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XWY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26C27doub1.36Å1.39ÅAromatic
C26C25sing1.39Å1.39ÅAromatic
C27C22sing1.41Å1.43ÅAromatic
C25C24doub1.36Å1.39ÅAromatic
C22C21doub1.40Å1.44ÅAromatic
C22C23sing1.42Å1.39ÅAromatic
C21C20sing1.36Å1.41ÅAromatic
C24C23sing1.40Å1.42ÅAromatic
C23C18doub1.42Å1.38ÅAromatic
C20C19doub1.39Å1.39ÅAromatic
C15C10sing1.53Å1.54Å
C11C10sing1.53Å1.52Å
C11O12sing1.43Å1.38Å
C18C19sing1.38Å1.42ÅAromatic
C18C17sing1.48Å1.54Å
C10N09sing1.47Å1.48Å
N16C17doub1.33Å1.35ÅAromatic
N16C08sing1.33Å1.33ÅAromatic
O12C13sing1.43Å1.39Å
C17N28sing1.33Å1.30ÅAromatic
N09C08sing1.39Å1.44Å
N09C14sing1.47Å1.46Å
C08C07doub1.40Å1.39ÅAromatic
C13C14sing1.53Å1.55Å
N28C06doub1.32Å1.31ÅAromatic
C07C06sing1.38Å1.39ÅAromatic
C06C03sing1.51Å1.53Å
O30S02doub1.42Å1.48Å
C29S02sing1.81Å1.81Å
S02C03sing1.81Å1.88Å
S02N01doub1.49Å1.52Å
C03C05sing1.53Å1.53Å
C03C04sing1.53Å1.50Å
C05C04sing1.53Å1.53Å
C10H101sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C15H153sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C20H201sing1.08Å1.08Å
C21H211sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C26H261sing1.08Å1.08Å
C04H041sing1.09Å1.10Å
C04H042sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C07H071sing1.08Å1.08Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C19H191sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
C29H292sing1.09Å1.10Å
C29H293sing1.09Å1.10Å
C29H291sing1.09Å1.10Å
N01H011sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C27C26C25119.9°120.9°
C26C27C22121.3°119.7°
C27C26H261120.1°119.5°
C26C27H271119.3°120.1°
C26C25C24121.0°121.0°
C25C26H261120.1°119.5°
C26C25H251119.5°119.5°
C27C22C21120.0°121.2°
C27C22C23117.0°119.3°
C22C27H271119.3°120.2°
C25C24C23118.1°119.7°
C25C24H241120.9°120.2°
C24C25H251119.5°119.5°
C21C22C23123.0°119.6°
C22C21C20118.4°120.0°
C22C21H211120.8°120.0°
C22C23C24122.6°119.5°
C22C23C18118.3°119.3°
C21C20C19117.7°121.2°
C21C20H201121.1°119.4°
C20C21H211120.8°120.0°
C24C23C18119.0°121.3°
C23C24H241120.9°120.1°
C23C18C19119.3°119.3°
C23C18C17122.9°120.4°
C20C19C18123.2°120.7°
C19C20H201121.1°119.4°
C20C19H191118.4°119.7°
C15C10C11111.3°109.5°
C15C10N09109.0°109.5°
C15C10H101107.6°109.5°
C10C15H152109.5°109.5°
C10C15H153109.5°109.4°
C10C15H151109.5°109.5°
C10C11O12111.5°109.3°
C11C10N09112.8°109.2°
C11C10H101107.8°109.6°
C10C11H111109.0°109.5°
C10C11H112108.9°109.5°
C11O12C13110.8°113.7°
O12C11H111108.9°109.5°
O12C11H112109.0°109.5°
C19C18C17117.5°120.3°
C18C19H191118.4°119.6°
C18C17N16123.1°119.2°
C18C17N28112.7°119.2°
C10N09C08118.1°110.9°
C10N09C14113.9°110.8°
N09C10H101108.3°109.5°
C17N16C08117.0°120.6°
N16C17N28123.7°121.6°
N16C08N09120.5°120.5°
N16C08C07122.0°119.1°
O12C13C14112.2°109.2°
O12C13H131108.8°109.5°
O12C13H132108.8°109.5°
C17N28C06120.7°120.9°
C08N09C14123.4°111.0°
N09C08C07117.5°120.5°
N09C14C13110.5°109.2°
N09C14H141109.2°109.6°
N09C14H142109.2°109.6°
C08C07C06116.1°118.5°
C08C07H071122.0°120.7°
C14C13H131108.8°109.6°
C14C13H132108.8°109.5°
C13C14H141109.2°109.5°
C13C14H142109.2°109.5°
N28C06C07120.4°119.3°
N28C06C03119.6°120.3°
C07C06C03120.0°120.3°
C06C07H071122.0°120.8°
C06C03S02108.1°115.6°
C06C03C05121.4°117.5°
C06C03C04133.1°117.5°
O30S02C29116.7°113.5°
O30S02C03110.2°113.5°
O30S02N01121.0°107.2°
C29S02C0393.9°107.2°
C29S02N01102.9°107.6°
S02C29H292109.5°109.4°
S02C29H293109.5°109.5°
S02C29H291109.5°109.5°
C03S02N01108.5°107.5°
S02C03C05116.0°117.5°
S02C03C04110.9°117.5°
S02N01H011112.0°120.0°
C05C03C0460.5°60.0°
C03C05C0458.7°60.0°
C03C05H052120.2°117.5°
C03C05H051120.2°117.5°
C03C04C0560.8°60.0°
C03C04H041119.9°117.5°
C03C04H042119.9°117.5°
C05C04H041119.8°117.5°
C05C04H042119.9°117.6°
C04C05H052120.2°117.5°
C04C05H051120.2°117.5°
H131C13H132109.5°109.5°
H152C15H153109.5°109.5°
H152C15H151109.5°109.5°
H153C15H151109.5°109.5°
H041C04H042109.5°115.5°
H052C05H051109.5°115.5°
H111C11H112109.5°109.5°
H141C14H142109.5°109.5°
H292C29H293109.5°109.5°
H292C29H291109.5°109.5°
H293C29H291109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C27C26C25H261180.0°179.9°
C26C27C22H271180.0°179.9°
C27C26C25C241.8°0.1°
C26C27C22C21179.2°180.0°
C26C27C22C231.8°0.1°
C27C26C25H251178.2°179.9°
C25C26C27C220.2°0.1°
C26C25C24H251180.0°180.0°
C26C25C24C231.2°0.1°
C26C25C24H241178.7°180.0°
C25C26C27H271179.8°180.0°
C27C22C21C23178.9°180.0°
C27C22C21C20178.4°180.0°
C27C22C23C242.3°0.1°
C27C22C23C18178.9°179.8°
C27C22C21H2111.6°0.0°
C22C27C26H261179.8°180.0°
C25C24C23C220.9°0.1°
C25C24C23H241180.0°179.9°
C25C24C23C18177.5°179.8°
C24C25C26H261178.2°180.0°
C22C21C20H211180.0°179.9°
C21C22C23C24178.7°180.0°
C21C22C23C182.1°0.2°
C22C21C20C191.8°0.1°
C22C21C20H201178.2°179.7°
C21C22C27H2710.8°0.0°
C23C22C21C200.5°0.1°
C22C23C24C18176.6°179.9°
C22C23C18C193.3°0.4°
C22C23C18C17177.9°179.9°
C23C22C21H211179.5°180.0°
C22C23C24H241179.1°180.0°
C23C22C27H271178.2°180.0°
C21C20C19H201180.0°179.8°
C21C20C19C180.5°0.2°
C21C20C19H191179.5°179.8°
C24C23C18C19180.0°179.7°
C24C23C18C175.4°0.2°
C23C24C25H251178.8°179.9°
C23C18C19C202.1°0.5°
C23C18C19C17174.9°179.5°
C23C18C17N1635.3°136.1°
C23C18C17N28153.3°44.2°
C18C23C24H2412.5°0.1°
C23C18C19H191177.9°179.5°
C20C19C18H191180.0°180.0°
C20C19C18C17177.0°180.0°
C19C20C21H211178.2°180.0°
C15C10C11N09122.8°119.9°
C15C10C11H101117.7°120.1°
C15C10C11O1271.2°63.1°
C15C10N09H101116.8°120.1°
C15C10N09C0876.3°62.4°
C15C10N09C1480.4°61.3°
C10C15H152H153120.0°120.0°
C10C15H152H151120.0°120.0°
C10C15H153H151120.0°120.0°
C15C10C11H11149.1°56.8°
C15C10C11H112168.5°177.0°
C10C11O12H111120.3°120.0°
C10C11O12H112120.3°120.0°
C11C10N09H101119.2°120.0°
C10C11O12C1361.3°58.7°
C11C10N09C08159.7°177.6°
C11C10N09C1443.7°58.6°
C11C10C15H152180.0°174.1°
C11C10C15H15360.0°65.9°
C11C10C15H15160.0°54.1°
C10C11H111H112119.1°120.2°
O12C11C10N0951.5°56.8°
C11O12C13C1462.7°58.7°
O12C11C10H101171.0°176.8°
C11O12C13H131177.0°61.3°
C11O12C13H13257.7°178.6°
O12C11H111H112119.1°120.0°
C19C18C17N16139.4°43.4°
C19C18C17N2832.1°136.3°
C18C19C20H201179.5°180.0°
C18C17N16N28170.5°179.7°
C18C17N16C08174.5°179.7°
C18C17N28C06174.9°180.0°
C17C18C19H1913.1°0.0°
C10N09C08N1617.4°22.2°
C10N09C08C14154.3°123.6°
C10N09C08C07163.6°157.1°
C10N09C14C1343.5°58.7°
N09C10C15H15255.1°54.4°
N09C10C15H153175.1°174.4°
N09C10C15H15165.0°65.6°
N09C10C11H111171.9°176.7°
N09C10C11H11268.8°63.1°
C10N09C14H141163.7°61.3°
C10N09C14H14276.6°178.6°
C17N16C08N09176.7°179.8°
C17N16C08C072.2°0.5°
N16C17N28C063.5°0.3°
C08N16C17N284.0°0.1°
N16C08N09C07178.9°179.3°
N16C08N09C14171.8°145.8°
N16C08C07C060.0°0.7°
N16C08C07H071180.0°179.8°
O12C13C14N0953.0°56.9°
O12C13C14H131120.4°119.9°
O12C13C14H132120.4°119.9°
O12C13H131H132118.8°120.1°
C13O12C11H111178.4°178.6°
C13O12C11H11259.0°61.3°
O12C13C14H141173.2°63.1°
O12C13C14H14267.1°176.9°
C17N28C06C071.0°0.1°
C17N28C06C03180.0°179.9°
C08N09C14C13161.2°177.6°
N09C08C07C06178.9°180.0°
C08N09C10H10140.5°57.7°
N09C08C07H0711.1°0.5°
C08N09C14H14141.0°62.4°
C08N09C14H14278.7°57.7°
C14N09C08C079.3°33.5°
N09C14C13H141120.2°120.0°
N09C14C13H142120.1°120.0°
C14N09C10H101162.8°178.6°
N09C14C13H131173.4°63.0°
N09C14C13H13267.4°176.8°
N09C14H141H142119.5°120.2°
C08C07C06N280.6°0.5°
C08C07C06H071180.0°179.4°
C08C07C06C03178.4°179.5°
C14C13H131H132118.8°120.1°
C13C14H141H142119.5°120.0°
N28C06C07C03179.0°180.0°
N28C06C03S0245.1°149.6°
N28C06C03C0592.6°64.7°
N28C06C03C04169.9°4.0°
N28C06C07H071179.4°179.9°
C07C06C03S02133.9°30.4°
C07C06C03C0588.4°115.3°
C07C06C03C0411.1°176.0°
C06C03S02O3034.8°35.4°
C06C03S02C2985.6°90.8°
C06C03S02C05140.2°145.7°
C06C03S02C04153.4°145.7°
C06C03S02N01169.5°153.9°
C06C03C05C04125.0°107.5°
C06C03C04H041143.5°145.1°
C06C03C04H0422.9°0.1°
C06C03C05H05215.9°0.0°
C06C03C05H051125.8°145.0°
C03C06C07H0711.6°0.1°
O30S02C29C03115.0°126.2°
O30S02C29N01135.0°118.5°
O30S02C03N01134.6°118.5°
O30S02C03C05175.0°178.9°
O30S02C03C04118.6°110.3°
O30S02C29H292180.0°58.7°
O30S02C29H29360.0°178.6°
O30S02C29H29160.0°61.3°
O30S02N01H0110.0°120.0°
C29S02C03N01105.0°115.4°
C29S02C03C0554.7°54.9°
C29S02C03C04121.1°123.6°
S02C29H292H293120.0°119.9°
S02C29H292H291120.0°120.0°
S02C29H293H291120.0°120.1°
C29S02N01H011132.6°2.5°
S02C03C05C04100.4°107.5°
S02C03C04H0410.8°0.0°
S02C03C04H042141.4°145.0°
S02C03C05H052150.5°145.0°
S02C03C05H0518.7°0.0°
C03S02C29H29265.1°175.1°
C03S02C29H29355.0°55.2°
C03S02C29H291174.9°64.9°
C03S02N01H011128.8°117.6°
N01S02C03C0550.3°60.4°
N01S02C03C0416.1°8.2°
N01S02C29H29244.9°59.8°
N01S02C29H293164.9°60.2°
N01S02C29H29175.1°179.8°
C03C05C04H052109.1°107.6°
C03C05C04H051109.1°107.5°
C05C03C04H041109.7°107.5°
C05C03C04H042109.7°107.5°
C03C05H052H051145.4°145.7°
C03C04H041H042144.3°145.7°
C05C04H041H042144.3°145.7°
C04C05H052H051145.5°145.6°
H101C10C15H15262.2°65.7°
H101C10C15H15357.8°54.3°
H101C10C15H151177.8°174.3°
H101C10C11H11168.6°63.3°
H101C10C11H11250.7°56.9°
H131C13C14H14166.4°177.0°
H131C13C14H14253.3°57.0°
H132C13C14H14152.8°56.8°
H132C13C14H142172.5°63.2°
H152C15H153H151120.0°120.0°
H201C20C21H2111.8°0.2°
H201C20C19H1910.5°0.0°
H241C24C25H2511.2°0.0°
H261C26C25H2511.8°0.0°
H261C26C27H2710.2°0.0°
H041C04C05H052141.2°145.0°
H041C04C05H0510.6°0.1°
H042C04C05H0520.6°0.1°
H042C04C05H051141.2°145.0°
H292C29H293H291120.0°120.0°

223790

PDB entries from 2024-08-14

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