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A1BI1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2sing1.36Å1.42Å
O1C29sing1.36Å1.42Å
C2C3doub1.39Å1.39ÅAromatic
C2C7sing1.39Å1.40ÅAromatic
C3C4sing1.38Å1.39ÅAromatic
C4C5doub1.39Å1.39ÅAromatic
C5C6sing1.39Å1.39ÅAromatic
C5C8sing1.48Å1.54Å
C6C7doub1.38Å1.40ÅAromatic
C8C9sing1.46Å1.45ÅAromatic
C8N12doub1.31Å1.34ÅAromatic
C9C10doub1.41Å1.42ÅAromatic
C9C13sing1.40Å1.38ÅAromatic
C10N11sing1.36Å1.30ÅAromatic
C10N16sing1.33Å1.33ÅAromatic
N11N12sing1.40Å1.31ÅAromatic
N11C17sing1.46Å1.47Å
C13N14doub1.33Å1.33ÅAromatic
C13N18sing1.38Å1.46Å
N14C15sing1.32Å1.34ÅAromatic
C15N16doub1.31Å1.35ÅAromatic
C17C19sing1.53Å1.54Å
C17C23sing1.53Å1.54Å
C19C20sing1.53Å1.56Å
C20C21sing1.53Å1.54Å
C21N22sing1.47Å1.45Å
N22C23sing1.47Å1.46Å
N22C24sing1.35Å1.49Å
C24C25sing1.51Å1.55Å
C24O26doub1.21Å1.19Å
C25C27sing1.53Å1.54Å
C25C28sing1.53Å1.54Å
C27C28sing1.53Å1.53Å
C29C30doub1.39Å1.39ÅAromatic
C29C34sing1.39Å1.40ÅAromatic
C30C31sing1.38Å1.39ÅAromatic
C31C32doub1.38Å1.39ÅAromatic
C32C33sing1.38Å1.39ÅAromatic
C33C34doub1.38Å1.40ÅAromatic
C4H4sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C17H17sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C20H20Bsing1.09Å1.10Å
C21H21Bsing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C19H19Bsing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C23H23Bsing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C27H27Bsing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C3H3sing1.08Å1.08Å
C30H30sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
C32H32sing1.08Å1.08Å
C33H33sing1.08Å1.08Å
C34H34sing1.08Å1.08Å
N18H18Asing0.97Å1.00Å
N18H18Bsing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2O1C29116.3°118.0°
O1C2C3116.3°120.0°
O1C2C7124.0°119.9°
O1C29C30118.3°120.1°
O1C29C34121.7°120.0°
C3C2C7119.7°120.1°
C2C3C4120.3°120.1°
C2C3H3119.9°119.9°
C2C7C6119.9°120.1°
C2C7H7120.0°119.9°
C3C4C5119.9°119.9°
C3C4H4120.1°120.0°
C4C3H3119.8°120.0°
C4C5C6120.7°119.9°
C4C5C8117.5°120.0°
C5C4H4120.0°120.1°
C6C5C8121.9°120.1°
C5C6C7119.5°119.9°
C5C6H6120.3°120.0°
C5C8C9125.9°126.3°
C5C8N12126.3°126.3°
C7C6H6120.2°120.1°
C6C7H7120.0°120.0°
C9C8N12107.9°107.4°
C8C9C10103.7°106.4°
C8C9C13140.1°135.0°
C8N12N11107.2°109.9°
C10C9C13116.2°118.6°
C9C10N11106.2°106.9°
C9C10N16125.9°118.6°
C9C13N14119.8°118.4°
C9C13N18119.8°120.8°
N11C10N16127.9°134.5°
C10N11N12115.0°109.4°
C10N11C17122.3°125.3°
C10N16C15111.0°120.7°
N12N11C17122.6°125.3°
N11C17C19110.0°109.5°
N11C17C23110.7°109.5°
N11C17H17109.6°109.5°
N14C13N18120.4°120.8°
C13N14C15118.3°121.1°
C13N18H18A109.5°120.0°
C13N18H18B109.5°120.0°
N14C15N16128.8°122.7°
N14C15H15115.6°118.6°
N16C15H15115.6°118.7°
C19C17C23109.3°109.3°
C17C19C20115.9°109.5°
C19C17H17108.6°109.4°
C17C19H19A107.8°109.4°
C17C19H19B107.8°109.5°
C17C23N22108.1°108.8°
C23C17H17108.6°109.5°
C17C23H23A109.8°109.6°
C17C23H23B109.8°109.6°
C19C20C21115.2°109.3°
C19C20H20A108.0°109.5°
C19C20H20B108.0°109.5°
C20C19H19A107.8°109.4°
C20C19H19B107.8°109.5°
C20C21N22113.1°108.8°
C21C20H20A108.0°109.5°
C21C20H20B108.0°109.5°
C20C21H21B108.6°109.6°
C20C21H21A108.5°109.6°
C21N22C23118.1°118.7°
C21N22C24121.9°120.6°
N22C21H21B108.5°109.6°
N22C21H21A108.6°109.6°
C23N22C24120.0°120.7°
N22C23H23A109.8°109.6°
N22C23H23B109.9°109.7°
N22C24C25122.0°120.0°
N22C24O26119.1°120.0°
C25C24O26118.9°120.0°
C24C25C27116.1°117.5°
C24C25C28115.9°117.5°
C24C25H25117.3°115.6°
C27C25C2859.8°60.0°
C25C27C2860.1°60.0°
C27C25H25117.6°117.5°
C25C27H27B120.0°117.5°
C25C27H27A120.0°117.5°
C25C28C2760.1°60.0°
C25C28H28B120.0°117.5°
C25C28H28A120.0°117.5°
C28C25H25117.6°117.5°
C27C28H28B120.0°117.6°
C27C28H28A120.0°117.4°
C28C27H27B120.0°117.5°
C28C27H27A120.0°117.5°
C30C29C34120.0°119.9°
C29C30C31120.2°119.9°
C29C30H30119.9°120.0°
C29C34C33119.5°119.9°
C29C34H34120.2°120.0°
C30C31C32120.1°120.1°
C31C30H30119.9°120.0°
C30C31H31119.9°119.9°
C31C32C33120.2°120.2°
C32C31H31119.9°120.0°
C31C32H32119.9°119.9°
C32C33C34120.0°120.1°
C33C32H32119.9°119.9°
C32C33H33120.0°120.0°
C34C33H33120.0°119.9°
C33C34H34120.3°120.0°
H20AC20H20B109.5°109.5°
H21BC21H21A109.5°109.7°
H28BC28H28A109.5°115.5°
H19AC19H19B109.5°109.5°
H23AC23H23B109.5°109.6°
H27BC27H27A109.5°115.6°
H18AN18H18B109.5°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2C3C7179.5°179.5°
O1C2C3C4179.9°180.0°
O1C2C7C6180.0°179.7°
C2O1C29C30122.8°3.5°
C2O1C29C3458.9°176.3°
O1C2C7H70.0°0.2°
O1C2C3H30.2°0.5°
C29O1C2C3168.5°79.1°
C29O1C2C712.0°101.4°
O1C29C30C34178.4°179.8°
O1C29C30C31179.2°179.7°
O1C29C34C33179.3°179.7°
O1C29C30H300.8°0.3°
O1C29C34H340.7°0.2°
C2C3C4H3180.0°179.5°
C2C3C4C50.0°0.5°
C3C2C7C60.5°0.2°
C2C3C4H4179.9°179.7°
C3C2C7H7179.5°179.7°
C7C2C3C40.3°0.5°
C2C7C6C50.3°0.0°
C2C7C6H7180.0°179.9°
C2C7C6H6179.7°180.0°
C7C2C3H3179.7°180.0°
C3C4C5H4180.0°179.7°
C3C4C5C60.1°0.3°
C3C4C5C8179.8°179.8°
C4C5C6C8179.7°180.0°
C4C5C6C70.0°0.0°
C4C5C8C982.8°44.4°
C4C5C8N1295.7°135.3°
C4C5C6H6180.0°180.0°
C5C4C3H3180.0°180.0°
C5C6C7H6180.0°179.9°
C6C5C8C997.5°135.6°
C6C5C8N1284.0°44.7°
C6C5C4H4179.9°180.0°
C5C6C7H7179.7°180.0°
C8C5C6C7179.7°179.9°
C5C8C9N12178.8°179.8°
C5C8C9C10179.1°180.0°
C5C8C9C131.1°0.0°
C5C8N12N11179.5°180.0°
C8C5C4H40.2°0.0°
C8C5C6H60.4°0.0°
C8C9C10C13179.9°180.0°
C8C9C10N110.1°0.2°
C8C9C10N16179.6°179.8°
C9C8N12N110.7°0.2°
C8C9C13N14179.6°180.0°
C8C9C13N180.3°0.0°
N12C8C9C100.4°0.2°
N12C8C9C13179.8°179.7°
C8N12N11C100.8°0.1°
C8N12N11C17179.9°179.8°
C9C10N11N16179.5°180.0°
C9C10N11N120.6°0.0°
C9C10N11C17179.9°179.9°
C10C9C13N140.2°0.0°
C10C9C13N18179.9°180.0°
C9C10N16C150.2°0.4°
C13C9C10N11179.8°179.8°
C13C9C10N160.2°0.2°
C9C13N14N18179.9°179.9°
C9C13N14C150.1°0.1°
C9C13N18H18A179.9°167.9°
C9C13N18H18B60.1°12.0°
C10N11N12C17179.3°179.9°
N11C10N16C15179.6°179.6°
C10N11C17C19151.0°120.0°
C10N11C17C2388.1°120.1°
C10N11C17H1731.7°0.0°
N16C10N11N12179.9°179.9°
N16C10N11C170.6°0.0°
C10N16C15N140.0°0.5°
C10N16C15H15180.0°179.9°
N12N11C17C1928.3°60.1°
N12N11C17C2392.6°59.7°
N12N11C17H17147.6°179.9°
N11C17C19C23121.7°120.0°
N11C17C19H17119.9°120.0°
N11C17C23H17120.4°120.1°
N11C17C19C20168.8°178.7°
N11C17C23N22179.7°174.6°
N11C17C19H19A47.9°61.4°
N11C17C19H19B70.2°58.6°
N11C17C23H23A59.9°65.7°
N11C17C23H23B60.5°54.7°
C13N14C15N160.0°0.3°
C13N14C15H15179.9°179.9°
N14C13N18H18A0.0°12.1°
N14C13N18H18B120.0°167.9°
N18C13N14C15180.0°180.0°
C13N18H18AH18B120.0°179.9°
N14C15N16H15180.0°179.6°
C19C17C23H17118.4°119.9°
C17C19C20H19A120.9°120.0°
C17C19C20H19B120.9°120.1°
C17C19C20C2133.0°61.3°
C19C17C23N2259.1°54.6°
C17C19C20H20A153.8°58.7°
C17C19C20H20B87.8°178.7°
C17C19H19AH19B117.1°120.0°
C19C17C23H23A178.8°174.4°
C19C17C23H23B60.7°65.3°
C23C17C19C2047.2°61.3°
C17C23N22C2162.9°53.6°
C17C23N22H23A119.8°119.8°
C17C23N22H23B119.8°119.9°
C17C23N22C24116.7°126.3°
C23C17C19H19A73.8°58.6°
C23C17C19H19B168.1°178.6°
C17C23H23AH23B120.6°120.3°
C19C20C21H20A120.9°119.9°
C19C20C21H20B120.8°120.0°
C19C20C21N2230.4°54.6°
C20C19C17H1771.2°58.6°
C19C20H20AH20B117.4°120.1°
C19C20C21H21B90.1°65.2°
C19C20C21H21A151.0°174.4°
C20C19H19AH19B117.1°120.0°
C20C21N22H21B120.6°119.8°
C20C21N22H21A120.5°119.8°
C20C21N22C2347.7°53.6°
C20C21N22C24131.9°126.4°
C21C20H20AH20B117.4°120.1°
C20C21H21BH21A118.3°120.3°
C21C20C19H19A88.0°58.7°
C21C20C19H19B153.9°178.6°
C21N22C23C24179.6°179.9°
C21N22C24C250.1°0.0°
C21N22C24O26179.9°180.0°
N22C21C20H20A151.3°65.3°
N22C21C20H20B90.4°174.6°
N22C21H21BH21A118.3°120.4°
C21N22C23H23A177.3°173.4°
C21N22C23H23B56.9°66.3°
C23N22C24C25179.7°180.0°
C23N22C24O260.3°0.0°
N22C23C17H1759.3°65.3°
C23N22C21H21B72.9°66.2°
C23N22C21H21A168.3°173.4°
N22C23H23AH23B120.7°120.4°
N22C24C25O26180.0°180.0°
N22C24C25C27111.0°180.0°
N22C24C25C28178.4°111.4°
C24N22C21H21B107.5°113.9°
C24N22C21H21A11.4°6.6°
C24N22C23H23A3.1°6.6°
C24N22C23H23B123.5°113.8°
N22C24C25H2535.5°34.3°
C24C25C27C28106.1°107.5°
C24C25C27H25146.4°145.0°
C24C25C28H25146.0°145.0°
C24C25C28H28B144.0°145.0°
C24C25C28H28A3.0°0.0°
C24C25C27H27B3.3°145.0°
C24C25C27H27A144.3°0.0°
O26C24C25C2769.0°0.0°
O26C24C25C281.6°68.6°
O26C24C25H25144.5°145.7°
C27C25C28H25107.5°107.5°
C25C27C28H27B109.5°107.5°
C25C27C28H27A109.5°107.5°
C27C25C28H28B109.5°107.6°
C27C25C28H28A109.5°107.4°
C25C27H27BH27A144.7°145.7°
C25C28H28BH28A144.7°145.7°
C27C28H28BH28A144.7°145.6°
C28C27H27BH27A144.7°145.8°
C29C30C31H30180.0°180.0°
C29C30C31C320.3°0.0°
C30C29C34C330.9°0.1°
C29C30C31H31179.7°180.0°
C30C29C34H34179.1°179.9°
C34C29C30C310.8°0.1°
C29C34C33C320.6°0.0°
C29C34C33H34180.0°179.9°
C34C29C30H30179.2°180.0°
C29C34C33H33179.3°180.0°
C30C31C32H31180.0°179.9°
C30C31C32C330.0°0.0°
C30C31C32H32180.0°180.0°
C31C32C33H32180.0°180.0°
C31C32C33C340.2°0.0°
C32C31C30H30179.7°180.0°
C31C32C33H33179.8°180.0°
C32C33C34H33180.0°179.9°
C33C32C31H31180.0°180.0°
C32C33C34H34179.3°179.9°
C34C33C32H32179.8°180.0°
H4C4C3H30.0°0.3°
H6C6C7H70.3°0.1°
H17C17C19H19A167.8°178.6°
H17C17C19H19B49.7°61.4°
H17C17C23H23A60.5°54.5°
H17C17C23H23B179.1°174.8°
H20AC20C21H21B30.7°174.9°
H20AC20C21H21A88.2°54.5°
H20AC20C19H19A32.9°178.6°
H20AC20C19H19B85.2°61.4°
H20BC20C21H21B149.0°54.8°
H20BC20C21H21A30.2°65.6°
H20BC20C19H19A151.2°61.4°
H20BC20C19H19B33.1°58.6°
H28BC28C25H252.0°0.0°
H28BC28C27H27B141.1°0.0°
H28BC28C27H27A0.0°145.0°
H28AC28C25H25143.0°145.0°
H28AC28C27H27B0.0°145.0°
H28AC28C27H27A141.0°0.1°
H25C25C27H27B143.0°0.0°
H25C25C27H27A2.1°145.0°
H30C30C31H310.3°0.0°
H31C31C32H320.0°0.0°
H32C32C33H330.2°0.0°
H33C33C34H340.7°0.1°

248942

PDB entries from 2026-02-11

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