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AV3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C18sing1.53Å1.52Å
C17N04sing1.47Å1.47Å
C20N04sing1.49Å1.48Å
C20C25sing1.55Å1.53Å
C18C22sing1.53Å1.53Å
C22O02sing1.43Å1.42Å
N03C14doub1.31Å1.34ÅAromatic
N03C06sing1.34Å1.35ÅAromatic
C14N02sing1.32Å1.33ÅAromatic
N04C21sing1.48Å1.48Å
C25C24sing1.55Å1.53Å
C11C06sing1.40Å1.38ÅAromatic
C11C13doub1.37Å1.38ÅAromatic
C06C02doub1.42Å1.38ÅAromatic
N02C03doub1.33Å1.34ÅAromatic
O02C13sing1.36Å1.37Å
C13C12sing1.40Å1.40ÅAromatic
C02C03sing1.41Å1.39ÅAromatic
C02C08sing1.40Å1.40ÅAromatic
C21C24sing1.54Å1.54Å
C03O01sing1.35Å1.34Å
F01C05sing1.35Å1.33Å
C12C08doub1.37Å1.40ÅAromatic
C12O03sing1.36Å1.38Å
O01C09sing1.36Å1.37Å
C05C09doub1.39Å1.41ÅAromatic
C05C01sing1.37Å1.40ÅAromatic
O03C23sing1.43Å1.43Å
C09C16sing1.39Å1.39ÅAromatic
C01C07sing1.51Å1.45Å
C01C04doub1.40Å1.38ÅAromatic
C07C10sing1.52Å1.41Å
C16C15doub1.38Å1.38ÅAromatic
C04C15sing1.40Å1.41ÅAromatic
C04N01sing1.37Å1.37Å
C10C19sing1.51Å1.51Å
C10N01doub1.28Å1.35Å
C07H1sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
C08H081sing1.08Å1.08Å
C11H111sing1.08Å1.08Å
C14H141sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C16H161sing1.08Å1.08Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C17N04109.3°109.4°
C17C18C22113.6°109.5°
C18C17H171109.5°109.4°
C18C17H172109.5°109.5°
C17C18H182108.4°109.5°
C17C18H181108.4°109.5°
C17N04C20109.8°111.0°
C17N04C21111.0°111.0°
N04C17H171109.6°109.5°
N04C17H172109.5°109.5°
N04C20C25107.2°103.2°
C20N04C21109.8°105.8°
N04C20H201110.0°110.7°
N04C20H202110.0°110.7°
C20C25C24106.6°102.9°
C25C20H201110.0°110.7°
C25C20H202110.0°110.7°
C20C25H252110.2°110.7°
C20C25H251110.2°110.7°
C18C22O02104.9°109.4°
C22C18H182108.4°109.5°
C22C18H181108.4°109.4°
C18C22H221110.6°109.5°
C18C22H222110.6°109.4°
C22O02C13123.4°117.0°
O02C22H221110.6°109.5°
O02C22H222110.6°109.5°
C14N03C06120.8°120.4°
N03C14N02120.1°123.0°
N03C14H141120.0°118.5°
N03C06C11118.3°121.9°
N03C06C02120.4°118.7°
C14N02C03121.5°121.5°
N02C14H141120.0°118.5°
N04C21C24106.2°107.1°
N04C21H212110.3°109.9°
N04C21H211110.3°110.1°
C25C24C21105.4°105.1°
C25C24H241110.5°110.3°
C25C24H242110.5°110.4°
C24C25H252110.2°110.8°
C24C25H251110.2°110.7°
C06C11C13120.1°119.7°
C11C06C02121.3°119.4°
C06C11H111119.9°120.2°
C11C13O02115.8°119.6°
C11C13C12119.8°120.9°
C13C11H111120.0°120.2°
C06C02C03117.5°118.2°
C06C02C08119.2°119.8°
N02C03C02119.8°118.2°
N02C03O01115.0°120.9°
O02C13C12124.3°119.6°
C13C12C08120.1°120.7°
C13C12O03122.0°119.6°
C03C02C08123.4°122.0°
C02C03O01125.2°120.9°
C02C08C12119.5°119.6°
C02C08H081120.2°120.2°
C24C21H212110.3°109.9°
C24C21H211110.3°110.0°
C21C24H241110.5°110.3°
C21C24H242110.5°110.4°
C03O01C09115.2°118.0°
F01C05C09121.3°120.1°
F01C05C01118.1°120.1°
C08C12O03117.9°119.7°
C12C08H081120.3°120.2°
C12O03C23122.5°117.0°
O01C09C05123.0°120.1°
O01C09C16116.9°120.1°
C09C05C01120.6°119.8°
C05C09C16120.1°119.8°
C05C01C07131.5°133.8°
C05C01C04118.1°121.0°
O03C23H231109.5°109.4°
O03C23H233109.5°109.5°
O03C23H232109.5°109.5°
C09C16C15119.4°120.5°
C09C16H161120.3°119.8°
C07C01C04110.4°105.1°
C01C07C10101.7°103.1°
C01C07H1111.3°110.7°
C01C07H071111.4°110.7°
C01C04C15121.6°118.7°
C01C04N01106.7°109.9°
C07C10C19117.2°126.1°
C07C10N01111.4°107.7°
C10C07H1111.4°110.6°
C10C07H071111.3°110.7°
C16C15C04120.2°120.1°
C16C15H151119.9°119.9°
C15C16H161120.3°119.7°
C15C04N01131.7°131.3°
C04C15H151119.9°119.9°
C04N01C10109.7°114.1°
C19C10N01131.4°126.1°
C10C19H193109.5°109.5°
C10C19H192109.5°109.5°
C10C19H191109.5°109.5°
H1C07H071109.5°110.7°
H171C17H172109.5°109.5°
H182C18H181109.5°109.4°
H193C19H192109.4°109.5°
H193C19H191109.5°109.5°
H192C19H191109.5°109.5°
H201C20H202109.5°110.7°
H212C21H211109.5°109.9°
H221C22H222109.5°109.5°
H231C23H233109.5°109.5°
H231C23H232109.5°109.5°
H233C23H232109.4°109.5°
H241C24H242109.5°110.3°
H252C25H251109.5°110.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C17N04H171120.0°119.9°
C18C17N04H172119.9°120.0°
C18C17N04C20157.0°169.9°
C17C18C22H182120.6°120.1°
C17C18C22H181120.6°120.0°
C17C18C22O02123.2°179.9°
C18C17N04C2181.5°72.7°
C18C17H171H172120.1°119.9°
C17C18H182H181118.1°120.0°
C17C18C22H2213.9°60.0°
C17C18C22H222117.5°60.0°
C17N04C20C21122.3°120.5°
C17N04C20C25129.9°159.7°
N04C17C18C22132.0°180.0°
C17N04C21C24140.4°145.8°
N04C17H171H172120.1°120.1°
N04C17C18H182107.4°60.0°
N04C17C18H18111.4°60.0°
C17N04C20H201110.5°41.3°
C17N04C20H20210.2°81.8°
C17N04C21H21220.9°94.9°
C17N04C21H211100.1°26.3°
N04C20C25H201119.6°118.4°
N04C20C25H202119.6°118.5°
N04C20C25C246.7°37.4°
C20N04C21C2418.8°25.4°
C20N04C17H17137.0°50.0°
C20N04C17H17283.1°70.0°
N04C20H201H202121.0°123.2°
C20N04C21H212100.7°144.7°
C20N04C21H211138.3°94.2°
N04C20C25H252126.3°81.0°
N04C20C25H251112.8°155.7°
C25C20N04C217.6°39.2°
C20C25C24H252119.5°118.4°
C20C25C24H251119.5°118.3°
C20C25C24C2117.8°21.9°
C25C20H201H202121.1°123.1°
C20C25C24H241101.6°96.9°
C20C25C24H242137.1°140.9°
C20C25H252H251121.3°123.2°
C18C22O02H221119.3°120.0°
C18C22O02H222119.2°120.0°
C18C22O02C13106.0°180.0°
C22C18C17H171108.0°60.0°
C22C18C17H17212.0°59.9°
C22C18H182H181118.1°119.9°
C18C22H221H222122.1°120.0°
C22O02C13C1142.2°0.0°
C22O02C13C12140.1°179.8°
O02C22C18H182116.2°60.0°
O02C22C18H1812.6°60.0°
O02C22H221H222122.1°120.1°
N03C14N02H141180.0°179.5°
C14N03C06C11179.6°179.5°
C14N03C06C020.1°0.5°
N03C14N02C030.9°0.6°
C06N03C14N020.6°0.8°
N03C06C11C02179.5°180.0°
N03C06C11C13179.5°179.9°
N03C06C02C030.1°0.0°
N03C06C02C08179.8°179.8°
N03C06C11H1110.5°0.0°
C06N03C14H141179.4°179.7°
C14N02C03C020.7°0.1°
C14N02C03O01179.3°180.0°
N04C21C24C2522.4°1.2°
N04C21C24H212119.5°119.3°
N04C21C24H211119.5°119.6°
C21N04C17H171158.5°167.4°
C21N04C17H17238.4°47.3°
C21N04C20H201127.3°79.2°
C21N04C20H202112.0°157.6°
N04C21H212H211121.5°121.3°
N04C21C24H24197.0°120.1°
N04C21C24H242141.7°117.7°
C25C24C21H241119.4°118.9°
C25C24C21H242119.4°119.0°
C24C25C20H201112.9°81.0°
C24C25C20H202126.4°155.9°
C25C24C21H21297.1°120.6°
C25C24C21H211141.9°118.4°
C25C24H241H242121.9°122.2°
C24C25H252H251121.4°123.2°
C06C11C13H111180.0°179.9°
C06C11C13O02179.3°180.0°
C06C11C13C121.4°0.2°
C11C06C02C03179.5°180.0°
C11C06C02C080.6°0.2°
C13C11C06C021.0°0.0°
C11C13O02C12177.7°179.8°
C11C13C12C081.6°0.2°
C11C13C12O03179.0°179.8°
C06C02C03N020.3°0.2°
C06C02C03C08179.9°179.8°
C06C02C03O01179.8°179.8°
C06C02C08C120.7°0.2°
C06C02C08H081179.3°179.7°
C02C06C11H111179.1°179.9°
N02C03C02O01180.0°179.9°
N02C03C02C08179.8°180.0°
N02C03O01C0947.2°5.0°
C03N02C14H141179.1°180.0°
O02C13C12C08179.2°180.0°
O02C13C12O031.4°0.0°
O02C13C11H1110.8°0.1°
C13O02C22H221134.8°60.0°
C13O02C22H22213.3°60.0°
C13C12C08C021.2°0.0°
C13C12C08O03179.5°180.0°
C13C12O03C23155.4°180.0°
C13C12C08H081178.8°179.9°
C12C13C11H111178.6°179.7°
C03C02C08C12179.4°180.0°
C02C03O01C09132.7°174.9°
C03C02C08H0810.6°0.1°
C08C02C03O010.1°0.0°
C02C08C12H081180.0°179.9°
C02C08C12O03179.3°180.0°
C24C21H212H211121.5°121.1°
C21C24H241H242121.9°122.2°
C21C24C25H252137.3°96.4°
C21C24C25H251101.8°140.3°
C03O01C09C05124.4°85.6°
C03O01C09C1654.9°94.4°
F01C05C09O010.1°0.0°
F01C05C09C01179.8°180.0°
F01C05C09C16179.2°180.0°
F01C05C01C070.7°0.0°
F01C05C01C04179.8°179.7°
C08C12O03C2325.2°0.0°
O03C12C08H0810.7°0.1°
C12O03C23H231180.0°60.0°
C12O03C23H23360.0°60.0°
C12O03C23H23260.0°180.0°
O01C09C05C16179.2°180.0°
O01C09C05C01179.9°180.0°
O01C09C16C15179.4°179.6°
O01C09C16H1610.5°0.0°
C09C05C01C07179.4°180.0°
C09C05C01C040.4°0.3°
C05C09C16C151.3°0.4°
C05C09C16H161178.8°180.0°
C01C05C09C160.7°0.0°
C05C01C07C04179.1°179.7°
C05C01C07C10179.8°179.7°
C05C01C04C150.9°0.2°
C05C01C04N01179.5°179.7°
C05C01C07H161.4°61.3°
C05C01C07H07161.1°61.9°
O03C23H231H233120.0°120.0°
O03C23H231H232120.0°120.0°
O03C23H233H232120.0°120.0°
C09C16C15H161180.0°179.6°
C09C16C15C040.8°0.5°
C09C16C15H151179.2°179.6°
C01C07C10H1118.7°118.4°
C01C07C10H071118.7°118.5°
C07C01C04C15179.9°180.0°
C07C01C04N010.3°0.0°
C01C07C10C19179.4°180.0°
C01C07C10N010.9°0.0°
C01C07H1H071123.6°123.2°
C04C01C07C100.7°0.1°
C01C04C15C160.3°0.2°
C01C04C15N01179.5°179.9°
C01C04N01C100.3°0.0°
C04C01C07H1119.5°118.4°
C04C01C07H071118.0°118.4°
C01C04C15H151179.8°179.9°
C07C10N01C040.8°0.0°
C07C10C19N01179.7°179.9°
C10C07H1H071123.6°123.1°
C07C10C19H193179.7°90.0°
C07C10C19H19260.3°150.0°
C07C10C19H19159.7°30.0°
C16C15C04H151180.0°179.8°
C16C15C04N01179.8°179.9°
C15C04N01C10179.2°180.0°
C04C15C16H161179.2°179.9°
C04N01C10C19179.5°180.0°
N01C04C15H1510.3°0.0°
C19C10C07H160.6°61.6°
C19C10C07H07161.9°61.5°
C10C19H193H192120.0°120.0°
C10C19H193H191120.0°120.0°
C10C19H192H191120.0°120.0°
N01C10C07H1119.6°118.4°
N01C10C07H071117.8°118.4°
N01C10C19H1930.0°90.0°
N01C10C19H192120.0°30.0°
N01C10C19H191120.0°150.1°
H151C15C16H1610.8°0.0°
H171C17C18H18212.6°60.0°
H171C17C18H181131.4°180.0°
H172C17C18H182132.7°180.0°
H172C17C18H181108.5°60.0°
H182C18C22H221124.5°180.0°
H182C18C22H2223.1°60.1°
H181C18C22H221116.7°60.0°
H181C18C22H222121.9°180.0°
H193C19H192H191120.0°120.0°
H201C20C25H2526.7°160.6°
H201C20C25H251127.6°37.3°
H202C20C25H252114.1°37.5°
H202C20C25H2516.8°85.8°
H212C21C24H241143.5°120.5°
H212C21C24H24222.2°1.6°
H211C21C24H24122.5°0.5°
H211C21C24H24298.8°122.6°
H231C23H233H232120.0°120.0°
H241C24C25H25217.9°144.7°
H241C24C25H251138.8°21.4°
H242C24C25H252103.4°22.5°
H242C24C25H25117.6°100.7°

226262

PDB entries from 2024-10-16

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