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JEE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C25O24sing1.43Å1.38Å
C25C26sing1.53Å1.52Å
O24C23sing1.43Å1.38Å
C26N21sing1.47Å1.38Å
C23C22sing1.53Å1.52Å
C20N21sing1.47Å1.29Å
C20C19sing1.51Å1.55Å
N21C22sing1.47Å1.39Å
C18C19doub1.38Å1.40ÅAromatic
C18C17sing1.38Å1.41ÅAromatic
C19C27sing1.38Å1.41ÅAromatic
C17C16doub1.38Å1.40ÅAromatic
C27C28doub1.38Å1.40ÅAromatic
C16C28sing1.38Å1.39ÅAromatic
C16C15sing1.51Å1.52Å
C13C12doub1.34Å1.39ÅAromatic
C13N14sing1.37Å1.33ÅAromatic
C12C09sing1.46Å1.45ÅAromatic
N14C15sing1.47Å1.44Å
N14C08sing1.38Å1.38ÅAromatic
C09C08doub1.41Å1.38ÅAromatic
C09C10sing1.40Å1.43ÅAromatic
C08C07sing1.39Å1.43ÅAromatic
C10C11doub1.36Å1.41ÅAromatic
C07C06doub1.39Å1.41ÅAromatic
C11C06sing1.40Å1.40ÅAromatic
C06C05sing1.48Å1.53Å
C05N04doub1.31Å1.33ÅAromatic
C05C29sing1.47Å1.38ÅAromatic
N04N03sing1.40Å1.35ÅAromatic
N31C30trip1.14Å1.14Å
C30C29sing1.43Å1.52Å
C29C02doub1.39Å1.40ÅAromatic
N03C02sing1.35Å1.35ÅAromatic
C02N01sing1.38Å1.42Å
C10H1sing1.08Å1.08Å
C13H2sing1.08Å1.08Å
C15H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C17H5sing1.08Å1.08Å
C20H6sing1.09Å1.10Å
C20H7sing1.09Å1.10Å
C22H8sing1.09Å1.10Å
C22H9sing1.09Å1.10Å
C26H10sing1.09Å1.10Å
C26H11sing1.09Å1.10Å
C28H12sing1.08Å1.08Å
N01H13sing0.97Å1.00Å
N01H14sing0.97Å1.00Å
N03H15sing0.97Å1.00Å
C07H16sing1.08Å1.08Å
C11H17sing1.08Å1.08Å
C12H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C23H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C25H23sing1.09Å1.10Å
C25H24sing1.09Å1.10Å
C27H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O24C25C26116.0°109.2°
C25O24C23115.4°113.8°
O24C25H23107.8°109.5°
O24C25H24107.8°109.5°
C25C26N21112.7°109.3°
C25C26H10108.6°109.5°
C25C26H11108.7°109.5°
C26C25H23107.8°109.5°
C26C25H24107.8°109.5°
O24C23C22114.3°109.3°
O24C23H21108.2°109.5°
O24C23H22108.3°109.6°
C26N21C20112.9°111.0°
C26N21C22114.9°110.7°
N21C26H10108.7°109.5°
N21C26H11108.6°109.5°
C23C22N21116.5°109.3°
C23C22H8107.7°109.6°
C23C22H9107.7°109.5°
C22C23H21108.2°109.5°
C22C23H22108.3°109.5°
N21C20C19114.3°109.5°
C20N21C22116.0°111.0°
N21C20H6108.3°109.5°
N21C20H7108.2°109.5°
C20C19C18119.7°120.0°
C20C19C27121.4°120.0°
C19C20H6108.2°109.5°
C19C20H7108.3°109.5°
N21C22H8107.7°109.5°
N21C22H9107.7°109.5°
C19C18C17120.5°120.0°
C18C19C27118.9°120.0°
C19C18H19119.7°120.0°
C18C17C16119.8°120.0°
C18C17H5120.1°120.0°
C17C18H19119.7°120.0°
C19C27C28120.6°120.0°
C19C27H25119.7°120.0°
C17C16C28120.1°120.0°
C17C16C15121.9°120.0°
C16C17H5120.1°120.0°
C27C28C16120.0°120.0°
C27C28H12120.0°120.0°
C28C27H25119.7°120.0°
C28C16C15117.9°120.0°
C16C28H12120.0°120.0°
C16C15N14114.6°109.5°
C16C15H3108.2°109.5°
C16C15H4108.2°109.5°
C12C13N14107.3°110.0°
C13C12C09107.9°107.0°
C12C13H2126.4°125.0°
C13C12H18126.1°126.5°
C13N14C15124.8°125.0°
C13N14C08111.1°109.8°
N14C13H2126.3°125.0°
C12C09C08105.2°106.0°
C12C09C10135.0°133.9°
C09C12H18126.0°126.5°
C15N14C08124.0°125.1°
N14C15H3108.2°109.5°
N14C15H4108.2°109.4°
N14C08C09108.6°107.2°
N14C08C07131.4°133.3°
C08C09C10119.8°120.1°
C09C08C07120.0°119.5°
C09C10C11120.4°120.0°
C09C10H1119.8°120.0°
C08C07C06120.1°119.7°
C08C07H16119.9°120.2°
C10C11C06119.4°120.4°
C11C10H1119.8°120.0°
C10C11H17120.3°119.8°
C07C06C11120.1°120.4°
C07C06C05118.2°119.8°
C06C07H16120.0°120.2°
C11C06C05121.5°119.8°
C06C11H17120.3°119.8°
C06C05N04123.4°126.4°
C06C05C29129.0°126.5°
N04C05C29107.3°107.1°
C05N04N03110.4°109.4°
C05C29C30128.2°126.9°
C05C29C02107.1°106.3°
N04N03C02108.2°109.7°
N04N03H15125.9°125.1°
N31C30C29179.1°180.0°
C30C29C02124.7°126.9°
C29C02N03107.0°107.5°
C29C02N01127.1°126.2°
N03C02N01125.9°126.2°
C02N03H15125.9°125.2°
C02N01H13109.5°120.0°
C02N01H14109.4°119.9°
H3C15H4109.5°109.4°
H6C20H7109.5°109.5°
H8C22H9109.5°109.5°
H10C26H11109.5°109.5°
H13N01H14109.5°120.1°
H21C23H22109.5°109.5°
H23C25H24109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O24C25C26H23120.9°119.9°
O24C25C26H24120.9°119.9°
O24C25C26N2151.4°56.9°
C25O24C23C2232.4°58.7°
O24C25C26H1069.1°63.1°
O24C25C26H11171.9°176.8°
C25O24C23H21153.1°61.3°
C25O24C23H2288.4°178.6°
O24C25H23H24117.0°120.1°
C26C25O24C2312.7°58.7°
C25C26N21H10120.5°120.0°
C25C26N21H11120.5°120.0°
C25C26N21C2098.1°177.6°
C25C26N21C2238.0°58.6°
C25C26H10H11118.5°120.1°
C26C25H23H24117.1°120.2°
O24C23C22H21120.7°120.0°
O24C23C22H22120.7°120.0°
O24C23C22N2145.4°56.8°
O24C23C22H875.6°176.8°
O24C23C22H9166.4°63.1°
O24C23H21H22117.8°120.2°
C23O24C25H23133.7°178.6°
C23O24C25H24108.2°61.3°
C26N21C22C236.6°58.6°
C26N21C20C22135.6°123.6°
C26N21C20C19179.5°170.0°
C26N21C20H659.8°70.0°
C26N21C20H758.8°50.0°
C26N21C22H8114.4°178.6°
C26N21C22H9127.6°61.4°
N21C26H10H11118.5°120.1°
N21C26C25H23172.3°176.8°
N21C26C25H2469.5°63.1°
C23C22N21C20141.4°177.7°
C23C22N21H8121.0°120.0°
C23C22N21H9121.0°120.0°
C23C22H8H9116.8°120.1°
C22C23H21H22117.8°120.0°
N21C20C19H6120.7°120.0°
N21C20C19H7120.7°120.0°
N21C20C19C18127.9°90.0°
N21C20C19C2752.8°90.0°
N21C20H6H7117.8°120.0°
C20N21C22H820.3°57.7°
C20N21C22H997.6°62.4°
C20N21C26H10141.4°62.4°
C20N21C26H1122.4°57.7°
C19C20N21C2243.9°66.4°
C20C19C18C27179.3°180.0°
C20C19C18C17179.9°180.0°
C20C19C27C28179.9°179.7°
C19C20H6H7117.8°120.0°
C20C19C18H190.1°0.0°
C20C19C27H250.1°0.1°
C22N21C20H6164.6°53.6°
C22N21C20H776.8°173.6°
N21C22H8H9116.8°120.0°
C22N21C26H1082.4°61.4°
C22N21C26H11158.5°178.6°
N21C22C23H21166.0°63.1°
N21C22C23H2275.4°176.9°
C19C18C17H19180.0°180.0°
C19C18C17C161.2°0.1°
C18C19C27C280.8°0.3°
C19C18C17H5178.8°179.8°
C18C19C20H6111.4°150.0°
C18C19C20H77.2°30.0°
C18C19C27H25179.2°180.0°
C17C18C19C270.8°0.1°
C18C17C16H5180.0°179.8°
C18C17C16C281.6°0.2°
C18C17C16C15178.6°179.8°
C19C27C28H25180.0°179.8°
C19C27C28C161.2°0.5°
C27C19C20H667.9°30.0°
C27C19C20H7173.5°150.0°
C19C27C28H12178.8°180.0°
C27C19C18H19179.2°180.0°
C17C16C28C271.6°0.5°
C17C16C28C15177.1°180.0°
C17C16C15N1447.3°90.0°
C17C16C15H373.4°30.1°
C17C16C15H4168.1°150.1°
C17C16C28H12178.4°180.0°
C16C17C18H19178.8°180.0°
C27C28C16H12180.0°179.5°
C27C28C16C15178.7°179.4°
C28C16C15N14135.6°90.0°
C28C16C15H3103.6°150.0°
C28C16C15H414.9°30.0°
C28C16C17H5178.4°180.0°
C16C28C27H25178.8°179.7°
C16C15N14C1399.3°95.0°
C16C15N14H3120.7°120.1°
C16C15N14H4120.8°120.0°
C16C15N14C0883.7°85.0°
C16C15H3H4117.7°120.0°
C15C16C17H51.4°0.1°
C15C16C28H121.3°0.0°
C12C13N14H2180.0°179.9°
C13C12C09H18180.0°179.9°
C12C13N14C15178.2°180.0°
C12C13N14C080.9°0.0°
C13C12C09C080.4°0.0°
C13C12C09C10179.0°179.9°
N14C13C12C090.3°0.1°
C13N14C15C08177.0°180.0°
C13N14C08C091.2°0.0°
C13N14C08C07179.4°179.3°
C13N14C15H321.4°25.0°
C13N14C15H4139.9°145.0°
N14C13C12H18179.6°180.0°
C12C09C08N140.9°0.0°
C12C09C08C10179.5°179.9°
C12C09C08C07179.4°179.4°
C12C09C10C11179.9°179.9°
C12C09C10H10.1°0.5°
C09C12C13H2179.7°180.0°
C15N14C08C09178.5°180.0°
C15N14C08C073.2°0.7°
C15N14C13H21.8°0.0°
N14C15H3H4117.6°120.0°
N14C08C09C07178.5°179.5°
N14C08C09C10178.6°179.9°
N14C08C07C06179.6°179.9°
C08N14C13H2179.1°180.0°
C08N14C15H3155.6°155.0°
C08N14C15H437.1°35.0°
N14C08C07H160.4°0.5°
C08C09C10C110.6°0.1°
C09C08C07C062.3°0.8°
C08C09C10H1179.3°179.7°
C09C08C07H16177.8°179.8°
C08C09C12H18179.7°180.0°
C10C09C08C070.1°0.5°
C09C10C11H1180.0°179.6°
C09C10C11C060.9°0.3°
C09C10C11H17179.1°179.7°
C10C09C12H181.0°0.1°
C08C07C06H16180.0°179.4°
C08C07C06C113.8°0.5°
C08C07C06C05178.1°179.5°
C10C11C06C073.0°0.0°
C10C11C06H17180.0°180.0°
C10C11C06C05177.2°180.0°
C07C06C11C05174.2°180.0°
C07C06C05N043.6°35.1°
C07C06C05C29170.3°145.3°
C07C06C11H17177.0°180.0°
C11C06C05N04177.9°144.9°
C11C06C05C294.0°34.7°
C06C11C10H1179.2°179.9°
C11C06C07H16176.2°179.9°
C06C05N04C29175.0°179.7°
C06C05N04N03176.9°180.0°
C06C05C29C304.9°0.2°
C06C05C29C02176.2°179.9°
C05C06C07H161.9°0.1°
C05C06C11H172.8°0.0°
N04C05C29C30179.6°179.9°
N04C05C29C021.6°0.4°
C05N04N03C021.4°0.1°
C05N04N03H15178.6°180.0°
C29C05N04N031.9°0.3°
C05C29C30N31177.9°57.5°
C05C29C30C02178.6°179.6°
C05C29C02N030.7°0.4°
C05C29C02N01178.9°179.8°
N04N03C02C290.4°0.2°
N04N03C02H15180.0°179.9°
N04N03C02N01180.0°180.0°
N31C30C29C023.5°122.1°
C30C29C02N03179.6°180.0°
C30C29C02N010.0°0.2°
C29C02N03N01179.6°179.8°
C29C02N01H13180.0°179.7°
C29C02N01H1460.0°0.3°
C29C02N03H15179.6°179.7°
N03C02N01H130.5°0.1°
N03C02N01H14120.5°180.0°
C02N01H13H14120.0°180.0°
N01C02N03H150.0°0.1°
H1C10C11H170.8°0.1°
H2C13C12H180.4°0.1°
H5C17C18H191.2°0.2°
H8C22C23H2145.0°56.8°
H8C22C23H22163.6°63.2°
H9C22C23H2172.9°176.9°
H9C22C23H2245.6°56.9°
H10C26C25H2351.8°56.8°
H10C26C25H24170.0°177.0°
H11C26C25H2367.2°63.3°
H11C26C25H2450.9°56.9°
H12C28C27H251.2°0.2°

221716

PDB entries from 2024-06-26

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