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2ED

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C18doub1.21Å1.22Å
O3Csing1.43Å1.43Å
O3HO3sing0.97Å0.95Å
O1C2sing1.43Å1.43Å
O1HO1sing0.97Å0.95Å
C1C2sing1.53Å1.52Å
C1Nsing1.46Å1.46Å
C1Csing1.53Å1.52Å
C1H1sing1.09Å1.10Å
C2C3sing1.51Å1.51Å
C2H2sing1.09Å1.10Å
C3C4doub1.31Å1.33Å
C3H3sing1.08Å1.08Å
C4C5sing1.51Å1.51Å
C4H4sing1.08Å1.08Å
C5C6sing1.53Å1.51Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C18C19sing1.51Å1.50Å
C18Nsing1.35Å1.33Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C19H19Bsing1.09Å1.10Å
NHNsing0.97Å1.00Å
CHsing1.09Å1.10Å
CHAsing1.09Å1.10Å
C6C10sing1.53Å1.54Å
C10C11sing1.53Å1.54Å
C11C12sing1.53Å1.56Å
C12C13sing1.53Å1.55Å
C13C14sing1.53Å1.55Å
C14C15sing1.53Å1.55Å
C15C16sing1.53Å1.55Å
C16C17sing1.53Å1.55Å
C17C181sing1.53Å1.55Å
C181C191sing1.53Å1.55Å
C191C20sing1.53Å1.55Å
C10H17sing1.09Å1.10Å
C10H18sing1.09Å1.10Å
C11H191sing1.09Å1.10Å
C11H20sing1.09Å1.10Å
C12H21sing1.09Å1.10Å
C12H22sing1.09Å1.10Å
C13H23sing1.09Å1.10Å
C13H24sing1.09Å1.10Å
C14H25sing1.09Å1.10Å
C14H26sing1.09Å1.10Å
C15H27sing1.09Å1.10Å
C15H28sing1.09Å1.10Å
C16H29sing1.09Å1.10Å
C16H30sing1.09Å1.10Å
C17H31sing1.09Å1.10Å
C17H32sing1.09Å1.10Å
C181H33sing1.09Å1.10Å
C181H34sing1.09Å1.10Å
C191H35sing1.09Å1.10Å
C191H36sing1.09Å1.10Å
C20H37sing1.09Å1.10Å
C20H38sing1.09Å1.10Å
C20H39sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C18C19122.1°120.0°
O2C18N122.2°120.0°
CO3HO3109.5°114.0°
O3CC1109.5°109.4°
O3CH109.5°109.5°
O3CHA109.5°109.5°
C2O1HO1109.5°114.0°
O1C2C1109.5°109.4°
O1C2C3109.5°109.5°
O1C2H2109.5°109.5°
C2C1N105.0°109.5°
C2C1C111.0°109.5°
C2C1H1110.0°109.5°
C1C2C3109.5°109.5°
C1C2H2109.5°109.5°
NC1C105.0°109.4°
NC1H1115.6°109.5°
C1NC18121.0°120.0°
C1NHN119.5°120.0°
CC1H1110.0°109.4°
C1CH109.5°109.4°
C1CHA109.5°109.4°
C3C2H2109.5°109.5°
C2C3C4120.0°120.0°
C2C3H3120.0°120.0°
C4C3H3120.0°120.0°
C3C4C5120.0°120.0°
C3C4H4120.0°120.0°
C5C4H4120.0°120.0°
C4C5C6109.5°109.5°
C4C5H5109.5°109.5°
C4C5H5A109.5°109.5°
C6C5H5109.5°109.5°
C6C5H5A109.5°109.5°
C5C6H6109.0°109.5°
C5C6H6A108.7°109.5°
C5C6C10110.9°109.5°
H5C5H5A109.5°109.5°
H6C6H6A110.6°109.5°
H6C6C10109.0°109.4°
H6AC6C10108.6°109.5°
C19C18N115.7°120.0°
C18C19H19109.5°109.5°
C18C19H19A109.4°109.4°
C18C19H19B109.5°109.5°
C18NHN119.5°120.0°
H19C19H19A109.4°109.5°
H19C19H19B109.5°109.5°
H19AC19H19B109.5°109.4°
HCHA109.5°109.5°
C6C10C11120.6°109.5°
C6C10H17105.9°109.5°
C6C10H18103.3°109.5°
C10C11C12113.5°109.5°
C11C10H17105.9°109.5°
C11C10H18103.3°109.5°
C10C11H191108.2°109.5°
C10C11H20107.2°109.5°
C11C12C13112.0°109.5°
C12C11H191108.1°109.4°
C12C11H20107.2°109.5°
C11C12H21108.6°109.5°
C11C12H22108.0°109.5°
C12C13C14113.0°109.5°
C13C12H21108.6°109.5°
C13C12H22108.1°109.5°
C12C13H23108.3°109.5°
C12C13H24107.5°109.5°
C13C14C15112.7°109.5°
C14C13H23108.3°109.5°
C14C13H24107.5°109.5°
C13C14H25108.4°109.5°
C13C14H26107.6°109.5°
C14C15C16112.3°109.4°
C15C14H25108.4°109.5°
C15C14H26107.7°109.5°
C14C15H27108.6°109.5°
C14C15H28107.9°109.5°
C15C16C17112.7°109.5°
C16C15H27108.5°109.5°
C16C15H28107.9°109.5°
C15C16H29108.4°109.5°
C15C16H30107.7°109.5°
C16C17C181112.1°109.5°
C17C16H29108.4°109.5°
C17C16H30107.7°109.5°
C16C17H31108.6°109.5°
C16C17H32108.0°109.5°
C17C181C191113.1°109.5°
C181C17H31108.6°109.5°
C181C17H32108.0°109.4°
C17C181H33108.3°109.4°
C17C181H34107.5°109.4°
C181C191C20112.8°109.5°
C191C181H33108.3°109.5°
C191C181H34107.5°109.5°
C181C191H35108.4°109.5°
C181C191H36107.6°109.5°
C20C191H35108.4°109.4°
C20C191H36107.6°109.5°
C191C20H37109.5°109.4°
C191C20H38109.4°109.4°
C191C20H39109.4°109.5°
H17C10H18118.7°109.5°
H191C11H20112.7°109.4°
H21C12H22111.5°109.4°
H23C13H24112.3°109.5°
H25C14H26112.1°109.5°
H27C15H28111.7°109.5°
H29C16H30112.0°109.5°
H31C17H32111.5°109.4°
H33C181H34112.3°109.5°
H35C191H36112.2°109.4°
H37C20H38109.5°109.5°
H37C20H39109.4°109.5°
H38C20H39109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C18NC1180.0°0.0°
O2C18C19N180.0°180.0°
O2C18C19H1910.4°0.0°
O2C18C19H19A109.6°120.0°
O2C18C19H19B130.4°120.0°
O2C18NHN0.0°179.9°
O3CC1C231.4°55.0°
O3CC1N144.3°65.0°
O3CC1H120.0°120.0°
O3CC1HA120.0°120.0°
O3CC1H190.7°175.0°
O3CHHA120.0°120.1°
HO3O3CC126.7°180.0°
HO3O3CH93.3°60.0°
HO3O3CHA146.7°60.1°
O1C2C1C3120.0°120.0°
O1C2C1H2120.0°120.0°
O1C2C1N3.1°65.0°
O1C2C1C116.1°55.0°
O1C2C1H1121.9°174.9°
O1C2C3H2120.0°120.0°
O1C2C3C4126.7°5.0°
O1C2C3H353.3°175.0°
HO1O1C2C1171.6°60.1°
HO1O1C2C351.6°59.9°
HO1O1C2H268.4°179.9°
C2C1NC117.1°120.0°
C2C1NH1121.4°120.1°
C2C1CH1122.0°120.0°
C1C2C3H2120.0°120.0°
C1C2C3C4113.3°125.0°
C1C2C3H366.7°55.0°
C2C1NC18173.0°155.0°
C2C1NHN7.0°24.9°
C2C1CH151.4°65.0°
C2C1CHA88.6°175.0°
NC1CH1125.0°120.0°
NC1C2C3123.2°55.0°
NC1C2H2116.8°175.0°
C1NC18C190.0°179.9°
C1NC18HN180.0°179.9°
NC1CH95.7°175.0°
NC1CHA24.3°55.0°
CC1C2C3123.9°175.0°
CC1C2H23.9°65.0°
CC1NC1869.9°85.0°
CC1NHN110.2°95.1°
C1CHHA120.0°120.0°
H1C1C2C31.9°65.0°
H1C1C2H2118.2°55.0°
H1C1NC1851.6°34.9°
H1C1NHN128.4°145.0°
H1C1CH29.3°55.0°
H1C1CHA149.3°65.0°
C2C3C4H3180.0°180.0°
C2C3C4C5180.0°NaN°
C2C3C4H40.0°0.0°
H2C2C3C46.7°115.0°
H2C2C3H3173.3°65.0°
C3C4C5H4180.0°180.0°
C3C4C5C6158.1°125.0°
C3C4C5H538.1°115.0°
C3C4C5H5A81.9°5.0°
H3C3C4C50.0°0.0°
H3C3C4H4179.9°180.0°
C4C5C6H5120.0°120.0°
C4C5C6H5A120.0°120.0°
C4C5H5H5A120.0°120.0°
C4C5C6H6107.2°60.1°
C4C5C6H6A13.5°60.0°
C4C5C6C10132.8°180.0°
H4C4C5C621.9°55.0°
H4C4C5H5141.9°65.0°
H4C4C5H5A98.1°175.0°
C6C5H5H5A120.0°120.0°
C5C6H6H6A119.4°120.1°
C5C6H6C10121.2°120.0°
C5C6H6AC10120.8°120.0°
C5C6C10C11123.3°180.0°
C5C6C10H17116.7°60.0°
C5C6C10H188.7°60.0°
H5C5C6H6132.8°180.0°
H5C5C6H6A106.6°60.0°
H5C5C6C1012.8°60.0°
H5AC5C6H612.8°59.9°
H5AC5C6H6A133.5°180.0°
H5AC5C6C10107.2°60.0°
H6C6H6AC10119.6°119.9°
H6C6C10C113.3°60.0°
H6C6C10H17123.3°180.0°
H6C6C10H18111.2°60.0°
H6AC6C10C11117.4°60.0°
H6AC6C10H172.7°60.0°
H6AC6C10H18128.1°180.0°
C18C19H19H19A120.0°120.0°
C18C19H19H19B120.0°120.0°
C18C19H19AH19B120.0°120.0°
C19C18NHN180.0°0.0°
NC18C19H19169.6°180.0°
NC18C19H19A70.4°60.0°
NC18C19H19B49.6°60.0°
H19C19H19AH19B120.0°120.0°
C6C10C11H17120.0°120.0°
C6C10C11H18114.5°120.0°
C6C10C11C1264.2°180.0°
C6C10H17H18115.4°120.0°
C6C10C11H191175.8°60.0°
C6C10C11H2054.0°60.0°
C10C11C12H191120.0°120.0°
C10C11C12H20118.2°120.0°
C10C11C12C13180.0°180.0°
C11C10H17H18115.4°120.0°
C10C11H191H20118.3°120.0°
C10C11C12H2160.0°60.0°
C10C11C12H2261.1°60.0°
C11C12C13H21120.0°120.0°
C11C12C13H22118.9°120.0°
C11C12C13C14180.0°180.0°
C12C11C10H1755.8°60.0°
C12C11C10H18178.7°60.0°
C12C11H191H20118.4°120.0°
C11C12H21H22118.9°120.0°
C11C12C13H2360.0°60.0°
C11C12C13H2461.5°60.0°
C12C13C14H23120.0°120.0°
C12C13C14H24118.4°120.0°
C12C13C14C15180.0°180.0°
C13C12C11H19160.0°60.0°
C13C12C11H2061.8°60.0°
C13C12H21H22119.0°120.0°
C12C13H23H24118.5°120.0°
C12C13C14H2560.0°60.0°
C12C13C14H2661.5°60.0°
C13C14C15H25120.0°120.0°
C13C14C15H26118.6°120.0°
C13C14C15C16180.0°180.0°
C14C13C12H2160.0°60.0°
C14C13C12H2261.1°60.0°
C14C13H23H24118.5°120.0°
C13C14H25H26118.7°120.0°
C13C14C15H2760.0°60.0°
C13C14C15H2861.2°60.0°
C14C15C16H27120.0°120.0°
C14C15C16H28118.8°120.0°
C14C15C16C17180.0°180.0°
C15C14C13H2360.0°60.0°
C15C14C13H2461.5°60.0°
C15C14H25H26118.7°120.0°
C14C15H27H28118.9°120.0°
C14C15C16H2960.0°60.0°
C14C15C16H3061.4°60.0°
C15C16C17H29120.0°120.0°
C15C16C17H30118.6°120.0°
C15C16C17C181180.0°180.0°
C16C15C14H2560.0°60.0°
C16C15C14H2661.4°60.0°
C16C15H27H28118.8°120.0°
C15C16H29H30118.7°120.0°
C15C16C17H3160.0°60.0°
C15C16C17H3261.1°60.0°
C16C17C181H31120.0°120.1°
C16C17C181H32118.9°120.0°
C16C17C181C191180.0°180.0°
C17C16C15H2760.0°60.0°
C17C16C15H2861.2°60.0°
C17C16H29H30118.7°120.0°
C16C17H31H32118.9°120.0°
C16C17C181H3360.0°60.0°
C16C17C181H3461.6°60.0°
C17C181C191H33120.0°120.0°
C17C181C191H34118.5°120.0°
C17C181C191C20180.0°179.9°
C181C17C16H2960.0°60.0°
C181C17C16H3061.4°60.0°
C181C17H31H32118.9°120.0°
C17C181H33H34118.5°120.0°
C17C181C191H3560.0°60.0°
C17C181C191H3661.5°60.0°
C181C191C20H35120.0°120.0°
C181C191C20H36118.5°120.0°
C191C181C17H3160.0°59.9°
C191C181C17H3261.1°60.0°
C191C181H33H34118.5°120.0°
C181C191H35H36118.6°120.0°
C181C191C20H37168.0°180.0°
C181C191C20H3847.9°60.0°
C181C191C20H3972.1°60.0°
C20C191C181H3360.0°60.1°
C20C191C181H3461.5°60.0°
C20C191H35H36118.6°120.0°
C191C20H37H38120.0°119.9°
C191C20H37H39119.9°120.1°
C191C20H38H39120.0°120.0°
H17C10C11H19164.2°180.0°
H17C10C11H20174.1°60.0°
H18C10C11H19161.3°60.0°
H18C10C11H2060.5°180.0°
H191C11C12H21180.0°180.0°
H191C11C12H2258.9°60.0°
H20C11C12H2158.2°60.1°
H20C11C12H22179.3°180.0°
H21C12C13H23180.0°180.0°
H21C12C13H2458.5°60.0°
H22C12C13H2358.9°60.0°
H22C12C13H24179.5°180.0°
H23C13C14H25180.0°180.0°
H23C13C14H2658.6°60.0°
H24C13C14H2558.5°60.0°
H24C13C14H26179.9°180.0°
H25C14C15H27180.0°180.0°
H25C14C15H2858.7°60.0°
H26C14C15H2758.6°60.0°
H26C14C15H28179.8°180.0°
H27C15C16H29180.0°180.0°
H27C15C16H3058.6°60.0°
H28C15C16H2958.8°60.0°
H28C15C16H30179.8°180.0°
H29C16C17H31180.0°180.0°
H29C16C17H3258.9°60.0°
H30C16C17H3158.6°60.0°
H30C16C17H32179.7°180.0°
H31C17C181H33180.0°180.0°
H31C17C181H3458.4°60.0°
H32C17C181H3358.9°60.0°
H32C17C181H34179.6°180.0°
H33C181C191H35180.0°180.0°
H33C181C191H3658.5°60.0°
H34C181C191H3558.5°60.0°
H34C181C191H36179.9°180.0°
H35C191C20H3772.1°60.1°
H35C191C20H38167.9°180.0°
H35C191C20H3947.9°60.0°
H36C191C20H3749.4°59.9°
H36C191C20H3870.6°60.0°
H36C191C20H39169.4°180.0°
H37C20H38H39120.0°120.0°

223532

PDB entries from 2024-08-07

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