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WBG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11O10sing1.43Å1.36Å
O10C07sing1.36Å1.36Å
C07C08doub1.39Å1.39ÅAromatic
C07C06sing1.39Å1.37ÅAromatic
C08C09sing1.38Å1.39ÅAromatic
C06C05doub1.38Å1.38ÅAromatic
C09C04doub1.39Å1.38ÅAromatic
C19C18doub1.38Å1.39ÅAromatic
C19C14sing1.39Å1.39ÅAromatic
C18C17sing1.39Å1.41ÅAromatic
C05C04sing1.39Å1.40ÅAromatic
C04C03sing1.48Å1.45Å
N13C14sing1.39Å1.40Å
N13C12sing1.37Å1.38Å
C14N15doub1.32Å1.34ÅAromatic
C17C16doub1.38Å1.37ÅAromatic
C03C12doub1.39Å1.35Å
C03C02sing1.41Å1.47Å
C12N20sing1.37Å1.38Å
N15C16sing1.32Å1.35ÅAromatic
O01C02doub1.22Å1.22Å
C02N37sing1.35Å1.43Å
N20C21sing1.38Å1.36Å
N37C21sing1.36Å1.38ÅAromatic
N37N36sing1.40Å1.36ÅAromatic
C21C22doub1.39Å1.39ÅAromatic
N36C29doub1.31Å1.36ÅAromatic
C22C29sing1.42Å1.43ÅAromatic
C22C23sing1.47Å1.47Å
C24C23doub1.31Å1.34Å
C24C25sing1.50Å1.47Å
C29C30sing1.48Å1.45Å
C23C28sing1.50Å1.50Å
C25C26sing1.53Å1.54Å
C30C35doub1.39Å1.37ÅAromatic
C30C31sing1.39Å1.40ÅAromatic
C28C27sing1.53Å1.50Å
C26C27sing1.53Å1.50Å
C35C34sing1.38Å1.38ÅAromatic
C31C32doub1.38Å1.40ÅAromatic
C34C33doub1.38Å1.39ÅAromatic
C32C33sing1.38Å1.38ÅAromatic
C17H171sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C26H262sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C28H281sing1.09Å1.10Å
C05H051sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C09H091sing1.08Å1.08Å
C11H112sing1.09Å1.10Å
C11H113sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C16H161sing1.08Å1.08Å
C18H181sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C31H311sing1.08Å1.08Å
C32H321sing1.08Å1.08Å
C33H331sing1.08Å1.08Å
C34H341sing1.08Å1.08Å
C35H351sing1.08Å1.08Å
N13H131sing0.97Å1.00Å
N20H201sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11O10C07117.9°117.0°
O10C11H112109.5°109.5°
O10C11H113109.5°109.5°
O10C11H111109.4°109.5°
O10C07C08121.8°119.9°
O10C07C06117.8°119.9°
C08C07C06120.4°120.1°
C07C08C09119.1°120.1°
C07C08H081120.5°120.0°
C07C06C05119.6°120.1°
C07C06H061120.2°119.9°
C08C09C04122.0°119.9°
C09C08H081120.4°119.9°
C08C09H091119.0°120.0°
C06C05C04122.0°119.9°
C06C05H051119.0°120.0°
C05C06H061120.2°120.0°
C09C04C05116.9°119.8°
C09C04C03125.4°120.0°
C04C09H091119.0°120.1°
C18C19C14118.0°119.1°
C19C18C17119.9°118.5°
C19C18H181120.1°120.7°
C18C19H191121.0°120.4°
C19C14N13118.1°119.7°
C19C14N15122.4°120.6°
C14C19H191121.0°120.5°
C18C17C16117.6°119.3°
C18C17H171121.2°120.3°
C17C18H181120.0°120.8°
C05C04C03117.6°120.1°
C04C05H051119.0°120.0°
C04C03C12127.1°120.3°
C04C03C02114.2°120.3°
C14N13C12131.4°120.0°
N13C14N15119.5°119.7°
C14N13H131114.3°120.0°
N13C12C03124.0°120.4°
N13C12N20113.0°120.3°
C12N13H131114.3°119.9°
C14N15C16119.0°121.7°
C17C16N15123.0°120.8°
C16C17H171121.2°120.3°
C17C16H161118.5°119.6°
C12C03C02118.4°119.3°
C03C12N20123.0°119.3°
C03C02O01127.0°120.0°
C03C02N37115.0°120.0°
C12N20C21122.3°120.2°
C12N20H201118.9°119.9°
N15C16H161118.5°119.6°
O01C02N37117.9°120.0°
C02N37C21124.6°120.4°
C02N37N36124.0°131.5°
N20C21N37116.7°120.8°
N20C21C22135.8°131.8°
C21N20H201118.9°119.9°
C21N37N36111.4°108.1°
N37C21C22107.5°107.4°
N37N36C29105.6°109.1°
C21C22C29104.8°107.1°
C21C22C23128.4°126.4°
N36C29C22110.6°108.2°
N36C29C30117.0°125.9°
C29C22C23126.8°126.4°
C22C29C30132.3°125.9°
C22C23C24119.6°118.1°
C22C23C28120.5°118.1°
C23C24C25124.6°123.8°
C24C23C28119.6°123.8°
C23C24H241117.7°118.1°
C24C25C26115.2°110.1°
C25C24H241117.6°118.0°
C24C25H251108.0°109.4°
C24C25H252108.0°109.4°
C29C30C35123.4°120.1°
C29C30C31118.7°120.2°
C23C28C27116.4°110.2°
C23C28H282107.7°109.4°
C23C28H281107.7°109.3°
C25C26C27111.4°108.5°
C25C26H262109.0°109.6°
C25C26H261109.0°109.8°
C26C25H251108.0°109.3°
C26C25H252108.1°109.4°
C35C30C31117.9°119.7°
C30C35C34121.2°119.9°
C30C35H351119.4°120.0°
C30C31C32121.0°119.9°
C30C31H311119.5°120.1°
C28C27C26113.2°108.5°
C27C28H282107.7°109.4°
C27C28H281107.7°109.3°
C28C27H271108.5°109.6°
C28C27H272108.5°109.7°
C27C26H262109.0°109.6°
C27C26H261109.0°109.7°
C26C27H271108.5°109.6°
C26C27H272108.5°109.6°
C35C34C33121.2°120.2°
C35C34H341119.4°119.9°
C34C35H351119.4°120.1°
C31C32C33120.2°120.1°
C32C31H311119.5°120.0°
C31C32H321119.9°120.0°
C34C33C32118.5°120.2°
C34C33H331120.8°119.9°
C33C34H341119.4°119.9°
C33C32H321119.9°119.9°
C32C33H331120.8°119.9°
H262C26H261109.5°109.6°
H282C28H281109.5°109.3°
H112C11H113109.5°109.4°
H112C11H111109.4°109.5°
H113C11H111109.5°109.4°
H251C25H252109.5°109.2°
H271C27H272109.5°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11O10C07C083.4°180.0°
C11O10C07C06176.4°0.2°
O10C11H112H113120.0°120.1°
O10C11H112H111120.0°120.0°
O10C11H113H111120.0°120.0°
O10C07C08C06179.8°179.8°
O10C07C08C09179.8°180.0°
O10C07C06C05179.3°179.7°
O10C07C06H0610.6°0.2°
O10C07C08H0810.2°0.2°
C07O10C11H112180.0°179.9°
C07O10C11H11360.0°59.9°
C07O10C11H11160.0°60.0°
C07C08C09H081180.0°179.8°
C08C07C06C050.4°0.1°
C07C08C09C040.7°0.5°
C08C07C06H061179.6°180.0°
C07C08C09H091179.3°180.0°
C06C07C08C090.1°0.2°
C07C06C05H061180.0°179.9°
C07C06C05C041.8°0.1°
C07C06C05H051178.2°179.9°
C06C07C08H081179.9°180.0°
C08C09C04H091180.0°179.5°
C08C09C04C051.9°0.5°
C08C09C04C03176.9°179.8°
C06C05C04C092.5°0.2°
C06C05C04H051180.0°180.0°
C06C05C04C03177.8°180.0°
C09C04C05C03175.4°179.7°
C09C04C03C1266.3°65.3°
C09C04C03C02119.6°114.8°
C09C04C05H051177.5°179.8°
C04C09C08H081179.3°179.7°
C18C19C14H191180.0°179.9°
C19C18C17H181180.0°179.9°
C18C19C14N13178.7°179.7°
C18C19C14N151.5°0.2°
C19C18C17C161.5°0.0°
C19C18C17H171178.5°179.7°
C14C19C18C170.6°0.0°
C19C14N13N15177.4°179.5°
C19C14N13C12174.9°172.7°
C19C14N15C162.7°0.5°
C14C19C18H181179.4°180.0°
C19C14N13H1315.1°7.3°
C18C17C16H171180.0°179.7°
C18C17C16N150.3°0.3°
C18C17C16H161179.7°179.7°
C17C18C19H191179.3°180.0°
C05C04C03C12108.6°115.0°
C05C04C03C0265.5°64.9°
C04C05C06H061178.3°180.0°
C05C04C09H091178.1°180.0°
C04C03C12N136.0°0.1°
C04C03C12C02173.9°179.9°
C04C03C12N20175.9°179.9°
C04C03C02O017.1°0.0°
C04C03C02N37176.4°180.0°
C03C04C05H0512.2°0.0°
C03C04C09H0913.1°0.3°
C14N13C12H131180.0°180.0°
C14N13C12C03176.4°173.2°
C14N13C12N201.8°6.8°
N13C14N15C16179.9°180.0°
N13C14C19H1911.3°0.2°
C12N13C14N157.8°7.8°
N13C12C03N20178.0°180.0°
N13C12C03C02179.9°180.0°
N13C12N20C21179.6°179.8°
N13C12N20H2010.5°0.1°
C14N15C16C171.7°0.5°
C14N15C16H161178.3°179.5°
N15C14C19H191178.5°179.7°
N15C14N13H131172.2°172.2°
C17C16N15H161180.0°180.0°
C16C17C18H181178.5°180.0°
C12C03C02O01178.2°179.9°
C12C03C02N371.8°0.2°
C03C12N20C211.3°0.2°
C03C12N13H1313.6°6.8°
C03C12N20H201178.7°179.9°
C02C03C12N202.1°0.1°
C03C02O01N37176.3°179.9°
C03C02N37C210.9°0.0°
C03C02N37N36179.5°179.4°
C12N20C21H201180.0°179.9°
C12N20C21N370.3°0.3°
C12N20C21C22180.0°179.9°
N20C12N13H131178.2°173.1°
N15C16C17H171179.7°180.0°
O01C02N37C21177.7°180.0°
O01C02N37N362.7°0.5°
C02N37C21N200.2°0.2°
C02N37C21N36179.7°179.6°
C02N37C21C22180.0°180.0°
C02N37N36C29178.8°179.9°
N20C21N37C22179.8°179.8°
N20C21N37N36179.9°179.8°
N20C21C22C29178.9°180.0°
N20C21C22C231.5°0.0°
C21N37N36C290.9°0.4°
N37C21C22C291.4°0.3°
N37C21C22C23178.8°179.7°
N37C21N20H201179.7°179.8°
N36N37C21C220.4°0.4°
N37N36C29C221.8°0.3°
N37N36C29C30179.2°179.7°
C21C22C29N362.0°0.0°
C21C22C29C23177.5°180.0°
C21C22C23C2431.2°94.3°
C21C22C29C30178.9°180.0°
C21C22C23C28143.1°85.6°
C22C21N20H2010.0°0.1°
N36C29C22C30177.0°180.0°
N36C29C22C23179.5°180.0°
N36C29C30C3567.0°40.6°
N36C29C30C31112.8°139.6°
C29C22C23C24145.7°85.7°
C29C22C23C2840.0°94.3°
C22C29C30C35109.8°139.4°
C22C29C30C3170.4°40.4°
C22C23C24C28174.4°180.0°
C22C23C24C25172.0°179.6°
C23C22C29C303.6°0.0°
C22C23C28C27172.8°162.8°
C22C23C24H2418.0°0.1°
C22C23C28H28266.3°76.9°
C22C23C28H28151.8°42.7°
C23C24C25H241180.0°179.7°
C23C24C25C2610.1°17.2°
C24C23C28C2712.9°17.2°
C24C23C28H282108.1°103.1°
C24C23C28H281133.9°137.3°
C23C24C25H251110.8°103.0°
C23C24C25H252130.9°137.4°
C25C24C23C282.4°0.4°
C24C25C26H251120.8°120.2°
C24C25C26H252120.9°120.2°
C24C25C26C2736.6°49.7°
C24C25C26H262156.9°169.4°
C24C25C26H26183.7°70.1°
C24C25H251H252117.4°119.7°
C29C30C35C31179.8°179.8°
C29C30C35C34179.7°179.6°
C29C30C31C32178.9°180.0°
C29C30C31H3111.0°0.0°
C29C30C35H3510.3°0.0°
C23C28C27H282121.0°120.3°
C23C28C27H281121.0°120.1°
C23C28C27C2640.5°49.7°
C28C23C24H241177.6°179.8°
C23C28H282H281116.9°119.6°
C23C28C27H271161.1°69.9°
C23C28C27H27280.1°169.4°
C25C26C27C2851.4°68.0°
C25C26C27H262120.3°119.7°
C25C26C27H261120.3°119.9°
C26C25C24H241169.9°163.1°
C25C26H262H261119.1°120.5°
C26C25H251H252117.4°119.7°
C25C26C27H271172.0°51.7°
C25C26C27H27269.2°172.3°
C30C35C34H351180.0°179.7°
C35C30C31C321.2°0.3°
C30C35C34C330.1°0.7°
C35C30C31H311178.8°179.8°
C30C35C34H341179.9°179.7°
C31C30C35C340.4°0.6°
C30C31C32H311180.0°180.0°
C30C31C32C331.7°0.0°
C30C31C32H321178.3°180.0°
C31C30C35H351179.5°179.7°
C28C27C26H271120.6°119.6°
C28C27C26H272120.5°119.7°
C28C27C26H262171.7°172.3°
C28C27C26H26168.9°52.0°
C27C28H282H281116.9°119.7°
C28C27H271H272118.3°120.6°
C27C26H262H261119.1°120.4°
C26C27C28H28280.5°70.5°
C26C27C28H281161.5°169.8°
C27C26C25H25184.3°70.5°
C27C26C25H252157.4°169.9°
C26C27H271H272118.3°120.5°
C35C34C33H341180.0°179.6°
C35C34C33C320.6°0.4°
C35C34C33H331179.4°179.7°
C31C32C33C341.3°0.1°
C31C32C33H321180.0°180.0°
C31C32C33H331178.6°179.9°
C34C33C32H331180.0°179.9°
C34C33C32H321178.7°179.9°
C33C34C35H351179.9°179.7°
C33C32C31H311178.3°180.0°
C32C33C34H341179.4°180.0°
H171C17C16H1610.3°0.0°
H171C17C18H1811.5°0.3°
H241C24C25H25169.2°76.7°
H241C24C25H25249.1°42.9°
H262C26C25H25136.0°49.2°
H262C26C25H25282.3°70.3°
H262C26C27H27167.7°68.0°
H262C26C27H27251.1°52.6°
H261C26C25H251155.4°169.7°
H261C26C25H25237.1°50.1°
H261C26C27H27151.7°171.6°
H261C26C27H272170.6°67.8°
H282C28C27H27140.1°169.8°
H282C28C27H272158.9°49.1°
H281C28C27H27177.9°50.2°
H281C28C27H27240.9°70.5°
H051C05C06H0611.7°0.0°
H081C08C09H0910.7°0.2°
H112C11H113H111120.0°120.0°
H181C18C19H1910.6°0.1°
H311C31C32H3211.7°0.0°
H321C32C33H3311.3°0.1°
H331C33C34H3410.6°0.1°
H341C34C35H3510.2°0.0°

222415

PDB entries from 2024-07-10

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