C6 H6 CONECT C6 3 C5 C7 H7 CONECT C7 3 C6 C8 H8 CONECT C8 3 S C7 C9 CONECT C9 3 C4 C8 N CONECT C10 4 C2 H9 H10 H11 CONECT N 3 C1 C9 H12 CONECT N1 3 S CA H13 CONECT CA 4 N1 C CB H14 CONECT C 3 CA O N2 CONECT O 1 C CONECT CB 4 CA CG H15 H16 CONECT CG 4 CB CD H17 H18 CONECT CD 4 CG NE H19 H20 CONECT NE 3 CD CZ H21 CONECT CZ 3 NE NH1 NH2 CONECT NH1 3 CZ H22 H23 CONECT NH2 2 CZ H24 CONECT N2 3 C C11 C51 CONECT C11 4 N2 C21 C61 H26 CONECT C21 4 C11 C31 H27 H28 CONECT C31 4 C21 C41 C71 H29 CONECT C41 4 C31 C51 H30 H31 CONECT C51 4 N2 C41 H32 H33 CONECT C61 3 C11 O11 O21 CONECT O11 1 C61 CONECT O21 2 C61 H34 CONECT C71 4 C31 H35 H36 H37 CONECT H1 1 C1 CONECT H2 1 C1 CONECT H3 1 C2 CONECT H4 1 C3 CONECT H5 1 C3 CONECT H6 1 C5 CONECT H7 1 C6 CONECT H8 1 C7 CONECT H9 1 C10 CONECT H10 1 C10 CONECT H11 1 C10 CONECT H12 1 N CONECT H13 1 N1 CONECT H14 1 CA CONECT H15 1 CB CONECT H16 1 CB CONECT H17 1 CG CONECT H18 1 CG CONECT H19 1 CD CONECT H20 1 CD CONECT H21 1 NE CONECT H22 1 NH1 CONECT H23 1 NH1 CONECT H24 1 NH2 CONECT H26 1 C11 CONECT H27 1 C21 CONECT H28 1 C21 CONECT H29 1 C31 CONECT H30 1 C41 CONECT H31 1 C41 CONECT H32 1 C51 CONECT H33 1 C51 CONECT H34 1 O21 CONECT H35 1 C71 CONECT H36 1 C71 CONECT H37 1 C71 END HET 15U 71 HETSYN 15U S-argatroban HETNAM 15U (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrah HETNAM 2 15U ydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carb HETNAM 3 15U oxylic acid FORMUL 15U C23 H36 N6 O5 S1