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SummaryGeometryRelated PDB entries

J91

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O15C14doub1.21Å1.25Å
O16C14sing1.35Å1.25Å
C14C02sing1.47Å1.55Å
C03C02doub1.40Å1.39ÅAromatic
C03C04sing1.38Å1.40ÅAromatic
C02C01sing1.40Å1.41ÅAromatic
C04C05doub1.39Å1.40ÅAromatic
C01O07sing1.36Å1.37Å
C01C06doub1.39Å1.39ÅAromatic
O07C08sing1.36Å1.37Å
C09C08doub1.39Å1.41ÅAromatic
C09C10sing1.38Å1.40ÅAromatic
C08C13sing1.39Å1.39ÅAromatic
C10C11doub1.38Å1.39ÅAromatic
C13F31sing1.35Å1.35Å
C13C12doub1.38Å1.39ÅAromatic
C11C12sing1.38Å1.39ÅAromatic
C05C06sing1.39Å1.41ÅAromatic
C06N17sing1.40Å1.42Å
N17C18sing1.35Å1.40Å
O26C21doub1.22Å1.24Å
C18O19doub1.22Å1.23Å
C18C20sing1.47Å1.49Å
C21C20sing1.42Å1.48Å
C21N22sing1.35Å1.41Å
C20C25doub1.39Å1.37Å
N22C23sing1.35Å1.30Å
C25C24sing1.39Å1.41Å
C23C24doub1.36Å1.40Å
C23C27sing1.51Å1.54Å
F29C27sing1.40Å1.35Å
C27F28sing1.40Å1.32Å
C27F30sing1.40Å1.33Å
C11H1sing1.08Å1.08Å
C10H2sing1.08Å1.08Å
C12H3sing1.08Å1.08Å
C03H4sing1.08Å1.08Å
C04H5sing1.08Å1.08Å
C05H6sing1.08Å1.08Å
C09H7sing1.08Å1.08Å
C24H8sing1.08Å1.08Å
C25H10sing1.08Å1.08Å
N17H11sing0.97Å1.00Å
O16H12sing0.97Å0.95Å
N22H9sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O15C14O16125.2°120.0°
O15C14C02117.4°120.0°
O16C14C02117.4°120.0°
C14O16H12109.5°117.1°
C14C02C03118.5°120.2°
C14C02C01123.0°120.2°
C02C03C04119.2°120.1°
C03C02C01118.5°119.7°
C02C03H4120.4°120.0°
C03C04C05121.2°120.3°
C04C03H4120.4°119.9°
C03C04H5119.4°119.9°
C02C01O07119.8°120.2°
C02C01C06124.2°119.6°
C04C05C06121.0°120.3°
C05C04H5119.4°119.8°
C04C05H6119.5°119.8°
O07C01C06116.0°120.2°
C01O07C08115.0°118.0°
C01C06C05115.9°120.0°
C01C06N17120.8°120.0°
O07C08C09123.4°120.0°
O07C08C13118.5°120.1°
C08C09C10118.9°119.9°
C09C08C13118.1°119.9°
C08C09H7120.5°120.0°
C09C10C11121.5°120.1°
C09C10H2119.2°120.0°
C10C09H7120.5°120.0°
C08C13F31117.4°120.0°
C08C13C12123.5°119.9°
C10C11C12119.8°120.1°
C10C11H1120.1°119.9°
C11C10H2119.3°119.9°
F31C13C12119.2°120.1°
C13C12C11118.2°120.0°
C13C12H3120.9°120.0°
C12C11H1120.1°119.9°
C11C12H3120.9°120.0°
C05C06N17123.2°120.0°
C06C05H6119.5°119.9°
C06N17C18133.4°120.0°
C06N17H11113.3°120.0°
N17C18O19121.2°120.0°
N17C18C20118.3°120.0°
C18N17H11113.3°120.0°
O26C21C20124.4°120.1°
O26C21N22114.9°120.1°
O19C18C20120.4°120.0°
C18C20C21117.4°120.6°
C18C20C25126.2°120.6°
C20C21N22120.7°119.8°
C21C20C25116.4°118.8°
C21N22C23117.8°121.1°
C21N22H9121.1°119.5°
C20C25C24122.2°118.9°
C20C25H10118.9°120.6°
N22C23C24126.1°121.2°
N22C23C27114.3°119.4°
C23N22H9121.1°119.4°
C25C24C23116.7°120.1°
C25C24H8121.6°119.9°
C24C25H10118.9°120.5°
C24C23C27119.6°119.4°
C23C24H8121.7°119.9°
C23C27F29114.8°109.5°
C23C27F28115.0°109.5°
C23C27F30114.9°109.5°
F29C27F28102.8°109.5°
F29C27F30103.7°109.5°
F28C27F30104.0°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O15C14O16C02179.3°179.7°
O15C14C02C0370.5°180.0°
O15C14C02C01109.1°0.0°
O15C14O16H120.0°0.4°
O16C14C02C03110.1°0.3°
O16C14C02C0170.3°179.7°
C14C02C03C01179.6°180.0°
C14C02C03C04179.8°180.0°
C14C02C01O070.9°0.0°
C14C02C01C06179.8°179.8°
C14C02C03H40.2°0.1°
C02C14O16H12179.3°180.0°
C02C03C04H4180.0°179.9°
C02C03C04C050.5°0.0°
C03C02C01O07179.5°180.0°
C03C02C01C060.7°0.2°
C02C03C04H5179.5°179.9°
C04C03C02C010.2°0.0°
C03C04C05H5180.0°179.9°
C03C04C05C060.7°0.3°
C03C04C05H6179.3°180.0°
C02C01O07C06178.9°179.7°
C02C01O07C0883.8°89.7°
C02C01C06C050.4°0.5°
C02C01C06N17178.9°179.7°
C01C02C03H4179.8°179.9°
C04C05C06C010.3°0.6°
C04C05C06H6180.0°179.7°
C04C05C06N17179.6°179.7°
C05C04C03H4179.5°179.9°
C01O07C08C092.6°0.6°
C01O07C08C13178.4°180.0°
O07C01C06C05179.3°179.7°
O07C01C06N170.0°0.0°
C06C01O07C0897.3°90.0°
C01C06C05N17179.3°179.8°
C01C06N17C18176.2°150.8°
C01C06C05H6179.7°179.7°
C01C06N17H113.8°29.2°
O07C08C09C13179.1°179.4°
O07C08C09C10179.7°179.8°
O07C08C13F310.8°0.0°
O07C08C13C12179.6°180.0°
O07C08C09H70.3°0.6°
C08C09C10H7180.0°179.1°
C08C09C10C110.5°0.6°
C09C08C13F31179.9°179.4°
C09C08C13C120.5°0.6°
C08C09C10H2179.6°179.4°
C10C09C08C130.6°0.9°
C09C10C11H2180.0°180.0°
C09C10C11C120.1°0.0°
C09C10C11H1179.9°179.7°
C08C13F31C12179.6°180.0°
C08C13C12C110.2°0.0°
C08C13C12H3179.8°180.0°
C13C08C09H7179.3°180.0°
C10C11C12C130.1°0.3°
C10C11C12H1180.0°179.8°
C10C11C12H3180.0°179.7°
C11C10C09H7179.5°179.7°
F31C13C12C11179.7°180.0°
F31C13C12H30.3°0.0°
C13C12C11H3180.0°180.0°
C13C12C11H1179.9°180.0°
C12C11C10H2179.9°180.0°
C05C06N17C183.1°29.0°
C06C05C04H5179.3°179.8°
C05C06N17H11177.0°151.0°
C06N17C18H11180.0°180.0°
C06N17C18O191.2°4.8°
C06N17C18C20178.3°175.2°
N17C06C05H60.4°0.0°
N17C18O19C20179.5°180.0°
N17C18C20C218.5°6.5°
N17C18C20C25172.7°173.7°
O26C21C20C181.0°0.0°
O26C21C20N22179.3°179.9°
O26C21C20C25179.9°179.8°
O26C21N22C23179.6°180.0°
O26C21N22H90.5°0.1°
O19C18C20C21171.0°173.5°
O19C18C20C257.8°6.2°
O19C18N17H11178.8°175.2°
C18C20C21C25178.9°179.8°
C18C20C21N22179.8°180.0°
C18C20C25C24179.7°180.0°
C18C20C25H100.3°0.1°
C20C18N17H111.7°4.8°
C20C21N22C230.2°0.1°
C21C20C25C240.9°0.2°
C21C20C25H10179.1°179.6°
C20C21N22H9179.8°180.0°
N22C21C20C250.9°0.3°
C21N22C23H9180.0°179.9°
C21N22C23C240.4°0.2°
C21N22C23C27179.0°179.9°
C20C25C24H10180.0°179.8°
C20C25C24C230.3°0.0°
C20C25C24H8179.7°180.0°
N22C23C24C250.4°0.2°
N22C23C24C27178.5°179.9°
N22C23C27F2931.1°60.2°
N22C23C27F2888.0°179.8°
N22C23C27F30151.3°59.9°
N22C23C24H8179.6°179.8°
C25C24C23H8180.0°180.0°
C25C24C23C27178.9°179.9°
C24C23C27F29150.1°120.0°
C24C23C27F2890.8°0.1°
C24C23C27F3030.0°120.0°
C23C24C25H10179.7°179.9°
C24C23N22H9179.6°179.7°
C23C27F29F28125.7°120.0°
C23C27F29F30126.2°120.0°
C23C27F28F30126.5°119.9°
C27C23C24H81.1°0.1°
C27C23N22H91.0°0.1°
F29C27F28F30107.9°120.0°
H1C11C10H20.1°0.3°
H1C11C12H30.1°0.0°
H2C10C09H70.4°0.3°
H4C03C04H50.5°0.0°
H5C04C05H60.7°0.1°
H8C24C25H100.3°0.1°

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PDB entries from 2024-07-17

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