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215

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C3C8sing1.48Å1.47ÅAromatic
C3C2doub1.39Å1.38ÅAromatic
C3N4sing1.34Å1.35ÅAromatic
C5C6sing1.48Å1.49ÅAromatic
C5N4doub1.31Å1.35ÅAromatic
C5N1sing1.36Å1.35ÅAromatic
C6C21sing1.40Å1.39ÅAromatic
C6C17doub1.40Å1.39ÅAromatic
C21C20doub1.38Å1.40ÅAromatic
C21H21sing1.08Å1.08Å
C23O22sing1.43Å1.44Å
C23C24sing1.53Å1.53Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C31C32sing1.51Å1.50Å
C31C30sing1.53Å1.55Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C32N33doub1.29Å1.26Å
C32C28sing1.48Å1.51Å
O34N33sing1.42Å1.39Å
O34H34sing0.97Å0.95Å
C30C29sing1.51Å1.52Å
C30H301sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
C29C9sing1.38Å1.40ÅAromatic
C29C28doub1.39Å1.39ÅAromatic
C9C8doub1.40Å1.38ÅAromatic
C9H9sing1.08Å1.08Å
C28C10sing1.40Å1.39ÅAromatic
C10C11doub1.37Å1.40ÅAromatic
C10H10sing1.08Å1.08Å
C11C8sing1.40Å1.41ÅAromatic
C11H11sing1.08Å1.08Å
C2C7sing1.48Å1.50ÅAromatic
C2N1sing1.38Å1.37ÅAromatic
C7C16doub1.40Å1.39ÅAromatic
C7C12sing1.40Å1.41ÅAromatic
C16C15sing1.38Å1.39ÅAromatic
C16H16sing1.08Å1.08Å
C15N14doub1.32Å1.35ÅAromatic
C15H15sing1.08Å1.08Å
N14C13sing1.32Å1.33ÅAromatic
C13C12doub1.38Å1.37ÅAromatic
C13H13sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
N1HN1sing0.97Å1.00Å
C20C19sing1.39Å1.38ÅAromatic
C20H20sing1.08Å1.08Å
C19C18doub1.39Å1.41ÅAromatic
C19O22sing1.36Å1.38Å
C18C17sing1.38Å1.41ÅAromatic
C18H18sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C24N25sing1.47Å1.48Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
N25C27sing1.47Å1.52Å
N25C26sing1.47Å1.47Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8C3C2132.1°126.2°
C8C3N4120.5°126.1°
C3C8C9119.8°120.1°
C3C8C11120.0°120.1°
C2C3N4107.1°107.7°
C3C2C7129.7°126.8°
C3C2N1107.0°106.4°
C3N4C5109.5°109.6°
C6C5N4125.9°125.4°
C6C5N1126.3°125.4°
C5C6C21118.0°120.1°
C5C6C17122.3°120.1°
N4C5N1107.8°109.2°
C5N1C2108.5°107.2°
C5N1HN1125.7°126.4°
C21C6C17119.7°119.9°
C6C21C20122.4°119.9°
C6C21H21118.8°120.1°
C6C17C18117.6°119.9°
C6C17H17121.2°120.0°
C20C21H21118.8°120.0°
C21C20C19119.0°120.1°
C21C20H20120.5°119.9°
O22C23C24111.5°109.5°
O22C23H231108.4°109.5°
O22C23H232108.8°109.5°
C23O22C19121.4°106.8°
C24C23H231108.3°109.5°
C24C23H232108.8°109.5°
C23C24N25112.5°109.4°
C23C24H241107.8°109.5°
C23C24H242108.5°109.5°
H231C23H232111.1°109.4°
C32C31C30105.1°105.4°
C32C31H311111.9°110.3°
C32C31H312111.0°110.3°
C31C32N33118.8°125.9°
C31C32C28109.0°108.0°
C30C31H311111.9°110.3°
C30C31H312111.0°110.2°
C31C30C29104.9°106.4°
C31C30H301112.0°110.1°
C31C30H302111.0°110.1°
H311C31H312106.1°110.3°
N33C32C28132.2°126.0°
C32N33O34121.6°119.9°
C32C28C29108.2°110.6°
C32C28C10131.1°129.8°
N33O34H34109.5°106.8°
C29C30H301112.0°110.1°
C29C30H302111.0°110.0°
C30C29C9124.7°130.3°
C30C29C28111.7°109.6°
H301C30H302106.0°110.0°
C9C29C28123.6°120.1°
C29C9C8116.4°120.2°
C29C9H9121.8°119.9°
C29C28C10120.6°119.6°
C8C9H9121.8°119.8°
C9C8C11119.7°119.8°
C28C10C11115.7°120.3°
C28C10H10122.1°119.8°
C11C10H10122.2°119.8°
C10C11C8123.9°120.0°
C10C11H11118.0°120.0°
C8C11H11118.1°120.0°
C7C2N1123.1°126.8°
C2C7C16120.2°120.9°
C2C7C12119.1°120.9°
C2N1HN1125.8°126.4°
C16C7C12120.7°118.1°
C7C16C15115.5°119.0°
C7C16H16122.2°120.5°
C7C12C13121.1°119.0°
C7C12H12119.5°120.5°
C15C16H16122.3°120.5°
C16C15N14122.2°120.9°
C16C15H15118.9°119.6°
N14C15H15118.9°119.5°
C15N14C13123.6°122.1°
N14C13C12117.0°120.9°
N14C13H13121.5°119.5°
C12C13H13121.5°119.5°
C13C12H12119.4°120.5°
C19C20H20120.5°120.0°
C20C19C18118.6°120.2°
C20C19O22118.5°119.9°
C18C19O22122.9°119.9°
C19C18C17122.7°120.0°
C19C18H18118.6°120.0°
C17C18H18118.7°120.0°
C18C17H17121.2°120.0°
N25C24H241107.8°109.5°
N25C24H242108.5°109.5°
C24N25C27117.2°106.7°
C24N25C26102.9°106.7°
H241C24H242111.8°109.5°
C27N25C26114.1°106.7°
N25C27H271109.5°109.4°
N25C27H272109.5°109.5°
N25C27H273109.5°109.4°
N25C26H261109.4°109.5°
N25C26H262109.5°109.5°
N25C26H263109.5°109.5°
H271C27H272109.5°109.5°
H271C27H273109.4°109.5°
H272C27H273109.5°109.5°
H261C26H262109.5°109.4°
H261C26H263109.5°109.5°
H262C26H263109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8C3C2N4172.9°179.8°
C8C3N4C5175.9°179.8°
C3C8C9C29175.9°179.7°
C3C8C9C11172.4°179.8°
C3C8C9H94.1°0.2°
C3C8C11C10176.5°180.0°
C3C8C11H113.5°0.1°
C8C3C2C79.1°0.0°
C8C3C2N1175.1°180.0°
C2C3N4C52.0°0.4°
C3C2N1C51.5°0.0°
C2C3C8C930.2°138.2°
C2C3C8C11157.4°42.0°
C3C2C7N1175.2°180.0°
C3C2C7C1633.5°47.3°
C3C2C7C12149.2°133.0°
C3C2N1HN1178.5°180.0°
C3N4C5C6178.7°179.9°
C3N4C5N11.1°0.4°
N4C3C8C9141.9°42.1°
N4C3C8C1130.4°137.7°
N4C3C2C7178.0°179.8°
N4C3C2N12.2°0.2°
C6C5N4N1179.8°179.7°
C5C6C21C17179.1°180.0°
C5C6C21C20179.6°179.8°
C5C6C21H210.4°0.0°
C6C5N1C2179.9°179.9°
C6C5N1HN10.1°0.1°
C5C6C17C18178.7°180.0°
C5C6C17H171.3°0.0°
N4C5C6C2131.3°140.0°
N4C5C6C17147.8°40.0°
N4C5N1C20.3°0.3°
N4C5N1HN1179.7°179.8°
N1C5C6C21149.0°39.7°
N1C5C6C1732.0°140.3°
C5N1C2C7177.7°180.0°
C5N1C2HN1180.0°180.0°
C6C21C20H21180.0°179.8°
C6C21C20C190.7°0.5°
C6C21C20H20179.3°180.0°
C21C6C17C180.3°0.0°
C21C6C17H17179.7°180.0°
C17C6C21C200.6°0.2°
C17C6C21H21179.5°180.0°
C6C17C18C191.0°0.0°
C6C17C18H17180.0°180.0°
C6C17C18H18178.9°180.0°
C21C20C19H20180.0°179.6°
C21C20C19C180.0°0.5°
C21C20C19O22179.7°179.8°
H21C21C20C19179.3°179.8°
H21C21C20H200.7°0.2°
O22C23C24H231119.2°120.0°
O22C23C24H232120.0°120.0°
O22C23H231H232119.4°120.0°
C23O22C19C2092.2°0.2°
C23O22C19C1888.1°180.0°
O22C23C24N25102.3°65.0°
O22C23C24H24116.4°55.0°
O22C23C24H242137.7°175.0°
C24C23H231H232119.4°120.0°
C24C23O22C19152.4°180.0°
C23C24N25H241118.7°120.0°
C23C24N25H242120.0°120.0°
C23C24H241H242119.1°120.0°
C23C24N25C2734.4°170.0°
C23C24N25C2691.7°76.2°
H231C23O22C1933.3°59.9°
H231C23C24N2516.8°175.0°
H231C23C24H241135.6°65.0°
H231C23C24H242103.2°55.0°
H232C23O22C1987.6°60.0°
H232C23C24N25137.7°55.0°
H232C23C24H241103.6°175.0°
H232C23C24H24217.7°65.0°
C32C31C30H311121.6°119.0°
C32C31C30H312120.0°119.0°
C32C31H311H312121.2°122.1°
C31C32N33C28178.3°180.0°
C31C32N33O34179.7°180.0°
C32C31C30C2910.1°0.0°
C32C31C30H301111.6°119.3°
C32C31C30H302130.0°119.2°
C31C32C28C296.1°0.1°
C31C32C28C10171.6°179.9°
C30C31H311H312121.2°122.0°
C30C31C32N33171.3°180.0°
C30C31C32C2810.1°0.0°
C31C30C29H301121.7°119.3°
C31C30C29H302120.0°119.2°
C31C30H301H302121.3°121.6°
C31C30C29C9171.8°179.7°
C31C30C29C286.9°0.1°
H311C31C32N3349.6°61.0°
H311C31C32C28131.7°119.0°
H311C31C30C29131.7°119.0°
H311C31C30H30110.0°0.3°
H311C31C30H302108.3°121.8°
H312C31C32N3368.7°61.0°
H312C31C32C28110.0°119.0°
H312C31C30C29110.0°119.0°
H312C31C30H301128.3°121.8°
H312C31C30H30210.0°0.2°
C32N33O34H3436.0°180.0°
N33C32C28C29175.5°180.0°
N33C32C28C106.8°0.1°
C28C32N33O341.4°0.0°
C32C28C29C300.7°0.1°
C32C28C29C9178.0°179.8°
C32C28C29C10177.9°179.9°
C32C28C10C11177.2°180.0°
C32C28C10H102.8°0.1°
C29C30H301H302121.2°121.5°
C30C29C9C28178.5°179.6°
C30C29C9C8179.8°179.8°
C30C29C9H90.2°0.3°
C30C29C28C10178.7°180.0°
H301C30C29C966.5°60.4°
H301C30C29C28114.8°119.2°
H302C30C29C951.8°61.0°
H302C30C29C28126.9°119.3°
C29C9C8H9180.0°179.5°
C9C29C28C100.0°0.3°
C29C9C8C113.5°0.5°
C28C29C9C81.6°0.5°
C28C29C9H9178.4°179.9°
C29C28C10C110.2°0.1°
C29C28C10H10179.8°180.0°
C9C8C11C104.1°0.2°
C9C8C11H11175.9°179.7°
H9C9C8C11176.5°180.0°
C28C10C11H10180.0°179.9°
C28C10C11C82.3°0.1°
C28C10C11H11177.7°179.9°
C10C11C8H11180.0°180.0°
H10C10C11C8177.7°180.0°
H10C10C11H112.3°0.0°
C2C7C16C12177.3°179.7°
C2C7C16C15179.4°180.0°
C2C7C16H160.6°0.0°
C2C7C12C13179.0°179.7°
C2C7C12H121.1°0.3°
C7C2N1HN12.3°0.0°
N1C2C7C16141.8°132.7°
N1C2C7C1235.6°47.0°
C7C16C15H16180.0°180.0°
C7C16C15N141.8°0.0°
C7C16C15H15178.2°180.0°
C16C7C12C131.6°0.6°
C16C7C12H12178.4°179.9°
C12C7C16C152.1°0.3°
C12C7C16H16177.9°179.7°
C7C12C13N140.7°0.6°
C7C12C13H12180.0°179.4°
C7C12C13H13179.3°179.7°
C16C15N14H15180.0°180.0°
C16C15N14C131.1°0.0°
H16C16C15N14178.2°180.0°
H16C16C15H151.8°0.1°
C15N14C13C120.4°0.3°
C15N14C13H13179.6°180.0°
H15C15N14C13178.9°180.0°
N14C13C12H13180.0°179.7°
N14C13C12H12179.3°179.9°
H13C13C12H120.7°0.3°
C20C19C18O22179.7°179.7°
C20C19C18C170.9°0.3°
C20C19C18H18179.1°179.8°
H20C20C19C18180.0°179.9°
H20C20C19O220.3°0.2°
C19C18C17H18180.0°179.9°
C19C18C17H17179.0°180.0°
O22C19C18C17178.8°180.0°
O22C19C18H181.2°0.0°
H18C18C17H171.1°0.1°
N25C24H241H242119.2°120.0°
C24N25C27C26120.4°113.8°
C24N25C27H2715.8°180.0°
C24N25C27H272114.2°60.0°
C24N25C27H273125.8°60.0°
C24N25C26H261103.8°66.3°
C24N25C26H262136.2°173.8°
C24N25C26H26316.2°53.7°
H241C24N25C2784.4°70.0°
H241C24N25C26149.5°43.7°
H242C24N25C27154.4°50.0°
H242C24N25C2628.2°163.8°
N25C27H271H272120.0°120.0°
N25C27H271H273120.0°120.0°
N25C27H272H273120.0°119.9°
C27N25C26H26124.3°179.9°
C27N25C26H26295.7°60.0°
C27N25C26H263144.3°60.0°
C26N25C27H271114.6°66.2°
C26N25C27H272125.4°173.8°
C26N25C27H2735.4°53.8°
N25C26H261H262120.0°120.0°
N25C26H261H263120.0°120.1°
N25C26H262H263120.0°120.1°
H271C27H272H273120.0°120.1°
H261C26H262H263120.0°120.0°

218853

PDB entries from 2024-04-24

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