RESIDUE 4BN 138 CONECT O1 1 C3 CONECT C3 3 O1 C2 C4 CONECT C2 4 C3 C1 H1 H2 CONECT C4 3 C3 C5 H3 CONECT C5 3 C4 C10 C6 CONECT C10 4 C5 C1 C19 C9 CONECT C1 4 C2 C10 H4 H5 CONECT C19 4 C10 H6 H7 H8 CONECT C9 4 C10 C11 C8 H9 CONECT C11 4 C9 C12 H10 H11 CONECT C12 4 C11 C13 H12 H13 CONECT C13 4 C12 C18 C17 C14 CONECT C18 4 C13 H14 H15 H16 CONECT C17 4 C13 C20 C16 H17 CONECT C20 4 C17 C21 C1' H18 CONECT C21 4 C20 H19 H20 H21 CONECT C16 4 C17 C15 H22 H23 CONECT C15 4 C16 C14 H24 H25 CONECT C14 4 C13 C15 C8 H26 CONECT C8 4 C9 C14 C7 H27 CONECT C7 4 C8 C6 H28 H29 CONECT C6 4 C5 C7 H30 H31 CONECT O1' 1 C1' CONECT C1' 3 C20 O1' S1P CONECT S1P 2 C1' C2P CONECT C2P 4 S1P C3P H32 H33 CONECT C3P 4 C2P N4P H34 H35 CONECT N4P 3 C3P C5P H36 CONECT C5P 3 N4P O5P C6P CONECT O5P 1 C5P CONECT C6P 4 C5P C7P H37 H38 CONECT C7P 4 C6P N8P H39 H40 CONECT N8P 3 C7P C9P H41 CONECT C9P 3 N8P O9P CAP CONECT O9P 1 C9P CONECT CAP 4 C9P OAP CBP H42 CONECT OAP 2 CAP H43 CONECT CBP 4 CAP CDP CEP CCP CONECT CDP 4 CBP H44 H45 H46 CONECT CEP 4 CBP H47 H48 H49 CONECT CCP 4 CBP O6A H50 H51 CONECT O6A 2 CCP P2A CONECT P2A 4 O6A O4A O5A O3A CONECT O4A 2 P2A H52 CONECT O5A 1 P2A CONECT O3A 2 P2A P1A CONECT P1A 4 O3A O1A O2A O5B CONECT O1A 2 P1A H53 CONECT O2A 1 P1A CONECT O5B 2 P1A C5B CONECT C5B 4 O5B C4B H54 H55 CONECT C4B 4 C5B C3B O4B H56 CONECT C3B 4 C4B O3B C2B H57 CONECT O3B 2 C3B P3B CONECT P3B 4 O3B O9A O8A O7A CONECT O9A 1 P3B CONECT O8A 2 P3B H58 CONECT O7A 2 P3B H59 CONECT C2B 4 C3B O2B C1B H60 CONECT O2B 2 C2B H61 CONECT O4B 2 C4B C1B CONECT C1B 4 C2B O4B N9A H62 CONECT N9A 3 C1B C4A C8A CONECT C4A 3 N9A N3A C5A CONECT N3A 2 C4A C2A CONECT C2A 3 N3A N1A H63 CONECT C8A 3 N9A N7A H64 CONECT N7A 2 C8A C5A CONECT C5A 3 C4A N7A C6A CONECT C6A 3 C5A N1A N6A CONECT N1A 2 C2A C6A CONECT N6A 3 C6A H65 H66 CONECT H1 1 C2 CONECT H2 1 C2 CONECT H3 1 C4 CONECT H4 1 C1 CONECT H5 1 C1 CONECT H6 1 C19 CONECT H7 1 C19 CONECT H8 1 C19 CONECT H9 1 C9 CONECT H10 1 C11 CONECT H11 1 C11 CONECT H12 1 C12 CONECT H13 1 C12 CONECT H14 1 C18 CONECT H15 1 C18 CONECT H16 1 C18 CONECT H17 1 C17 CONECT H18 1 C20 CONECT H19 1 C21 CONECT H20 1 C21 CONECT H21 1 C21 CONECT H22 1 C16 CONECT H23 1 C16 CONECT H24 1 C15 CONECT H25 1 C15 CONECT H26 1 C14 CONECT H27 1 C8 CONECT H28 1 C7 CONECT H29 1 C7 CONECT H30 1 C6 CONECT H31 1 C6 CONECT H32 1 C2P CONECT H33 1 C2P CONECT H34 1 C3P CONECT H35 1 C3P CONECT H36 1 N4P CONECT H37 1 C6P CONECT H38 1 C6P CONECT H39 1 C7P CONECT H40 1 C7P CONECT H41 1 N8P CONECT H42 1 CAP CONECT H43 1 OAP CONECT H44 1 CDP CONECT H45 1 CDP CONECT H46 1 CDP CONECT H47 1 CEP CONECT H48 1 CEP CONECT H49 1 CEP CONECT H50 1 CCP CONECT H51 1 CCP CONECT H52 1 O4A CONECT H53 1 O1A CONECT H54 1 C5B CONECT H55 1 C5B CONECT H56 1 C4B CONECT H57 1 C3B CONECT H58 1 O8A CONECT H59 1 O7A CONECT H60 1 C2B CONECT H61 1 O2B CONECT H62 1 C1B CONECT H63 1 C2A CONECT H64 1 C8A CONECT H65 1 N6A CONECT H66 1 N6A END HET 4BN 138 HETNAM 4BN 3-oxo-4-pregnene-20-carboxyl-Coenzyme A FORMUL 4BN C43 H66 N7 O18 P3 S1