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0JS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C02C03sing1.53Å1.55Å
C02C01sing1.53Å1.54Å
C08C07sing1.53Å1.53Å
C08C09sing1.53Å1.54Å
C03C04sing1.53Å1.55Å
C07C06sing1.53Å1.52Å
C07C09sing1.53Å1.53Å
C06N05sing1.46Å1.46Å
C04N05sing1.47Å1.44Å
N05C10sing1.37Å1.45Å
N11C10doub1.32Å1.32ÅAromatic
N11C12sing1.33Å1.33ÅAromatic
C10N18sing1.37Å1.36ÅAromatic
C31C12sing1.51Å1.53Å
C12N13doub1.31Å1.33ÅAromatic
N18N17sing1.40Å1.42ÅAromatic
N18C14sing1.37Å1.30ÅAromatic
N17C16doub1.31Å1.34ÅAromatic
C14N13sing1.34Å1.37ÅAromatic
C14C15doub1.39Å1.42ÅAromatic
C16C15sing1.40Å1.41ÅAromatic
C16C19sing1.51Å1.54Å
C15C20sing1.48Å1.52Å
O22C23sing1.43Å1.43Å
O22C21sing1.36Å1.41Å
C20C21doub1.40Å1.39ÅAromatic
C20C28sing1.40Å1.38ÅAromatic
C21C24sing1.39Å1.41ÅAromatic
O29C28sing1.36Å1.43Å
O29C30sing1.43Å1.42Å
C28C27doub1.39Å1.40ÅAromatic
C24C25doub1.38Å1.40ÅAromatic
C27C25sing1.38Å1.40ÅAromatic
C25BR2sing1.89Å1.96Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C24H241sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
C30H302sing1.09Å1.10Å
C30H303sing1.09Å1.10Å
C30H301sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C02H021sing1.09Å1.10Å
C02H022sing1.09Å1.10Å
C03H032sing1.09Å1.10Å
C03H031sing1.09Å1.10Å
C04H041sing1.09Å1.10Å
C04H042sing1.09Å1.10Å
C06H062sing1.09Å1.10Å
C06H061sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
C08H081sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H233sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C31H313sing1.09Å1.10Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C03C02C01107.5°109.5°
C02C03C04107.1°109.5°
C03C02H021109.9°109.5°
C03C02H022109.9°109.5°
C02C03H032110.1°109.4°
C02C03H031110.1°109.5°
C02C01H013109.5°109.5°
C02C01H011109.5°109.5°
C02C01H012109.5°109.4°
C01C02H021110.0°109.4°
C01C02H022110.0°109.5°
C07C08C0959.7°60.0°
C08C07C06110.7°117.5°
C08C07C0960.4°60.0°
C08C07H071119.1°117.5°
C07C08H081120.1°117.5°
C07C08H082120.1°117.5°
C08C09C0760.0°60.0°
C09C08H081120.1°117.5°
C09C08H082120.1°117.5°
C08C09H091120.0°117.5°
C08C09H092120.0°117.5°
C03C04N05102.7°109.4°
C04C03H032110.1°109.5°
C04C03H031110.1°109.5°
C03C04H041111.2°109.5°
C03C04H042111.1°109.5°
C06C07C09114.5°117.5°
C07C06N05110.6°109.5°
C07C06H062109.2°109.4°
C07C06H061109.2°109.5°
C06C07H071119.2°115.5°
C09C07H071119.2°117.5°
C07C09H091120.0°117.5°
C07C09H092120.0°117.5°
C06N05C04118.2°120.0°
C06N05C10119.5°120.0°
N05C06H062109.2°109.5°
N05C06H061109.2°109.5°
C04N05C10122.0°120.0°
N05C04H041111.1°109.5°
N05C04H042111.2°109.4°
N05C10N11116.7°120.3°
N05C10N18121.8°120.3°
C10N11C12119.9°121.0°
N11C10N18121.5°119.3°
N11C12C31117.9°119.3°
N11C12N13120.0°121.3°
C10N18N17129.6°133.3°
C10N18C14118.4°118.8°
C31C12N13122.2°119.4°
C12C31H313109.5°109.5°
C12C31H311109.5°109.4°
C12C31H312109.5°109.5°
C12N13C14118.8°120.2°
N17N18C14112.0°107.8°
N18N17C16107.0°109.2°
N18C14N13121.4°119.4°
N18C14C15105.5°106.8°
N17C16C15106.5°108.9°
N17C16C19125.8°125.5°
N13C14C15133.1°133.7°
C14C15C16109.1°107.2°
C14C15C20120.9°126.4°
C15C16C19127.8°125.6°
C16C15C20130.0°126.4°
C16C19H192109.5°109.4°
C16C19H193109.5°109.5°
C16C19H191109.5°109.4°
C15C20C21118.3°120.2°
C15C20C28119.7°120.1°
C23O22C21115.9°117.0°
O22C23H232109.5°109.5°
O22C23H233109.5°109.5°
O22C23H231109.5°109.4°
O22C21C20116.3°120.0°
O22C21C24123.0°120.1°
C21C20C28121.9°119.7°
C20C21C24120.6°119.9°
C20C28O29118.8°120.1°
C20C28C27117.6°119.8°
C21C24C25117.9°120.1°
C21C24H241121.1°119.9°
C28O29C30116.9°117.0°
O29C28C27123.6°120.1°
O29C30H302109.5°109.5°
O29C30H303109.5°109.5°
O29C30H301109.5°109.5°
C28C27C25121.6°120.2°
C28C27H271119.2°119.9°
C24C25C27120.4°120.3°
C24C25BR2120.3°119.8°
C25C24H241121.1°119.9°
C27C25BR2119.3°119.8°
C25C27H271119.2°119.9°
H192C19H193109.4°109.5°
H192C19H191109.4°109.5°
H193C19H191109.5°109.5°
H302C30H303109.5°109.5°
H302C30H301109.4°109.4°
H303C30H301109.5°109.5°
H013C01H011109.4°109.5°
H013C01H012109.4°109.5°
H011C01H012109.5°109.5°
H021C02H022109.5°109.4°
H032C03H031109.5°109.4°
H041C04H042109.5°109.6°
H062C06H061109.4°109.4°
H081C08H082109.4°115.5°
H091C09H092109.5°115.5°
H232C23H233109.5°109.5°
H232C23H231109.5°109.5°
H233C23H231109.4°109.5°
H313C31H311109.5°109.5°
H313C31H312109.5°109.5°
H311C31H312109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C03C02C01H021119.7°120.0°
C03C02C01H022119.7°120.1°
C02C03C04H032119.6°120.0°
C02C03C04H031119.6°120.0°
C02C03C04N05154.8°180.0°
C03C02C01H013180.0°60.0°
C03C02C01H01160.0°60.1°
C03C02C01H01260.0°180.0°
C03C02H021H022120.8°120.0°
C02C03H032H031121.1°119.9°
C02C03C04H04186.3°60.0°
C02C03C04H04235.9°60.1°
C01C02C03C0433.8°180.0°
C02C01H013H011120.0°120.0°
C02C01H013H012120.0°120.0°
C02C01H011H012120.0°119.9°
C01C02H021H022120.9°120.0°
C01C02C03H032153.5°60.0°
C01C02C03H03185.8°59.9°
C07C08C09H081109.4°107.5°
C07C08C09H082109.4°107.5°
C08C07C06C0965.9°68.6°
C08C07C06H071143.8°145.6°
C08C07C09H071108.9°107.5°
C08C07C06N05156.7°116.3°
C08C07C06H06236.5°123.7°
C08C07C06H06183.1°3.7°
C07C08H081H082144.9°145.7°
C07C08C09H091109.5°107.5°
C07C08C09H092109.5°107.5°
C09C08H081H082144.9°145.7°
C08C09H091H092144.7°145.7°
C03C04N05C0670.4°90.0°
C03C04N05H041118.9°120.0°
C03C04N05H042118.9°120.0°
C03C04N05C10103.2°90.0°
C04C03C02H021153.6°60.0°
C04C03C02H02285.9°60.0°
C04C03H032H031121.1°120.1°
C03C04H041H042123.2°120.1°
C06C07C09H071150.3°145.1°
C07C06N05H062120.2°120.0°
C07C06N05H061120.2°120.0°
C07C06N05C0483.1°90.0°
C07C06N05C10103.2°90.0°
C07C06H062H061119.5°120.0°
C06C07C08H081143.4°145.0°
C06C07C08H0822.2°0.1°
C06C07C09H091149.7°0.0°
C06C07C09H0928.7°145.0°
C09C07C06N0590.8°175.0°
C09C07C06H06229.4°55.0°
C09C07C06H061149.0°64.9°
C07C09H091H092144.8°145.7°
C06N05C04C10173.5°180.0°
C06N05C10N1179.4°0.0°
C06N05C10N1898.6°180.0°
C06N05C04H041170.7°30.0°
C06N05C04H04248.6°150.0°
N05C06H062H061119.5°120.0°
N05C06C07H07159.5°29.3°
C04N05C10N1194.0°180.0°
C04N05C10N1887.9°0.0°
N05C04C03H03235.2°60.0°
N05C04C03H03185.6°60.0°
N05C04H041H042123.2°120.0°
C04N05C06H062156.7°150.0°
C04N05C06H06137.0°30.0°
N05C10N11N18178.0°180.0°
N05C10N11C12178.0°180.0°
N05C10N18N172.0°0.1°
N05C10N18C14178.1°180.0°
C10N05C04H04115.8°150.0°
C10N05C04H042137.9°30.0°
C10N05C06H06217.0°30.0°
C10N05C06H061136.6°150.0°
C10N11C12C31180.0°180.0°
C10N11C12N130.1°0.0°
N11C10N18N17179.9°180.0°
N11C10N18C140.2°0.0°
C12N11C10N180.0°0.0°
N11C12C31N13179.9°180.0°
N11C12N13C140.4°0.0°
N11C12C31H3130.0°90.0°
N11C12C31H311120.0°150.0°
N11C12C31H312120.0°30.0°
C10N18N17C14179.9°179.9°
C10N18N17C16178.6°180.0°
C10N18C14N130.6°0.0°
C10N18C14C15178.8°180.0°
C31C12N13C14179.7°180.0°
C12C31H313H311120.0°120.0°
C12C31H313H312120.0°120.0°
C12C31H311H312120.0°120.0°
C12N13C14N180.7°0.0°
C12N13C14C15178.5°179.9°
N13C12C31H313179.9°90.0°
N13C12C31H31160.1°30.0°
N13C12C31H31259.9°150.0°
N17N18C14N13179.6°180.0°
N17N18C14C151.0°0.1°
N18N17C16C150.9°0.1°
N18N17C16C19179.4°179.9°
C14N18N17C161.3°0.1°
N18C14N13C15179.2°179.9°
N18C14C15C160.5°0.1°
N18C14C15C20179.9°180.0°
N17C16C15C140.3°0.0°
N17C16C15C19179.7°180.0°
N17C16C15C20179.2°179.9°
N17C16C19H1920.0°89.9°
N17C16C19H193120.0°30.0°
N17C16C19H191120.0°150.1°
N13C14C15C16179.8°180.0°
N13C14C15C200.7°0.1°
C14C15C16C20179.5°179.9°
C14C15C16C19180.0°180.0°
C14C15C20C2179.9°89.9°
C14C15C20C2897.5°89.8°
C16C15C20C2199.6°90.0°
C16C15C20C2883.0°90.3°
C15C16C19H192179.6°90.1°
C15C16C19H19359.7°150.0°
C15C16C19H19160.4°29.9°
C19C16C15C200.5°0.1°
C16C19H192H193120.0°120.0°
C16C19H192H191120.0°119.9°
C16C19H193H191120.0°120.0°
C15C20C21O222.7°0.0°
C15C20C21C28177.3°179.7°
C15C20C21C24178.9°180.0°
C15C20C28O290.6°0.0°
C15C20C28C27178.4°180.0°
C23O22C21C20167.8°180.0°
C23O22C21C2413.8°0.0°
O22C23H232H233120.0°120.0°
O22C23H232H231120.0°120.0°
O22C23H233H231120.0°119.9°
O22C21C20C24178.4°179.9°
O22C21C20C28180.0°179.7°
O22C21C24C25179.2°180.0°
O22C21C24H2410.8°0.3°
C21O22C23H232180.0°60.0°
C21O22C23H23360.0°60.0°
C21O22C23H23160.0°180.0°
C21C20C28O29177.9°179.7°
C21C20C28C271.1°0.3°
C20C21C24C250.9°0.0°
C20C21C24H241179.1°179.7°
C28C20C21C241.6°0.3°
C20C28O29C27178.9°180.0°
C20C28O29C30145.0°180.0°
C20C28C27C250.0°0.0°
C20C28C27H271180.0°179.7°
C21C24C25H241180.0°179.7°
C21C24C25C270.2°0.3°
C21C24C25BR2179.2°179.8°
O29C28C27C25178.9°180.0°
O29C28C27H2711.1°0.3°
C28O29C30H302180.0°60.0°
C28O29C30H30360.0°60.0°
C28O29C30H30160.0°180.0°
C30O29C28C2736.0°0.0°
O29C30H302H303120.0°120.0°
O29C30H302H301120.0°120.0°
O29C30H303H301120.0°120.0°
C28C27C25C240.6°0.3°
C28C27C25H271180.0°179.7°
C28C27C25BR2179.7°179.7°
C24C25C27BR2179.1°179.9°
C24C25C27H271179.4°180.0°
C27C25C24H241179.8°180.0°
BR2C25C24H2410.8°0.1°
BR2C25C27H2710.3°0.1°
H192C19H193H191119.9°120.1°
H302C30H303H301119.9°120.0°
H013C01H011H012119.9°120.1°
H013C01C02H02160.3°60.0°
H013C01C02H02260.3°180.0°
H011C01C02H021179.7°179.9°
H011C01C02H02259.7°60.0°
H012C01C02H02159.7°60.0°
H012C01C02H022179.7°59.9°
H021C02C03H03286.8°180.0°
H021C02C03H03133.9°60.1°
H022C02C03H03233.8°60.0°
H022C02C03H031154.5°180.0°
H032C03C04H041154.1°180.0°
H032C03C04H04283.7°59.9°
H031C03C04H04133.3°59.9°
H031C03C04H042155.5°179.9°
H062C06C07H071179.7°90.7°
H061C06C07H07160.7°149.3°
H071C07C08H0810.4°0.1°
H071C07C08H082141.6°145.0°
H071C07C09H0910.6°145.0°
H071C07C09H092141.7°0.1°
H081C08C09H0910.1°145.0°
H081C08C09H092141.1°0.0°
H082C08C09H091141.1°0.0°
H082C08C09H0920.1°145.0°
H232C23H233H231120.0°120.1°
H313C31H311H312120.0°120.0°

222415

PDB entries from 2024-07-10

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