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ERR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20O19sing1.43Å1.39Å
O19C15sing1.36Å1.38Å
O11C21sing1.43Å1.37Å
O11C14sing1.36Å1.35Å
C15C14doub1.39Å1.35ÅAromatic
C15C16sing1.38Å1.36ÅAromatic
C14C13sing1.39Å1.34ÅAromatic
C16C17doub1.40Å1.34ÅAromatic
C13O18sing1.36Å1.37Å
C13C12doub1.38Å1.35ÅAromatic
O18C22sing1.43Å1.37Å
C17C12sing1.40Å1.36ÅAromatic
C17C26sing1.48Å1.47Å
C31C26doub1.38Å1.35ÅAromatic
C31C30sing1.40Å1.37ÅAromatic
C26N27sing1.37Å1.33ÅAromatic
C30N29doub1.31Å1.30ÅAromatic
N27N23sing1.40Å1.32ÅAromatic
N27C28sing1.37Å1.25ÅAromatic
N23C24doub1.32Å1.28ÅAromatic
N29C28sing1.34Å1.33ÅAromatic
C28C25doub1.39Å1.41ÅAromatic
C24C25sing1.40Å1.38ÅAromatic
C24C07sing1.49Å1.50Å
C08C07doub1.40Å1.36ÅAromatic
C08C09sing1.36Å1.36ÅAromatic
C07C06sing1.39Å1.36ÅAromatic
C09C04doub1.39Å1.39ÅAromatic
C06C03doub1.39Å1.40ÅAromatic
C04C03sing1.41Å1.33ÅAromatic
C04N05sing1.38Å1.33ÅAromatic
C03C02sing1.46Å1.40ÅAromatic
C10N05sing1.46Å1.43Å
N05C01sing1.37Å1.29ÅAromatic
C02C01doub1.34Å1.35ÅAromatic
C30H1sing1.08Å1.08Å
C31H2sing1.08Å1.08Å
C20H3sing1.09Å1.10Å
C20H4sing1.09Å1.10Å
C20H5sing1.09Å1.10Å
C16H6sing1.08Å1.08Å
C22H7sing1.09Å1.10Å
C22H8sing1.09Å1.10Å
C22H9sing1.09Å1.10Å
C21H10sing1.09Å1.10Å
C21H11sing1.09Å1.10Å
C21H12sing1.09Å1.10Å
C12H13sing1.08Å1.08Å
C10H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C10H16sing1.09Å1.10Å
C01H17sing1.08Å1.08Å
C02H18sing1.08Å1.08Å
C06H19sing1.08Å1.08Å
C08H20sing1.08Å1.08Å
C09H21sing1.08Å1.08Å
C25H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20O19C15115.9°117.0°
O19C20H3109.5°109.5°
O19C20H4109.5°109.5°
O19C20H5109.4°109.5°
O19C15C14118.6°120.0°
O19C15C16121.3°120.0°
C21O11C14110.2°117.0°
O11C21H10109.5°109.5°
O11C21H11109.5°109.5°
O11C21H12109.5°109.5°
O11C14C15120.5°119.9°
O11C14C13117.5°119.9°
C14C15C16120.1°120.0°
C15C14C13122.0°120.1°
C15C16C17117.9°120.0°
C15C16H6121.1°120.0°
C14C13O18119.4°120.0°
C14C13C12118.2°120.0°
C16C17C12121.7°119.9°
C16C17C26121.7°120.1°
C17C16H6121.0°120.0°
O18C13C12122.4°120.0°
C13O18C22116.9°117.0°
C13C12C17120.1°120.0°
C13C12H13120.0°120.0°
O18C22H7109.5°109.4°
O18C22H8109.4°109.5°
O18C22H9109.5°109.5°
C12C17C26116.5°120.0°
C17C12H13120.0°120.0°
C17C26C31119.8°120.6°
C17C26N27119.7°120.6°
C26C31C30116.9°119.2°
C31C26N27120.4°118.8°
C26C31H2121.5°120.4°
C31C30N29119.7°120.5°
C31C30H1120.1°119.8°
C30C31H2121.6°120.4°
C26N27N23129.1°132.4°
C26N27C28120.8°119.6°
C30N29C28120.8°121.3°
N29C30H1120.1°119.8°
N23N27C28110.1°107.9°
N27N23C24110.0°108.7°
N27C28N29121.4°120.7°
N27C28C25108.1°107.0°
N23C24C25108.0°108.7°
N23C24C07124.9°125.6°
N29C28C25130.5°132.3°
C28C25C24103.8°107.6°
C28C25H22128.1°126.2°
C25C24C07127.1°125.7°
C24C25H22128.1°126.2°
C24C07C08118.3°119.9°
C24C07C06121.5°119.9°
C07C08C09120.0°120.7°
C08C07C06120.1°120.1°
C07C08H20120.0°119.6°
C08C09C04120.3°120.2°
C09C08H20120.0°119.7°
C08C09H21119.9°119.9°
C07C06C03119.7°119.4°
C07C06H19120.1°120.3°
C09C04C03119.7°119.6°
C09C04N05130.8°133.3°
C04C09H21119.9°119.9°
C06C03C04120.1°120.0°
C06C03C02134.3°133.9°
C03C06H19120.1°120.3°
C03C04N05109.5°107.1°
C04C03C02105.5°106.1°
C04N05C10125.0°125.0°
C04N05C01109.5°109.9°
C03C02C01106.3°107.0°
C03C02H18126.8°126.5°
C10N05C01125.5°125.0°
N05C10H14109.5°109.5°
N05C10H15109.5°109.5°
N05C10H16109.5°109.5°
N05C01C02109.1°109.9°
N05C01H17125.4°125.0°
C02C01H17125.4°125.0°
C01C02H18126.8°126.5°
H3C20H4109.5°109.4°
H3C20H5109.5°109.5°
H4C20H5109.5°109.5°
H7C22H8109.5°109.5°
H7C22H9109.5°109.5°
H8C22H9109.5°109.5°
H10C21H11109.4°109.5°
H10C21H12109.5°109.5°
H11C21H12109.5°109.5°
H14C10H15109.5°109.4°
H14C10H16109.5°109.5°
H15C10H16109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20O19C15C14165.1°180.0°
C20O19C15C1615.3°0.6°
O19C20H3H4120.0°120.0°
O19C20H3H5120.0°120.1°
O19C20H4H5120.0°120.0°
O19C15C14O110.3°0.3°
O19C15C14C16179.7°179.4°
O19C15C14C13179.1°180.0°
O19C15C16C17178.3°179.4°
C15O19C20H3180.0°180.0°
C15O19C20H460.0°60.0°
C15O19C20H560.0°60.0°
O19C15C16H61.7°0.3°
C21O11C14C15116.1°90.3°
C21O11C14C1362.8°90.0°
O11C21H10H11120.0°120.0°
O11C21H10H12120.0°120.0°
O11C21H11H12120.0°120.0°
O11C14C15C13178.9°179.7°
O11C14C15C16179.4°179.8°
O11C14C13O181.2°0.0°
O11C14C13C12179.1°179.5°
C14O11C21H10180.0°60.0°
C14O11C21H1160.0°60.0°
C14O11C21H1260.0°180.0°
C14C15C16C171.4°0.0°
C15C14C13O18180.0°179.7°
C15C14C13C120.3°0.8°
C14C15C16H6178.6°179.7°
C16C15C14C130.5°0.5°
C15C16C17H6180.0°179.7°
C15C16C17C122.0°0.3°
C15C16C17C26178.5°179.7°
C14C13O18C12179.7°179.5°
C14C13O18C22142.6°179.5°
C14C13C12C170.8°0.5°
C14C13C12H13179.2°179.4°
C16C17C12C131.8°0.0°
C16C17C12C26176.7°180.0°
C16C17C26C3144.6°65.0°
C16C17C26N27139.1°115.0°
C16C17C12H13178.2°179.9°
O18C13C12C17179.5°180.0°
C13O18C22H7180.0°60.0°
C13O18C22H860.0°180.0°
C13O18C22H960.0°60.0°
O18C13C12H130.5°0.1°
C12C13O18C2237.7°0.0°
C13C12C17H13180.0°179.9°
C13C12C17C26178.5°180.0°
O18C22H7H8120.0°120.0°
O18C22H7H9120.0°120.0°
O18C22H8H9120.0°120.0°
C12C17C26C31132.1°115.1°
C12C17C26N2744.2°64.9°
C12C17C16H6178.0°180.0°
C17C26C31N27176.3°180.0°
C17C26C31C30177.3°180.0°
C17C26N27N233.8°0.1°
C17C26N27C28177.7°179.8°
C17C26C31H22.7°0.0°
C26C17C16H61.4°0.0°
C26C17C12H131.5°0.1°
C26C31C30H2180.0°179.9°
C26C31C30N290.8°0.4°
C31C26N27N23180.0°180.0°
C31C26N27C281.4°0.2°
C26C31C30H1179.2°179.9°
C30C31C26N271.1°0.1°
C31C30N29H1180.0°179.5°
C31C30N29C280.7°0.5°
C26N27N23C28178.7°179.8°
C26N27N23C24178.6°179.9°
C26N27C28N291.4°0.1°
C26N27C28C25179.2°179.8°
N27C26C31H2178.9°180.0°
C30N29C28N271.1°0.2°
C30N29C28C25179.6°179.3°
N29C30C31H2179.2°179.7°
N23N27C28N29179.8°180.0°
N23N27C28C250.4°0.4°
N27N23C24C250.5°0.0°
N27N23C24C07178.3°179.8°
C28N27N23C240.1°0.2°
N27C28N29C25179.3°179.5°
N27C28C25C240.6°0.4°
N27C28C25H22179.4°179.6°
N23C24C25C280.7°0.3°
N23C24C25C07177.7°179.8°
N23C24C07C0825.5°179.7°
N23C24C07C06151.8°0.3°
N23C24C25H22179.3°179.7°
N29C28C25C24180.0°180.0°
C28N29C30H1179.3°180.0°
N29C28C25H220.0°0.1°
C28C25C24H22180.0°180.0°
C28C25C24C07178.4°180.0°
C25C24C07C08157.2°0.1°
C25C24C07C0625.5°180.0°
C24C07C08C06177.4°179.9°
C24C07C08C09178.4°180.0°
C24C07C06C03177.8°180.0°
C24C07C06H192.2°0.1°
C24C07C08H201.6°0.0°
C07C24C25H221.6°0.0°
C07C08C09H20180.0°180.0°
C07C08C09C040.4°0.0°
C08C07C06C030.6°0.1°
C08C07C06H19179.5°180.0°
C07C08C09H21179.6°180.0°
C09C08C07C061.0°0.1°
C08C09C04H21180.0°180.0°
C08C09C04C030.6°0.0°
C08C09C04N05179.2°179.6°
C07C06C03H19180.0°179.9°
C07C06C03C040.5°0.1°
C07C06C03C02179.4°179.9°
C06C07C08H20179.0°179.9°
C09C04C03C061.1°0.0°
C09C04C03N05179.9°179.7°
C09C04C03C02179.7°180.0°
C09C04N05C100.3°0.4°
C09C04N05C01179.6°179.9°
C04C09C08H20179.5°180.0°
C06C03C04C02179.2°180.0°
C06C03C04N05178.8°179.7°
C06C03C02C01178.9°180.0°
C06C03C02H181.1°0.1°
C03C04N05C10179.8°180.0°
C03C04N05C010.5°0.4°
C04C03C02C010.1°0.0°
C04C03C02H18179.9°179.9°
C04C03C06H19179.5°180.0°
C03C04C09H21179.4°180.0°
N05C04C03C020.4°0.3°
C04N05C10C01179.2°179.5°
C04N05C01C020.5°0.4°
C04N05C10H14180.0°90.1°
C04N05C10H1560.0°150.0°
C04N05C10H1660.0°30.0°
C04N05C01H17179.5°179.8°
N05C04C09H210.7°0.4°
C03C02C01N050.2°0.2°
C03C02C01H18180.0°179.9°
C03C02C01H17179.7°180.0°
C02C03C06H190.6°0.1°
C10N05C01C02179.7°180.0°
N05C10H14H15120.0°120.0°
N05C10H14H16120.0°120.1°
N05C10H15H16120.0°120.0°
C10N05C01H170.2°0.3°
N05C01C02H17180.0°179.7°
C01N05C10H140.9°90.5°
C01N05C10H15119.1°29.5°
C01N05C10H16120.9°149.5°
N05C01C02H18179.8°179.7°
H1C30C31H20.8°0.2°
H3C20H4H5120.0°120.0°
H7C22H8H9120.0°120.0°
H10C21H11H12120.0°120.0°
H14C10H15H16120.0°120.0°
H17C01C02H180.2°0.1°
H20C08C09H210.5°0.0°

223532

PDB entries from 2024-08-07

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