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YK2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C08N06sing1.47Å1.46Å
N06C05sing1.47Å1.46Å
N06C24sing1.38Å1.43Å
N08C24doub1.29Å1.43ÅAromatic
N08C19sing1.35Å1.39ÅAromatic
C24S01sing1.76Å1.81ÅAromatic
C19C22doub1.41Å1.39ÅAromatic
C19C18sing1.40Å1.35ÅAromatic
C22C20sing1.36Å1.38ÅAromatic
S01C18sing1.76Å1.70ÅAromatic
C18C17doub1.39Å1.39ÅAromatic
C20C13doub1.40Å1.37ÅAromatic
C17C13sing1.39Å1.38ÅAromatic
C13C12sing1.48Å1.51Å
F01C14sing1.35Å1.37Å
C12C14sing1.40Å1.56ÅAromatic
C12N05doub1.33Å1.50ÅAromatic
C14C16doub1.38Å1.47ÅAromatic
N05C10sing1.32Å1.46ÅAromatic
C16N07sing1.32Å1.43ÅAromatic
C06C02doub1.37Å1.35ÅAromatic
C06C07sing1.39Å1.39ÅAromatic
C10N07doub1.32Å1.39ÅAromatic
C10N03sing1.39Å1.45Å
C02C01sing1.40Å1.36ÅAromatic
C07N03sing1.39Å1.46Å
C07N02doub1.33Å1.35ÅAromatic
O01C03doub1.22Å1.19Å
C01C03sing1.47Å1.53Å
C01C04doub1.40Å1.40ÅAromatic
C03N01sing1.35Å1.47Å
C09C11sing1.53Å1.53Å
N01C23sing1.47Å1.47Å
N01C25sing1.47Å1.45Å
C23C15sing1.53Å1.54Å
N04C15sing1.47Å1.31Å
N04C11sing1.47Å1.33Å
N04C21sing1.47Å1.31Å
C25C21sing1.53Å1.53Å
N02C04sing1.32Å1.37ÅAromatic
C02H1sing1.08Å1.08Å
C04H2sing1.08Å1.08Å
C05H3sing1.09Å1.10Å
C05H4sing1.09Å1.10Å
C05H5sing1.09Å1.10Å
C06H6sing1.08Å1.08Å
C08H7sing1.09Å1.10Å
C08H8sing1.09Å1.10Å
C08H9sing1.09Å1.10Å
C09H10sing1.09Å1.10Å
C09H11sing1.09Å1.10Å
C09H12sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C11H15sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C16H20sing1.08Å1.08Å
C17H22sing1.08Å1.08Å
C20H23sing1.08Å1.08Å
C21H24sing1.09Å1.10Å
C21H25sing1.09Å1.10Å
C22H26sing1.08Å1.08Å
C23H27sing1.09Å1.10Å
C23H28sing1.09Å1.10Å
C25H29sing1.09Å1.10Å
C25H30sing1.09Å1.10Å
N03H31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C08N06C05123.6°119.9°
C08N06C24117.7°120.0°
N06C08H7109.5°109.4°
N06C08H8109.5°109.4°
N06C08H9109.5°109.5°
C05N06C24118.5°120.0°
N06C05H3109.5°109.4°
N06C05H4109.5°109.4°
N06C05H5109.5°109.5°
N06C24N08128.3°124.8°
N06C24S01130.5°124.8°
C24N08C19119.9°118.0°
N08C24S01101.1°110.4°
N08C19C22128.0°128.6°
N08C19C18111.4°112.8°
C24S01C1895.3°90.4°
C22C19C18120.6°118.6°
C19C22C20120.4°120.8°
C19C22H26119.8°119.6°
C19C18S01112.2°108.4°
C19C18C17119.1°120.4°
C22C20C13119.0°120.6°
C22C20H23120.5°119.7°
C20C22H26119.8°119.6°
S01C18C17128.7°131.2°
C18C17C13120.8°120.0°
C18C17H22119.6°120.0°
C20C13C17120.1°119.7°
C20C13C12125.1°120.2°
C13C20H23120.5°119.7°
C17C13C12114.7°120.1°
C13C17H22119.6°120.0°
C13C12C14120.4°120.5°
C13C12N05121.8°120.6°
F01C14C12115.8°120.8°
F01C14C16108.3°120.8°
C14C12N05117.7°118.9°
C12C14C16118.3°118.4°
C12N05C10113.8°120.7°
C14C16N07110.2°119.3°
C14C16H20124.9°120.3°
N05C10N07116.5°121.8°
N05C10N03111.4°119.1°
C16N07C10119.3°121.0°
N07C16H20124.9°120.4°
C02C06C07120.9°119.4°
C06C02C01119.3°118.5°
C06C02H1120.4°120.8°
C02C06H6119.6°120.4°
C06C07N03123.1°119.5°
C06C07N02120.1°120.9°
C07C06H6119.5°120.3°
N07C10N03112.0°119.1°
C10N03C07122.9°120.0°
C10N03H31118.6°120.0°
C02C01C03120.1°120.5°
C02C01C04120.5°119.0°
C01C02H1120.3°120.7°
N03C07N02116.7°119.6°
C07N03H31118.5°120.0°
C07N02C04120.0°121.6°
O01C03C01116.9°120.0°
O01C03N01120.9°119.9°
C03C01C04119.3°120.5°
C01C03N01122.2°120.0°
C01C04N02119.2°120.6°
C01C04H2120.4°119.7°
C03N01C23119.7°120.8°
C03N01C25121.0°120.9°
C09C11N04112.9°109.5°
C11C09H10109.5°109.5°
C11C09H11109.5°109.4°
C11C09H12109.5°109.5°
C09C11H14108.6°109.4°
C09C11H15108.6°109.5°
C23N01C25119.3°118.2°
N01C23C15113.3°108.5°
N01C23H27108.5°109.6°
N01C23H28108.5°109.8°
N01C25C21110.1°108.5°
N01C25H29109.3°109.6°
N01C25H30109.3°109.8°
C23C15N04115.5°109.4°
C23C15H18107.9°109.5°
C23C15H19107.9°109.5°
C15C23H27108.5°109.6°
C15C23H28108.5°109.6°
C15N04C11109.5°111.0°
C15N04C21108.2°111.3°
N04C15H18107.9°109.5°
N04C15H19107.9°109.5°
C11N04C21109.1°111.0°
N04C11H14108.6°109.5°
N04C11H15108.6°109.5°
N04C21C25109.4°109.3°
N04C21H24109.5°109.5°
N04C21H25109.5°109.5°
C25C21H24109.5°109.5°
C25C21H25109.5°109.5°
C21C25H29109.3°109.6°
C21C25H30109.3°109.7°
N02C04H2120.4°119.7°
H3C05H4109.5°109.5°
H3C05H5109.5°109.5°
H4C05H5109.5°109.5°
H7C08H8109.5°109.5°
H7C08H9109.5°109.5°
H8C08H9109.4°109.5°
H10C09H11109.4°109.5°
H10C09H12109.5°109.5°
H11C09H12109.5°109.5°
H14C11H15109.5°109.4°
H18C15H19109.5°109.5°
H24C21H25109.5°109.5°
H27C23H28109.5°109.6°
H29C25H30109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C08N06C05C24174.8°180.0°
C08N06C24N085.0°0.1°
C08N06C24S01178.1°180.0°
C08N06C05H3180.0°90.0°
C08N06C05H460.0°150.0°
C08N06C05H560.0°30.0°
N06C08H7H8120.0°119.9°
N06C08H7H9120.0°120.0°
N06C08H8H9120.0°120.0°
C05N06C24N08170.1°179.9°
C05N06C24S016.8°0.0°
N06C05H3H4120.0°120.0°
N06C05H3H5120.0°120.0°
N06C05H4H5120.0°120.0°
C05N06C08H7180.0°90.0°
C05N06C08H860.0°150.0°
C05N06C08H960.0°30.0°
N06C24N08S01177.6°179.9°
N06C24N08C19177.2°179.8°
N06C24S01C18176.7°179.9°
C24N06C05H35.2°90.0°
C24N06C05H4114.8°30.0°
C24N06C05H5125.2°150.0°
C24N06C08H75.1°90.0°
C24N06C08H8125.2°30.0°
C24N06C08H9114.9°150.0°
C24N08C19C22179.5°180.0°
C24N08C19C180.3°0.2°
N08C24S01C180.8°0.1°
C19N08C24S010.4°0.0°
N08C19C22C18179.7°179.8°
N08C19C22C20179.4°179.9°
N08C19C18S010.9°0.2°
N08C19C18C17179.4°179.8°
N08C19C22H260.6°0.1°
C24S01C18C191.1°0.1°
C24S01C18C17179.4°179.9°
C19C22C20H26180.0°179.8°
C22C19C18S01178.8°180.0°
C22C19C18C170.3°0.0°
C19C22C20C130.2°0.6°
C19C22C20H23179.8°179.8°
C18C19C22C200.4°0.3°
C19C18S01C17178.3°180.0°
C19C18C17C130.2°0.0°
C19C18C17H22179.8°180.0°
C18C19C22H26179.6°180.0°
C22C20C13H23180.0°179.7°
C22C20C13C170.7°0.6°
C22C20C13C12179.7°179.7°
S01C18C17C13178.0°180.0°
S01C18C17H222.0°0.0°
C18C17C13C200.8°0.3°
C18C17C13H22180.0°179.9°
C18C17C13C12179.8°180.0°
C20C13C17C12179.1°179.7°
C20C13C12C144.7°35.3°
C20C13C12N05176.8°144.4°
C20C13C17H22179.3°179.7°
C13C20C22H26179.8°179.6°
C17C13C12C14176.3°145.0°
C17C13C12N052.2°35.2°
C17C13C20H23179.2°179.7°
C13C12C14F0130.8°0.3°
C13C12C14N05178.6°179.8°
C13C12C14C16161.8°180.0°
C13C12N05C10162.0°179.8°
C12C13C17H220.2°0.1°
C12C13C20H230.3°0.1°
F01C14C12C16131.0°179.8°
F01C14C12N05150.6°180.0°
F01C14C16N07166.4°179.8°
F01C14C16H2013.6°0.2°
C14C12N05C1019.4°0.0°
C12C14C16N0732.1°0.4°
C12C14C16H20147.9°180.0°
N05C12C14C1619.6°0.2°
C12N05C10N0735.6°0.0°
C12N05C10N03165.7°179.7°
C14C16N07H20180.0°179.6°
C14C16N07C1050.9°0.4°
N05C10N07C1654.9°0.2°
N05C10N07N03129.9°179.7°
N05C10N03C0749.0°175.0°
N05C10N03H31131.0°4.9°
C16N07C10N03175.3°179.9°
C02C06C07H6180.0°180.0°
C06C02C01H1180.0°180.0°
C02C06C07N03180.0°180.0°
C02C06C07N020.2°0.3°
C06C02C01C03178.4°179.9°
C06C02C01C041.2°0.3°
C06C07N03C105.8°174.6°
C07C06C02C010.3°0.0°
C06C07N03N02179.9°179.7°
C06C07N02C040.3°0.3°
C07C06C02H1179.7°180.0°
C06C07N03H31174.2°5.3°
N07C10N03C07178.6°5.3°
C10N07C16H20129.1°180.0°
N07C10N03H311.4°174.8°
C10N03C07H31180.0°179.9°
C10N03C07N02174.1°5.1°
C02C01C03O0158.9°135.1°
C02C01C03C04177.3°179.6°
C02C01C03N01122.0°44.9°
C02C01C04N021.6°0.3°
C02C01C04H2178.3°179.7°
C01C02C06H6179.8°180.0°
N03C07N02C04179.6°180.0°
N03C07C06H60.1°0.0°
C07N02C04C011.2°0.0°
C07N02C04H2178.8°180.0°
N02C07C06H6179.8°179.7°
N02C07N03H315.9°175.0°
O01C03C01N01179.2°180.0°
O01C03C01C04118.4°44.5°
O01C03N01C230.6°175.8°
O01C03N01C25179.9°4.2°
C01C03N01C23179.7°4.2°
C01C03N01C250.9°175.8°
C03C01C04N02178.9°180.0°
C03C01C02H11.5°0.0°
C03C01C04H21.1°0.1°
C04C01C03N0160.7°135.4°
C01C04N02H2180.0°179.9°
C04C01C02H1178.8°179.7°
C03N01C23C25179.4°179.9°
C03N01C23C15178.1°128.8°
C03N01C25C21163.9°128.8°
C03N01C23H2757.6°111.4°
C03N01C23H2861.3°9.1°
C03N01C25H2976.0°9.2°
C03N01C25H3043.8°111.3°
C09C11N04C15168.9°170.0°
C09C11N04H14120.5°120.0°
C09C11N04H15120.5°120.1°
C09C11N04C2172.9°65.7°
C11C09H10H11120.0°119.9°
C11C09H10H12120.0°120.1°
C11C09H11H12120.0°120.0°
C09C11H14H15118.4°120.0°
N01C23C15H27120.6°119.7°
N01C23C15H28120.5°119.9°
N01C23C15N0422.5°53.8°
C23N01C25C2116.8°51.2°
N01C23C15H1898.4°66.1°
N01C23C15H19143.4°173.8°
N01C23H27H28118.3°120.6°
C23N01C25H29103.3°170.8°
C23N01C25H30136.9°68.6°
C25N01C23C152.5°51.2°
N01C25C21N0453.7°53.8°
N01C25C21H29120.1°119.7°
N01C25C21H30120.1°119.9°
N01C25C21H2466.3°173.8°
N01C25C21H25173.7°66.1°
C25N01C23H27123.1°68.5°
C25N01C23H28118.0°171.0°
N01C25H29H30119.7°120.6°
C23C15N04H18120.9°120.0°
C23C15N04H19120.9°120.0°
C23C15N04C11179.6°172.7°
C23C15N04C2160.8°63.1°
C23C15H18H19117.2°120.0°
C15C23H27H28118.2°120.4°
C15N04C11C21118.2°124.3°
C15N04C21C2577.2°63.1°
C15N04C11H1448.4°50.0°
C15N04C11H1570.6°70.0°
N04C15H18H19117.3°120.1°
C15N04C21H2442.8°177.0°
C15N04C21H25162.8°56.9°
N04C15C23H27143.1°65.9°
N04C15C23H2898.1°173.7°
C11N04C21C25163.8°172.7°
N04C11C09H10180.0°60.0°
N04C11C09H1160.0°60.0°
N04C11C09H1260.0°180.0°
N04C11H14H15118.5°120.0°
C11N04C15H1858.7°67.3°
C11N04C15H1959.5°52.8°
C11N04C21H2476.2°52.8°
C11N04C21H2543.8°67.3°
N04C21C25H24120.0°120.0°
N04C21C25H25120.0°119.9°
C21N04C11H14166.6°174.3°
C21N04C11H1547.6°54.4°
C21N04C15H1860.1°56.9°
C21N04C15H19178.3°176.9°
N04C21H24H25120.0°120.1°
N04C21C25H2966.3°173.5°
N04C21C25H30173.8°66.1°
C25C21H24H25120.0°120.1°
C21C25H29H30119.7°120.4°
H1C02C06H60.3°0.1°
H3C05H4H5120.0°120.0°
H7C08H8H9120.0°120.1°
H10C09H11H12120.0°120.0°
H10C09C11H1459.5°60.1°
H10C09C11H1559.5°180.0°
H11C09C11H1460.5°180.0°
H11C09C11H15179.5°60.0°
H12C09C11H14179.5°60.0°
H12C09C11H1560.5°60.0°
H18C15C23H2722.2°174.2°
H18C15C23H28141.1°53.8°
H19C15C23H2796.1°54.1°
H19C15C23H2822.8°66.3°
H23C20C22H260.2°0.0°
H24C21C25H29173.7°66.6°
H24C21C25H3053.8°53.9°
H25C21C25H2953.6°53.5°
H25C21C25H3066.2°174.0°

223790

PDB entries from 2024-08-14

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