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IR2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C04O03sing1.43Å1.42Å
C04C05sing1.53Å1.52Å
O03C02sing1.43Å1.41Å
C02C01sing1.53Å1.52Å
C05N06sing1.47Å1.41Å
C01N06sing1.47Å1.41Å
N06C07sing1.40Å1.44Å
C07C08doub1.39Å1.40ÅAromatic
C07C12sing1.39Å1.39ÅAromatic
C08C09sing1.38Å1.39ÅAromatic
C12C11doub1.38Å1.39ÅAromatic
C09C10doub1.39Å1.39ÅAromatic
C11C10sing1.39Å1.39ÅAromatic
C10N13sing1.40Å1.41Å
N13C14sing1.36Å1.41Å
N13C22sing1.35Å1.39Å
C14N15doub1.30Å1.42Å
O23C22doub1.22Å1.22Å
C22C21sing1.47Å1.51Å
N15C16sing1.36Å1.42Å
C21C16doub1.41Å1.37ÅAromatic
C21C20sing1.39Å1.41ÅAromatic
C16C17sing1.40Å1.43ÅAromatic
C20C19doub1.39Å1.40ÅAromatic
C17C18doub1.36Å1.39ÅAromatic
C19C18sing1.40Å1.41ÅAromatic
C19C24sing1.48Å1.40Å
C32C31doub1.36Å1.41ÅAromatic
C32C33sing1.40Å1.44ÅAromatic
C31C30sing1.39Å1.40ÅAromatic
C24C33doub1.42Å1.46ÅAromatic
C24C25sing1.39Å1.39ÅAromatic
C33C28sing1.42Å1.36ÅAromatic
C30C29doub1.36Å1.40ÅAromatic
C25C26doub1.39Å1.41ÅAromatic
C28C29sing1.41Å1.44ÅAromatic
C28N27doub1.34Å1.40ÅAromatic
C26N27sing1.31Å1.35ÅAromatic
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C02H3sing1.09Å1.10Å
C02H4sing1.09Å1.10Å
C04H5sing1.09Å1.10Å
C04H6sing1.09Å1.10Å
C05H7sing1.09Å1.10Å
C05H8sing1.09Å1.10Å
C08H9sing1.08Å1.08Å
C09H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C14H13sing1.08Å1.08Å
C17H14sing1.08Å1.08Å
C18H15sing1.08Å1.08Å
C20H16sing1.08Å1.08Å
C25H17sing1.08Å1.08Å
C26H18sing1.08Å1.08Å
C29H19sing1.08Å1.08Å
C30H20sing1.08Å1.08Å
C31H21sing1.08Å1.08Å
C32H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O03C04C05114.3°109.3°
C04O03C02113.6°113.8°
O03C04H5108.3°109.4°
O03C04H6108.2°109.5°
C04C05N06114.2°109.2°
C05C04H5108.2°109.5°
C05C04H6108.3°109.5°
C04C05H7108.3°109.5°
C04C05H8108.3°109.5°
O03C02C01112.9°109.3°
O03C02H3108.6°109.5°
O03C02H4108.6°109.5°
C02C01N06117.0°109.2°
C02C01H1107.6°109.5°
C02C01H2107.6°109.6°
C01C02H3108.6°109.5°
C01C02H4108.6°109.6°
C05N06C01116.2°110.8°
C05N06C07116.4°111.0°
N06C05H7108.3°109.5°
N06C05H8108.3°109.5°
C01N06C07117.4°111.0°
N06C01H1107.5°109.5°
N06C01H2107.6°109.5°
N06C07C08118.8°120.0°
N06C07C12121.5°120.0°
C08C07C12119.6°120.0°
C07C08C09120.5°120.0°
C07C08H9119.8°120.0°
C07C12C11119.7°120.0°
C07C12H12120.1°120.0°
C08C09C10119.8°120.0°
C09C08H9119.8°120.1°
C08C09H10120.1°120.0°
C12C11C10120.2°120.0°
C12C11H11119.9°120.0°
C11C12H12120.1°120.0°
C09C10C11120.0°120.0°
C09C10N13118.7°120.0°
C10C09H10120.1°120.0°
C11C10N13120.7°120.0°
C10C11H11119.9°120.0°
C10N13C14114.7°119.8°
C10N13C22125.3°119.7°
C14N13C22119.9°120.6°
N13C14N15122.8°123.4°
N13C14H13118.6°118.3°
N13C22O23119.2°121.4°
N13C22C21117.2°117.4°
C14N15C16118.4°121.7°
N15C14H13118.6°118.3°
O23C22C21123.6°121.3°
C22C21C16121.6°118.0°
C22C21C20120.6°121.9°
N15C16C21120.1°119.0°
N15C16C17116.7°121.5°
C16C21C20117.8°120.1°
C21C16C17123.2°119.6°
C21C20C19120.9°119.3°
C21C20H16119.6°120.3°
C16C17C18118.0°120.0°
C16C17H14121.0°120.0°
C20C19C18120.0°120.3°
C20C19C24120.8°119.9°
C19C20H16119.5°120.4°
C17C18C19120.2°120.8°
C18C17H14121.0°120.0°
C17C18H15119.9°119.6°
C18C19C24119.2°119.8°
C19C18H15119.9°119.6°
C19C24C33122.5°121.1°
C19C24C25118.4°121.1°
C31C32C33123.8°119.6°
C32C31C30117.3°120.8°
C32C31H21121.4°119.5°
C31C32H22118.1°120.2°
C32C33C24123.8°121.4°
C32C33C28117.5°119.7°
C33C32H22118.1°120.2°
C31C30C29119.9°121.0°
C31C30H20120.0°119.4°
C30C31H21121.4°119.6°
C33C24C25119.0°117.8°
C24C33C28118.8°118.9°
C24C25C26120.7°119.6°
C24C25H17119.7°120.2°
C33C28C29119.7°119.0°
C33C28N27119.7°120.0°
C30C29C28121.8°119.8°
C30C29H19119.1°120.1°
C29C30H20120.1°119.5°
C25C26N27118.4°121.9°
C26C25H17119.6°120.2°
C25C26H18120.8°119.0°
C29C28N27120.6°121.0°
C28C29H19119.1°120.1°
C28N27C26123.4°121.8°
N27C26H18120.8°119.1°
H1C01H2109.5°109.6°
H3C02H4109.5°109.5°
H5C04H6109.4°109.6°
H7C05H8109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O03C04C05H5120.7°119.8°
O03C04C05H6120.7°120.0°
C04O03C02C0140.0°58.7°
O03C04C05N0621.0°56.8°
C04O03C02H380.5°178.6°
C04O03C02H4160.5°61.4°
O03C04H5H6117.8°120.1°
O03C04C05H799.7°63.1°
O03C04C05H8141.7°176.8°
C05C04O03C0256.2°58.6°
C04C05N06H7120.7°119.9°
C04C05N06H8120.7°119.9°
C04C05N06C0127.5°58.7°
C04C05N06C07117.2°177.6°
C05C04H5H6117.8°120.2°
C04C05H7H8117.8°120.1°
O03C02C01H3120.5°119.9°
O03C02C01H4120.5°120.0°
O03C02C01N068.7°56.9°
O03C02C01H1112.4°176.8°
O03C02C01H2129.7°63.0°
O03C02H3H4118.4°120.1°
C02O03C04H5176.9°61.3°
C02O03C04H664.6°178.6°
C02C01N06C0543.4°58.7°
C02C01N06H1121.1°119.9°
C02C01N06H2121.1°120.0°
C02C01N06C07101.0°177.6°
C02C01H1H2116.6°120.2°
C01C02H3H4118.4°120.1°
C05N06C01C07144.3°123.7°
C05N06C07C0826.5°56.4°
C05N06C07C12151.4°123.9°
C05N06C01H177.7°178.6°
C05N06C01H2164.5°61.3°
N06C05C04H5141.8°63.0°
N06C05C04H699.7°176.8°
N06C05H7H8117.8°120.2°
C01N06C07C08170.7°180.0°
C01N06C07C127.2°0.3°
N06C01H1H2116.6°120.1°
N06C01C02H3129.2°176.8°
N06C01C02H4111.8°63.1°
C01N06C05H7148.2°61.3°
C01N06C05H893.2°178.6°
N06C07C08C12177.9°179.7°
N06C07C08C09179.6°179.7°
N06C07C12C11178.6°179.7°
C07N06C01H1137.9°57.7°
C07N06C01H220.1°62.4°
C07N06C05H73.5°62.5°
C07N06C05H8122.1°57.7°
N06C07C08H90.4°0.3°
N06C07C12H121.4°0.3°
C07C08C09H9180.0°180.0°
C08C07C12C110.7°0.0°
C07C08C09C100.7°0.0°
C07C08C09H10179.3°180.0°
C08C07C12H12179.3°180.0°
C12C07C08C091.6°0.0°
C07C12C11H12180.0°179.9°
C07C12C11C102.4°0.0°
C12C07C08H9178.4°180.0°
C07C12C11H11177.6°179.9°
C08C09C10H10180.0°180.0°
C08C09C10C113.9°0.0°
C08C09C10N13175.1°180.0°
C12C11C10C094.7°0.0°
C12C11C10H11180.0°180.0°
C12C11C10N13175.8°180.0°
C09C10C11N13171.1°180.0°
C09C10N13C1431.0°112.5°
C09C10N13C22153.6°67.6°
C10C09C08H9179.3°180.0°
C09C10C11H11175.2°180.0°
C11C10N13C14140.2°67.5°
C11C10N13C2235.2°112.4°
C11C10C09H10176.1°180.0°
C10C11C12H12177.6°180.0°
C10N13C14C22175.7°180.0°
C10N13C14N15177.6°180.0°
C10N13C22O233.4°0.2°
C10N13C22C21176.7°179.5°
N13C10C09H104.9°0.0°
N13C10C11H114.1°0.0°
C10N13C14H132.4°0.3°
N13C14N15H13180.0°179.7°
C14N13C22O23178.5°179.8°
C14N13C22C211.6°0.5°
N13C14N15C161.5°0.3°
C22N13C14N151.9°0.0°
N13C22O23C21179.9°179.3°
N13C22C21C161.0°0.7°
N13C22C21C20179.3°179.8°
C22N13C14H13178.1°179.7°
C14N15C16C210.9°0.0°
C14N15C16C17180.0°180.0°
O23C22C21C16179.1°180.0°
O23C22C21C200.6°0.5°
C22C21C16N150.7°0.5°
C22C21C16C20179.7°179.5°
C22C21C16C17179.7°179.6°
C22C21C20C19179.3°179.5°
C22C21C20H160.7°0.5°
N15C16C21C17179.0°180.0°
N15C16C21C20179.6°180.0°
N15C16C17C18179.5°180.0°
C16N15C14H13178.5°180.0°
N15C16C17H140.5°0.1°
C16C21C20C191.0°0.0°
C21C16C17C180.5°0.0°
C21C16C17H14179.6°179.9°
C16C21C20H16179.0°180.0°
C20C21C16C170.6°0.0°
C21C20C19H16180.0°180.0°
C21C20C19C181.3°0.0°
C21C20C19C24179.0°179.9°
C16C17C18H14180.0°179.9°
C16C17C18C190.7°0.0°
C16C17C18H15179.3°179.9°
C20C19C18C171.1°0.0°
C20C19C18C24177.8°180.0°
C20C19C24C3351.8°129.9°
C20C19C24C25130.6°49.7°
C20C19C18H15178.9°179.9°
C17C18C19H15180.0°180.0°
C17C18C19C24178.9°180.0°
C18C19C24C33126.0°50.1°
C18C19C24C2551.6°130.3°
C19C18C17H14179.3°179.9°
C18C19C20H16178.8°180.0°
C19C24C33C320.4°0.0°
C19C24C33C25177.6°179.6°
C19C24C33C28179.2°179.9°
C19C24C25C26179.3°180.0°
C24C19C18H151.1°0.1°
C24C19C20H161.0°0.0°
C19C24C25H170.7°0.1°
C31C32C33H22180.0°179.9°
C32C31C30H21180.0°179.8°
C31C32C33C24178.7°179.9°
C31C32C33C281.7°0.2°
C32C31C30C291.2°0.2°
C32C31C30H20178.9°179.8°
C33C32C31C300.7°0.1°
C32C33C24C28179.6°179.9°
C32C33C24C25177.9°179.6°
C32C33C28C290.7°0.4°
C32C33C28N27179.0°180.0°
C33C32C31H21179.3°179.9°
C31C30C29H20180.0°180.0°
C31C30C29C282.1°0.0°
C31C30C29H19177.9°179.9°
C30C31C32H22179.3°180.0°
C33C24C25C261.7°0.3°
C24C33C28C29179.6°179.7°
C24C33C28N270.6°0.0°
C33C24C25H17178.3°179.8°
C24C33C32H221.3°0.2°
C25C24C33C281.7°0.3°
C24C25C26H17180.0°179.9°
C24C25C26N270.6°0.0°
C24C25C26H18179.4°179.9°
C33C28C29C301.1°0.3°
C33C28C29N27179.7°179.7°
C33C28N27C260.5°0.4°
C33C28C29H19178.9°179.7°
C28C33C32H22178.4°179.8°
C30C29C28H19180.0°179.9°
C30C29C28N27179.2°179.9°
C29C30C31H21178.8°180.0°
C25C26N27C280.5°0.3°
C25C26N27H18180.0°180.0°
C29C28N27C26179.3°180.0°
C28C29C30H20177.9°180.0°
C28N27C26H18179.5°179.7°
N27C28C29H190.8°0.0°
N27C26C25H17179.4°179.9°
H1C01C02H38.1°63.3°
H1C01C02H4127.1°56.8°
H2C01C02H3109.8°56.9°
H2C01C02H49.2°177.0°
H5C04C05H721.0°177.0°
H5C04C05H897.6°56.9°
H6C04C05H7139.6°56.9°
H6C04C05H821.0°63.3°
H9C08C09H100.7°0.0°
H11C11C12H122.5°0.0°
H14C17C18H150.7°0.0°
H17C25C26H180.6°0.0°
H19C29C30H202.1°0.0°
H20C30C31H211.1°0.0°
H21C31C32H220.7°0.2°

222415

PDB entries from 2024-07-10

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