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XD8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N31C30doub1.32Å1.32ÅAromatic
N31C1sing1.32Å1.34ÅAromatic
C30C29sing1.38Å1.38ÅAromatic
C1C3sing1.52Å1.50Å
C1C2doub1.38Å1.39ÅAromatic
C29C28doub1.39Å1.40ÅAromatic
C3C4sing1.54Å1.54Å
C9N8sing1.47Å1.47Å
C9C10sing1.53Å1.54Å
C2C28sing1.39Å1.38ÅAromatic
C2C5sing1.51Å1.53Å
C7N8sing1.47Å1.50Å
C7C6sing1.53Å1.53Å
C4C10sing1.52Å1.54Å
C4C6sing1.52Å1.53Å
C4C5sing1.54Å1.56Å
N8C11sing1.39Å1.41Å
C5N27sing1.47Å1.48Å
C11C16doub1.39Å1.39ÅAromatic
C11N12sing1.33Å1.36ÅAromatic
C16N15sing1.32Å1.34ÅAromatic
N12C13doub1.33Å1.33ÅAromatic
N15C14doub1.32Å1.32ÅAromatic
C13C14sing1.40Å1.41ÅAromatic
C13N17sing1.39Å1.37Å
C23C24doub1.38Å1.37ÅAromatic
C23N22sing1.32Å1.32ÅAromatic
C24C19sing1.40Å1.39ÅAromatic
C14S18sing1.76Å1.77Å
N22C21doub1.33Å1.31ÅAromatic
C19S18sing1.76Å1.75Å
C19C20doub1.39Å1.39ÅAromatic
C21C20sing1.39Å1.38ÅAromatic
C21N26sing1.39Å1.40Å
C20CL25sing1.74Å1.72Å
C5H1sing1.09Å1.10Å
C6H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C24H8sing1.08Å1.08Å
C28H9sing1.08Å1.08Å
C3H10sing1.09Å1.10Å
C3H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
C16H14sing1.08Å1.08Å
N17H15sing0.97Å1.00Å
N17H16sing0.97Å1.00Å
C23H17sing1.08Å1.08Å
N26H18sing0.97Å1.00Å
N26H19sing0.97Å1.00Å
N27H20sing1.01Å1.00Å
N27H21sing1.01Å1.00Å
C29H23sing1.08Å1.08Å
C30H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C30N31C1119.7°122.0°
N31C30C29120.6°120.8°
N31C30H24119.7°119.6°
N31C1C3127.3°130.1°
N31C1C2123.3°120.3°
C30C29C28120.6°119.0°
C30C29H23119.7°120.6°
C29C30H24119.7°119.6°
C3C1C2109.4°109.6°
C1C3C4108.9°105.1°
C1C3H10109.6°110.3°
C1C3H11109.6°110.4°
C1C2C28117.6°119.4°
C1C2C5111.2°109.9°
C29C28C2118.3°118.5°
C29C28H9120.9°120.7°
C28C29H23119.7°120.5°
C3C4C10109.5°110.6°
C3C4C6110.0°110.6°
C3C4C5104.3°103.1°
C4C3H10109.6°110.2°
C4C3H11109.6°110.3°
N8C9C10108.7°109.5°
C9N8C7112.4°111.3°
C9N8C11118.5°111.0°
N8C9H12109.6°109.5°
N8C9H13109.7°109.5°
C9C10C4111.4°109.4°
C9C10H6109.0°109.5°
C9C10H7109.0°109.5°
C10C9H12109.7°109.5°
C10C9H13109.7°109.5°
C28C2C5131.2°130.7°
C2C28H9120.8°120.8°
C2C5C4106.0°105.1°
C2C5N27112.3°110.3°
C2C5H1109.2°110.4°
N8C7C6112.8°109.4°
C7N8C11115.2°111.0°
N8C7H4108.6°109.5°
N8C7H5108.6°109.4°
C7C6C4110.5°109.4°
C7C6H2109.2°109.5°
C7C6H3109.2°109.5°
C6C7H4108.7°109.5°
C6C7H5108.6°109.5°
C10C4C6109.8°110.9°
C10C4C5112.3°110.7°
C4C10H6109.0°109.5°
C4C10H7109.0°109.5°
C6C4C5110.7°110.6°
C4C6H2109.2°109.4°
C4C6H3109.2°109.5°
C4C5N27110.2°110.4°
C4C5H1109.0°110.3°
N8C11C16121.8°119.9°
N8C11N12119.3°120.0°
N27C5H1110.0°110.3°
C5N27H20109.5°111.0°
C5N27H21109.5°111.0°
C16C11N12118.9°120.1°
C11C16N15120.3°120.2°
C11C16H14119.9°119.9°
C11N12C13119.9°119.9°
C16N15C14121.4°120.1°
N15C16H14119.8°120.0°
N12C13C14120.7°119.9°
N12C13N17118.0°120.0°
N15C14C13118.8°119.9°
N15C14S18117.7°120.0°
C14C13N17121.3°120.1°
C13C14S18123.5°120.1°
C13N17H15109.5°120.0°
C13N17H16109.5°120.0°
C24C23N22120.2°120.9°
C23C24C19119.7°119.2°
C23C24H8120.2°120.4°
C24C23H17119.9°119.5°
C23N22C21123.0°121.8°
N22C23H17119.9°119.5°
C24C19S18121.8°120.8°
C24C19C20117.3°118.3°
C19C24H8120.2°120.4°
C14S18C19106.7°103.0°
N22C21C20119.4°120.6°
N22C21N26117.8°119.7°
S18C19C20120.9°120.8°
C19C20C21120.5°119.0°
C19C20CL25119.4°120.5°
C20C21N26122.8°119.7°
C21C20CL25120.1°120.5°
C21N26H18109.5°120.0°
C21N26H19109.5°120.0°
H2C6H3109.5°109.5°
H4C7H5109.5°109.5°
H6C10H7109.4°109.5°
H10C3H11109.5°110.3°
H12C9H13109.5°109.5°
H15N17H16109.4°120.0°
H18N26H19109.4°120.0°
H20N27H21109.4°111.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N31C30C29H24180.0°180.0°
C30N31C1C3179.6°179.9°
C30N31C1C20.4°0.1°
N31C30C29C281.5°0.0°
N31C30C29H23178.5°180.0°
C1N31C30C290.9°0.0°
N31C1C3C2180.0°180.0°
N31C1C3C4177.1°163.5°
N31C1C2C280.5°0.1°
N31C1C2C5179.8°179.9°
N31C1C3H1063.0°77.6°
N31C1C3H1157.2°44.6°
C1N31C30H24179.1°179.9°
C30C29C28H23180.0°179.9°
C30C29C28C21.5°0.1°
C30C29C28H9178.5°180.0°
C1C3C4H10119.9°118.9°
C1C3C4H11119.9°119.0°
C3C1C2C28179.5°180.0°
C3C1C2C50.2°0.1°
C1C3C4C10125.1°93.1°
C1C3C4C6114.1°143.6°
C1C3C4C54.7°25.3°
C1C3H10H11120.2°122.2°
C1C2C28C291.0°0.0°
C2C1C3C42.9°16.4°
C1C2C28C5179.7°180.0°
C1C2C5C43.2°16.3°
C1C2C5N27117.2°135.3°
C1C2C5H1120.5°102.6°
C1C2C28H9179.0°179.9°
C2C1C3H10117.0°102.4°
C2C1C3H11122.8°135.4°
C29C28C2H9180.0°179.9°
C29C28C2C5179.3°180.0°
C28C29C30H24178.5°180.0°
C3C4C10C963.8°178.8°
C3C4C5C24.6°25.3°
C3C4C6C768.1°178.9°
C3C4C10C6120.9°123.1°
C3C4C10C5115.5°113.7°
C3C4C6C5114.8°113.6°
C3C4C5N27117.1°144.2°
C3C4C5H1122.1°93.7°
C3C4C6H2171.8°58.9°
C3C4C6H352.1°61.1°
C3C4C10H656.5°61.1°
C3C4C10H7175.9°58.9°
C4C3H10H11120.3°122.1°
N8C9C10H12119.9°120.0°
N8C9C10H13119.9°120.0°
C9N8C7C11139.9°124.2°
C9N8C7C656.7°62.4°
N8C9C10C459.4°57.9°
C9N8C11C1635.2°55.7°
C9N8C11N12145.4°124.3°
C9N8C7H4177.2°177.6°
C9N8C7H563.7°57.6°
N8C9C10H6179.7°177.9°
N8C9C10H760.9°62.0°
N8C9H12H13120.4°120.0°
C10C9N8C758.5°62.3°
C9C10C4H6120.3°120.0°
C9C10C4H7120.3°119.9°
C9C10C4C657.1°55.7°
C9C10C4C5179.3°67.5°
C10C9N8C1179.9°173.5°
C9C10H6H7119.1°120.0°
C10C9H12H13120.4°120.0°
C28C2C5C4176.5°163.6°
C28C2C5N2763.1°44.7°
C28C2C5H159.2°77.4°
C2C28C29H23178.5°180.0°
C2C5C4C10123.2°93.1°
C2C5C4C6113.6°143.6°
C2C5C4N27121.7°118.9°
C2C5C4H1117.5°119.0°
C2C5N27H1121.9°122.2°
C5C2C28H90.7°0.1°
C2C5N27H20180.0°73.6°
C2C5N27H2160.0°50.5°
N8C7C6H4120.5°120.0°
N8C7C6H5120.5°119.9°
N8C7C6C452.7°58.0°
C7N8C11C16172.5°180.0°
C7N8C11N128.1°0.0°
N8C7C6H267.5°61.9°
N8C7C6H3172.8°178.0°
N8C7H4H5118.5°120.0°
C7N8C9H1261.4°57.7°
C7N8C9H13178.3°177.7°
C7C6C4C1052.5°55.7°
C7C6C4H2120.2°120.0°
C7C6C4H3120.2°120.0°
C7C6C4C5177.2°67.5°
C6C7N8C1183.1°173.5°
C7C6H2H3119.5°120.1°
C6C7H4H5118.5°120.0°
C10C4C6C5124.6°123.2°
C10C4C5N271.5°25.8°
C10C4C5H1119.3°147.9°
C10C4C6H267.6°64.3°
C10C4C6H3172.7°175.7°
C4C10H6H7119.1°120.0°
C10C4C3H105.2°148.0°
C10C4C3H11115.0°25.9°
C4C10C9H1260.5°62.1°
C4C10C9H13179.2°177.9°
C6C4C5N27124.6°97.5°
C6C4C5H13.8°24.6°
C4C6H2H3119.5°120.0°
C4C6C7H4173.2°178.0°
C4C6C7H567.8°62.0°
C6C4C10H6177.4°175.7°
C6C4C10H763.3°64.3°
C6C4C3H10126.0°24.7°
C6C4C3H115.8°97.4°
C4C5N27H1120.2°122.1°
C5C4C6H257.0°172.5°
C5C4C6H362.7°52.5°
C5C4C10H659.0°52.5°
C5C4C10H760.4°172.5°
C5C4C3H10115.3°93.6°
C5C4C3H11124.6°144.3°
C4C5N27H2062.1°170.8°
C4C5N27H21177.9°65.2°
N8C11C16N12179.4°180.0°
N8C11C16N15178.6°180.0°
N8C11N12C13179.2°180.0°
C11N8C7H437.4°53.4°
C11N8C7H5156.4°66.6°
C11N8C9H12160.2°66.5°
C11N8C9H1339.9°53.5°
N8C11C16H141.4°0.0°
C5N27H20H21120.0°124.0°
C11C16N15H14180.0°180.0°
C16C11N12C130.2°0.1°
C11C16N15C140.6°0.0°
N12C11C16N150.8°0.0°
C11N12C13C140.5°0.0°
C11N12C13N17178.9°180.0°
N12C11C16H14179.2°180.0°
C16N15C14C130.1°0.1°
C16N15C14S18177.7°180.0°
N12C13C14N150.7°0.0°
N12C13C14N17178.4°180.0°
N12C13C14S18178.1°180.0°
N12C13N17H150.0°0.1°
N12C13N17H16120.0°180.0°
N15C14C13S18177.4°180.0°
N15C14C13N17179.1°180.0°
N15C14S18C1961.6°4.8°
C14N15C16H14179.4°179.9°
C13C14S18C19121.0°175.2°
C14C13N17H15178.4°179.9°
C14C13N17H1661.6°0.0°
N17C13C14S183.5°0.0°
C13N17H15H16120.0°179.9°
C24C23N22H17180.0°179.7°
C23C24C19H8180.0°180.0°
C24C23N22C210.4°0.3°
C23C24C19S18179.7°179.9°
C23C24C19C200.8°0.0°
N22C23C24C191.0°0.3°
C23N22C21C200.3°0.1°
C23N22C21N26178.3°180.0°
N22C23C24H8179.0°179.7°
C24C19S18C1417.9°103.5°
C24C19S18C20179.5°180.0°
C24C19C20C210.1°0.3°
C24C19C20CL25179.2°180.0°
C19C24C23H17179.0°180.0°
C14S18C19C20161.6°76.5°
N22C21C20C190.4°0.2°
N22C21C20N26178.5°179.9°
N22C21C20CL25178.7°180.0°
C21N22C23H17179.6°180.0°
N22C21N26H180.0°180.0°
N22C21N26H19120.0°0.1°
S18C19C20C21179.7°179.7°
S18C19C20CL251.2°0.0°
S18C19C24H80.4°0.0°
C19C20C21CL25179.1°179.7°
C19C20C21N26178.1°179.7°
C20C19C24H8179.2°180.0°
C20C21N26H18178.5°0.1°
C20C21N26H1961.5°180.0°
N26C21C20CL252.8°0.0°
C21N26H18H19120.0°179.9°
H1C5N27H2058.1°48.6°
H1C5N27H2161.9°172.7°
H2C6C7H453.0°58.1°
H2C6C7H5172.0°178.1°
H3C6C7H466.7°62.0°
H3C6C7H552.3°58.0°
H6C10C9H1259.8°57.9°
H6C10C9H1360.5°62.1°
H7C10C9H12179.2°177.9°
H7C10C9H1358.9°58.0°
H8C24C23H171.0°0.0°
H9C28C29H231.5°0.1°
H23C29C30H241.5°0.1°

247947

PDB entries from 2026-01-21

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