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A1A2O

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C2C3sing1.53Å1.52Å
C2C4sing1.53Å1.53Å
C4N5sing1.47Å1.45Å
N5C6sing1.37Å1.37ÅAromatic
C6C7doub1.39Å1.39ÅAromatic
N5N8sing1.40Å1.37ÅAromatic
N8C9doub1.30Å1.31ÅAromatic
C9C10sing1.42Å1.42ÅAromatic
C10C11doub1.40Å1.39ÅAromatic
C11C12sing1.36Å1.39ÅAromatic
C12C13sing1.51Å1.52Å
C13C14sing1.51Å1.52Å
C14C15doub1.38Å1.39ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
C16C17doub1.39Å1.37ÅAromatic
C17F18sing1.35Å1.36Å
C17C19sing1.38Å1.37ÅAromatic
C14C20sing1.39Å1.38ÅAromatic
C20F21sing1.35Å1.35Å
C12C22doub1.40Å1.41ÅAromatic
C22C23sing1.48Å1.50Å
C23N24sing1.35Å1.33Å
N24C25sing1.47Å1.46Å
C25C26sing1.53Å1.52Å
C26N27sing1.47Å1.50Å
N27C28sing1.47Å1.49Å
N27C29sing1.47Å1.49Å
C23O30doub1.22Å1.23Å
C10C6sing1.41Å1.40ÅAromatic
C20C19doub1.38Å1.37ÅAromatic
C22C7sing1.39Å1.40ÅAromatic
C13H13Bsing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C1H1Csing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C3H3Csing1.09Å1.10Å
C3H3Bsing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C4H4Bsing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C7H7sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
C28H28Csing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
C29H29Asing1.09Å1.10Å
C29H29Bsing1.09Å1.10Å
C29H29Csing1.09Å1.10Å
N24H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3112.0°109.5°
C1C2C4112.9°109.5°
C2C1H1C109.5°109.5°
C2C1H1A109.5°109.5°
C2C1H1B109.4°109.5°
C1C2H2106.8°109.5°
C3C2C4111.3°109.5°
C3C2H2106.8°109.5°
C2C3H3C109.5°109.5°
C2C3H3B109.5°109.5°
C2C3H3A109.4°109.5°
C2C4N5121.1°109.4°
C4C2H2106.7°109.4°
C2C4H4B106.5°109.5°
C2C4H4A106.5°109.4°
C4N5C6130.7°125.9°
C4N5N8117.9°126.0°
N5C4H4B106.5°109.5°
N5C4H4A106.5°109.5°
N5C6C7131.8°133.7°
C6N5N8111.3°108.1°
N5C6C10106.5°106.6°
C7C6C10121.7°119.7°
C6C7C22118.5°119.6°
C6C7H7120.8°120.2°
N5N8C9106.2°109.8°
N8C9C10111.5°108.7°
N8C9H9124.2°125.7°
C9C10C11136.3°133.4°
C9C10C6104.5°106.8°
C10C9H9124.3°125.6°
C10C11C12120.4°120.0°
C11C10C6119.2°119.8°
C10C11H11119.8°120.0°
C11C12C13119.3°119.7°
C11C12C22119.4°120.6°
C12C11H11119.8°120.0°
C12C13C14111.8°109.5°
C13C12C22121.3°119.7°
C12C13H13B108.9°109.5°
C12C13H13A108.9°109.4°
C13C14C15121.3°120.0°
C13C14C20121.6°120.0°
C14C13H13B108.9°109.5°
C14C13H13A108.9°109.5°
C14C15C16121.2°120.1°
C15C14C20117.1°120.0°
C14C15H15119.4°120.0°
C15C16C17118.2°120.0°
C16C15H15119.4°120.0°
C15C16H16120.9°120.0°
C16C17F18118.6°120.0°
C16C17C19123.2°120.0°
C17C16H16120.9°120.0°
F18C17C19118.2°120.0°
C17C19C20116.6°120.0°
C17C19H19121.7°120.0°
C14C20F21117.8°120.0°
C14C20C19123.6°120.0°
F21C20C19118.6°120.1°
C12C22C23122.3°119.9°
C12C22C7120.7°120.3°
C22C23N24117.9°120.0°
C22C23O30120.3°119.9°
C23C22C7116.7°119.8°
C23N24C25121.5°120.0°
N24C23O30121.8°120.0°
C23N24H24119.3°120.0°
N24C25C26114.4°109.5°
N24C25H25A108.2°109.5°
N24C25H25B108.2°109.5°
C25N24H24119.3°120.0°
C25C26N27113.6°109.5°
C26C25H25A108.2°109.5°
C26C25H25B108.3°109.5°
C25C26H26A108.4°109.5°
C25C26H26B108.5°109.5°
C26N27C28112.7°111.0°
C26N27C29112.2°111.0°
N27C26H26A108.4°109.5°
N27C26H26B108.4°109.5°
C28N27C29110.7°111.0°
N27C28H28C109.5°109.4°
N27C28H28A109.5°109.5°
N27C28H28B109.5°109.5°
N27C29H29A109.5°109.5°
N27C29H29B109.5°109.5°
N27C29H29C109.5°109.5°
C20C19H19121.7°120.0°
C22C7H7120.7°120.2°
H13BC13H13A109.5°109.5°
H1CC1H1A109.5°109.4°
H1CC1H1B109.5°109.5°
H1AC1H1B109.5°109.5°
H3CC3H3B109.5°109.4°
H3CC3H3A109.5°109.5°
H3BC3H3A109.5°109.5°
H4BC4H4A109.5°109.5°
H25AC25H25B109.5°109.4°
H26AC26H26B109.5°109.5°
H28CC28H28A109.5°109.4°
H28CC28H28B109.5°109.5°
H28AC28H28B109.4°109.5°
H29AC29H29B109.5°109.5°
H29AC29H29C109.4°109.5°
H29BC29H29C109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C4127.4°120.0°
C1C2C3H2116.5°120.0°
C1C2C4H2117.0°120.0°
C1C2C4N524.4°65.0°
C2C1H1CH1A120.0°120.0°
C2C1H1CH1B120.0°120.1°
C2C1H1AH1B120.0°120.1°
C1C2C3H3C180.0°60.0°
C1C2C3H3B60.0°180.0°
C1C2C3H3A60.0°60.0°
C1C2C4H4B146.0°175.0°
C1C2C4H4A97.2°55.0°
C3C2C4H2116.1°120.0°
C3C2C4N5102.5°175.0°
C3C2C1H1C180.0°179.9°
C3C2C1H1A60.0°60.0°
C3C2C1H1B60.0°60.0°
C2C3H3CH3B120.0°120.0°
C2C3H3CH3A120.0°120.0°
C2C3H3BH3A120.0°120.0°
C3C2C4H4B19.1°55.0°
C3C2C4H4A135.9°65.0°
C2C4N5H4B121.6°120.0°
C2C4N5H4A121.6°120.0°
C2C4N5C648.6°90.1°
C2C4N5N8136.8°89.7°
C4C2C1H1C53.5°59.9°
C4C2C1H1A173.5°60.0°
C4C2C1H1B66.5°180.0°
C4C2C3H3C52.6°60.0°
C4C2C3H3B67.4°59.9°
C4C2C3H3A172.6°179.9°
C2C4H4BH4A114.8°120.0°
C4N5C6N8174.8°179.8°
C4N5C6C76.8°0.1°
C4N5N8C9175.4°179.8°
C4N5C6C10174.6°179.9°
N5C4C2H2141.4°55.0°
N5C4H4BH4A114.8°120.0°
N5C6C7C10178.4°179.7°
C6N5N8C90.2°0.0°
N5C6C10C90.1°0.0°
N5C6C10C11179.0°180.0°
N5C6C7C22178.1°180.0°
C6N5C4H4B73.0°30.0°
C6N5C4H4A170.3°150.0°
N5C6C7H71.9°0.1°
C7C6N5N8178.4°179.7°
C7C6C10C9178.6°179.8°
C7C6C10C110.3°0.2°
C6C7C22C120.8°0.0°
C6C7C22C23173.1°180.0°
C6C7C22H7180.0°179.9°
N5N8C9C100.1°0.0°
N8N5C6C100.2°0.0°
N8N5C4H4B101.5°150.2°
N8N5C4H4A15.2°30.2°
N5N8C9H9179.9°180.0°
N8C9C10H9180.0°180.0°
N8C9C10C11178.6°180.0°
N8C9C10C60.0°0.0°
C9C10C11C6178.4°180.0°
C9C10C11C12178.2°179.9°
C9C10C11H111.8°0.1°
C10C11C12H11180.0°179.8°
C10C11C12C13179.3°180.0°
C10C11C12C220.3°0.3°
C11C10C9H91.4°0.0°
C11C12C13C22179.6°179.7°
C11C12C13C149.9°5.9°
C11C12C22C23172.8°179.7°
C12C11C10C60.3°0.1°
C11C12C22C70.8°0.3°
C11C12C13H13B130.2°114.1°
C11C12C13H13A110.4°125.9°
C12C13C14H13B120.4°120.0°
C12C13C14H13A120.4°120.0°
C12C13C14C15104.8°98.0°
C12C13C14C2072.5°81.8°
C13C12C22C237.6°0.1°
C13C12C22C7178.8°179.9°
C12C13H13BH13A119.0°120.0°
C13C12C11H110.6°0.1°
C13C14C15C20177.5°179.7°
C13C14C15C16177.4°180.0°
C13C14C20F211.8°0.3°
C14C13C12C22170.5°174.4°
C13C14C20C19177.4°180.0°
C14C13H13BH13A118.9°120.0°
C13C14C15H152.6°0.0°
C14C15C16H15180.0°179.9°
C14C15C16C170.1°0.1°
C15C14C20F21179.2°180.0°
C15C14C20C190.1°0.3°
C15C14C13H13B134.8°22.0°
C15C14C13H13A15.5°142.0°
C14C15C16H16180.0°179.9°
C15C16C17H16180.0°179.9°
C15C16C17F18179.5°180.0°
C15C16C17C190.0°0.3°
C16C15C14C200.1°0.2°
C16C17F18C19179.6°179.7°
C16C17C19C200.0°0.2°
C17C16C15H15180.0°180.0°
C16C17C19H19180.0°179.6°
F18C17C19C20179.5°180.0°
F18C17C16H160.5°0.1°
F18C17C19H190.5°0.1°
C17C19C20C140.0°0.0°
C17C19C20F21179.2°179.7°
C17C19C20H19180.0°179.9°
C19C17C16H16180.0°179.8°
C14C20F21C19179.2°179.7°
C20C14C13H13B47.8°158.2°
C20C14C13H13A167.1°38.2°
C20C14C15H15179.9°179.7°
C14C20C19H19180.0°179.9°
F21C20C19H190.8°0.4°
C12C22C23C7173.9°180.0°
C12C22C23N2471.0°174.6°
C12C22C23O30108.6°5.4°
C22C12C13H13B50.2°65.6°
C22C12C13H13A69.2°54.4°
C12C22C7H7179.1°180.0°
C22C12C11H11179.7°179.8°
C22C23N24O30179.6°180.0°
C22C23N24C25179.1°180.0°
C23C22C7H76.9°0.0°
C22C23N24H240.9°0.0°
C23N24C25H24180.0°180.0°
C23N24C25C26177.2°180.0°
N24C23C22C7115.1°5.4°
C23N24C25H25A56.4°60.0°
C23N24C25H25B62.1°60.0°
N24C25C26H25A120.7°120.0°
N24C25C26H25B120.7°120.0°
N24C25C26N2798.1°180.0°
C25N24C23O301.3°0.0°
N24C25H25AH25B117.7°120.0°
N24C25C26H26A22.5°60.0°
N24C25C26H26B141.3°60.0°
C25C26N27H26A120.6°120.0°
C25C26N27H26B120.6°120.0°
C25C26N27C2859.3°66.0°
C25C26N27C29174.9°170.0°
C26C25H25AH25B117.8°120.0°
C25C26H26AH26B118.2°120.0°
C26C25N24H242.9°0.0°
C26N27C28C29126.6°124.0°
N27C26C25H25A141.2°60.0°
N27C26C25H25B22.6°60.0°
N27C26H26AH26B118.1°120.0°
C26N27C28H28C180.0°60.0°
C26N27C28H28A60.0°180.0°
C26N27C28H28B60.0°60.0°
C26N27C29H29A180.0°60.0°
C26N27C29H29B60.0°180.0°
C26N27C29H29C60.0°60.0°
C28N27C26H26A61.3°54.0°
C28N27C26H26B179.9°174.0°
N27C28H28CH28A120.0°119.9°
N27C28H28CH28B120.0°120.0°
N27C28H28AH28B120.0°120.0°
C28N27C29H29A53.1°176.0°
C28N27C29H29B66.9°56.0°
C28N27C29H29C173.1°63.9°
C29N27C26H26A64.5°70.0°
C29N27C26H26B54.3°50.0°
C29N27C28H28C53.4°63.9°
C29N27C28H28A173.4°56.0°
C29N27C28H28B66.6°176.1°
N27C29H29AH29B120.0°120.0°
N27C29H29AH29C120.0°120.0°
N27C29H29BH29C120.0°120.0°
O30C23C22C765.3°174.6°
O30C23N24H24178.7°180.0°
C10C6C7C220.3°0.3°
C10C6C7H7179.7°179.8°
C6C10C11H11179.7°179.9°
C6C10C9H9180.0°179.9°
H15C15C16H160.0°0.1°
H1CC1H1AH1B120.0°119.9°
H1CC1C2H263.5°60.0°
H1AC1C2H256.5°180.0°
H1BC1C2H2176.5°60.0°
H2C2C3H3C63.5°180.0°
H2C2C3H3B176.5°60.0°
H2C2C3H3A56.5°60.0°
H2C2C4H4B97.0°65.0°
H2C2C4H4A19.8°175.0°
H3CC3H3BH3A120.0°120.0°
H25AC25C26H26A98.2°60.0°
H25AC25C26H26B20.6°180.0°
H25AC25N24H24123.6°120.0°
H25BC25C26H26A143.2°180.0°
H25BC25C26H26B98.0°60.0°
H25BC25N24H24117.9°120.0°
H28CC28H28AH28B120.0°120.1°
H29AC29H29BH29C120.0°120.0°

251174

PDB entries from 2026-03-25

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