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LQY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COsing1.43Å1.43Å
NC13sing1.35Å1.34Å
NC14sing1.47Å1.45Å
OC1sing1.36Å1.37Å
C1C2doub1.39Å1.40ÅAromatic
C1C6sing1.40Å1.40ÅAromatic
N1C15sing1.35Å1.32Å
O1C13doub1.22Å1.23Å
C2C3sing1.38Å1.39ÅAromatic
N2N3sing1.40Å1.38Å
N2C16doub1.30Å1.29Å
O2C15doub1.21Å1.24Å
C3C4doub1.40Å1.40ÅAromatic
N3C17sing1.46Å1.48Å
N3C24sing1.35Å1.38Å
O3C24doub1.21Å1.22Å
C4C5sing1.39Å1.39ÅAromatic
C4C16sing1.47Å1.49Å
C5C6doub1.39Å1.40ÅAromatic
C6C7sing1.48Å1.49Å
C7C8doub1.40Å1.40ÅAromatic
C7C12sing1.40Å1.39ÅAromatic
C8C9sing1.38Å1.39ÅAromatic
C9C10doub1.40Å1.40ÅAromatic
C10C11sing1.40Å1.39ÅAromatic
C10C13sing1.48Å1.50Å
C11C12doub1.38Å1.38ÅAromatic
C14C15sing1.51Å1.52Å
C16C30sing1.52Å1.52Å
C17C18sing1.54Å1.61Å
C17C23sing1.50Å1.60Å
C18C19sing1.46Å1.53Å
C19C20sing1.54Å1.55Å
C20C21sing1.50Å1.54Å
C21C22sing1.54Å1.52Å
C22C23sing1.54Å1.53Å
C24C25sing1.50Å1.52Å
C25C26sing1.52Å1.53Å
C25C30sing1.53Å1.55Å
C26C27sing1.50Å1.50Å
C27C28doub1.29Å1.34Å
C28C29sing1.50Å1.51Å
C29C30sing1.53Å1.54Å
CHsing1.09Å1.10Å
CHAsing1.09Å1.10Å
CHBsing1.09Å1.10Å
NHNsing0.97Å1.00Å
N1HN1sing0.97Å1.00Å
N1HN1Asing0.97Å1.00Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C27H27sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
C29H29sing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C30H30sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
COC1117.8°117.0°
OCH109.5°109.5°
OCHA109.5°109.4°
OCHB109.5°109.5°
C13NC14122.2°120.0°
NC13O1122.0°120.0°
NC13C10117.7°120.0°
C13NHN118.9°120.0°
NC14C15117.1°109.5°
C14NHN118.9°120.0°
NC14H14107.5°109.4°
NC14H14A107.5°109.5°
OC1C2124.0°120.0°
OC1C6115.5°119.9°
C2C1C6120.5°120.1°
C1C2C3119.8°120.2°
C1C2H2120.1°119.9°
C1C6C5118.7°119.8°
C1C6C7123.5°120.1°
N1C15O2122.9°120.0°
N1C15C14115.8°120.0°
C15N1HN1120.0°120.0°
C15N1HN1A120.0°120.0°
O1C13C10120.2°120.0°
C2C3C4120.5°120.2°
C3C2H2120.1°119.9°
C2C3H3119.8°119.9°
N3N2C16118.3°121.3°
N2N3C17107.8°120.2°
N2N3C24124.8°119.7°
N2C16C4115.8°120.4°
N2C16C30121.5°119.2°
O2C15C14121.3°120.0°
C3C4C5119.0°119.9°
C3C4C16121.2°120.0°
C4C3H3119.7°119.9°
C17N3C24127.3°120.1°
N3C17C18110.3°109.6°
N3C17C23109.5°109.6°
N3C17H17107.3°109.7°
N3C24O3125.3°121.0°
N3C24C25114.9°118.0°
O3C24C25119.8°120.9°
C5C4C16119.7°120.1°
C4C5C6121.4°119.8°
C4C5H5119.3°120.1°
C4C16C30122.6°120.4°
C5C6C7117.7°120.1°
C6C5H5119.3°120.1°
C6C7C8121.7°120.0°
C6C7C12120.2°120.0°
C8C7C12117.8°120.1°
C7C8C9121.1°120.0°
C7C8H8119.4°120.0°
C7C12C11121.4°120.0°
C7C12H12119.3°120.0°
C8C9C10120.7°120.0°
C9C8H8119.5°120.0°
C8C9H9119.6°120.0°
C9C10C11118.2°120.0°
C9C10C13120.0°120.0°
C10C9H9119.7°120.0°
C11C10C13121.7°120.0°
C10C11C12120.8°120.0°
C10C11H11119.6°120.0°
C12C11H11119.6°120.0°
C11C12H12119.3°120.0°
C15C14H14107.5°109.5°
C15C14H14A107.5°109.5°
C16C30C25108.4°107.0°
C16C30C29110.9°107.2°
C16C30H30109.3°111.0°
C18C17C23117.4°108.5°
C17C18C19117.6°112.4°
C18C17H17105.9°109.6°
C17C18H18107.4°108.9°
C17C18H18A107.4°108.9°
C17C23C22120.2°112.5°
C23C17H17106.0°109.8°
C17C23H23106.8°108.9°
C17C23H23A106.7°108.9°
C18C19C20116.8°112.4°
C19C18H18107.4°108.9°
C19C18H18A107.4°108.9°
C18C19H19107.6°108.9°
C18C19H19A107.6°108.9°
C19C20C21119.3°108.5°
C20C19H19107.6°108.8°
C20C19H19A107.6°108.9°
C19C20H20107.0°109.6°
C19C20H20A107.0°109.6°
C20C21C22115.9°112.5°
C21C20H20106.9°109.6°
C21C20H20A106.9°109.7°
C20C21H21107.8°108.9°
C20C21H21A107.8°108.9°
C21C22C23115.3°112.8°
C22C21H21107.9°108.9°
C22C21H21A107.9°108.9°
C21C22H22108.0°108.8°
C21C22H22A108.0°108.8°
C23C22H22108.0°108.8°
C23C22H22A108.0°108.8°
C22C23H23106.7°108.9°
C22C23H23A106.7°108.9°
C24C25C26117.4°112.1°
C24C25C30108.3°108.6°
C24C25H25106.9°108.7°
C26C25C30110.4°110.8°
C25C26C27111.9°111.4°
C26C25H25106.8°108.7°
C25C26H26108.9°109.1°
C25C26H26A108.8°109.1°
C25C30C29110.2°108.7°
C30C25H25106.5°107.9°
C25C30H30109.0°111.1°
C26C27C28123.5°123.7°
C27C26H26108.9°109.1°
C27C26H26A108.9°109.1°
C26C27H27118.3°118.2°
C27C28C29123.2°124.3°
C28C27H27118.2°118.1°
C27C28H28118.4°117.9°
C28C29C30111.9°111.2°
C29C28H28118.4°117.8°
C28C29H29108.9°109.1°
C28C29H29A108.8°109.2°
C30C29H29108.9°109.1°
C30C29H29A108.9°109.2°
C29C30H30109.1°111.7°
HCHA109.5°109.4°
HCHB109.4°109.5°
HACHB109.5°109.5°
HN1N1HN1A120.0°120.0°
H14C14H14A109.5°109.5°
H18C18H18A109.5°108.8°
H19C19H19A109.5°108.8°
H20C20H20A109.5°109.8°
H21C21H21A109.5°108.8°
H22C22H22A109.5°108.7°
H23C23H23A109.5°108.7°
H26C26H26A109.5°109.0°
H29C29H29A109.5°109.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
COC1C217.4°0.0°
COC1C6160.8°179.8°
OCHHA120.0°119.9°
OCHHB120.0°120.0°
OCHAHB120.0°120.0°
C13NC14HN180.0°179.9°
NC13O1C10176.4°180.0°
NC13C10C9176.6°180.0°
NC13C10C117.9°0.1°
C13NC14C1575.3°180.0°
C13NC14H14163.6°60.0°
C13NC14H14A45.8°59.9°
NC14C15N1141.3°180.0°
C14NC13O124.6°0.0°
NC14C15O239.3°0.1°
C14NC13C10158.9°180.0°
NC14C15H14121.1°120.0°
NC14C15H14A121.1°120.0°
NC14H14H14A116.5°120.0°
OC1C2C6178.1°179.7°
OC1C2C3178.0°180.0°
OC1C6C5178.8°179.7°
OC1C6C73.0°0.0°
C1OCH180.0°180.0°
C1OCHA60.0°60.1°
C1OCHB60.0°60.0°
OC1C2H21.9°0.0°
C1C2C3H2180.0°180.0°
C1C2C3C41.2°0.1°
C2C1C6C50.5°0.5°
C2C1C6C7175.3°179.7°
C1C2C3H3178.9°180.0°
C6C1C2C30.1°0.2°
C1C6C5C40.0°0.5°
C1C6C5C7176.0°179.8°
C1C6C7C869.0°130.0°
C1C6C7C12116.5°50.3°
C6C1C2H2179.9°179.7°
C1C6C5H5180.0°179.7°
N1C15O2C14179.4°179.9°
C15N1HN1HN1A180.0°179.9°
N1C15C14H1420.1°60.1°
N1C15C14H14A97.7°59.9°
O1C13C10C96.9°0.0°
O1C13C10C11168.6°180.0°
O1C13NHN155.4°179.9°
C2C3C4H3180.0°179.9°
C2C3C4C51.6°0.1°
C2C3C4C16174.5°179.9°
N2N3C17C24180.0°180.0°
N2N3C24O3177.8°176.1°
N3N2C16C4175.0°179.5°
N3N2C16C301.6°0.5°
N2N3C17C1867.5°60.0°
N2N3C17C2363.1°59.0°
N2N3C24C250.0°3.8°
N2N3C17H17177.7°179.6°
N2C16C4C3154.5°180.0°
C16N2N3C17157.6°155.0°
C16N2N3C2422.4°25.0°
N2C16C4C521.6°0.0°
N2C16C4C30176.5°180.0°
N2C16C30C2536.1°39.4°
N2C16C30C2985.0°77.0°
N2C16C30H30154.7°160.7°
O2C15N1HN10.0°0.1°
O2C15N1HN1A180.0°180.0°
O2C15C14H14160.4°120.0°
O2C15C14H14A81.8°120.0°
C3C4C5C16176.2°180.0°
C3C4C5C61.1°0.2°
C3C4C16C3022.0°0.0°
C4C3C2H2178.9°180.0°
C3C4C5H5179.0°180.0°
C17N3C24O32.2°3.9°
N3C17C18C23126.3°119.7°
N3C17C18H17115.8°120.4°
N3C17C23H17115.5°120.6°
N3C17C18C19167.6°160.3°
N3C17C23C22168.5°146.2°
C17N3C24C25180.0°176.2°
N3C17C18H1871.2°78.9°
N3C17C18H18A46.4°39.6°
N3C17C23H2370.0°25.4°
N3C17C23H23A47.0°93.0°
N3C24O3C25177.7°180.0°
C24N3C17C18112.5°120.0°
C24N3C17C23116.9°121.0°
N3C24C25C26163.4°159.0°
N3C24C25C3037.6°36.3°
C24N3C17H172.3°0.4°
N3C24C25H2576.8°80.8°
O3C24C25C2614.5°21.0°
O3C24C25C30140.3°143.7°
O3C24C25H25105.3°99.2°
C4C5C6H5180.0°179.8°
C4C5C6C7176.0°179.7°
C5C4C16C30161.8°180.0°
C5C4C3H3178.4°180.0°
C16C4C5C6175.1°179.8°
C4C16C30C25147.6°140.6°
C4C16C30C2991.3°103.0°
C16C4C3H35.5°0.0°
C16C4C5H54.8°0.1°
C4C16C30H3028.9°19.3°
C5C6C7C8115.2°49.8°
C5C6C7C1259.3°130.0°
C6C7C8C12174.6°179.8°
C6C7C8C9172.9°180.0°
C6C7C12C11172.8°179.7°
C7C6C5H54.0°0.1°
C6C7C8H87.1°0.1°
C6C7C12H127.2°0.0°
C7C8C9H8180.0°180.0°
C7C8C9C100.1°0.0°
C8C7C12C111.9°0.5°
C7C8C9H9179.9°180.0°
C8C7C12H12178.1°179.8°
C12C7C8C91.7°0.2°
C7C12C11C100.2°0.4°
C7C12C11H12180.0°179.8°
C12C7C8H8178.3°179.7°
C7C12C11H11179.9°179.7°
C8C9C10H9180.0°179.9°
C8C9C10C111.8°0.1°
C8C9C10C13173.8°180.0°
C9C10C11C13175.6°179.9°
C9C10C11C121.7°0.1°
C10C9C8H8179.9°180.0°
C9C10C11H11178.3°180.0°
C10C11C12H11180.0°179.9°
C11C10C9H9178.2°180.0°
C10C11C12H12179.8°179.8°
C13C10C11C12173.9°179.8°
C10C13NHN21.1°0.1°
C13C10C9H96.2°0.1°
C13C10C11H116.2°0.1°
C15C14NHN104.7°0.1°
C14C15N1HN1179.5°180.0°
C14C15N1HN1A0.6°0.1°
C15C14H14H14A116.6°120.0°
C16C30C25C2452.9°54.8°
C16C30C25C26177.3°178.3°
C16C30C25C29121.5°115.4°
C16C30C25H30118.9°121.3°
C16C30C29C28166.4°162.4°
C16C30C29H30120.4°121.8°
C16C30C25H2561.7°62.8°
C16C30C29H2946.0°42.0°
C16C30C29H29A73.3°77.0°
C18C17C23H17117.9°119.7°
C17C18C19H18121.2°120.8°
C17C18C19H18A121.2°120.7°
C17C18C19C2072.0°62.0°
C18C17C23C2241.8°94.2°
C17C18H18H18A116.3°118.5°
C17C18C19H19167.0°177.3°
C17C18C19H19A49.1°58.8°
C18C17C23H23163.3°145.0°
C18C17C23H23A79.7°26.7°
C23C17C18C1966.2°80.0°
C17C23C22C2155.5°41.7°
C17C23C22H23121.5°120.8°
C17C23C22H23A121.5°120.8°
C23C17C18H1855.0°40.8°
C23C17C18H18A172.6°159.3°
C17C23C22H22176.3°162.6°
C17C23C22H22A65.4°79.1°
C17C23H23H23A115.2°118.5°
C18C19C20H19121.1°120.7°
C18C19C20H19A121.1°120.8°
C18C19C20C2115.3°80.0°
C19C18C17H1751.8°39.9°
C19C18H18H18A116.3°118.5°
C18C19H19H19A116.7°118.6°
C18C19C20H20106.1°39.7°
C18C19C20H20A136.7°160.3°
C19C20C21H20121.4°119.7°
C19C20C21H20A121.4°119.7°
C19C20C21C2259.5°94.2°
C20C19C18H1849.2°58.8°
C20C19C18H18A166.9°177.3°
C20C19H19H19A116.7°118.6°
C19C20H20H20A115.6°120.5°
C19C20C21H2161.5°145.1°
C19C20C21H21A179.6°26.7°
C20C21C22H21120.9°120.7°
C20C21C22H21A120.9°120.8°
C20C21C22C2385.2°41.7°
C21C20C19H19136.4°159.3°
C21C20C19H19A105.7°40.8°
C21C20H20H20A115.5°120.5°
C20C21H21H21A117.0°118.5°
C20C21C22H22153.9°79.1°
C20C21C22H22A35.6°162.6°
C21C22C23H22120.9°120.8°
C21C22C23H22A120.9°120.9°
C22C21C20H20179.1°25.5°
C22C21C20H20A61.9°146.1°
C22C21H21H21A117.1°118.5°
C21C22H22H22A117.4°118.3°
C21C22C23H23177.0°162.5°
C21C22C23H23A66.0°79.1°
C22C23C17H1776.1°25.6°
C23C22C21H2135.7°162.5°
C23C22C21H21A153.8°79.1°
C23C22H22H22A117.3°118.4°
C22C23H23H23A115.1°118.5°
C24C25C26C30124.7°121.5°
C24C25C26H25119.8°120.1°
C24C25C30H25114.7°117.6°
C24C25C26C2778.2°75.7°
C24C25C30C2968.6°60.6°
C24C25C26H2642.2°44.8°
C24C25C26H26A161.4°163.8°
C24C25C30H30171.8°176.1°
C26C25C30H25115.6°118.9°
C25C26C27H26120.4°120.5°
C25C26C27H26A120.4°120.4°
C25C26C27C2820.0°15.1°
C26C25C30C2961.2°62.9°
C25C26H26H26A118.9°119.0°
C25C26C27H27160.0°164.9°
C26C25C30H3058.4°60.4°
C30C25C26C2746.5°45.8°
C25C30C29C2846.3°47.2°
C25C30C29H30119.5°122.9°
C30C25C26H26166.9°166.3°
C30C25C26H26A73.9°74.7°
C25C30C29H2974.0°73.3°
C25C30C29H29A166.7°167.7°
C26C27C28H27180.0°180.0°
C26C27C28C296.5°0.9°
C27C26C25H25162.0°164.1°
C27C26H26H26A118.9°119.1°
C26C27C28H28173.5°179.1°
C27C28C29H28180.0°180.0°
C27C28C29C3020.0°17.8°
C28C27C26H26140.4°135.6°
C28C27C26H26A100.4°105.3°
C27C28C29H29100.4°102.6°
C27C28C29H29A140.3°138.3°
C28C29C30H29120.3°120.4°
C28C29C30H29A120.3°120.5°
C29C28C27H27173.5°179.0°
C28C29H29H29A118.9°119.2°
C28C29C30H3073.2°75.7°
C29C30C25H25176.8°178.2°
C30C29C28H28160.0°162.2°
C30C29H29H29A118.9°119.1°
HCHAHB120.0°120.0°
HNNC14H1416.4°120.1°
HNNC14H14A134.2°120.0°
H2C2C3H31.1°0.1°
H8C8C9H90.1°0.1°
H11C11C12H120.1°0.1°
H17C17C18H18173.0°160.7°
H17C17C18H18A69.4°80.8°
H17C17C23H2345.4°95.2°
H17C17C23H23A162.4°146.4°
H18C18C19H1971.8°61.9°
H18C18C19H19A170.3°179.6°
H18AC18C19H1945.8°56.6°
H18AC18C19H19A72.1°61.9°
H19C19C20H2015.0°81.0°
H19C19C20H20A102.3°39.5°
H19AC19C20H20132.9°160.5°
H19AC19C20H20A15.6°79.0°
H20C20C21H2159.9°95.2°
H20C20C21H21A58.2°146.3°
H20AC20C21H21177.2°25.4°
H20AC20C21H21A59.1°93.1°
H21C21C22H2285.1°41.6°
H21C21C22H22A156.6°76.7°
H21AC21C22H2233.0°160.1°
H21AC21C22H22A85.3°41.8°
H22C22C23H2362.1°76.7°
H22C22C23H23A54.8°41.8°
H22AC22C23H2356.1°41.6°
H22AC22C23H23A173.1°160.1°
H25C25C26H2677.7°75.3°
H25C25C26H26A41.6°43.7°
H25C25C30H3057.2°58.5°
H26C26C27H2739.6°44.3°
H26AC26C27H2779.7°74.7°
H27C27C28H286.5°0.9°
H28C28C29H2979.6°77.4°
H28C28C29H29A39.7°41.7°
H29C29C30H30166.5°163.8°
H29AC29C30H3047.1°44.8°

221051

PDB entries from 2024-06-12

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