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WYT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
O1C3doub1.21Å1.24Å
C3C2sing1.51Å1.53Å
C3N1sing1.35Å1.34Å
N1C4sing1.40Å1.40Å
C4C5doub1.39Å1.39ÅAromatic
C4C9sing1.39Å1.38ÅAromatic
C5C6sing1.39Å1.36ÅAromatic
C9C8doub1.38Å1.38ÅAromatic
C6O2sing1.36Å1.38Å
C6C7doub1.39Å1.37ÅAromatic
C8C7sing1.38Å1.38ÅAromatic
O2C10sing1.36Å1.35Å
CL1C13sing1.74Å1.75Å
C10C13doub1.39Å1.38ÅAromatic
C10N2sing1.33Å1.32ÅAromatic
C24N6sing1.47Å1.48Å
N6C22sing1.47Å1.45Å
N6C21sing1.47Å1.45Å
C13C12sing1.38Å1.38ÅAromatic
N2C11doub1.32Å1.34ÅAromatic
C22C23sing1.53Å1.50Å
C23N5sing1.47Å1.46Å
C21C20sing1.53Å1.51Å
C18C19doub1.38Å1.37ÅAromatic
C18C17sing1.39Å1.40ÅAromatic
N5C20sing1.47Å1.46Å
N5C17sing1.40Å1.40Å
C19C14sing1.39Å1.38ÅAromatic
C17C16doub1.39Å1.40ÅAromatic
C12N3doub1.32Å1.33ÅAromatic
C11N3sing1.33Å1.34ÅAromatic
C11N4sing1.39Å1.36Å
C14N4sing1.40Å1.41Å
C14C15doub1.39Å1.40ÅAromatic
C16C15sing1.38Å1.38ÅAromatic
C15O3sing1.36Å1.35Å
O3C25sing1.43Å1.42Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C5H7sing1.08Å1.08Å
N1H6sing0.97Å1.00Å
C7H8sing1.08Å1.08Å
C8H9sing1.08Å1.08Å
C9H10sing1.08Å1.08Å
C12H11sing1.08Å1.08Å
N4H12sing0.97Å1.00Å
C16H13sing1.08Å1.08Å
C18H14sing1.08Å1.08Å
C19H15sing1.08Å1.08Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C21H18sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C24H25sing1.09Å1.10Å
C24H26sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C25H29sing1.09Å1.10Å
C25H27sing1.09Å1.10Å
C25H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3116.2°109.5°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C2C1H3109.5°109.5°
C1C2H4107.7°109.5°
C1C2H5107.7°109.5°
O1C3C2125.3°120.0°
O1C3N1120.4°120.0°
C2C3N1114.3°120.0°
C3C2H4107.8°109.5°
C3C2H5107.8°109.4°
C3N1C4128.3°120.0°
C3N1H6115.8°120.0°
N1C4C5125.2°120.1°
N1C4C9113.4°120.0°
C4N1H6115.8°120.1°
C5C4C9121.2°119.9°
C4C5C6117.4°119.9°
C4C5H7121.3°120.0°
C4C9C8118.9°120.0°
C4C9H10120.5°120.0°
C5C6O2122.0°120.0°
C5C6C7123.1°119.9°
C6C5H7121.3°120.1°
C9C8C7120.5°120.1°
C9C8H9119.7°119.9°
C8C9H10120.6°120.0°
O2C6C7114.9°120.0°
C6O2C10116.4°118.0°
C6C7C8118.4°120.1°
C6C7H8120.8°119.9°
C8C7H8120.8°119.9°
C7C8H9119.7°120.0°
O2C10C13116.8°120.5°
O2C10N2120.6°120.5°
CL1C13C10121.6°120.7°
CL1C13C12122.1°120.8°
C13C10N2122.6°119.0°
C10C13C12116.3°118.5°
C10N2C11117.2°120.7°
C24N6C22110.6°111.0°
C24N6C21110.7°111.1°
N6C24H25109.5°109.5°
N6C24H26109.4°109.5°
N6C24H24109.4°109.5°
C22N6C21111.7°110.9°
N6C22C23112.9°109.3°
N6C22H20108.6°109.5°
N6C22H21108.6°109.4°
N6C21C20114.8°109.4°
N6C21H19108.1°109.5°
N6C21H18108.1°109.5°
C13C12N3122.4°119.2°
C13C12H11118.8°120.3°
N2C11N3124.8°121.6°
N2C11N4118.3°119.2°
C22C23N5116.6°109.4°
C23C22H20108.6°109.5°
C23C22H21108.6°109.5°
C22C23H23107.7°109.5°
C22C23H22107.7°109.5°
C23N5C20122.3°110.9°
C23N5C17118.5°111.0°
N5C23H23107.6°109.5°
N5C23H22107.7°109.5°
C21C20N5114.7°109.4°
C21C20H16108.2°109.5°
C21C20H17108.2°109.5°
C20C21H19108.1°109.5°
C20C21H18108.1°109.5°
C19C18C17120.5°120.1°
C18C19C14119.7°120.1°
C19C18H14119.7°119.9°
C18C19H15120.2°120.0°
C18C17N5118.2°120.0°
C18C17C16119.3°120.0°
C17C18H14119.7°120.0°
C20N5C17119.2°111.0°
N5C20H16108.2°109.5°
N5C20H17108.1°109.5°
N5C17C16122.3°120.0°
C19C14N4121.0°120.0°
C19C14C15121.1°119.9°
C14C19H15120.1°120.0°
C17C16C15120.1°120.0°
C17C16H13120.0°120.0°
C12N3C11116.7°120.9°
N3C12H11118.8°120.4°
N3C11N4116.9°119.2°
C11N4C14128.6°120.0°
C11N4H12115.7°120.0°
N4C14C15117.9°120.0°
C14N4H12115.7°120.0°
C14C15C16119.2°119.9°
C14C15O3115.1°120.0°
C16C15O3125.7°120.1°
C15C16H13119.9°120.0°
C15O3C25118.1°117.0°
O3C25H29109.5°109.5°
O3C25H27109.4°109.4°
O3C25H28109.5°109.5°
H1C1H2109.4°109.5°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H4C2H5109.5°109.5°
H16C20H17109.4°109.5°
H19C21H18109.5°109.4°
H20C22H21109.5°109.5°
H23C23H22109.5°109.4°
H25C24H26109.5°109.5°
H25C24H24109.4°109.5°
H26C24H24109.5°109.4°
H29C25H27109.4°109.5°
H29C25H28109.5°109.5°
H27C25H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3O163.7°0.0°
C1C2C3H4121.0°120.0°
C1C2C3H5121.0°120.0°
C1C2C3N1116.3°180.0°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.0°
C1C2H4H5116.9°120.0°
O1C3C2N1180.0°180.0°
O1C3N1C412.5°4.2°
O1C3C2H4175.3°120.0°
O1C3C2H557.2°120.0°
O1C3N1H6167.5°175.8°
C2C3N1C4167.4°175.8°
C3C2C1H1180.0°60.0°
C3C2C1H260.0°180.0°
C3C2C1H360.0°60.0°
C3C2H4H5117.0°120.0°
C2C3N1H612.6°4.2°
C3N1C4H6180.0°180.0°
C3N1C4C518.9°35.1°
C3N1C4C9156.9°144.6°
N1C3C2H44.7°60.0°
N1C3C2H5122.7°60.0°
N1C4C5C9175.5°179.7°
N1C4C5C6177.7°179.7°
N1C4C9C8178.6°179.7°
N1C4C5H72.3°0.2°
N1C4C9H101.4°0.3°
C4C5C6H7180.0°179.9°
C5C4C9C85.4°0.0°
C4C5C6O2175.0°180.0°
C4C5C6C76.1°0.1°
C5C4N1H6161.0°144.8°
C5C4C9H10174.6°180.0°
C9C4C5C66.8°0.0°
C4C9C8H10180.0°180.0°
C4C9C8C72.9°0.0°
C9C4C5H7173.2°180.0°
C9C4N1H623.1°35.4°
C4C9C8H9177.1°180.0°
C5C6O2C7179.0°179.9°
C5C6C7C83.8°0.1°
C5C6O2C1089.0°75.2°
C5C6C7H8176.2°180.0°
C9C8C7C62.1°0.0°
C9C8C7H9180.0°180.0°
C9C8C7H8177.9°180.0°
O2C6C7C8177.2°180.0°
C6O2C10C13137.1°175.0°
C6O2C10N241.0°4.7°
O2C6C5H75.0°0.1°
O2C6C7H82.8°0.1°
C6C7C8H8180.0°180.0°
C7C6O2C1092.1°104.7°
C7C6C5H7173.9°180.0°
C6C7C8H9177.9°180.0°
C7C8C9H10177.1°180.0°
O2C10C13CL10.8°0.0°
O2C10C13N2178.1°179.7°
O2C10C13C12179.2°179.7°
O2C10N2C11178.8°180.0°
CL1C13C10C12178.4°179.7°
CL1C13C10N2178.9°179.7°
CL1C13C12N3179.5°179.7°
CL1C13C12H110.5°0.0°
C13C10N2C113.2°0.3°
C10C13C12N31.2°0.6°
C10C13C12H11178.8°179.7°
N2C10C13C122.7°0.6°
C10N2C11N32.2°0.0°
C10N2C11N4178.8°180.0°
C24N6C22C21123.8°123.9°
C24N6C22C23179.8°176.8°
C24N6C21C20179.6°176.8°
C24N6C21H1959.6°56.8°
C24N6C21H1858.8°63.2°
C24N6C22H2059.3°56.8°
C24N6C22H2159.7°63.3°
N6C24H25H26120.0°120.1°
N6C24H25H24120.0°120.0°
N6C24H26H24120.0°120.0°
N6C22C23H20120.5°120.0°
N6C22C23H21120.5°119.9°
N6C22C23N532.6°58.4°
C22N6C21C2056.7°59.3°
C22N6C21H1964.1°179.3°
C22N6C21H18177.4°60.7°
N6C22H20H21118.4°120.0°
N6C22C23H2388.4°178.4°
N6C22C23H22153.7°61.6°
C22N6C24H25180.0°60.0°
C22N6C24H2660.0°180.0°
C22N6C24H2460.0°60.0°
C21N6C22C2356.4°59.3°
N6C21C20H19120.8°120.1°
N6C21C20H18120.8°120.0°
N6C21C20N531.8°58.4°
N6C21C20H16152.6°61.6°
N6C21C20H1789.0°178.3°
N6C21H19H18117.6°120.0°
C21N6C22H20176.9°179.2°
C21N6C22H2164.1°60.7°
C21N6C24H2555.6°176.2°
C21N6C24H2664.4°56.1°
C21N6C24H24175.6°63.8°
C13C12N3H11180.0°179.7°
C13C12N3C110.2°0.3°
N2C11N3C120.7°0.0°
N2C11N3N4179.0°180.0°
N2C11N4C142.1°174.2°
N2C11N4H12177.9°5.8°
C22C23N5H23121.0°120.0°
C22C23N5H22121.0°120.0°
C22C23N5C209.2°59.3°
C22C23N5C17169.3°176.8°
C23C22H20H21118.4°120.1°
C22C23H23H22116.8°120.0°
C23N5C20C218.4°59.3°
C23N5C17C1823.1°123.9°
C23N5C20C17178.5°123.9°
C23N5C17C16161.8°56.2°
C23N5C20H16129.2°60.7°
C23N5C20H17112.4°179.2°
N5C23C22H20153.1°178.3°
N5C23C22H2187.9°61.5°
N5C23H23H22116.8°120.0°
C21C20N5H16120.8°120.0°
C21C20N5H17120.8°119.9°
C21C20N5C17170.1°176.8°
C21C20H16H17117.6°120.0°
C20C21H19H18117.6°120.0°
C19C18C17H14180.0°179.5°
C19C18C17N5178.3°179.8°
C18C19C14H15180.0°179.5°
C19C18C17C163.0°0.3°
C18C19C14N4179.9°179.7°
C18C19C14C150.8°0.5°
C18C17N5C20158.3°0.1°
C18C17N5C16175.1°179.9°
C17C18C19C140.6°0.5°
C18C17C16C154.2°0.0°
C18C17C16H13175.8°180.0°
C17C18C19H15179.4°180.0°
C20N5C17C1616.8°180.0°
N5C20H16H17117.6°120.0°
N5C20C21H1989.0°178.4°
N5C20C21H18152.5°61.6°
C20N5C23H23111.8°179.3°
C20N5C23H22130.2°60.7°
N5C17C16C15179.3°179.9°
N5C17C16H130.8°0.0°
N5C17C18H141.7°0.3°
C17N5C20H1649.3°63.2°
C17N5C20H1769.1°56.9°
C17N5C23H2369.6°56.8°
C17N5C23H2248.3°63.2°
C19C14N4C1130.8°33.9°
C19C14N4C15179.3°179.8°
C19C14C15C160.3°0.2°
C19C14C15O3179.5°179.7°
C19C14N4H12149.2°146.1°
C14C19C18H14179.4°180.0°
C17C16C15C142.8°0.0°
C17C16C15H13180.0°180.0°
C17C16C15O3176.9°180.0°
C16C17C18H14177.0°179.8°
C12N3C11N4179.7°180.0°
N3C11N4C14177.0°5.8°
C11N3C12H11179.7°180.0°
N3C11N4H123.0°174.2°
C11N4C14H12180.0°180.0°
C11N4C14C15148.5°145.9°
N4C14C15C16178.9°180.0°
N4C14C15O31.3°0.1°
N4C14C19H150.1°0.2°
C14C15C16O3179.8°179.9°
C14C15O3C25160.3°180.0°
C15C14N4H1231.5°34.0°
C14C15C16H13177.2°180.0°
C15C14C19H15179.2°180.0°
C16C15O3C2519.5°0.0°
O3C15C16H133.1°0.1°
C15O3C25H29180.0°60.0°
C15O3C25H2760.0°59.9°
C15O3C25H2860.0°180.0°
O3C25H29H27120.0°120.0°
O3C25H29H28120.0°120.0°
O3C25H27H28120.0°120.0°
H1C1H2H3120.0°120.0°
H1C1C2H459.0°180.0°
H1C1C2H559.0°60.0°
H2C1C2H460.9°60.0°
H2C1C2H5179.0°60.0°
H3C1C2H4179.1°60.0°
H3C1C2H561.0°180.0°
H8C7C8H92.1°0.0°
H9C8C9H102.9°0.0°
H14C18C19H150.5°0.5°
H16C20C21H1931.8°58.4°
H16C20C21H1886.7°178.4°
H17C20C21H19150.2°61.6°
H17C20C21H1831.8°58.3°
H20C22C23H2332.1°61.6°
H20C22C23H2285.8°58.3°
H21C22C23H23151.1°58.5°
H21C22C23H2233.1°178.5°
H25C24H26H24120.0°120.0°
H29C25H27H28120.0°120.0°

247947

PDB entries from 2026-01-21

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