RESIDUE 1XE 86 CONECT N1A 2 C2A C6A CONECT C2A 3 N1A N3A H1 CONECT N3A 2 C2A C4A CONECT C4A 3 N3A C5A N9A CONECT C5A 3 C4A C6A N7A CONECT C6A 3 N1A C5A N6A CONECT N6A 3 C6A H2 H3 CONECT N7A 2 C5A C8A CONECT C8A 3 N7A N9A H4 CONECT N9A 3 C4A C8A C1B CONECT C1B 3 N9A C2B O4B CONECT C2B 3 C1B O2B C3B CONECT O2B 2 C2B H5 CONECT C3B 3 C2B O3B C4B CONECT O3B 2 C3B P3B CONECT P3B 4 O3B O7A O8A O9A CONECT O7A 2 P3B H6 CONECT O8A 2 P3B H7 CONECT O9A 1 P3B CONECT C4B 3 C3B O4B C5B CONECT O4B 2 C1B C4B CONECT C5B 4 C4B O5B H8 H9 CONECT O5B 2 C5B P1A CONECT P1A 4 O5B O1A O2A O3A CONECT O1A 2 P1A H10 CONECT O2A 1 P1A CONECT O3A 2 P1A P2A CONECT P2A 4 O3A O4A O5A O6A CONECT O4A 1 P2A CONECT O5A 2 P2A H11 CONECT O6A 2 P2A CCP CONECT CBP 4 CCP CDP CEP CAP CONECT CCP 4 O6A CBP H12 H13 CONECT CDP 4 CBP H14 H15 H16 CONECT CEP 4 CBP H17 H18 H19 CONECT CAP 4 CBP OAP C9P H20 CONECT OAP 2 CAP H21 CONECT C9P 3 CAP O9P N8P CONECT O9P 1 C9P CONECT N8P 3 C9P C7P H22 CONECT C7P 4 N8P C6P H23 H24 CONECT C6P 4 C7P C5P H25 H26 CONECT C5P 3 C6P O5P N4P CONECT O5P 1 C5P CONECT N4P 3 C5P C3P H27 CONECT C3P 3 N4P C2P H28 CONECT C2P 3 C3P S1P H29 CONECT S1P 2 C2P C1 CONECT C1 4 S1P C2 H30 H31 CONECT C2 4 C1 O21 O1 H34 CONECT O21 2 C2 H32 CONECT O1 2 C2 H33 CONECT H1 1 C2A CONECT H2 1 N6A CONECT H3 1 N6A CONECT H4 1 C8A CONECT H5 1 O2B CONECT H6 1 O7A CONECT H7 1 O8A CONECT H8 1 C5B CONECT H9 1 C5B CONECT H10 1 O1A CONECT H11 1 O5A CONECT H12 1 CCP CONECT H13 1 CCP CONECT H14 1 CDP CONECT H15 1 CDP CONECT H16 1 CDP CONECT H17 1 CEP CONECT H18 1 CEP CONECT H19 1 CEP CONECT H20 1 CAP CONECT H21 1 OAP CONECT H22 1 N8P CONECT H23 1 C7P CONECT H24 1 C7P CONECT H25 1 C6P CONECT H26 1 C6P CONECT H27 1 N4P CONECT H28 1 C3P CONECT H29 1 C2P CONECT H30 1 C1 CONECT H31 1 C1 CONECT H32 1 O21 CONECT H33 1 O1 CONECT H34 1 C2 END HET 1XE 86 HETNAM 1XE [5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)fu HETNAM 2 1XE ran-2-yl]methyl (3R)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl HETNAM 3 1XE )sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2 HETNAM 4 1XE ,2-dimethyl-4-oxobutyl dihydrogen diphosphate FORMUL 1XE C23 H34 N7 O18 P3 S1