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227

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C34N33sing1.46Å1.48Å
C34H341sing1.09Å1.10Å
C34H342sing1.09Å1.10Å
C34H343sing1.09Å1.10Å
C32N33sing1.47Å1.47Å
C32C30sing1.53Å1.53Å
C32H321sing1.10Å1.10Å
C32H322sing1.10Å1.10Å
C4C9doub1.39Å1.38ÅAromatic
C4C1sing1.41Å1.40ÅAromatic
C4H4sing1.09Å1.08Å
C7C13doub1.40Å1.40ÅAromatic
C7C3sing1.39Å1.39ÅAromatic
C7H7sing1.09Å1.08Å
C9O14sing1.36Å1.36Å
C9C13sing1.39Å1.42ÅAromatic
C13O17sing1.36Å1.37Å
C20C15sing1.41Å1.40ÅAromatic
C20C24doub1.40Å1.38ÅAromatic
C20C16sing1.51Å1.50Å
C21O17sing1.43Å1.43Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H213sing1.09Å1.10Å
N5C10sing1.47Å1.49Å
N5C2sing1.39Å1.44Å
N5C11sing1.47Å1.47Å
C18O14sing1.43Å1.45Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C18H183sing1.09Å1.10Å
C16C11sing1.53Å1.55Å
C16H161sing1.10Å1.10Å
C16H162sing1.10Å1.10Å
C19S22sing1.76Å1.85Å
C19C23sing1.39Å1.41ÅAromatic
C19C15doub1.40Å1.39ÅAromatic
O26S22doub1.45Å1.42Å
S22N25sing1.71Å1.73Å
S22O27doub1.45Å1.39Å
N25C30sing1.49Å1.48Å
N25C29sing1.49Å1.46Å
C30H301sing1.10Å1.10Å
C30H302sing1.10Å1.10Å
N33C31sing1.47Å1.47Å
C31C29sing1.53Å1.52Å
C31H311sing1.10Å1.10Å
C31H312sing1.10Å1.10Å
C29H291sing1.10Å1.10Å
C29H292sing1.10Å1.10Å
C23C28doub1.39Å1.40ÅAromatic
C23H23sing1.09Å1.08Å
C28C24sing1.39Å1.38ÅAromatic
C28H28sing1.09Å1.08Å
C15C10sing1.51Å1.52Å
C10H101sing1.10Å1.10Å
C10H102sing1.10Å1.10Å
C24H24sing1.09Å1.08Å
C11H111sing1.10Å1.10Å
C11H112sing1.10Å1.10Å
C2C1doub1.42Å1.43ÅAromatic
C2N6sing1.37Å1.35ÅAromatic
C1C3sing1.40Å1.42ÅAromatic
N6C12doub1.34Å1.35ÅAromatic
C12N8sing1.35Å1.34ÅAromatic
C12H12sing1.08Å1.08Å
N8C3doub1.34Å1.32ÅAromatic
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N33C34H341109.5°110.1°
N33C34H342109.5°110.2°
N33C34H343109.4°110.2°
C34N33C32108.8°110.6°
C34N33C31108.0°110.6°
H341C34H342109.5°108.8°
H341C34H343109.5°108.8°
H342C34H343109.5°108.7°
N33C32C30110.8°110.8°
N33C32H321109.0°109.6°
N33C32H322108.7°110.5°
C32N33C31115.0°110.5°
C30C32H321109.0°108.5°
C30C32H322108.7°109.8°
C32C30N25105.6°109.5°
C32C30H301110.8°109.0°
C32C30H302111.6°110.8°
H321C32H322110.5°107.5°
C9C4C1121.3°120.0°
C9C4H4119.4°118.6°
C4C9O14119.8°119.7°
C4C9C13120.7°119.5°
C1C4H4119.3°121.5°
C4C1C2123.4°121.2°
C4C1C3117.3°121.0°
C13C7C3119.1°121.6°
C13C7H7120.5°119.0°
C7C13C9119.3°120.1°
C7C13O17122.7°119.3°
C3C7H7120.5°119.4°
C7C3C1122.3°117.8°
C7C3N8118.7°120.7°
O14C9C13119.4°120.7°
C9O14C18122.9°117.1°
C9C13O17118.0°120.5°
C13O17C21122.4°117.0°
C15C20C24120.5°119.4°
C15C20C16121.4°121.1°
C20C15C19119.1°119.6°
C20C15C10119.7°120.8°
C24C20C16118.1°119.5°
C20C24C28120.5°120.5°
C20C24H24119.7°120.3°
C20C16C11110.9°112.8°
C20C16H161109.0°107.8°
C20C16H162108.7°110.1°
O17C21H211109.5°109.5°
O17C21H212109.5°109.5°
O17C21H213109.4°109.0°
H211C21H212109.4°110.1°
H211C21H213109.5°109.4°
H212C21H213109.5°109.4°
C10N5C2120.5°122.1°
C10N5C11108.2°113.5°
N5C10C15116.5°110.9°
N5C10H101107.2°109.2°
N5C10H102105.6°110.2°
C2N5C11122.1°119.4°
N5C2C1126.0°121.0°
N5C2N6116.6°118.4°
N5C11C16112.1°108.5°
N5C11H111108.6°111.5°
N5C11H112108.0°109.2°
O14C18H181109.5°109.6°
O14C18H182109.5°109.5°
O14C18H183109.5°109.0°
H181C18H182109.4°110.0°
H181C18H183109.5°109.3°
H182C18H183109.5°109.4°
C11C16H161109.0°109.4°
C11C16H162108.7°108.9°
C16C11H111108.6°110.7°
C16C11H112108.0°109.9°
H161C16H162110.6°107.7°
S22C19C23114.4°117.2°
S22C19C15125.4°122.4°
C19S22O26117.1°107.8°
C19S22N25106.9°100.1°
C19S22O27102.3°107.9°
C23C19C15120.2°120.4°
C19C23C28119.7°120.1°
C19C23H23120.2°119.8°
C19C15C10121.1°119.6°
O26S22N25106.7°109.0°
O26S22O27109.8°121.0°
N25S22O27114.2°109.0°
S22N25C30111.0°115.5°
S22N25C29111.4°115.5°
C30N25C29111.9°111.4°
N25C30H301110.8°109.3°
N25C30H302111.6°109.7°
N25C29C31109.1°109.5°
N25C29H291109.6°109.8°
N25C29H292109.7°109.3°
H301C30H302106.6°108.4°
N33C31C29110.8°110.9°
N33C31H311109.1°110.4°
N33C31H312108.7°109.7°
C29C31H311109.0°109.8°
C29C31H312108.7°108.5°
C31C29H291109.6°110.8°
C31C29H292109.7°109.1°
H311C31H312110.5°107.5°
H291C29H292109.2°108.4°
C28C23H23120.1°120.2°
C23C28C24119.9°120.1°
C23C28H28120.0°119.9°
C24C28H28120.1°120.0°
C28C24H24119.8°119.2°
C15C10H101107.2°108.8°
C15C10H102105.6°110.1°
H101C10H102115.1°107.6°
H111C11H112111.5°107.0°
C1C2N6117.4°120.6°
C2C1C3119.3°117.8°
C2N6C12120.0°116.4°
C1C3N8119.0°121.4°
N6C12N8122.3°127.1°
N6C12H12118.9°116.6°
N8C12H12118.8°116.3°
C12N8C3119.8°116.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N33C34H341H342120.0°120.9°
N33C34H341H343120.0°120.9°
N33C34H342H343119.9°120.8°
C34N33C32C31121.3°122.8°
C34N33C32C30174.6°178.6°
C34N33C32H32154.6°58.8°
C34N33C32H32265.9°59.5°
C34N33C31C29171.2°178.6°
C34N33C31H31168.8°59.5°
C34N33C31H31251.8°58.7°
H341C34H342H343120.0°118.3°
H341C34N33C32144.1°47.8°
H341C34N33C3190.4°74.9°
H342C34N33C3224.1°72.2°
H342C34N33C31149.6°165.0°
H343C34N33C3295.9°167.9°
H343C34N33C3129.6°45.1°
N33C32C30H321120.0°120.4°
N33C32C30H322119.5°122.4°
N33C32H321H322119.5°120.1°
N33C32C30N2557.9°57.3°
N33C32C30H301177.9°176.8°
N33C32C30H30263.5°63.9°
C32N33C31C2949.5°58.6°
C32N33C31H311169.5°63.3°
C32N33C31H31270.0°178.4°
C30C32H321H322119.4°118.7°
C32C30N25S22169.9°168.9°
C32C30N25H301120.0°119.4°
C32C30N25H302121.4°121.8°
C32C30N25C2964.9°56.8°
C32C30H301H302121.5°120.8°
C30C32N33C3153.3°58.6°
H321C32C30N2562.1°177.7°
H321C32C30H30157.9°62.8°
H321C32C30H302176.5°56.5°
H321C32N33C3166.7°178.4°
H322C32C30N25177.4°65.1°
H322C32C30H30162.6°54.4°
H322C32C30H30256.0°173.7°
H322C32N33C31172.8°63.3°
C9C4C1H4180.0°180.0°
C4C9C13C71.0°0.0°
C4C9O14C13177.5°180.0°
C4C9C13O17178.9°180.0°
C4C9O14C186.7°90.0°
C9C4C1C2179.2°180.0°
C9C4C1C30.9°0.0°
C4C1C3C71.7°0.0°
C1C4C9O14177.9°180.0°
C1C4C9C130.4°0.0°
C4C1C2N53.6°0.0°
C4C1C2C3178.3°180.0°
C4C1C2N6177.9°180.0°
C4C1C3N8178.5°180.0°
H4C4C9O142.1°0.0°
H4C4C9C13179.6°180.0°
H4C4C1C20.7°0.0°
H4C4C1C3179.1°180.0°
C13C7C3H7180.0°180.0°
C7C13C9O14178.5°180.0°
C7C13C9O17179.9°180.0°
C7C13O17C2114.5°90.0°
C13C7C3C11.2°0.0°
C13C7C3N8179.0°180.0°
C3C7C13C90.2°0.0°
C3C7C13O17179.7°180.0°
C7C3C1C2179.9°180.0°
C7C3C1N8179.8°180.0°
C7C3N8C12171.2°180.0°
H7C7C13C9179.8°180.0°
H7C7C13O170.3°0.0°
H7C7C3C1178.8°179.9°
H7C7C3N80.9°0.1°
O14C9C13O171.4°0.0°
C9O14C18H18141.8°32.7°
C9O14C18H18278.1°153.5°
C9O14C18H183161.8°86.9°
C9C13O17C21165.3°90.0°
C13C9O14C18175.7°90.0°
C13O17C21H211135.1°24.7°
C13O17C21H21215.1°96.1°
C13O17C21H213104.9°144.3°
C15C20C24C16179.9°177.0°
C20C15C10N512.8°20.7°
C15C20C16C1117.4°17.1°
C15C20C16H161102.6°103.8°
C15C20C16H162136.8°138.9°
C20C15C19S22177.9°177.2°
C20C15C19C230.5°1.4°
C20C15C19C10179.4°176.9°
C15C20C24C280.6°1.2°
C20C15C10H101107.1°99.5°
C20C15C10H102129.6°142.9°
C15C20C24H24179.4°178.7°
C24C20C16C11162.7°165.9°
C24C20C16H16177.3°73.2°
C24C20C16H16243.3°44.1°
C24C20C15C190.3°1.8°
C20C24C28C230.0°0.3°
C20C24C28H24180.0°179.9°
C20C24C28H28180.0°179.8°
C24C20C15C10179.0°178.6°
C20C16C11N551.3°45.6°
C20C16C11H161120.0°120.0°
C20C16C11H162119.4°122.5°
C20C16H161H162119.5°118.8°
C16C20C15C19179.8°178.8°
C16C20C24C28179.5°178.3°
C16C20C15C100.9°4.4°
C16C20C24H240.5°1.7°
C20C16C11H11168.7°168.3°
C20C16C11H112170.2°73.7°
O17C21H211H212120.0°120.4°
O17C21H211H213120.0°119.3°
O17C21H212H213120.0°119.4°
H211C21H212H213120.0°120.2°
C10N5C2C11142.8°153.4°
C10N5C11C1664.7°66.4°
N5C10C15C19166.5°162.5°
N5C10C15H101120.0°120.2°
N5C10C15H102116.8°122.2°
N5C10H101H102117.1°119.6°
C10N5C11H11155.3°171.4°
C10N5C11H112176.5°53.4°
C10N5C2C149.7°60.0°
C10N5C2N6128.8°119.9°
C2N5C11C1682.1°89.2°
C2N5C10C15102.7°102.1°
C2N5C10H101137.3°138.1°
C2N5C10H10214.1°20.0°
C2N5C11H111157.9°33.0°
C2N5C11H11236.8°151.0°
N5C2C1N6178.5°179.9°
N5C2C1C3178.1°180.0°
N5C2N6C12173.3°180.0°
N5C11C16H111120.0°122.7°
N5C11C16H112118.9°119.4°
N5C11C16H16168.7°74.4°
N5C11C16H162170.7°168.1°
C11N5C10C1544.7°52.8°
C11N5C10H10175.3°67.1°
C11N5C10H102161.5°174.9°
N5C11H111H112118.9°119.3°
C11N5C2C1167.5°146.6°
C11N5C2N614.0°33.5°
O14C18H181H182120.0°120.5°
O14C18H181H183120.0°119.4°
O14C18H182H183120.0°119.4°
H181C18H182H183120.0°120.1°
C11C16H161H162119.4°118.2°
C16C11H111H112118.9°119.7°
H161C16C11H111171.3°48.3°
H161C16C11H11250.2°166.3°
H162C16C11H11150.7°69.2°
H162C16C11H11270.4°48.8°
S22C19C23C15177.7°178.6°
C19S22O26N25119.7°107.7°
C19S22O26O27116.0°124.7°
C19S22N25O27112.4°113.1°
C19S22N25C3050.1°60.1°
C19S22N25C2975.3°167.5°
S22C19C23C28178.8°178.2°
S22C19C23H231.2°1.8°
S22C19C15C102.7°0.3°
C23C19S22O26156.7°154.6°
C23C19S22N2583.8°91.5°
C23C19S22O2736.6°22.4°
C19C23C28H23180.0°180.0°
C19C23C28C240.8°0.2°
C19C23C28H28179.2°179.7°
C23C19C15C10179.8°178.3°
C15C19S22O2625.7°23.9°
C15C19S22N2593.8°89.9°
C15C19S22O27145.8°156.2°
C15C19C23C281.0°0.4°
C15C19C23H23179.0°179.6°
C19C15C10H10173.5°77.4°
C19C15C10H10249.7°40.3°
O26S22N25O27121.6°134.0°
O26S22N25C30176.1°172.9°
O26S22N25C2950.7°54.6°
S22N25C30C29125.1°134.3°
S22N25C30H30149.9°49.6°
S22N25C30H30268.6°69.2°
S22N25C29C31172.1°169.0°
S22N25C29H29168.0°69.2°
S22N25C29H29251.9°49.5°
O27S22N25C3062.3°53.0°
O27S22N25C29172.3°79.4°
N25C30H301H302121.6°119.6°
C30N25C29C3163.1°56.7°
C30N25C29H29156.9°65.1°
C30N25C29H292176.8°176.2°
C29N25C30H301175.1°176.2°
C29N25C30H30256.5°65.1°
N25C29C31N3352.1°57.2°
N25C29C31H291120.0°121.2°
N25C29C31H292120.2°119.5°
N25C29C31H311172.2°65.1°
N25C29C31H31267.3°177.7°
N25C29H291H292120.2°119.3°
N33C31C29H311120.0°122.3°
N33C31C29H312119.4°120.5°
N33C31H311H312119.5°119.6°
N33C31C29H29167.9°64.0°
N33C31C29H292172.3°176.7°
C29C31H311H312119.5°117.8°
C31C29H291H292120.1°119.7°
H311C31C29H29152.1°173.7°
H311C31C29H29267.7°54.4°
H312C31C29H291172.7°56.5°
H312C31C29H29252.9°62.8°
C23C28C24H28180.0°179.9°
C23C28C24H24180.0°179.7°
H23C23C28C24179.2°179.8°
H23C23C28H280.8°0.3°
H28C28C24H240.0°0.2°
C15C10H101H102117.2°119.2°
C1C2N6C128.1°0.0°
C2C1C3N80.1°0.0°
N6C2C1C30.4°0.0°
C2N6C12N817.8°0.0°
C2N6C12H12162.2°179.9°
C1C3N8C129.0°0.0°
N6C12N8H12180.0°180.0°
N6C12N8C318.3°0.0°
H12C12N8C3161.7°180.0°

222415

PDB entries from 2024-07-10

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