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534

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26C25sing1.53Å1.52Å
C25C27sing1.53Å1.53Å
C25C12sing1.51Å1.55Å
C12C13sing1.38Å1.39ÅAromatic
C12C11doub1.38Å1.40ÅAromatic
C13C14doub1.38Å1.40ÅAromatic
C14C5sing1.39Å1.39ÅAromatic
C11C10sing1.38Å1.40ÅAromatic
C10C5doub1.39Å1.39ÅAromatic
C5C3sing1.48Å1.38Å
C3N1doub1.33Å1.33ÅAromatic
C3C4sing1.40Å1.39ÅAromatic
N1C2sing1.32Å1.32ÅAromatic
C2C1doub1.38Å1.38ÅAromatic
C1N2sing1.32Å1.32ÅAromatic
N2C4doub1.32Å1.35ÅAromatic
C4N3sing1.39Å1.43Å
N3C9sing1.47Å1.49Å
N3C6sing1.47Å1.50Å
C9C8sing1.53Å1.53Å
C8N4sing1.47Å1.48Å
C6C7sing1.53Å1.51Å
C7N4sing1.47Å1.47Å
N4S1sing1.66Å1.66Å
S1O1doub1.42Å1.50Å
S1O2doub1.42Å1.51Å
S1C15sing1.76Å1.74Å
C15C20sing1.38Å1.41ÅAromatic
C15C16doub1.38Å1.40ÅAromatic
C20C19doub1.39Å1.40ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C17C18doub1.38Å1.41ÅAromatic
C18C19sing1.39Å1.40ÅAromatic
C19C21sing1.48Å1.40Å
C21C22sing1.40Å1.39ÅAromatic
C21C24doub1.40Å1.39ÅAromatic
C22N5doub1.32Å1.33ÅAromatic
N5C23sing1.32Å1.35ÅAromatic
C23N7sing1.38Å1.33Å
C23N6doub1.32Å1.35ÅAromatic
N6C24sing1.32Å1.32ÅAromatic
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
C13H13sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
C9H91Csing1.09Å1.10Å
C9H92Csing1.09Å1.10Å
C6H61Csing1.09Å1.10Å
C6H62Csing1.09Å1.10Å
C8H81Csing1.09Å1.10Å
C8H82Csing1.09Å1.10Å
C7H71Csing1.09Å1.10Å
C7H72Csing1.09Å1.10Å
C20H20sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
N7H71Nsing0.97Å1.00Å
N7H72Nsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C26C25C27109.6°109.5°
C26C25C12109.0°109.5°
C25C26H261109.5°109.5°
C25C26H262109.5°109.4°
C25C26H263109.5°109.4°
C26C25H25109.1°109.5°
C27C25C12111.3°109.5°
C27C25H25109.0°109.5°
C25C27H271109.5°109.4°
C25C27H272109.5°109.5°
C25C27H273109.5°109.5°
C25C12C13121.1°119.9°
C25C12C11121.4°119.8°
C12C25H25108.8°109.5°
C13C12C11117.5°120.3°
C12C13C14121.2°120.2°
C12C13H13119.4°119.9°
C12C11C10121.4°120.1°
C12C11H11119.3°120.0°
C13C14C5120.8°119.8°
C14C13H13119.4°119.9°
C13C14H14119.6°120.1°
C14C5C10118.9°119.7°
C14C5C3118.8°120.1°
C5C14H14119.6°120.1°
C11C10C5120.2°119.9°
C10C11H11119.3°119.9°
C11C10H10119.9°120.1°
C10C5C3122.3°120.2°
C5C10H10119.9°120.0°
C5C3N1116.3°120.2°
C5C3C4124.5°120.2°
N1C3C4119.2°119.7°
C3N1C2122.3°120.0°
C3C4N2117.4°119.7°
C3C4N3123.3°120.1°
N1C2C1119.8°120.3°
N1C2H2120.1°119.8°
C2C1N2118.3°120.4°
C1C2H2120.1°119.9°
C2C1H1120.8°119.8°
C1N2C4123.0°120.0°
N2C1H1120.9°119.9°
N2C4N3119.2°120.2°
C4N3C9121.6°111.0°
C4N3C6116.3°111.0°
C9N3C6122.1°111.3°
N3C9C8113.9°109.3°
N3C9H91C108.3°109.5°
N3C9H92C108.4°109.5°
N3C6C7112.1°109.3°
N3C6H61C108.8°109.5°
N3C6H62C108.8°109.5°
C9C8N4109.2°108.5°
C8C9H91C108.4°109.5°
C8C9H92C108.4°109.5°
C9C8H81C109.6°109.7°
C9C8H82C109.6°109.6°
C8N4C7110.7°118.2°
C8N4S1113.9°120.9°
N4C8H81C109.5°109.6°
N4C8H82C109.6°109.6°
C6C7N4106.7°108.5°
C7C6H61C108.8°109.5°
C7C6H62C108.8°109.5°
C6C7H71C110.2°109.6°
C6C7H72C110.2°109.6°
C7N4S1112.1°120.9°
N4C7H71C110.2°109.6°
N4C7H72C110.2°109.7°
N4S1O1112.0°106.4°
N4S1O2110.8°106.4°
N4S1C1599.9°107.2°
O1S1O2110.8°123.2°
O1S1C15110.3°106.4°
O2S1C15112.6°106.4°
S1C15C20119.5°119.9°
S1C15C16119.4°119.9°
C20C15C16121.0°120.1°
C15C20C19120.4°119.9°
C15C20H20119.8°120.0°
C15C16C17118.3°120.3°
C15C16H16120.8°119.9°
C20C19C18118.7°119.8°
C20C19C21121.0°120.1°
C19C20H20119.8°120.1°
C16C17C18121.2°120.1°
C17C16H16120.8°119.8°
C16C17H17119.4°120.0°
C17C18C19120.3°119.9°
C18C17H17119.4°119.9°
C17C18H18119.8°120.0°
C18C19C21120.3°120.1°
C19C18H18119.8°120.1°
C19C21C22121.5°120.9°
C19C21C24121.1°120.9°
C22C21C24117.3°118.3°
C21C22N5120.8°119.1°
C21C22H22119.6°120.5°
C21C24N6120.2°119.1°
C21C24H24119.9°120.4°
C22N5C23120.2°120.9°
N5C22H22119.6°120.5°
N5C23N7119.9°119.1°
N5C23N6120.5°121.9°
N7C23N6119.6°119.0°
C23N7H71N109.5°119.9°
C23N7H72N109.5°120.0°
C23N6C24121.0°120.8°
N6C24H24119.9°120.5°
H261C26H262109.5°109.5°
H261C26H263109.5°109.5°
H262C26H263109.5°109.4°
H271C27H272109.5°109.4°
H271C27H273109.5°109.5°
H272C27H273109.4°109.5°
H91CC9H92C109.5°109.5°
H61CC6H62C109.5°109.5°
H81CC8H82C109.4°109.8°
H71CC7H72C109.4°109.8°
H71NN7H72N109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C26C25C27C12120.7°120.0°
C26C25C27H25119.4°120.0°
C26C25C12H25118.9°120.0°
C26C25C12C13112.0°120.0°
C26C25C12C1167.6°60.3°
C25C26H261H262120.0°120.0°
C25C26H261H263120.0°120.0°
C25C26H262H263120.0°119.9°
C26C25C27H271180.0°60.0°
C26C25C27H27260.0°180.0°
C26C25C27H27360.0°60.0°
C27C25C12H25120.1°120.0°
C27C25C12C13126.9°120.0°
C27C25C12C1153.5°59.7°
C27C25C26H261180.0°60.0°
C27C25C26H26260.0°60.0°
C27C25C26H26360.0°179.9°
C25C27H271H272120.0°120.0°
C25C27H271H273120.0°120.1°
C25C27H272H273120.0°120.0°
C25C12C13C11179.6°179.7°
C25C12C13C14179.8°180.0°
C25C12C11C10179.6°180.0°
C12C25C26H26157.9°60.0°
C12C25C26H26262.1°180.0°
C12C25C26H263177.9°60.0°
C12C25C27H27159.3°60.0°
C12C25C27H272179.3°59.9°
C12C25C27H27360.7°180.0°
C25C12C13H130.2°0.0°
C25C12C11H110.4°0.0°
C12C13C14H13180.0°180.0°
C12C13C14C50.9°0.0°
C13C12C11C100.1°0.3°
C13C12C25H256.8°0.0°
C13C12C11H11180.0°179.7°
C12C13C14H14179.1°180.0°
C11C12C13C140.6°0.3°
C12C11C10H11180.0°180.0°
C12C11C10C50.3°0.1°
C11C12C25H25173.6°179.7°
C11C12C13H13179.5°179.7°
C12C11C10H10179.7°180.0°
C13C14C5H14180.0°180.0°
C13C14C5C100.7°0.3°
C13C14C5C3179.4°179.9°
C14C5C10C110.1°0.2°
C14C5C10C3178.7°179.8°
C14C5C3N172.6°42.4°
C14C5C3C4106.4°137.3°
C5C14C13H13179.1°180.0°
C14C5C10H10180.0°179.7°
C11C10C5H10180.0°179.9°
C11C10C5C3178.7°180.0°
C10C5C3N1106.1°137.8°
C10C5C3C474.9°42.5°
C5C10C11H11179.7°180.0°
C10C5C14H14179.3°179.8°
C5C3N1C4179.1°179.7°
C5C3N1C2179.3°180.0°
C5C3C4N2179.7°179.7°
C5C3C4N32.4°0.1°
C3C5C14H140.6°0.0°
C3C5C10H101.3°0.1°
C3N1C2C11.0°0.1°
N1C3C4N21.3°0.6°
N1C3C4N3178.6°179.8°
C3N1C2H2179.0°180.0°
C4C3N1C20.3°0.3°
C3C4N2C11.1°0.6°
C3C4N2N3177.4°179.6°
C3C4N3C943.4°112.7°
C3C4N3C6135.3°123.0°
N1C2C1H2180.0°180.0°
N1C2C1N21.2°0.1°
N1C2C1H1178.8°180.0°
C2C1N2H1180.0°179.9°
C2C1N2C40.1°0.3°
C1N2C4N3178.5°179.8°
N2C1C2H2178.8°180.0°
N2C4N3C9139.4°67.6°
N2C4N3C641.9°56.6°
C4N2C1H1179.9°179.7°
C4N3C9C6178.6°124.1°
C4N3C9C8162.1°172.8°
C4N3C6C7154.8°172.8°
C4N3C9H91C77.2°67.3°
C4N3C9H92C41.5°52.8°
C4N3C6H61C34.4°52.9°
C4N3C6H62C84.8°67.3°
N3C9C8H91C120.7°119.9°
N3C9C8H92C120.7°120.0°
N3C9C8N436.0°53.8°
C9N3C6C726.5°63.1°
N3C9H91CH92C118.0°120.1°
C9N3C6H61C146.9°177.0°
C9N3C6H62C93.9°56.8°
N3C9C8H81C156.0°173.5°
N3C9C8H82C84.0°65.9°
C6N3C9C819.3°63.2°
N3C6C7H61C120.4°120.0°
N3C6C7H62C120.4°120.0°
N3C6C7N450.0°53.8°
C6N3C9H91C101.4°56.8°
C6N3C9H92C139.9°176.9°
N3C6H61CH62C118.8°120.1°
N3C6C7H71C69.6°65.9°
N3C6C7H72C169.6°173.6°
C9C8N4H81C120.0°119.7°
C9C8N4H82C120.0°119.7°
C9C8N4C765.5°51.2°
C9C8N4S1167.1°128.8°
C8C9H91CH92C118.0°120.1°
C9C8H81CH82C120.1°120.5°
C8N4C7C673.1°51.2°
C8N4C7S1128.4°179.9°
C8N4S1O17.7°156.5°
C8N4S1O2116.6°23.5°
C8N4S1C15124.5°90.0°
N4C8C9H91C84.6°66.1°
N4C8C9H92C156.7°173.8°
N4C8H81CH82C120.1°120.4°
C8N4C7H71C46.4°68.5°
C8N4C7H72C167.3°170.9°
C6C7N4H71C119.6°119.7°
C6C7N4H72C119.6°119.7°
C6C7N4S1158.4°128.8°
C7C6H61CH62C118.8°120.0°
C6C7H71CH72C121.3°120.5°
C7N4S1O1134.4°23.5°
C7N4S1O210.1°156.4°
C7N4S1C15108.8°90.0°
N4C7C6H61C170.4°173.8°
N4C7C6H62C70.3°66.2°
C7N4C8H81C174.5°170.9°
C7N4C8H82C54.5°68.6°
N4C7H71CH72C121.3°120.5°
N4S1O1O2124.3°123.0°
N4S1O1C15110.3°114.1°
N4S1O2C15110.9°114.1°
N4S1C15C2073.2°90.0°
N4S1C15C16104.0°90.3°
S1N4C8H81C47.1°9.1°
S1N4C8H82C73.0°111.5°
S1N4C7H71C82.0°111.5°
S1N4C7H72C38.9°9.1°
O1S1O2C15124.1°122.9°
O1S1C15C2044.9°23.5°
O1S1C15C16137.9°156.2°
O2S1C15C20169.2°156.4°
O2S1C15C1613.6°23.3°
S1C15C20C16177.1°179.8°
S1C15C20C19178.7°180.0°
S1C15C16C17179.1°180.0°
S1C15C20H201.3°0.0°
S1C15C16H160.9°0.1°
C15C20C19H20180.0°180.0°
C20C15C16C171.9°0.2°
C15C20C19C180.4°0.0°
C15C20C19C21179.1°180.0°
C20C15C16H16178.1°179.7°
C16C15C20C191.5°0.2°
C15C16C17H16180.0°179.9°
C15C16C17C181.1°0.1°
C16C15C20H20178.5°179.8°
C15C16C17H17178.9°180.0°
C20C19C18C170.4°0.2°
C20C19C18C21179.5°180.0°
C20C19C21C2256.3°180.0°
C20C19C21C24124.2°0.3°
C20C19C18H18179.6°180.0°
C16C17C18H17180.0°180.0°
C16C17C18C190.0°0.3°
C16C17C18H18180.0°180.0°
C17C18C19H18180.0°179.7°
C17C18C19C21179.9°179.8°
C18C17C16H16178.9°179.9°
C18C19C21C22124.2°0.0°
C18C19C21C2455.3°179.7°
C18C19C20H20179.7°180.0°
C19C18C17H17180.0°179.8°
C19C21C22C24179.5°179.7°
C19C21C22N5179.5°180.0°
C19C21C24N6179.5°179.8°
C21C19C20H200.9°0.0°
C21C19C18H180.1°0.0°
C19C21C22H220.6°0.0°
C19C21C24H240.5°0.0°
C21C22N5H22180.0°180.0°
C21C22N5C230.4°0.0°
C22C21C24N60.0°0.5°
C22C21C24H24180.0°179.7°
C24C21C22N50.1°0.3°
C21C24N6C230.3°0.5°
C21C24N6H24180.0°179.8°
C24C21C22H22179.9°179.8°
C22N5C23N7179.8°180.0°
C22N5C23N60.8°0.0°
N5C23N7N6179.4°180.0°
N5C23N6C240.7°0.3°
C23N5C22H22179.5°180.0°
N5C23N7H71N0.0°0.0°
N5C23N7H72N120.0°179.9°
N7C23N6C24179.9°179.7°
C23N7H71NH72N120.0°179.9°
C23N6C24H24179.6°179.7°
N6C23N7H71N179.4°180.0°
N6C23N7H72N60.6°0.1°
H261C26H262H263120.0°120.0°
H261C26C25H2560.7°180.0°
H262C26C25H25179.3°60.0°
H263C26C25H2559.3°59.9°
H25C25C27H27160.7°180.0°
H25C25C27H27259.4°60.1°
H25C25C27H273179.3°59.9°
H271C27H272H273120.0°120.0°
H13C13C14H140.9°0.0°
H11C11C10H100.3°0.1°
H2C2C1H11.2°0.0°
H91CC9C8H81C35.3°53.6°
H91CC9C8H82C155.4°174.2°
H92CC9C8H81C83.4°66.5°
H92CC9C8H82C36.7°54.1°
H61CC6C7H71C50.8°54.1°
H61CC6C7H72C70.0°66.5°
H62CC6C7H71C170.1°174.2°
H62CC6C7H72C49.2°53.6°
H16C16C17H171.1°0.1°
H17C17C18H180.0°0.0°

222415

PDB entries from 2024-07-10

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