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589

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.41Å1.36ÅAromatic
C1C6sing1.36Å1.37ÅAromatic
C2C3sing1.42Å1.46ÅAromatic
C2C10sing1.41Å1.35ÅAromatic
C3C4doub1.41Å1.37ÅAromatic
C3C7sing1.40Å1.38ÅAromatic
C4C5sing1.36Å1.36ÅAromatic
C5C6doub1.39Å1.37ÅAromatic
C7C8doub1.38Å1.36ÅAromatic
C8C9sing1.40Å1.39ÅAromatic
C8N11sing1.40Å1.33Å
C9C10doub1.36Å1.38ÅAromatic
N11C12sing1.38Å1.32Å
N11C15sing1.35Å1.28Å
C12N13doub1.30Å1.32Å
C12C23sing1.48Å1.48Å
N13N14sing1.40Å1.33Å
N14C15sing1.35Å1.29Å
N14C17sing1.47Å1.45Å
C15O16doub1.22Å1.25Å
C17C18sing1.53Å1.48Å
C17C22sing1.53Å1.49Å
C18C19sing1.53Å1.49Å
C19O20sing1.43Å1.39Å
O20C21sing1.43Å1.42Å
C21C22sing1.53Å1.51Å
C23C24doub1.40Å1.35ÅAromatic
C23C28sing1.40Å1.37ÅAromatic
C24C25sing1.38Å1.35ÅAromatic
C25N26doub1.32Å1.29ÅAromatic
N26C27sing1.33Å1.33ÅAromatic
C27C28doub1.39Å1.37ÅAromatic
C27N29sing1.39Å1.33Å
N29C30sing1.47Å1.42Å
C30C31sing1.53Å1.50Å
C30C35sing1.53Å1.51Å
C31C32sing1.53Å1.51Å
C32C33sing1.53Å1.50Å
C33C34sing1.53Å1.50Å
C34C35sing1.53Å1.51Å
C1H1sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C17H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C24H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
N29HN29sing0.97Å1.00Å
C30H30sing1.09Å1.10Å
C31H31sing1.09Å1.10Å
C31H31Asing1.09Å1.10Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C35H35sing1.09Å1.10Å
C35H35Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6118.7°119.7°
C1C2C3120.2°119.3°
C1C2C10122.6°121.1°
C2C1H1120.7°120.2°
C1C6C5122.2°121.0°
C6C1H1120.7°120.2°
C1C6H6118.9°119.5°
C3C2C10117.2°119.6°
C2C3C4118.3°119.4°
C2C3C7119.5°119.4°
C2C10C9119.2°119.8°
C2C10H10120.4°120.1°
C4C3C7122.2°121.2°
C3C4C5120.0°119.7°
C3C4H4120.0°120.2°
C3C7C8124.2°119.5°
C3C7H7117.9°120.2°
C4C5C6120.6°121.0°
C5C4H4120.0°120.2°
C4C5H5119.7°119.5°
C6C5H5119.7°119.6°
C5C6H6118.9°119.5°
C7C8C9113.4°120.7°
C7C8N11122.9°119.6°
C8C7H7117.9°120.3°
C9C8N11123.7°119.7°
C8C9C10126.5°120.9°
C8C9H9116.8°119.6°
C8N11C12127.1°125.9°
C8N11C15123.0°125.9°
C10C9H9116.7°119.5°
C9C10H10120.4°120.1°
C12N11C15109.9°108.2°
N11C12N13106.0°108.5°
N11C12C23133.7°125.7°
N11C15N14108.8°107.7°
N11C15O16124.1°126.2°
N13C12C23120.3°125.7°
C12N13N14107.5°108.0°
C12C23C24121.5°120.9°
C12C23C28121.2°120.9°
N13N14C15107.8°107.6°
N13N14C17111.6°126.2°
C15N14C17140.6°126.2°
N14C15O16127.1°126.2°
N14C17C18115.0°109.5°
N14C17C22115.0°109.5°
N14C17H17100.5°109.6°
C18C17C22107.0°109.0°
C17C18C19106.1°109.2°
C18C17H17109.6°109.6°
C17C18H18110.6°109.6°
C17C18H18A110.6°109.5°
C17C22C21110.3°109.1°
C22C17H17109.5°109.6°
C17C22H22109.2°109.5°
C17C22H22A109.2°109.5°
C18C19O20108.5°109.4°
C19C18H18110.6°109.5°
C19C18H18A110.6°109.5°
C18C19H19109.8°109.5°
C18C19H19A109.8°109.5°
C19O20C21116.1°114.1°
O20C19H19109.8°109.5°
O20C19H19A109.8°109.5°
O20C21C22114.8°109.4°
O20C21H21107.7°109.5°
O20C21H21A107.7°109.5°
C22C21H21107.7°109.5°
C22C21H21A107.7°109.5°
C21C22H22109.2°109.5°
C21C22H22A109.2°109.5°
C24C23C28117.3°118.3°
C23C24C25119.5°119.1°
C23C24H24120.2°120.5°
C23C28C27121.2°118.9°
C23C28H28119.4°120.6°
C24C25N26122.4°121.0°
C25C24H24120.2°120.4°
C24C25H25118.8°119.4°
C25N26C27121.1°121.9°
N26C25H25118.8°119.5°
N26C27C28118.4°120.7°
N26C27N29117.8°119.6°
C28C27N29123.8°119.7°
C27C28H28119.4°120.5°
C27N29C30126.0°120.0°
C27N29HN29104.3°120.0°
N29C30C31109.0°109.4°
N29C30C35109.6°109.5°
C30N29HN29104.3°120.0°
N29C30H30109.5°109.4°
C31C30C35108.8°109.5°
C30C31C32110.7°109.4°
C31C30H30110.2°109.5°
C30C31H31109.1°109.5°
C30C31H31A109.1°109.5°
C30C35C34112.2°109.4°
C35C30H30109.7°109.5°
C30C35H35108.6°109.4°
C30C35H35A108.6°109.5°
C31C32C33113.3°109.5°
C32C31H31109.1°109.4°
C32C31H31A109.1°109.5°
C31C32H32108.2°109.5°
C31C32H32A108.2°109.5°
C32C33C34108.4°109.4°
C33C32H32108.2°109.5°
C33C32H32A108.2°109.5°
C32C33H33109.8°109.5°
C32C33H33A109.8°109.4°
C33C34C35113.2°109.5°
C34C33H33109.8°109.5°
C34C33H33A109.8°109.5°
C33C34H34108.2°109.5°
C33C34H34A108.2°109.4°
C35C34H34108.2°109.5°
C35C34H34A108.2°109.5°
C34C35H35108.5°109.5°
C34C35H35A108.5°109.5°
H18C18H18A108.3°109.6°
H19C19H19A109.1°109.5°
H21C21H21A111.2°109.5°
H22C22H22A109.7°109.6°
H31C31H31A109.9°109.5°
H32C32H32A110.7°109.4°
H33C33H33A109.1°109.4°
H34C34H34A110.7°109.4°
H35C35H35A110.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°179.8°
C1C2C3C10179.7°179.9°
C1C2C3C40.2°0.0°
C1C2C3C7179.9°180.0°
C2C1C6C50.4°0.0°
C1C2C10C9179.9°180.0°
C2C1C6H6179.6°180.0°
C1C2C10H100.1°0.1°
C6C1C2C30.0°0.0°
C6C1C2C10179.6°179.9°
C1C6C5C41.1°0.0°
C1C6C5H6180.0°179.9°
C1C6C5H5178.9°180.0°
C2C3C4C7179.9°180.0°
C2C3C4C50.9°0.0°
C2C3C7C80.5°0.1°
C3C2C10C90.5°0.0°
C3C2C1H1179.9°179.8°
C2C3C4H4179.1°180.0°
C2C3C7H7179.6°180.0°
C3C2C10H10179.6°180.0°
C10C2C3C4179.9°180.0°
C10C2C3C70.2°0.1°
C2C10C9C81.0°0.0°
C2C10C9H10180.0°180.0°
C10C2C1H10.4°0.3°
C2C10C9H9179.0°180.0°
C3C4C5H4180.0°180.0°
C3C4C5C61.4°0.0°
C4C3C7C8179.7°179.9°
C3C4C5H5178.7°180.0°
C4C3C7H70.3°0.0°
C7C3C4C5179.2°180.0°
C3C7C8H7180.0°179.9°
C3C7C8C90.9°0.1°
C3C7C8N11179.8°180.0°
C7C3C4H40.8°0.0°
C4C5C6H5180.0°180.0°
C4C5C6H6178.9°180.0°
C5C6C1H1179.6°179.8°
C6C5C4H4178.7°180.0°
C7C8C9N11179.3°179.9°
C7C8C9C101.2°0.0°
C7C8N11C12125.0°82.7°
C7C8N11C1554.2°97.1°
C7C8C9H9178.8°179.9°
C8C9C10H9180.0°180.0°
C9C8N11C1255.7°97.3°
C9C8N11C15125.1°82.9°
C9C8C7H7179.1°180.0°
C8C9C10H10179.0°180.0°
N11C8C9C10179.5°180.0°
C8N11C12C15179.3°179.8°
C8N11C12N13178.6°180.0°
C8N11C12C231.5°0.1°
C8N11C15N14178.9°179.8°
C8N11C15O160.5°0.1°
N11C8C7H70.2°0.1°
N11C8C9H90.5°0.0°
N11C12N13C23177.5°179.9°
N11C12N13N141.6°0.1°
C12N11C15N141.8°0.4°
C12N11C15O16179.8°179.7°
N11C12C23C2430.5°6.4°
N11C12C23C28150.8°173.4°
C15N11C12N132.1°0.2°
C15N11C12C23179.2°179.7°
N11C15N14N130.7°0.4°
N11C15N14O16178.3°179.9°
N11C15N14C17179.2°179.8°
C12N13N14C150.6°0.3°
C12N13N14C17178.4°180.0°
N13C12C23C24152.8°173.7°
N13C12C23C2825.9°6.5°
C23C12N13N14179.1°180.0°
C12C23C24C28178.7°179.8°
C12C23C24C25179.1°180.0°
C12C23C28C27179.7°179.7°
C12C23C24H240.9°0.0°
C12C23C28H280.3°0.1°
N13N14C15C17178.5°179.8°
N13N14C15O16179.0°179.7°
N13N14C17C18114.3°60.0°
N13N14C17C22120.7°59.5°
N13N14C17H173.2°179.8°
C15N14C17C1867.2°119.7°
C15N14C17C2257.7°120.8°
C15N14C17H17175.2°0.5°
C17N14C15O162.5°0.0°
N14C17C18C22129.0°119.8°
N14C17C18H17112.3°120.2°
N14C17C22H17112.3°120.3°
N14C17C18C19161.8°176.8°
N14C17C22C21175.4°176.8°
N14C17C18H1878.2°56.9°
N14C17C18H18A41.9°63.3°
N14C17C22H2255.4°63.3°
N14C17C22H22A64.6°57.0°
C18C17C22H17118.7°119.9°
C17C18C19H18120.0°120.0°
C17C18C19H18A120.0°119.8°
C17C18C19O2068.2°57.7°
C18C17C22C2155.6°57.0°
C17C18H18H18A121.4°120.2°
C17C18C19H19171.8°177.6°
C17C18C19H19A51.8°62.3°
C18C17C22H22175.5°176.9°
C18C17C22H22A64.4°62.8°
C22C17C18C1969.1°57.0°
C17C22C21O2041.8°57.6°
C17C22C21H22120.0°119.9°
C17C22C21H22A120.0°119.9°
C22C17C18H1850.8°62.9°
C22C17C18H18A170.9°176.9°
C17C22C21H21161.8°177.6°
C17C22C21H21A78.2°62.4°
C17C22H22H22A119.7°120.2°
C18C19O20H19120.0°120.0°
C18C19O20H19A120.0°120.0°
C18C19O20C2154.9°61.2°
C19C18C17H1749.5°62.9°
C19C18H18H18A121.4°120.1°
C18C19H19H19A120.4°120.0°
C19O20C21C2242.4°61.2°
O20C19C18H1851.8°62.3°
O20C19C18H18A171.8°177.5°
O20C19H19H19A120.4°120.0°
C19O20C21H21162.4°178.8°
C19O20C21H21A77.6°58.9°
O20C21C22H21120.0°120.0°
O20C21C22H21A120.0°120.0°
C21O20C19H19174.9°178.9°
C21O20C19H19A65.1°58.8°
O20C21H21H21A117.8°120.0°
O20C21C22H22161.8°177.5°
O20C21C22H22A78.2°62.2°
C21C22C17H1763.2°62.9°
C22C21H21H21A117.8°120.0°
C21C22H22H22A119.7°120.1°
C23C24C25H24180.0°180.0°
C23C24C25N260.9°0.0°
C24C23C28C271.0°0.5°
C23C24C25H25179.2°180.0°
C24C23C28H28179.0°179.7°
C28C23C24C250.4°0.2°
C23C28C27N260.4°0.5°
C23C28C27H28180.0°179.8°
C23C28C27N29178.8°179.8°
C28C23C24H24179.6°179.8°
C24C25N26H25180.0°180.0°
C24C25N26C271.5°0.0°
C25N26C27C280.9°0.3°
C25N26C27N29179.9°180.0°
N26C25C24H24179.2°180.0°
N26C27C28N29179.1°179.7°
N26C27N29C30169.4°179.9°
C27N26C25H25178.5°179.9°
N26C27C28H28179.6°179.7°
N26C27N29HN2970.6°0.0°
C28C27N29C3011.5°0.2°
C28C27N29HN29108.5°179.7°
C27N29C30HN29120.0°180.0°
C27N29C30C31163.7°155.0°
C27N29C30C3577.3°85.0°
N29C27C28H281.3°0.0°
C27N29C30H3043.0°35.0°
N29C30C31C35119.5°120.0°
N29C30C31H30120.2°119.9°
N29C30C35H30120.3°120.0°
N29C30C31C32176.4°180.0°
N29C30C35C34174.5°180.0°
N29C30C31H3163.6°60.0°
N29C30C31H31A56.4°60.1°
N29C30C35H3554.6°60.0°
N29C30C35H35A65.5°60.0°
C31C30C35H30120.7°120.0°
C30C31C32H31120.0°120.0°
C30C31C32H31A120.0°120.0°
C30C31C32C3359.1°60.0°
C31C30C35C3455.5°60.0°
C31C30N29HN2943.7°25.1°
C30C31H31H31A119.5°120.0°
C30C31C32H3260.9°60.0°
C30C31C32H32A179.1°180.0°
C31C30C35H3564.5°60.0°
C31C30C35H35A175.4°180.0°
C35C30C31C3256.9°60.0°
C30C35C34C3355.0°60.0°
C30C35C34H35120.0°119.9°
C30C35C34H35A120.0°120.0°
C35C30N29HN29162.7°95.0°
C35C30C31H31176.9°179.9°
C35C30C31H31A63.1°60.0°
C30C35C34H3465.0°60.1°
C30C35C34H34A175.0°180.0°
C30C35H35H35A118.9°120.0°
C31C32C33H32120.0°120.1°
C31C32C33H32A120.0°120.0°
C31C32C33C3455.0°60.0°
C32C31C30H3063.4°60.0°
C32C31H31H31A119.5°120.0°
C31C32H32H32A118.4°120.0°
C31C32C33H33175.0°179.9°
C31C32C33H33A65.0°60.0°
C32C33C34H33120.0°120.1°
C32C33C34H33A120.0°119.9°
C32C33C34C3552.5°60.0°
C33C32C31H31179.1°180.0°
C33C32C31H31A60.9°60.0°
C33C32H32H32A118.4°119.9°
C32C33H33H33A120.4°119.9°
C32C33C34H3467.4°60.1°
C32C33C34H34A172.5°180.0°
C33C34C35H34120.0°120.1°
C33C34C35H34A120.0°120.0°
C34C33C32H3265.0°60.1°
C34C33C32H32A175.0°180.0°
C34C33H33H33A120.4°120.0°
C33C34H34H34A118.5°119.9°
C33C34C35H3565.0°59.9°
C33C34C35H35A175.0°180.0°
C34C35C30H3065.2°60.0°
C35C34C33H33172.5°180.0°
C35C34C33H33A67.5°59.9°
C35C34H34H34A118.4°120.0°
C34C35H35H35A118.8°120.1°
H1C1C6H60.3°0.2°
H4C4C5H51.3°0.0°
H5C5C6H61.1°0.1°
H9C9C10H101.0°0.0°
H17C17C18H18169.5°177.1°
H17C17C18H18A70.4°56.9°
H17C17C22H2256.8°57.0°
H17C17C22H22A176.8°177.2°
H18C18C19H1968.2°57.6°
H18C18C19H19A171.8°177.7°
H18AC18C19H1951.8°62.5°
H18AC18C19H19A68.2°57.5°
H21C21C22H2278.2°62.5°
H21C21C22H22A41.8°57.7°
H21AC21C22H2241.8°57.5°
H21AC21C22H22A161.8°177.8°
H24C24C25H250.8°0.0°
HN29N29C30H3077.0°145.0°
H30C30C31H3156.6°59.9°
H30C30C31H31A176.6°180.0°
H30C30C35H35174.8°180.0°
H30C30C35H35A54.8°60.0°
H31C31C32H3259.1°59.9°
H31C31C32H32A60.9°60.0°
H31AC31C32H32179.1°180.0°
H31AC31C32H32A59.1°60.1°
H32C32C33H3355.0°60.0°
H32C32C33H33A175.0°179.9°
H32AC32C33H3365.0°59.9°
H32AC32C33H33A55.0°60.0°
H33C33C34H3452.5°60.0°
H33C33C34H34A67.5°59.9°
H33AC33C34H34172.5°180.0°
H33AC33C34H34A52.5°60.1°
H34C34C35H35175.0°180.0°
H34C34C35H35A55.1°59.9°
H34AC34C35H3555.0°60.1°
H34AC34C35H35A65.0°60.0°

248636

PDB entries from 2026-02-04

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