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A1CSA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O2sing1.36Å1.40Å
C1C9doub1.39Å1.39ÅAromatic
C1C13sing1.39Å1.38ÅAromatic
O2C3sing1.36Å1.40Å
C3C4doub1.39Å1.39ÅAromatic
C3C8sing1.39Å1.39ÅAromatic
C4C5sing1.38Å1.38ÅAromatic
C5C6doub1.38Å1.38ÅAromatic
C6C7sing1.38Å1.39ÅAromatic
C7C8doub1.38Å1.39ÅAromatic
C9C10sing1.38Å1.38ÅAromatic
C10C11doub1.39Å1.38ÅAromatic
C11C12sing1.39Å1.39ÅAromatic
C11C14sing1.48Å1.52Å
C12C13doub1.38Å1.39ÅAromatic
C14C15sing1.46Å1.44ÅAromatic
C14N18doub1.31Å1.31ÅAromatic
C15C16doub1.41Å1.41ÅAromatic
C15C19sing1.41Å1.37ÅAromatic
C16N17sing1.36Å1.27ÅAromatic
C16N22sing1.33Å1.33ÅAromatic
N17N18sing1.40Å1.30ÅAromatic
N17C24sing1.47Å1.44Å
C19N20doub1.33Å1.32ÅAromatic
C19N23sing1.38Å1.45Å
N20C21sing1.32Å1.33ÅAromatic
C21N22doub1.31Å1.34ÅAromatic
C24C25sing1.53Å1.52Å
C24C29sing1.53Å1.53Å
C25N26sing1.47Å1.41Å
N26C27sing1.47Å1.43Å
N26C30sing1.35Å1.45Å
C27C28sing1.53Å1.54Å
C28C29sing1.53Å1.56Å
C30O31doub1.22Å1.18Å
C30C32sing1.47Å1.53Å
C32C33doub1.33Å1.31Å
C33C34sing1.51Å1.53Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C24H24sing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C12H12sing1.08Å1.08Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C27H27Bsing1.09Å1.10Å
C29H29Bsing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C32H32sing1.08Å1.08Å
C33H33sing1.08Å1.08Å
C34H34Bsing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C34H34Csing1.09Å1.10Å
C9H9sing1.08Å1.08Å
N23H23Bsing0.97Å1.00Å
N23H23Asing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C1C9117.9°119.9°
O2C1C13122.5°119.9°
C1O2C3116.4°118.0°
C9C1C13119.6°120.1°
C1C9C10120.9°120.1°
C1C9H9119.6°120.0°
C1C13C12119.7°120.1°
C1C13H13120.2°120.0°
O2C3C4118.3°120.1°
O2C3C8122.0°120.1°
C4C3C8119.7°119.9°
C3C4C5120.5°120.0°
C3C4H4119.7°120.0°
C3C8C7119.5°119.9°
C3C8H8120.3°120.0°
C4C5C6120.0°120.0°
C5C4H4119.7°120.0°
C4C5H5120.0°120.0°
C5C6C7120.0°120.1°
C6C5H5120.0°119.9°
C5C6H6120.0°119.9°
C6C7C8120.3°120.1°
C7C6H6120.0°119.9°
C6C7H7119.8°119.9°
C8C7H7119.8°120.0°
C7C8H8120.2°120.1°
C9C10C11119.4°119.9°
C9C10H10120.3°120.0°
C10C9H9119.5°119.9°
C10C11C12120.1°119.9°
C10C11C14121.0°120.0°
C11C10H10120.3°120.1°
C12C11C14118.8°120.1°
C11C12C13120.3°119.9°
C11C12H12119.8°120.1°
C11C14C15128.7°126.3°
C11C14N18124.1°126.3°
C12C13H13120.2°120.0°
C13C12H12119.8°120.0°
C15C14N18107.3°107.4°
C14C15C16104.3°106.5°
C14C15C19140.2°135.0°
C14N18N17107.1°109.9°
C16C15C19115.5°118.5°
C15C16N17104.8°106.8°
C15C16N22126.3°118.6°
C15C19N20120.6°118.3°
C15C19N23117.8°120.8°
N17C16N22128.9°134.5°
C16N17N18116.5°109.5°
C16N17C24124.1°125.3°
C16N22C21111.2°120.7°
N18N17C24119.4°125.3°
N17C24C25106.3°109.5°
N17C24C29113.5°109.6°
N17C24H24111.0°109.5°
N20C19N23121.5°120.9°
C19N20C21118.1°121.1°
C19N23H23B109.5°120.0°
C19N23H23A109.5°120.0°
N20C21N22128.3°122.7°
N20C21H21115.8°118.6°
N22C21H21115.9°118.7°
C25C24C29106.0°109.3°
C24C25N26109.4°108.8°
C25C24H24110.0°109.5°
C24C25H25A109.5°109.6°
C24C25H25B109.5°109.5°
C24C29C28110.0°109.6°
C29C24H24109.8°109.5°
C24C29H29B109.3°109.4°
C24C29H29A109.4°109.4°
C25N26C27120.4°118.8°
C25N26C30120.6°120.6°
N26C25H25A109.5°109.6°
N26C25H25B109.5°109.6°
C27N26C30119.0°120.6°
N26C27C28115.3°108.8°
N26C27H27A108.0°109.5°
N26C27H27B108.0°109.7°
N26C30O31118.9°120.0°
N26C30C32120.5°120.0°
C27C28C29114.4°109.3°
C27C28H28B108.2°109.5°
C27C28H28A108.2°109.5°
C28C27H27A108.0°109.6°
C28C27H27B108.0°109.6°
C29C28H28B108.2°109.5°
C29C28H28A108.2°109.5°
C28C29H29B109.3°109.4°
C28C29H29A109.3°109.5°
O31C30C32120.6°120.0°
C30C32C33121.8°120.0°
C30C32H32119.1°120.0°
C32C33C34117.7°120.0°
C33C32H32119.1°120.0°
C32C33H33121.1°120.0°
C34C33H33121.1°120.0°
C33C34H34B109.5°109.5°
C33C34H34A109.5°109.5°
C33C34H34C109.5°109.5°
H28BC28H28A109.5°109.5°
H25AC25H25B109.5°109.7°
H27AC27H27B109.5°109.6°
H29BC29H29A109.5°109.5°
H34BC34H34A109.4°109.5°
H34BC34H34C109.5°109.5°
H34AC34H34C109.5°109.4°
H23BN23H23A109.5°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C1C9C13178.6°179.4°
C1O2C3C4134.2°178.0°
C1O2C3C847.4°1.5°
O2C1C9C10179.3°180.0°
O2C1C13C12179.4°179.7°
O2C1C13H130.6°0.6°
O2C1C9H90.7°0.6°
C9C1O2C3145.6°107.4°
C1C9C10H9180.0°179.4°
C1C9C10C110.0°0.0°
C9C1C13C120.9°0.8°
C1C9C10H10180.0°179.7°
C9C1C13H13179.2°180.0°
C13C1O2C335.9°73.1°
C13C1C9C100.7°0.6°
C1C13C12C110.4°0.5°
C1C13C12H13180.0°179.2°
C1C13C12H12179.6°179.4°
C13C1C9H9179.3°180.0°
O2C3C4C8178.4°179.4°
O2C3C4C5179.3°180.0°
O2C3C8C7179.2°180.0°
O2C3C4H40.7°0.3°
O2C3C8H80.8°0.2°
C3C4C5H4180.0°179.7°
C3C4C5C60.4°0.3°
C4C3C8C70.9°0.6°
C3C4C5H5179.6°179.7°
C4C3C8H8179.1°179.7°
C8C3C4C50.8°0.6°
C3C8C7C60.5°0.3°
C3C8C7H8180.0°179.8°
C8C3C4H4179.1°179.7°
C3C8C7H7179.5°179.7°
C4C5C6H5180.0°180.0°
C4C5C6C70.0°0.0°
C4C5C6H6180.0°180.0°
C5C6C7H6180.0°180.0°
C5C6C7C80.1°0.0°
C6C5C4H4179.6°180.0°
C5C6C7H7180.0°180.0°
C6C7C8H7180.0°180.0°
C7C6C5H5180.0°180.0°
C6C7C8H8179.5°179.9°
C8C7C6H6179.9°180.0°
C9C10C11H10180.0°179.7°
C9C10C11C120.5°0.3°
C9C10C11C14179.8°179.8°
C10C11C12C14179.3°179.9°
C10C11C12C130.3°0.0°
C10C11C14C1579.5°132.7°
C10C11C14N18101.6°47.4°
C10C11C12H12179.7°180.0°
C11C10C9H9180.0°179.4°
C11C12C13H12180.0°179.9°
C12C11C14C15101.2°47.2°
C12C11C14N1877.8°132.7°
C12C11C10H10179.5°180.0°
C11C12C13H13179.7°179.7°
C14C11C12C13179.7°179.9°
C11C14C15N18179.1°179.9°
C11C14C15C16179.2°179.9°
C11C14C15C190.7°0.2°
C11C14N18N17179.9°179.8°
C14C11C10H100.2°0.1°
C14C11C12H120.3°0.1°
C14C15C16C19179.9°179.8°
C14C15C16N170.5°0.3°
C14C15C16N22179.7°179.8°
C15C14N18N170.7°0.3°
C14C15C19N20179.7°179.7°
C14C15C19N230.2°0.3°
N18C14C15C160.1°0.0°
N18C14C15C19179.8°179.7°
C14N18N17C161.2°0.5°
C14N18N17C24179.3°180.0°
C15C16N17N22179.1°180.0°
C15C16N17N181.1°0.5°
C15C16N17C24179.1°180.0°
C16C15C19N200.4°0.0°
C16C15C19N23179.9°179.9°
C15C16N22C210.2°0.0°
C19C15C16N17179.5°180.0°
C19C15C16N220.4°0.0°
C15C19N20N23179.5°180.0°
C15C19N20C210.3°0.0°
C15C19N23H23B179.6°9.5°
C15C19N23H23A59.6°170.6°
C16N17N18C24178.1°179.5°
N17C16N22C21179.2°179.9°
C16N17C24C25138.3°120.0°
C16N17C24C29105.5°120.1°
C16N17C24H2418.8°0.0°
N22C16N17N18179.7°179.6°
N22C16N17C241.8°0.1°
C16N22C21N200.1°0.1°
C16N22C21H21179.8°180.0°
N18N17C24C2539.6°60.5°
N18N17C24C2976.6°59.4°
N18N17C24H24159.1°179.5°
N17C24C25C29121.1°120.0°
N17C24C25H24120.3°120.1°
N17C24C29H24125.0°120.1°
N17C24C25N26172.1°174.6°
N17C24C29C28178.5°178.7°
N17C24C25H25A52.1°65.6°
N17C24C25H25B67.9°54.9°
N17C24C29H29B58.5°61.3°
N17C24C29H29A61.4°58.7°
C19N20C21N220.2°0.0°
C19N20C21H21179.8°179.9°
N20C19N23H23B0.0°170.6°
N20C19N23H23A120.0°9.3°
N23C19N20C21179.8°179.9°
C19N23H23BH23A120.0°179.9°
N20C21N22H21180.0°179.9°
C25C24C29H24118.7°119.9°
C24C25N26H25A120.0°119.8°
C24C25N26H25B120.0°119.7°
C24C25N26C2753.3°53.6°
C24C25N26C30125.9°126.4°
C25C24C29C2862.2°61.3°
C24C25H25AH25B120.0°120.3°
C25C24C29H29B57.8°58.7°
C25C24C29H29A177.7°178.6°
C29C24C25N2666.8°54.6°
C24C29C28C2742.7°61.3°
C24C29C28H29B120.0°120.0°
C24C29C28H29A120.1°120.0°
C24C29C28H28B78.0°58.6°
C24C29C28H28A163.5°178.6°
C29C24C25H25A173.2°174.4°
C29C24C25H25B53.2°65.2°
C24C29H29BH29A119.8°119.9°
C25N26C27C30179.2°180.0°
C25N26C27C2831.9°53.6°
C25N26C30O31179.6°4.4°
C25N26C30C321.3°175.5°
N26C25C24H2451.8°65.3°
N26C25H25AH25B120.1°120.4°
C25N26C27H27A152.8°66.2°
C25N26C27H27B88.9°173.5°
N26C27C28H27A120.8°119.7°
N26C27C28H27B120.9°120.0°
N26C27C28C2925.7°54.6°
C27N26C30O310.4°175.6°
C27N26C30C32179.5°4.5°
N26C27C28H28B95.0°65.3°
N26C27C28H28A146.4°174.6°
C27N26C25H25A173.2°173.4°
C27N26C25H25B66.7°66.2°
N26C27H27AH27B117.3°120.4°
C30N26C27C28147.3°126.4°
N26C30O31C32179.1°180.0°
N26C30C32C33142.4°174.3°
C30N26C25H25A5.9°6.6°
C30N26C25H25B114.1°113.9°
C30N26C27H27A26.4°113.9°
C30N26C27H27B91.9°6.5°
N26C30C32H3237.6°5.8°
C27C28C29H28B120.7°119.9°
C27C28C29H28A120.7°120.0°
C27C28H28BH28A117.8°120.1°
C28C27H27AH27B117.3°120.3°
C27C28C29H29B77.3°58.7°
C27C28C29H29A162.8°178.7°
C28C29C24H2456.5°58.6°
C29C28H28BH28A117.7°120.1°
C29C28C27H27A146.5°65.2°
C29C28C27H27B95.2°174.5°
C28C29H29BH29A119.8°120.0°
O31C30C32C3338.5°5.8°
O31C30C32H32141.5°174.2°
C30C32C33H32180.0°179.9°
C30C32C33C34180.0°180.0°
C30C32C33H330.0°0.0°
C32C33C34H33180.0°180.0°
C32C33C34H34B180.0°60.0°
C32C33C34H34A60.0°60.0°
C32C33C34H34C60.0°180.0°
C34C33C32H320.0°0.0°
C33C34H34BH34A120.0°120.0°
C33C34H34BH34C120.0°120.0°
C33C34H34AH34C120.0°120.0°
H4C4C5H50.4°0.0°
H5C5C6H60.0°0.0°
H6C6C7H70.1°0.0°
H7C7C8H80.5°0.0°
H10C10C9H90.0°0.3°
H13C13C12H120.3°0.2°
H24C24C25H25A68.2°54.5°
H24C24C25H25B171.8°174.9°
H24C24C29H29B176.6°178.6°
H24C24C29H29A63.6°61.5°
H28BC28C27H27A25.8°174.9°
H28BC28C27H27B144.1°54.6°
H28BC28C29H29B162.0°178.6°
H28BC28C29H29A42.1°61.4°
H28AC28C27H27A92.8°54.9°
H28AC28C27H27B25.5°65.4°
H28AC28C29H29B43.4°61.3°
H28AC28C29H29A76.4°58.6°
H32C32C33H33180.0°179.9°
H33C33C34H34B0.0°120.0°
H33C33C34H34A120.0°120.0°
H33C33C34H34C120.0°0.0°
H34BC34H34AH34C120.0°120.0°

259351

PDB entries from 2026-09-09

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