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QFE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C19sing1.53Å1.51Å
C20Osing1.43Å1.44Å
C19C18sing1.53Å1.53Å
C18N6sing1.46Å1.46Å
C18C22sing1.53Å1.54Å
OC21sing1.43Å1.44Å
N6C16sing1.41Å1.36Å
C16C17sing1.40Å1.40ÅAromatic
C16C15doub1.36Å1.36ÅAromatic
C1Nsing1.37Å1.37ÅAromatic
C1C2doub1.34Å1.35ÅAromatic
C21C22sing1.53Å1.52Å
CNsing1.47Å1.46Å
C22N7sing1.47Å1.47Å
C17N5doub1.31Å1.33ÅAromatic
C15N4sing1.36Å1.35ÅAromatic
NC4sing1.38Å1.38ÅAromatic
C2C3sing1.46Å1.44ÅAromatic
N4N5sing1.40Å1.37ÅAromatic
N4C12sing1.40Å1.43Å
C4C3doub1.41Å1.41ÅAromatic
C4C5sing1.39Å1.39ÅAromatic
C3C8sing1.41Å1.41ÅAromatic
N2C11sing1.35Å1.39ÅAromatic
N2C9doub1.31Å1.33ÅAromatic
C5C6doub1.38Å1.39ÅAromatic
C12C11doub1.41Å1.45ÅAromatic
C12C13sing1.39Å1.40ÅAromatic
C8C9sing1.48Å1.47Å
C8C7doub1.39Å1.40ÅAromatic
C11C10sing1.41Å1.39ÅAromatic
C9N1sing1.37Å1.37ÅAromatic
C6C7sing1.38Å1.39ÅAromatic
C13C14doub1.38Å1.39ÅAromatic
C10N1sing1.38Å1.37ÅAromatic
C10N3doub1.32Å1.35ÅAromatic
C14N3sing1.32Å1.34ÅAromatic
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
N6H3sing0.97Å1.00Å
C7H4sing1.08Å1.08Å
C13H5sing1.08Å1.08Å
C14H6sing1.08Å1.08Å
C15H7sing1.08Å1.08Å
C19H8sing1.09Å1.10Å
C19H9sing1.09Å1.10Å
C20H10sing1.09Å1.10Å
C20H11sing1.09Å1.10Å
C21H12sing1.09Å1.10Å
C21H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
N7H15sing1.01Å1.00Å
N7H16sing1.01Å1.00Å
C18H18sing1.09Å1.10Å
C17H19sing1.08Å1.08Å
N1H20sing0.97Å1.00Å
C6H22sing1.08Å1.08Å
C5H23sing1.08Å1.08Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C20O111.5°109.4°
C20C19C18109.2°109.2°
C20C19H8109.5°109.6°
C20C19H9109.5°109.6°
C19C20H10109.0°109.5°
C19C20H11109.0°109.4°
C20OC21111.4°114.1°
OC20H10109.0°109.5°
OC20H11109.0°109.5°
C19C18N6111.7°109.6°
C19C18C22110.5°109.1°
C18C19H8109.5°109.5°
C18C19H9109.5°109.5°
C19C18H18107.3°109.5°
N6C18C22111.7°109.6°
C18N6C16121.6°120.0°
C18N6H3106.3°119.9°
N6C18H18108.1°109.5°
C18C22C21108.8°109.2°
C18C22N7113.4°109.5°
C18C22H14108.9°109.6°
C22C18H18107.3°109.6°
OC21C22112.6°109.4°
OC21H12108.7°109.5°
OC21H13108.7°109.4°
N6C16C17125.8°126.1°
N6C16C15129.4°126.1°
C16N6H3106.4°120.1°
C17C16C15104.8°107.8°
C16C17N5112.0°108.4°
C16C17H19124.0°125.8°
C16C15N4107.3°107.5°
C16C15H7126.3°126.2°
NC1C2110.5°109.8°
C1NC125.6°125.0°
C1NC4108.2°109.9°
NC1H1124.7°125.1°
C1C2C3106.6°107.0°
C2C1H1124.7°125.0°
C1C2H2126.7°126.5°
C21C22N7107.0°109.5°
C22C21H12108.7°109.5°
C22C21H13108.7°109.5°
C21C22H14109.0°109.5°
CNC4126.0°125.1°
NCH24109.5°109.5°
NCH25109.5°109.4°
NCH26109.5°109.4°
N7C22H14109.7°109.5°
C22N7H15109.5°111.0°
C22N7H16109.5°111.0°
C17N5N4104.1°108.4°
N5C17H19124.0°125.9°
C15N4N5111.7°107.9°
C15N4C12128.2°126.1°
N4C15H7126.3°126.3°
NC4C3107.8°107.1°
NC4C5130.2°133.4°
C2C3C4106.8°106.2°
C2C3C8134.3°134.0°
C3C2H2126.7°126.5°
N5N4C12119.8°126.0°
N4C12C11121.1°121.0°
N4C12C13119.6°121.0°
C3C4C5122.0°119.5°
C4C3C8118.7°119.8°
C4C5C6118.3°120.2°
C4C5H23120.9°119.9°
C3C8C9122.4°120.3°
C3C8C7118.8°119.3°
C11N2C9104.7°109.5°
N2C11C12134.4°133.6°
N2C11C10110.3°107.5°
N2C9C8123.3°125.2°
N2C9N1112.3°109.7°
C5C6C7120.9°120.9°
C5C6H22119.5°119.6°
C6C5H23120.8°119.9°
C11C12C13119.0°118.0°
C12C11C10115.3°118.9°
C12C13C14118.9°119.5°
C12C13H5120.5°120.3°
C9C8C7118.1°120.3°
C8C9N1124.0°125.1°
C8C7C6120.8°120.2°
C8C7H4119.6°119.9°
C11C10N1105.7°106.0°
C11C10N3126.5°120.4°
C9N1C10107.0°107.3°
C9N1H20126.5°126.4°
C6C7H4119.6°119.9°
C7C6H22119.5°119.6°
C13C14N3124.0°121.4°
C14C13H5120.6°120.2°
C13C14H6118.0°119.3°
N1C10N3127.7°133.6°
C10N1H20126.5°126.3°
C10N3C14116.3°121.8°
N3C14H6118.0°119.3°
H8C19H9109.5°109.5°
H10C20H11109.5°109.5°
H12C21H13109.5°109.5°
H15N7H16109.5°111.0°
H24CH25109.5°109.5°
H24CH26109.5°109.5°
H25CH26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C20OH10120.3°120.0°
C19C20OH11120.3°120.0°
C20C19C18H8119.9°120.0°
C20C19C18H9120.0°120.0°
C20C19C18N6179.8°176.9°
C20C19C18C2255.2°56.9°
C19C20OC2160.2°61.2°
C20C19H8H9120.1°120.2°
C19C20H10H11119.1°120.0°
C20C19C18H1861.5°63.0°
OC20C19C1858.1°57.6°
C20OC21C2259.2°61.2°
OC20C19H8178.1°177.5°
OC20C19H961.8°62.3°
OC20H10H11119.1°120.1°
C20OC21H12179.7°58.8°
C20OC21H1361.3°178.8°
C19C18N6C22124.4°119.6°
C19C18N6H18117.8°120.1°
C19C18C22H18116.7°119.8°
C19C18N6C16167.7°85.0°
C19C18C22C2153.5°56.9°
C19C18C22N765.4°62.9°
C19C18N6H346.0°95.0°
C18C19H8H9120.1°120.0°
C18C19C20H10178.5°177.6°
C18C19C20H1162.2°62.4°
C19C18C22H14172.1°176.9°
N6C18C22H18118.3°120.2°
C18N6C16H3121.7°180.0°
C18N6C16C17155.8°0.0°
C18N6C16C1522.9°180.0°
N6C18C22C21178.5°176.9°
N6C18C22N759.6°57.0°
N6C18C19H859.9°63.2°
N6C18C19H960.2°56.9°
N6C18C22H1462.9°63.2°
C18C22C21O55.4°57.6°
C22C18N6C1668.0°155.4°
C18C22C21N7122.9°119.9°
C18C22C21H14118.6°120.0°
C18C22N7H14122.0°120.2°
C22C18N6H3170.3°24.6°
C22C18C19H8175.1°176.9°
C22C18C19H964.8°63.1°
C18C22C21H12175.9°62.4°
C18C22C21H1365.1°177.5°
C18C22N7H15180.0°179.7°
C18C22N7H1660.0°56.4°
OC21C22H12120.5°120.0°
OC21C22H13120.5°120.0°
OC21C22N767.5°62.3°
C21OC20H10179.5°178.9°
C21OC20H1160.1°58.8°
OC21H12H13118.6°120.0°
OC21C22H14174.0°177.6°
N6C16C17C15178.9°180.0°
N6C16C17N5178.7°180.0°
N6C16C15N4179.5°180.0°
N6C16C15H70.5°0.3°
C16N6C18H1849.8°35.2°
N6C16C17H191.3°0.0°
C16C17N5H19180.0°180.0°
C17C16C15N41.6°0.0°
C16C17N5N42.0°0.0°
C17C16N6H382.6°180.0°
C17C16C15H7178.4°179.7°
C15C16C17N50.3°0.0°
C16C15N4H7180.0°179.7°
C16C15N4N53.0°0.0°
C16C15N4C12175.8°179.7°
C15C16N6H398.8°0.1°
C15C16C17H19179.7°180.0°
NC1C2H1180.0°179.8°
C1NCC4173.5°180.0°
NC1C2C33.5°0.0°
C1NC4C31.0°0.0°
C1NC4C5178.5°180.0°
NC1C2H2176.5°180.0°
C1NCH24180.0°90.0°
C1NCH2560.0°149.9°
C1NCH2660.0°29.9°
C2C1NC177.3°180.0°
C2C1NC42.9°0.0°
C1C2C3H2180.0°180.0°
C1C2C3C42.8°0.0°
C1C2C3C8177.5°179.9°
C21C22N7H14118.1°120.1°
C22C21H12H13118.6°120.1°
C21C22N7H1560.0°60.0°
C21C22N7H16179.9°176.1°
C21C22C18H1863.2°62.9°
CNC4C3175.4°180.0°
CNC4C54.1°0.0°
CNC1H12.6°0.2°
NCH24H25120.0°120.0°
NCH24H26120.0°120.0°
NCH25H26120.0°120.0°
N7C22C21H1253.0°177.7°
N7C22C21H13172.1°57.7°
C22N7H15H16120.0°123.9°
N7C22C18H18177.9°177.2°
C17N5N4C153.1°0.0°
C17N5N4C12176.5°179.7°
C15N4N5C12173.4°179.8°
C15N4C12C114.6°180.0°
C15N4C12C13177.9°0.1°
NC4C3C21.1°0.0°
NC4C3C5179.5°180.0°
NC4C3C8176.8°180.0°
NC4C5C6178.7°180.0°
C4NC1H1177.1°179.7°
NC4C5H231.2°0.0°
C4NCH246.5°90.0°
C4NCH25113.5°30.0°
C4NCH26126.5°150.0°
C2C3C4C8175.7°180.0°
C2C3C4C5179.4°180.0°
C2C3C8C99.3°0.1°
C2C3C8C7179.4°180.0°
C3C2C1H1176.5°179.8°
N5N4C12C11167.6°0.3°
N5N4C12C135.7°179.6°
N5N4C15H7177.0°179.7°
N4N5C17H19178.0°180.0°
N4C12C11N26.3°0.2°
N4C12C11C13173.3°179.9°
N4C12C11C10172.6°179.9°
N4C12C13C14174.1°180.0°
N4C12C13H55.9°0.1°
C12N4C15H74.2°0.0°
C3C4C5C61.9°0.0°
C4C3C8C9176.5°180.0°
C4C3C8C76.3°0.1°
C4C3C2H2177.2°180.0°
C3C4C5H23178.1°180.0°
C5C4C3C83.7°0.0°
C4C5C6H23180.0°180.0°
C4C5C6C72.9°0.0°
C4C5C6H22177.2°179.9°
C3C8C9N28.5°0.2°
C3C8C9C7170.2°179.9°
C3C8C9N1164.7°180.0°
C3C8C7C67.5°0.1°
C8C3C2H22.4°0.1°
C3C8C7H4172.5°180.0°
N2C11C12C10178.9°179.9°
N2C11C12C13179.6°180.0°
C11N2C9C8175.0°180.0°
C11N2C9N11.1°0.2°
N2C11C10N11.3°0.0°
N2C11C10N3179.8°179.9°
C9N2C11C12178.8°179.8°
N2C9C8N1173.2°179.7°
N2C9C8C7178.7°179.7°
C9N2C11C100.1°0.1°
N2C9N1C102.0°0.2°
N2C9N1H20178.0°179.9°
C5C6C7C85.8°0.1°
C5C6C7H22180.0°179.9°
C5C6C7H4174.2°180.0°
C11C12C13C140.7°0.1°
C12C11C10N1177.9°180.0°
C12C11C10N31.0°0.2°
C11C12C13H5179.3°180.0°
C13C12C11C100.7°0.0°
C12C13C14H5180.0°180.0°
C12C13C14N32.1°0.2°
C12C13C14H6177.9°180.0°
C9C8C7C6178.0°180.0°
C8C9N1C10175.8°180.0°
C9C8C7H42.0°0.1°
C8C9N1H204.2°0.1°
C7C8C9N15.5°0.1°
C8C7C6H4180.0°180.0°
C8C7C6H22174.2°180.0°
C11C10N1C91.9°0.2°
C11C10N1N3178.9°179.9°
C11C10N3C140.2°0.3°
C11C10N1H20178.1°179.9°
C9N1C10H20180.0°179.9°
C9N1C10N3179.2°180.0°
C7C6C5H23177.2°180.0°
C13C14N3C101.8°0.3°
C13C14N3H6180.0°179.8°
N1C10N3C14178.9°179.9°
C10N3C14H6178.2°179.9°
N3C10N1H200.8°0.1°
N3C14C13H5177.9°179.8°
H1C1C2H23.6°0.3°
H3N6C18H1871.9°144.8°
H4C7C6H225.7°0.1°
H5C13C14H62.0°0.1°
H8C19C20H1061.6°62.5°
H8C19C20H1157.8°57.5°
H8C19C18H1858.5°57.0°
H9C19C20H1058.5°57.7°
H9C19C20H11177.8°177.7°
H9C19C18H18178.6°177.0°
H12C21C22H1465.6°57.6°
H13C21C22H1453.5°62.4°
H14C22N7H1558.1°60.1°
H14C22N7H1662.0°63.8°
H14C22C18H1855.4°57.0°
H22C6C5H232.8°0.1°
H24CH25H26120.0°120.0°

247947

PDB entries from 2026-01-21

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