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2RJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C01C02sing1.51Å1.48Å
C07C02doub1.38Å1.41ÅAromatic
C07C06sing1.38Å1.40ÅAromatic
C02C03sing1.38Å1.43ÅAromatic
C24N23sing1.47Å1.48Å
C24C25sing1.53Å1.55Å
N23C22sing1.47Å1.48Å
C06C05doub1.38Å1.39ÅAromatic
C25C20sing1.53Å1.56Å
C03C33sing1.51Å1.48Å
C03C04doub1.39Å1.42ÅAromatic
C22C21sing1.53Å1.55Å
C05C04sing1.39Å1.41ÅAromatic
C04O08sing1.36Å1.37Å
C20C21sing1.53Å1.55Å
C20N19sing1.46Å1.45Å
O08C09sing1.35Å1.35Å
N19C18sing1.35Å1.35ÅAromatic
N19C15sing1.38Å1.37ÅAromatic
C18N17doub1.31Å1.34ÅAromatic
N14C09doub1.32Å1.35ÅAromatic
N14C13sing1.33Å1.36ÅAromatic
C09N10sing1.32Å1.35ÅAromatic
N17C16sing1.34Å1.35ÅAromatic
C15C13sing1.47Å1.43Å
C15C16doub1.38Å1.41ÅAromatic
C13C12doub1.40Å1.43ÅAromatic
C16C26sing1.48Å1.42Å
N10C11doub1.32Å1.36ÅAromatic
C26C31doub1.39Å1.41ÅAromatic
C26C27sing1.40Å1.41ÅAromatic
C12C11sing1.38Å1.40ÅAromatic
C31C30sing1.38Å1.41ÅAromatic
C27C28doub1.38Å1.39ÅAromatic
C30C29doub1.39Å1.40ÅAromatic
C28C29sing1.39Å1.41ÅAromatic
C29F32sing1.35Å1.31Å
C01H011sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C05H051sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C11H111sing1.08Å1.08Å
C12H121sing1.08Å1.08Å
C18H181sing1.08Å1.08Å
C20H201sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
N23H231sing1.01Å1.00Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C27H271sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C30H301sing1.08Å1.08Å
C31H311sing1.08Å1.08Å
C33H333sing1.09Å1.10Å
C33H332sing1.09Å1.10Å
C33H331sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C01C02C07116.3°120.0°
C01C02C03125.0°120.0°
C02C01H011109.5°109.4°
C02C01H013109.4°109.4°
C02C01H012109.5°109.5°
C02C07C06121.7°120.1°
C07C02C03118.7°120.1°
C02C07H071119.1°120.0°
C07C06C05120.4°120.1°
C07C06H061119.8°119.9°
C06C07H071119.2°120.0°
C02C03C33122.3°120.1°
C02C03C04118.8°119.9°
N23C24C25112.3°109.5°
C24N23C22112.3°111.2°
C24N23H231108.7°111.0°
N23C24H241108.8°109.5°
N23C24H242108.8°109.5°
C24C25C20111.2°109.3°
C25C24H241108.8°109.5°
C25C24H242108.8°109.4°
C24C25H251109.1°109.4°
C24C25H252109.0°109.5°
N23C22C21111.1°109.5°
N23C22H222109.1°109.5°
N23C22H221109.1°109.5°
C22N23H231108.7°111.0°
C06C05C04119.2°120.0°
C06C05H051120.3°120.0°
C05C06H061119.8°120.0°
C25C20C21110.1°109.2°
C25C20N19108.8°109.6°
C25C20H201106.9°109.6°
C20C25H251109.0°109.5°
C20C25H252109.0°109.5°
C33C03C04119.0°120.0°
C03C33H333109.5°109.5°
C03C33H332109.5°109.5°
C03C33H331109.4°109.4°
C03C04C05121.2°119.9°
C03C04O08121.2°120.1°
C22C21C20111.0°109.3°
C22C21H212109.1°109.6°
C22C21H211109.1°109.6°
C21C22H222109.0°109.4°
C21C22H221109.0°109.5°
C05C04O08117.5°120.0°
C04C05H051120.4°120.0°
C04O08C09119.3°118.0°
C21C20N19115.4°109.5°
C21C20H201107.1°109.4°
C20C21H212109.1°109.4°
C20C21H211109.1°109.5°
C20N19C18123.6°126.3°
C20N19C15129.2°126.3°
N19C20H201108.2°109.5°
O08C09N14120.9°119.1°
O08C09N10118.0°119.2°
C18N19C15107.1°107.4°
N19C18N17111.6°109.6°
N19C18H181124.2°125.2°
N19C15C13126.5°126.9°
N19C15C16105.6°106.1°
C18N17C16106.4°109.6°
N17C18H181124.2°125.2°
C09N14C13121.6°120.6°
N14C09N10121.0°121.7°
N14C13C15119.9°120.6°
N14C13C12117.9°118.9°
C09N10C11121.0°121.1°
N17C16C15109.3°107.4°
N17C16C26118.1°126.3°
C13C15C16127.9°127.0°
C15C13C12122.0°120.5°
C15C16C26132.4°126.3°
C13C12C11119.0°118.4°
C13C12H121120.5°120.9°
C16C26C31121.9°120.1°
C16C26C27119.5°120.1°
N10C11C12119.2°119.3°
N10C11H111120.4°120.4°
C31C26C27118.4°119.8°
C26C31C30121.3°119.9°
C26C31H311119.3°120.0°
C26C27C28120.4°119.9°
C26C27H271119.8°120.0°
C12C11H111120.4°120.3°
C11C12H121120.5°120.8°
C31C30C29119.3°120.1°
C31C30H301120.4°120.0°
C30C31H311119.3°120.1°
C27C28C29120.7°120.1°
C28C27H271119.8°120.1°
C27C28H281119.6°119.9°
C30C29C28119.8°120.2°
C30C29F32120.4°119.9°
C29C30H301120.3°119.9°
C28C29F32119.7°119.9°
C29C28H281119.6°120.0°
H011C01H013109.5°109.5°
H011C01H012109.5°109.4°
H013C01H012109.5°109.5°
H212C21H211109.5°109.5°
H222C22H221109.5°109.4°
H241C24H242109.5°109.5°
H251C25H252109.5°109.5°
H333C33H332109.5°109.5°
H333C33H331109.5°109.4°
H332C33H331109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C01C02C07C03179.2°179.7°
C01C02C07C06178.7°179.8°
C01C02C03C331.1°0.1°
C01C02C03C04178.7°180.0°
C02C01H011H013120.0°120.0°
C02C01H011H012120.0°120.0°
C02C01H013H012120.0°120.0°
C01C02C07H0711.3°0.1°
C02C07C06H071180.0°179.7°
C02C07C06C051.4°0.5°
C07C02C03C33179.8°179.8°
C07C02C03C040.4°0.3°
C07C02C01H01190.4°90.3°
C07C02C01H013149.6°29.7°
C07C02C01H01229.6°149.7°
C02C07C06H061178.6°179.7°
C06C07C02C030.5°0.5°
C07C06C05H061180.0°179.8°
C07C06C05C042.1°0.3°
C07C06C05H051177.9°179.8°
C02C03C33C04179.8°179.9°
C02C03C04C051.2°0.1°
C02C03C04O08176.8°180.0°
C03C02C01H01190.5°90.0°
C03C02C01H01329.5°150.0°
C03C02C01H012149.5°29.9°
C03C02C07H071179.5°179.8°
C02C03C33H33390.1°90.0°
C02C03C33H332149.9°149.9°
C02C03C33H33129.9°30.0°
N23C24C25H241120.4°120.0°
N23C24C25H242120.4°120.0°
C24N23C22H231120.4°124.1°
N23C24C25C2053.2°59.2°
C24N23C22C2158.3°61.8°
C24N23C22H22261.9°178.2°
C24N23C22H221178.6°58.3°
N23C24H241H242118.7°120.0°
N23C24C25H25167.1°179.1°
N23C24C25H252173.4°60.8°
C25C24N23C2256.7°61.7°
C24C25C20H251120.3°119.9°
C24C25C20H252120.3°120.0°
C24C25C20C2151.5°57.7°
C24C25C20N19178.9°177.6°
C24C25C20H20164.5°62.2°
C25C24N23H231177.1°174.1°
C25C24H241H242118.7°120.0°
C24C25H251H252119.2°120.1°
N23C22C21H222120.3°120.0°
N23C22C21H221120.2°120.1°
N23C22C21C2057.0°59.2°
N23C22C21H212177.2°60.7°
N23C22C21H21163.2°179.1°
N23C22H222H221119.3°120.0°
C22N23C24H241177.1°178.3°
C22N23C24H24263.7°58.2°
C06C05C04C032.1°0.0°
C06C05C04H051180.0°179.9°
C06C05C04O08177.8°180.0°
C05C06C07H071178.6°179.8°
C25C20C21C2253.5°57.6°
C25C20C21N19123.7°119.9°
C25C20C21H201115.8°120.0°
C25C20N19H201115.8°120.3°
C25C20N19C1852.0°65.8°
C25C20N19C15128.9°113.6°
C25C20C21H212173.7°62.3°
C25C20C21H21166.7°177.7°
C20C25C24H241173.6°179.2°
C20C25C24H24267.3°60.8°
C20C25H251H252119.2°120.1°
C33C03C04C05179.0°180.0°
C33C03C04O083.4°0.0°
C03C33H333H332120.0°120.1°
C03C33H333H331120.0°120.0°
C03C33H332H331119.9°120.0°
C03C04C05O08175.7°180.0°
C03C04O08C0985.9°80.4°
C03C04C05H051177.9°180.0°
C04C03C33H33390.1°90.1°
C04C03C33H33229.9°30.0°
C04C03C33H331149.9°150.0°
C22C21C20H212120.2°120.0°
C22C21C20H211120.2°120.0°
C22C21C20N19177.2°177.6°
C22C21C20H20162.3°62.3°
C22C21H212H211119.3°120.2°
C21C22H222H221119.2°120.0°
C21C22N23H231178.7°174.1°
C05C04O08C0998.4°99.5°
C04C05C06H061177.9°179.9°
C04O08C09N149.9°175.1°
C04O08C09N10169.0°5.2°
O08C04C05H0512.2°0.1°
C21C20N19H201119.9°120.0°
C21C20N19C1872.3°53.9°
C21C20N19C15106.8°126.7°
C20C21H212H211119.3°120.0°
C20C21C22H22263.3°179.2°
C20C21C22H221177.2°60.9°
C21C20C25H25168.8°177.5°
C21C20C25H252171.7°62.3°
C20N19C18C15179.2°179.5°
C20N19C18N17179.5°180.0°
C20N19C15C131.8°0.4°
C20N19C15C16178.9°180.0°
C20N19C18H1810.5°0.4°
N19C20C21H21262.6°57.6°
N19C20C21H21156.9°62.4°
N19C20C25H25158.6°62.5°
N19C20C25H25260.9°57.6°
O08C09N14N10178.9°179.7°
O08C09N14C13180.0°179.7°
O08C09N10C11179.8°180.0°
N19C18N17H181180.0°179.7°
N19C18N17C160.8°0.3°
C18N19C15C13177.4°179.9°
C18N19C15C160.3°0.5°
C18N19C20H201167.8°173.9°
C15N19C18N170.2°0.5°
N19C15C13N1434.3°150.8°
N19C15C16N170.8°0.3°
N19C15C13C16176.4°179.6°
N19C15C13C12141.9°29.5°
N19C15C16C26176.1°179.8°
C15N19C18H181179.7°179.9°
C15N19C20H20113.1°6.7°
C18N17C16C151.0°0.0°
C18N17C16C26177.0°179.9°
C09N14C13C15178.4°179.8°
C09N14C13C122.1°0.5°
N14C09N10C110.9°0.2°
C13N14C09N101.1°0.5°
N14C13C15C12176.2°179.7°
N14C13C15C16149.3°28.8°
N14C13C12C112.9°0.2°
N14C13C12H121177.1°179.7°
C09N10C11C121.8°0.0°
C09N10C11H111178.3°180.0°
N17C16C15C13177.8°180.0°
N17C16C15C26175.3°179.9°
N17C16C26C31148.6°35.1°
N17C16C26C2726.0°145.2°
C16N17C18H181179.2°180.0°
C13C15C16C266.9°0.1°
C15C13C12C11179.2°179.9°
C15C13C12H1210.9°0.0°
C16C15C13C1234.5°150.9°
C15C16C26C3126.4°145.0°
C15C16C26C27159.0°34.7°
C13C12C11N102.8°0.0°
C13C12C11H121180.0°180.0°
C13C12C11H111177.2°179.9°
C16C26C31C27174.7°179.7°
C16C26C31C30178.0°179.7°
C16C26C27C28177.5°180.0°
C16C26C27H2712.5°0.0°
C16C26C31H3112.0°0.0°
N10C11C12H111180.0°179.9°
N10C11C12H121177.3°180.0°
C26C31C30H311180.0°179.7°
C31C26C27C282.7°0.3°
C26C31C30C292.4°0.6°
C31C26C27H271177.3°179.7°
C26C31C30H301177.6°179.7°
C27C26C31C303.3°0.6°
C26C27C28H271180.0°180.0°
C26C27C28C291.2°0.0°
C26C27C28H281178.8°179.9°
C27C26C31H311176.7°179.7°
C31C30C29H301180.0°179.7°
C31C30C29C280.8°0.3°
C31C30C29F32179.9°179.7°
C27C28C29C300.2°0.0°
C27C28C29H281180.0°180.0°
C27C28C29F32179.5°180.0°
C30C29C28F32179.3°180.0°
C30C29C28H281179.8°179.9°
C29C30C31H311177.6°179.7°
C29C28C27H271178.8°180.0°
C28C29C30H301179.2°180.0°
F32C29C28H2810.5°0.0°
F32C29C30H3010.1°0.0°
H011C01H013H012120.0°120.0°
H051C05C06H0612.1°0.0°
H061C06C07H0711.4°0.0°
H111C11C12H1212.7°0.1°
H201C20C21H21257.9°177.7°
H201C20C21H211177.4°57.7°
H201C20C25H251175.2°57.7°
H201C20C25H25255.8°177.8°
H212C21C22H22256.9°59.3°
H212C21C22H22162.5°179.2°
H211C21C22H222176.5°60.9°
H211C21C22H22157.0°59.1°
H222C22N23H23158.5°54.1°
H221C22N23H23161.0°65.8°
H231N23C24H24162.5°54.1°
H231N23C24H24256.7°65.9°
H241C24C25H25153.3°60.9°
H241C24C25H25266.1°59.2°
H242C24C25H251172.5°59.1°
H242C24C25H25253.0°179.2°
H271C27C28H2811.2°0.0°
H301C30C31H3112.4°0.0°
H333C33H332H331120.0°120.0°

222624

PDB entries from 2024-07-17

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