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YXT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N31C30sing1.38Å1.45Å
C03C02sing1.53Å1.53Å
C01C02sing1.53Å1.53Å
C02C05sing1.53Å1.54Å
C02C04sing1.53Å1.53Å
C30N06sing1.37Å1.34ÅAromatic
C30N29doub1.31Å1.35ÅAromatic
C05N06sing1.47Å1.46Å
N06C07sing1.38Å1.35ÅAromatic
N29C08sing1.36Å1.37ÅAromatic
C07C08doub1.41Å1.36ÅAromatic
C07N12sing1.32Å1.35ÅAromatic
C08C09sing1.40Å1.44ÅAromatic
N12C11doub1.33Å1.33ÅAromatic
C09C10doub1.37Å1.41ÅAromatic
C11C10sing1.40Å1.40ÅAromatic
C11C13sing1.47Å1.54Å
N17C13sing1.38Å1.31ÅAromatic
N17C16sing1.35Å1.33ÅAromatic
C13C14doub1.38Å1.38ÅAromatic
C21C18sing1.53Å1.53Å
C19C18sing1.53Å1.52Å
C16C18sing1.51Å1.51Å
C16N15doub1.30Å1.33ÅAromatic
C18C20sing1.53Å1.53Å
C14N15sing1.35Å1.32ÅAromatic
C14C22sing1.48Å1.52Å
C27C22doub1.39Å1.39ÅAromatic
C27C26sing1.38Å1.39ÅAromatic
C22C23sing1.39Å1.39ÅAromatic
C26C25doub1.39Å1.40ÅAromatic
C23C24doub1.38Å1.38ÅAromatic
C25C24sing1.39Å1.38ÅAromatic
C25F28sing1.35Å1.37Å
C10H101sing1.08Å1.08Å
C20H202sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H203sing1.09Å1.10Å
C21H213sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C24H241sing1.08Å1.08Å
C26H261sing1.08Å1.08Å
C01H012sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C03H032sing1.09Å1.10Å
C03H033sing1.09Å1.10Å
C03H031sing1.09Å1.10Å
C04H042sing1.09Å1.10Å
C04H043sing1.09Å1.10Å
C04H041sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C09H091sing1.08Å1.08Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C23H231sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
N17H171sing0.97Å1.00Å
N31H311sing0.97Å1.00Å
N31H312sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N31C30N06124.6°125.1°
N31C30N29126.5°125.0°
C30N31H311109.5°120.0°
C30N31H312109.5°120.0°
C03C02C01109.4°109.5°
C03C02C05109.4°109.5°
C03C02C04107.6°109.5°
C02C03H032109.5°109.5°
C02C03H033109.5°109.4°
C02C03H031109.5°109.5°
C01C02C05110.8°109.4°
C01C02C04109.6°109.4°
C02C01H012109.5°109.5°
C02C01H013109.4°109.5°
C02C01H011109.5°109.5°
C05C02C04109.9°109.4°
C02C05N06113.8°109.4°
C02C05H052108.4°109.4°
C02C05H051108.4°109.5°
C02C04H042109.5°109.5°
C02C04H043109.5°109.4°
C02C04H041109.5°109.5°
N06C30N29108.9°109.9°
C30N06C05127.9°126.3°
C30N06C07108.3°107.4°
C30N29C08107.5°109.4°
C05N06C07123.7°126.3°
N06C05H052108.4°109.5°
N06C05H051108.4°109.5°
N06C07C08108.0°106.0°
N06C07N12129.2°133.6°
N29C08C07107.4°107.3°
N29C08C09134.8°133.5°
C08C07N12122.8°120.5°
C07C08C09117.8°119.1°
C07N12C11121.5°121.4°
C08C09C10117.9°118.5°
C08C09H091121.0°120.8°
N12C11C10119.7°121.0°
N12C11C13115.7°119.5°
C09C10C11120.2°119.6°
C09C10H101119.9°120.2°
C10C09H091121.0°120.8°
C10C11C13124.5°119.5°
C11C10H101119.9°120.2°
C11C13N17121.2°126.9°
C11C13C14131.4°127.0°
C13N17C16108.6°107.3°
N17C13C14107.3°106.1°
C13N17H171125.7°126.3°
N17C16C18126.0°125.2°
N17C16N15108.8°109.6°
C16N17H171125.7°126.4°
C13C14N15107.4°107.4°
C13C14C22131.7°126.3°
C21C18C19109.1°109.5°
C21C18C16109.3°109.5°
C21C18C20111.4°109.5°
C18C21H213109.5°109.5°
C18C21H212109.5°109.5°
C18C21H211109.5°109.4°
C19C18C16109.6°109.4°
C19C18C20112.4°109.4°
C18C19H192109.5°109.5°
C18C19H193109.5°109.5°
C18C19H191109.5°109.5°
C18C16N15125.2°125.2°
C16C18C20104.9°109.5°
C16N15C14107.7°109.6°
C18C20H202109.5°109.4°
C18C20H201109.5°109.5°
C18C20H203109.4°109.4°
N15C14C22120.8°126.3°
C14C22C27123.4°120.1°
C14C22C23116.0°120.1°
C22C27C26118.8°119.9°
C27C22C23120.6°119.8°
C22C27H271120.6°120.0°
C27C26C25120.5°120.1°
C27C26H261119.8°120.0°
C26C27H271120.6°120.1°
C22C23C24120.6°119.9°
C22C23H231119.7°120.1°
C26C25C24120.4°120.2°
C26C25F28120.9°119.9°
C25C26H261119.8°119.9°
C23C24C25119.2°120.1°
C23C24H241120.4°119.9°
C24C23H231119.7°120.0°
C24C25F28118.8°119.9°
C25C24H241120.4°119.9°
H202C20H201109.4°109.5°
H202C20H203109.5°109.5°
H201C20H203109.5°109.5°
H213C21H212109.5°109.5°
H213C21H211109.4°109.5°
H212C21H211109.5°109.4°
H012C01H013109.5°109.4°
H012C01H011109.5°109.5°
H013C01H011109.5°109.4°
H032C03H033109.5°109.5°
H032C03H031109.4°109.5°
H033C03H031109.5°109.5°
H042C04H043109.5°109.5°
H042C04H041109.4°109.5°
H043C04H041109.5°109.4°
H052C05H051109.4°109.5°
H192C19H193109.4°109.5°
H192C19H191109.4°109.4°
H193C19H191109.5°109.4°
H311N31H312109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N31C30N06N29178.8°179.8°
N31C30N06C051.5°0.1°
N31C30N06C07179.6°179.9°
N31C30N29C08179.4°179.8°
C30N31H311H312120.0°179.9°
C03C02C01C05120.8°120.0°
C03C02C01C04117.7°120.1°
C03C02C05C04118.0°120.1°
C03C02C05N06148.8°60.0°
C03C02C01H012180.0°180.0°
C03C02C01H01360.0°60.0°
C03C02C01H01160.0°60.0°
C02C03H032H033120.0°120.0°
C02C03H032H031120.0°120.0°
C02C03H033H031120.0°120.0°
C03C02C04H042180.0°180.0°
C03C02C04H04360.0°59.9°
C03C02C04H04160.0°60.0°
C03C02C05H05228.2°60.0°
C03C02C05H05190.5°180.0°
C01C02C05C04121.3°119.9°
C01C02C05N0628.1°60.0°
C02C01H012H013120.0°120.0°
C02C01H012H011120.0°120.1°
C02C01H013H011120.0°120.0°
C01C02C03H032180.0°60.0°
C01C02C03H03360.0°180.0°
C01C02C03H03160.0°60.0°
C01C02C04H04261.1°60.0°
C01C02C04H043178.8°180.0°
C01C02C04H04158.8°60.1°
C01C02C05H05292.6°180.0°
C01C02C05H051148.7°60.0°
C02C05N06C3095.2°90.0°
C02C05N06H052120.6°120.0°
C02C05N06H051120.7°120.0°
C02C05N06C0786.1°90.1°
C05C02C01H01259.2°60.0°
C05C02C01H013179.3°180.0°
C05C02C01H01160.8°60.0°
C05C02C03H03258.4°180.0°
C05C02C03H03361.6°60.0°
C05C02C03H031178.4°60.0°
C05C02C04H04260.9°60.0°
C05C02C04H04359.1°60.1°
C05C02C04H041179.1°180.0°
C02C05H052H051118.0°120.0°
C04C02C05N0693.2°179.9°
C04C02C01H01262.3°59.9°
C04C02C01H01357.8°60.0°
C04C02C01H011177.7°180.0°
C04C02C03H03261.0°60.0°
C04C02C03H033179.0°60.0°
C04C02C03H03158.9°180.0°
C02C04H042H043120.0°120.0°
C02C04H042H041120.0°120.0°
C02C04H043H041120.0°119.9°
C04C02C05H052146.2°60.1°
C04C02C05H05127.5°60.0°
C30N06C05C07178.7°179.9°
N06C30N29C080.6°0.4°
C30N06C07C080.7°0.0°
C30N06C07N12180.0°179.7°
C30N06C05H05225.4°29.9°
C30N06C05H051144.1°150.0°
N06C30N31H311178.6°0.0°
N06C30N31H31258.6°180.0°
N29C30N06C05179.7°179.7°
N29C30N06C070.8°0.2°
C30N29C08C070.1°0.4°
C30N29C08C09179.9°180.0°
N29C30N31H3110.0°179.8°
N29C30N31H312120.0°0.2°
C05N06C07C08179.7°180.0°
C05N06C07N121.0°0.3°
N06C05H052H051118.0°120.0°
N06C07C08N290.4°0.3°
N06C07C08N12179.3°179.7°
N06C07C08C09179.4°180.0°
N06C07N12C11179.7°179.9°
C07N06C05H052153.3°150.0°
C07N06C05H05134.6°29.9°
N29C08C07C09179.8°179.7°
N29C08C07N12179.7°180.0°
N29C08C09C10179.9°179.7°
N29C08C09H0910.1°0.4°
C08C07N12C110.5°0.3°
C07C08C09C100.1°0.1°
C07C08C09H091179.9°180.0°
N12C07C08C090.1°0.3°
C07N12C11C100.6°0.0°
C07N12C11C13179.7°180.0°
C08C09C10H091180.0°179.9°
C08C09C10C110.0°0.2°
C08C09C10H101179.9°180.0°
N12C11C10C090.3°0.2°
N12C11C10C13179.7°180.0°
N12C11C13N1732.9°154.7°
N12C11C13C14143.5°25.0°
N12C11C10H101179.7°180.0°
C09C10C11H101180.0°179.8°
C09C10C11C13180.0°179.7°
C10C11C13N17146.9°25.3°
C10C11C13C1436.7°155.0°
C11C10C09H091180.0°179.7°
C11C13N17C14177.2°179.8°
C11C13N17C16178.4°179.8°
C11C13C14N15178.3°180.0°
C11C13C14C224.4°0.0°
C13C11C10H1010.0°0.0°
C11C13N17H1711.6°0.2°
C13N17C16H171180.0°179.6°
C13N17C16C18178.2°179.8°
C13N17C16N150.4°0.4°
N17C13C14N151.6°0.3°
N17C13C14C22178.8°179.7°
C16N17C13C141.2°0.4°
N17C16C18C2136.2°75.4°
N17C16C18C1983.3°164.6°
N17C16C18N15178.5°179.7°
N17C16C18C20155.8°44.7°
N17C16N15C140.6°0.2°
C13C14N15C161.3°0.0°
C13C14N15C22177.6°180.0°
C13C14C22C2764.6°35.3°
C13C14C22C23116.7°145.0°
C14C13N17H171178.8°180.0°
C21C18C19C16119.7°120.0°
C21C18C19C20124.1°120.0°
C21C18C16C20119.6°120.1°
C21C18C16N15142.2°104.9°
C21C18C20H202180.0°60.0°
C21C18C20H20160.0°180.0°
C21C18C20H20360.0°60.0°
C18C21H213H212120.0°120.1°
C18C21H213H211120.0°120.0°
C18C21H212H211120.0°119.9°
C21C18C19H192180.0°60.0°
C21C18C19H19360.0°180.0°
C21C18C19H19160.0°60.0°
C19C18C16C20120.9°119.9°
C19C18C16N1598.2°15.1°
C19C18C20H20257.2°60.0°
C19C18C20H20162.8°60.0°
C19C18C20H203177.2°180.0°
C19C18C21H213180.0°60.0°
C19C18C21H21260.0°60.0°
C19C18C21H21160.0°180.0°
C18C19H192H193120.0°120.1°
C18C19H192H191120.0°120.0°
C18C19H193H191120.0°120.0°
C18C16N15C14179.2°180.0°
C16C18C20H20261.9°180.0°
C16C18C20H201178.1°60.0°
C16C18C20H20358.1°60.1°
C16C18C21H21360.1°60.0°
C16C18C21H212179.9°180.0°
C16C18C21H21159.9°60.1°
C16C18C19H19260.3°60.0°
C16C18C19H19359.7°60.0°
C16C18C19H191179.7°180.0°
C18C16N17H1711.8°0.2°
N15C16C18C2022.7°135.0°
C16N15C14C22178.9°180.0°
N15C16N17H171179.6°180.0°
C18C20H202H201120.0°120.0°
C18C20H202H203120.0°119.9°
C18C20H201H203120.0°120.0°
C20C18C21H21355.3°180.0°
C20C18C21H21264.7°59.9°
C20C18C21H211175.3°60.0°
C20C18C19H19255.9°180.0°
C20C18C19H193175.9°59.9°
C20C18C19H19164.1°60.0°
N15C14C22C27118.5°144.7°
N15C14C22C2360.2°35.0°
C14C22C27C23178.7°179.6°
C14C22C27C26179.1°179.7°
C14C22C23C24178.9°180.0°
C14C22C23H2311.1°0.1°
C14C22C27H2710.9°0.3°
C22C27C26H271180.0°180.0°
C22C27C26C250.5°0.5°
C27C22C23C240.1°0.3°
C22C27C26H261179.5°179.7°
C27C22C23H231179.9°179.7°
C26C27C22C230.4°0.1°
C27C26C25H261180.0°179.2°
C27C26C25C240.3°0.7°
C27C26C25F28179.8°179.2°
C22C23C24H231180.0°180.0°
C22C23C24C250.1°0.1°
C22C23C24H241179.9°180.0°
C23C22C27H271179.6°180.0°
C26C25C24C230.0°0.5°
C26C25C24F28179.5°180.0°
C26C25C24H241180.0°179.5°
C25C26C27H271179.5°179.5°
C23C24C25H241180.0°179.9°
C23C24C25F28179.5°179.5°
C24C25C26H261179.7°179.9°
C25C24C23H231179.8°180.0°
F28C25C24H2410.5°0.5°
F28C25C26H2610.2°0.0°
H101C10C09H0910.1°0.1°
H202C20H201H203120.0°120.0°
H213C21H212H211120.0°120.0°
H241C24C23H2310.1°0.0°
H261C26C27H2710.5°0.3°
H012C01H013H011120.0°119.9°
H032C03H033H031119.9°120.0°
H042C04H043H041120.0°120.0°
H192C19H193H191119.9°119.9°

227344

PDB entries from 2024-11-13

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