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541

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C1sing1.36Å1.43ÅAromatic
C20C22doub1.41Å1.43ÅAromatic
C20H20sing1.08Å1.08Å
C1C2doub1.39Å1.42ÅAromatic
C1H1sing1.08Å1.08Å
C2C3sing1.36Å1.43ÅAromatic
C2H2sing1.08Å1.08Å
C3C21doub1.40Å1.43ÅAromatic
C3H3sing1.08Å1.08Å
C21C22sing1.42Å1.47ÅAromatic
C21C7sing1.41Å1.43ÅAromatic
C22N1sing1.34Å1.39ÅAromatic
N1C5doub1.31Å1.37ÅAromatic
C4C5sing1.51Å1.47Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C4H43sing1.09Å1.10Å
C5C6sing1.39Å1.43ÅAromatic
C6C7doub1.37Å1.44ÅAromatic
C6H6sing1.08Å1.08Å
C7C8sing1.51Å1.56Å
C8O2sing1.43Å1.45Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C9O2sing1.36Å1.42Å
C9C10sing1.39Å1.42ÅAromatic
C9C14doub1.39Å1.44ÅAromatic
C10C11doub1.38Å1.42ÅAromatic
C10H10sing1.08Å1.08Å
C11C12sing1.38Å1.43ÅAromatic
C11H11sing1.08Å1.08Å
C12C13doub1.38Å1.42ÅAromatic
C12C16sing1.51Å1.51Å
C13C14sing1.38Å1.42ÅAromatic
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15C16sing1.55Å1.57Å
C15C19sing1.54Å1.55Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16C17sing1.53Å1.51Å
C16C18sing1.51Å1.54Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H173sing1.09Å1.10Å
C18O3doub1.21Å1.22Å
C18N3sing1.34Å1.35Å
C19N3sing1.47Å1.45Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C23C24sing1.51Å1.52Å
C23C25sing1.53Å1.54Å
C23N3sing1.47Å1.45Å
C23H23sing1.09Å1.10Å
C24N2sing1.35Å1.34Å
C24O4doub1.21Å1.23Å
N2O1sing1.42Å1.39Å
N2HN2sing0.97Å1.00Å
O1HO1sing0.97Å0.95Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25H253sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C20C22119.8°119.8°
C1C20H20120.1°120.1°
C20C1C2120.5°121.1°
C20C1H1119.7°119.5°
C22C20H20120.1°120.1°
C20C22C21120.1°119.1°
C20C22N1121.5°121.1°
C2C1H1119.8°119.4°
C1C2C3120.3°120.9°
C1C2H2119.8°119.6°
C3C2H2119.9°119.5°
C2C3C21120.5°119.6°
C2C3H3119.8°120.2°
C21C3H3119.8°120.2°
C3C21C22118.9°119.6°
C3C21C7120.9°121.4°
C22C21C7120.2°119.0°
C21C22N1118.4°119.9°
C21C7C6118.3°118.2°
C21C7C8119.4°120.9°
C22N1C5122.5°121.3°
N1C5C4119.6°119.1°
N1C5C6120.9°121.8°
C5C4H41109.4°109.5°
C5C4H42109.5°109.5°
C5C4H43109.5°109.5°
C4C5C6119.5°119.1°
H41C4H42109.5°109.5°
H41C4H43109.5°109.4°
H42C4H43109.5°109.5°
C5C6C7119.7°119.9°
C5C6H6120.2°120.1°
C7C6H6120.1°120.0°
C6C7C8122.3°120.9°
C7C8O2113.7°109.5°
C7C8H81107.1°109.4°
C7C8H82108.1°109.4°
O2C8H81107.1°109.5°
O2C8H82108.1°109.5°
C8O2C9116.6°106.8°
H81C8H82112.9°109.5°
O2C9C10118.6°120.0°
O2C9C14122.5°120.0°
C10C9C14118.8°119.9°
C9C10C11120.7°119.9°
C9C10H10119.6°120.1°
C9C14C13120.5°119.9°
C9C14H14119.8°120.1°
C11C10H10119.7°120.0°
C10C11C12120.2°120.1°
C10C11H11119.9°119.9°
C12C11H11119.9°120.0°
C11C12C13119.4°120.1°
C11C12C16120.5°120.0°
C13C12C16120.0°119.9°
C12C13C14120.3°120.0°
C12C13H13119.8°120.0°
C12C16C15111.4°110.5°
C12C16C17110.0°110.4°
C12C16C18109.6°110.5°
C14C13H13119.8°120.0°
C13C14H14119.8°120.0°
C16C15C19106.3°101.8°
C16C15H151111.2°111.0°
C16C15H152110.5°110.9°
C15C16C17114.2°110.5°
C15C16C18103.8°104.2°
C19C15H151111.2°111.0°
C19C15H152110.5°111.0°
C15C19N3104.0°105.5°
C15C19H191112.5°110.2°
C15C19H192111.3°110.2°
H151C15H152107.1°110.9°
C17C16C18107.5°110.7°
C16C17H171109.5°109.5°
C16C17H172109.5°109.5°
C16C17H173109.5°109.5°
C16C18O3125.9°124.9°
C16C18N3107.9°110.1°
H171C17H172109.5°109.5°
H171C17H173109.5°109.4°
H172C17H173109.5°109.5°
O3C18N3126.2°125.0°
C18N3C19116.1°111.3°
C18N3C23122.5°124.3°
N3C19H191112.5°110.2°
N3C19H192111.3°110.2°
C19N3C23121.2°124.4°
H191C19H192105.4°110.3°
C24C23C25111.2°109.5°
C24C23N3108.4°109.5°
C24C23H23109.1°109.5°
C23C24N2114.0°120.0°
C23C24O4120.7°120.0°
C25C23N3109.6°109.5°
C25C23H23107.8°109.5°
C23C25H251109.4°109.4°
C23C25H252109.5°109.5°
C23C25H253109.5°109.5°
N3C23H23110.8°109.4°
N2C24O4125.2°120.0°
C24N2O1118.8°120.0°
C24N2HN2120.6°120.0°
O1N2HN2120.6°120.0°
N2O1HO1109.5°106.8°
H251C25H252109.5°109.5°
H251C25H253109.4°109.4°
H252C25H253109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C20C22H20180.0°180.0°
C20C1C2H1180.0°180.0°
C20C1C2C30.1°0.0°
C20C1C2H2179.9°180.0°
C1C20C22C210.6°0.2°
C1C20C22N1179.8°180.0°
C22C20C1C20.3°0.1°
C22C20C1H1179.7°180.0°
C20C22C21C30.7°0.5°
C20C22C21N1179.3°179.8°
C20C22C21C7179.9°179.7°
C20C22N1C5179.9°179.9°
H20C20C1C2179.7°180.0°
H20C20C1H10.3°0.0°
H20C20C22C21179.4°179.8°
H20C20C22N10.2°0.1°
C1C2C3H2180.0°180.0°
C1C2C3C210.2°0.2°
C1C2C3H3179.9°180.0°
H1C1C2C3179.9°180.0°
H1C1C2H20.1°0.0°
C2C3C21H3180.0°179.8°
C2C3C21C220.4°0.5°
C2C3C21C7179.7°179.7°
H2C2C3C21179.9°179.7°
H2C2C3H30.1°0.0°
C3C21C22C7179.3°179.2°
C3C21C22N1179.9°179.7°
C3C21C7C6179.9°179.7°
C3C21C7C81.1°0.6°
H3C3C21C22179.6°179.7°
H3C3C21C70.3°0.6°
C21C22N1C50.8°0.2°
C22C21C7C60.7°0.5°
C22C21C7C8179.7°179.8°
C7C21C22N10.8°0.5°
C21C7C6C50.6°0.3°
C21C7C6C8179.0°179.7°
C21C7C6H6179.4°179.8°
C21C7C8O2166.8°179.7°
C21C7C8H8148.7°59.7°
C21C7C8H8273.2°60.3°
C22N1C5C4179.8°180.0°
C22N1C5C60.7°0.0°
N1C5C4C6179.5°180.0°
N1C5C4H4152.2°90.0°
N1C5C4H42172.2°30.0°
N1C5C4H4367.7°150.1°
N1C5C6C70.6°0.1°
N1C5C6H6179.4°180.0°
C5C4H41H42120.0°120.0°
C5C4H41H43120.0°120.0°
C5C4H42H43120.0°120.0°
C4C5C6C7180.0°180.0°
C4C5C6H60.0°0.1°
H41C4H42H43120.0°119.9°
H41C4C5C6127.2°90.0°
H42C4C5C67.2°150.0°
H43C4C5C6112.8°30.0°
C5C6C7H6180.0°179.9°
C5C6C7C8179.5°180.0°
C6C7C8O212.2°0.0°
C6C7C8H81130.3°120.0°
C6C7C8H82107.8°120.1°
H6C6C7C80.5°0.1°
C7C8O2H81118.1°120.0°
C7C8O2H82120.0°120.0°
C7C8H81H82118.8°119.9°
C7C8O2C979.6°180.0°
O2C8H81H82118.8°120.1°
C8O2C9C10178.0°180.0°
C8O2C9C141.4°0.0°
H81C8O2C938.5°60.0°
H82C8O2C9160.4°60.0°
O2C9C10C14179.4°180.0°
O2C9C10C11178.7°180.0°
O2C9C10H101.3°0.0°
O2C9C14C13178.6°179.7°
O2C9C14H141.4°0.0°
C9C10C11H10180.0°180.0°
C9C10C11C120.8°0.0°
C9C10C11H11179.2°180.0°
C10C9C14C130.8°0.3°
C10C9C14H14179.2°180.0°
C14C9C10C110.7°0.0°
C14C9C10H10179.3°180.0°
C9C14C13C120.9°0.5°
C9C14C13H14180.0°179.7°
C9C14C13H13179.1°179.9°
C10C11C12H11180.0°180.0°
C10C11C12C130.9°0.2°
C10C11C12C16178.1°180.0°
H10C10C11C12179.2°180.0°
H10C10C11H110.8°0.0°
C11C12C13C16179.0°179.8°
C11C12C13C140.9°0.5°
C11C12C13H13179.1°180.0°
C11C12C16C15139.4°114.7°
C11C12C16C1792.8°7.8°
C11C12C16C1825.1°130.6°
H11C11C12C13179.1°179.8°
H11C11C12C161.9°0.0°
C12C13C14H13180.0°179.5°
C12C13C14H14179.1°179.8°
C13C12C16C1539.6°65.1°
C13C12C16C1788.2°172.4°
C13C12C16C18153.9°49.6°
C16C12C13C14178.1°179.7°
C16C12C13H131.9°0.2°
C12C16C15C17125.4°122.5°
C12C16C15C18117.9°118.7°
C12C16C15C19109.5°143.6°
C12C16C15H151129.3°98.2°
C12C16C15H15210.5°25.5°
C12C16C17C18119.3°122.7°
C12C16C17H171119.4°62.6°
C12C16C17H172120.5°57.5°
C12C16C17H1730.5°177.5°
C12C16C18O376.1°45.1°
C12C16C18N3105.7°135.3°
H13C13C14H140.9°0.3°
C16C15C19H151121.2°118.2°
C16C15C19H152120.0°118.1°
C16C15H151H152120.9°123.8°
C15C16C17C18114.5°114.8°
C15C16C17H1716.7°59.9°
C15C16C17H172113.3°180.0°
C15C16C17H173126.7°59.9°
C15C16C18O3164.7°163.7°
C15C16C18N313.5°16.6°
C16C15C19N31.0°25.4°
C16C15C19H191123.0°93.6°
C16C15C19H192119.0°144.4°
C19C15H151H152120.8°123.8°
C19C15C16C17125.1°93.9°
C19C15C16C188.4°25.0°
C15C19N3C188.5°16.8°
C15C19N3H191122.0°119.0°
C15C19N3H192120.0°119.0°
C15C19H191H192121.5°122.0°
C15C19N3C23166.0°163.0°
H151C15C16C173.9°24.2°
H151C15C16C18112.8°143.1°
H151C15C19N3120.2°143.5°
H151C15C19H1911.8°24.5°
H151C15C19H192119.8°97.5°
H152C15C16C17114.9°148.0°
H152C15C16C18128.4°93.1°
H152C15C19N3121.0°92.7°
H152C15C19H191117.0°148.3°
H152C15C19H1921.0°26.3°
C16C17H171H172120.0°120.1°
C16C17H171H173120.0°119.9°
C16C17H172H173120.0°120.0°
C17C16C18O343.4°77.6°
C17C16C18N3134.8°102.1°
C18C16C17H171121.3°174.8°
C18C16C17H1721.2°65.2°
C18C16C17H173118.7°54.9°
C16C18O3N3177.9°179.7°
C16C18N3C1914.4°0.0°
C16C18N3C23160.0°179.7°
H171C17H172H173120.0°119.9°
O3C18N3C19163.8°179.7°
O3C18N3C2321.8°0.6°
C18N3C19C23174.4°179.8°
C18N3C19H191113.5°102.2°
C18N3C19H192128.5°135.7°
C18N3C23C2497.2°60.3°
C18N3C23C25141.3°59.7°
C18N3C23H2322.4°179.7°
N3C19H191H192121.4°122.0°
C19N3C23C2476.9°120.0°
C19N3C23C2544.7°120.0°
C19N3C23H23163.5°0.0°
H191C19N3C2372.0°78.0°
H192C19N3C2345.9°44.0°
C24C23C25N3119.8°120.0°
C24C23C25H23119.5°120.0°
C24C23N3H23119.6°120.0°
C23C24N2O4177.8°180.0°
C23C24N2O1178.7°180.0°
C23C24N2HN21.3°0.0°
C24C23C25H25191.8°60.0°
C24C23C25H25228.2°60.0°
C24C23C25H253148.2°180.0°
C25C23N3H23118.8°120.0°
C25C23C24N2122.8°60.0°
C25C23C24O459.3°120.0°
C23C25H251H252120.0°120.0°
C23C25H251H253120.0°120.0°
C23C25H252H253120.0°120.1°
N3C23C24N2116.7°180.0°
N3C23C24O461.2°0.0°
N3C23C25H25128.0°180.0°
N3C23C25H252148.0°60.0°
N3C23C25H25392.0°60.0°
H23C23C24N24.0°60.0°
H23C23C24O4178.1°120.0°
H23C23C25H251148.6°60.0°
H23C23C25H25291.4°180.0°
H23C23C25H25328.7°59.9°
C24N2O1HN2180.0°180.0°
C24N2O1HO144.0°180.0°
O4C24N2O10.9°0.0°
O4C24N2HN2179.1°180.0°
HN2N2O1HO1136.0°0.0°
H251C25H252H253120.0°119.9°

226262

PDB entries from 2024-10-16

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