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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N9C10sing1.47Å1.42Å
N9C7sing1.35Å1.35Å
C10N11sing1.48Å1.47Å
C13C14doub1.38Å1.39ÅAromatic
C13C12sing1.39Å1.39ÅAromatic
C7O8doub1.21Å1.20Å
C7C6sing1.51Å1.52Å
C14C15sing1.38Å1.38ÅAromatic
N11C12sing1.40Å1.41Å
N11C6sing1.48Å1.49Å
C12C17doub1.39Å1.39ÅAromatic
C1C6sing1.53Å1.45Å
C1C2sing1.53Å1.53Å
C6C5sing1.53Å1.44Å
C15C16doub1.38Å1.39ÅAromatic
C2N3sing1.47Å1.43Å
C17C16sing1.38Å1.39ÅAromatic
C5C4sing1.53Å1.53Å
N3C4sing1.47Å1.44Å
N3C18sing1.47Å1.21Å
C18C19sing1.53Å1.53Å
C19C20sing1.53Å1.53Å
C20C21sing1.51Å1.53Å
O22C21doub1.21Å1.19Å
C21C23sing1.47Å1.53Å
C23C28doub1.40Å1.39ÅAromatic
C23C24sing1.40Å1.39ÅAromatic
C28C27sing1.38Å1.39ÅAromatic
C24C25doub1.38Å1.38ÅAromatic
C27C26doub1.39Å1.39ÅAromatic
C25C26sing1.39Å1.39ÅAromatic
C26F29sing1.35Å1.37Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C13H10sing1.08Å1.08Å
C14H11sing1.08Å1.08Å
C15H12sing1.08Å1.08Å
C16H13sing1.08Å1.08Å
C17H14sing1.08Å1.08Å
C18H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C24H21sing1.08Å1.08Å
C25H22sing1.08Å1.08Å
C27H23sing1.08Å1.08Å
C28H24sing1.08Å1.08Å
C10H26sing1.09Å1.10Å
N9H25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C10N9C7113.2°109.6°
N9C10N11104.6°106.2°
N9C10H9110.7°110.1°
N9C10H26110.7°110.1°
C10N9H25123.4°125.2°
N9C7O8122.7°125.8°
N9C7C6109.8°108.3°
C7N9H25123.4°125.2°
C10N11C12116.8°111.0°
C10N11C6110.8°103.1°
N11C10H9110.7°110.2°
N11C10H26110.7°110.1°
C14C13C12120.6°120.0°
C13C14C15120.0°120.1°
C14C13H10119.7°120.0°
C13C14H11120.0°120.0°
C13C12N11118.8°120.1°
C13C12C17118.9°119.8°
C12C13H10119.7°120.0°
O8C7C6127.5°125.9°
C7C6N11101.6°105.3°
C7C6C1108.4°110.4°
C7C6C5111.2°110.4°
C14C15C16119.8°120.1°
C15C14H11120.0°119.9°
C14C15H12120.1°119.9°
C12N11C6132.5°111.0°
N11C12C17122.3°120.1°
N11C6C1108.6°110.1°
N11C6C5113.1°110.1°
C12C17C16120.6°119.9°
C12C17H14119.7°120.0°
C6C1C2113.6°109.3°
C1C6C5113.3°110.3°
C6C1H1108.4°109.5°
C6C1H2108.4°109.5°
C1C2N3112.2°109.5°
C2C1H1108.4°109.5°
C2C1H2108.4°109.6°
C1C2H3108.8°109.4°
C1C2H4108.8°109.4°
C6C5C4114.4°109.3°
C6C5H7108.3°109.5°
C6C5H8108.3°109.5°
C15C16C17120.1°120.1°
C16C15H12120.1°119.9°
C15C16H13119.9°119.9°
C2N3C4111.4°111.3°
C2N3C18108.7°111.0°
N3C2H3108.8°109.5°
N3C2H4108.8°109.5°
C17C16H13120.0°120.0°
C16C17H14119.7°120.0°
C5C4N3112.5°109.4°
C5C4H5108.7°109.5°
C5C4H6108.7°109.4°
C4C5H7108.2°109.5°
C4C5H8108.2°109.5°
C4N3C18109.9°111.0°
N3C4H5108.7°109.5°
N3C4H6108.7°109.5°
N3C18C19111.1°109.5°
N3C18H15109.1°109.5°
N3C18H16109.1°109.4°
C18C19C20111.5°109.5°
C19C18H15109.1°109.5°
C19C18H16109.1°109.4°
C18C19H17109.0°109.5°
C18C19H18108.9°109.5°
C19C20C21112.7°109.5°
C20C19H17108.9°109.5°
C20C19H18108.9°109.4°
C19C20H19108.7°109.5°
C19C20H20108.7°109.5°
C20C21O22120.2°120.0°
C20C21C23119.5°120.0°
C21C20H19108.7°109.5°
C21C20H20108.7°109.5°
O22C21C23120.3°120.0°
C21C23C28120.8°120.2°
C21C23C24119.3°120.1°
C28C23C24119.9°119.7°
C23C28C27120.0°119.9°
C23C28H24120.0°120.1°
C23C24C25120.2°119.9°
C23C24H21119.9°120.1°
C28C27C26120.1°120.1°
C28C27H23120.0°120.0°
C27C28H24120.0°120.0°
C24C25C26119.9°120.1°
C25C24H21119.9°120.0°
C24C25H22120.1°119.9°
C27C26C25120.0°120.3°
C27C26F29120.1°119.9°
C26C27H23120.0°119.9°
C25C26F29119.9°119.9°
C26C25H22120.1°119.9°
H1C1H2109.5°109.5°
H3C2H4109.5°109.4°
H5C4H6109.5°109.5°
H7C5H8109.5°109.5°
H9C10H26109.5°110.1°
H15C18H16109.4°109.5°
H17C19H18109.5°109.5°
H19C20H20109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C10N9C7H25180.0°179.9°
N9C10N11H9119.3°119.2°
N9C10N11H26119.2°119.2°
C10N9C7O8180.0°179.3°
C10N9C7C60.0°0.7°
N9C10N11C12179.9°145.5°
N9C10N11C60.1°26.5°
N9C10H9H26122.3°121.6°
C7N9C10N110.1°17.4°
N9C7O8C6180.0°180.0°
N9C7C6N110.1°16.3°
N9C7C6C1114.2°135.2°
N9C7C6C5120.7°102.5°
C7N9C10H9119.2°136.7°
C7N9C10H26119.3°101.8°
C10N11C12C130.1°172.9°
C10N11C6C70.1°25.8°
C10N11C12C6179.8°114.1°
C10N11C12C17179.9°7.3°
C10N11C6C1114.0°144.9°
C10N11C6C5119.4°93.2°
N11C10H9H26122.2°121.7°
N11C10N9H25179.9°162.5°
C14C13C12H10180.0°180.0°
C13C14C15H11180.0°180.0°
C14C13C12N11179.9°179.8°
C14C13C12C170.0°0.0°
C13C14C15C160.1°0.0°
C13C14C15H12179.9°180.0°
C12C13C14C150.0°0.0°
C13C12N11C17180.0°179.8°
C13C12N11C6179.9°58.9°
C13C12C17C160.1°0.0°
C12C13C14H11180.0°180.0°
C13C12C17H14179.9°180.0°
O8C7C6N11179.9°163.7°
O8C7C6C165.8°44.8°
O8C7C6C559.3°77.5°
O8C7N9H250.0°0.8°
C7C6N11C12179.9°144.8°
C7C6N11C1114.1°119.1°
C7C6N11C5119.3°119.0°
C7C6C1C5123.9°122.4°
C7C6C1C277.8°65.9°
C7C6C5C477.8°65.9°
C7C6C1H142.8°174.2°
C7C6C1H2161.5°54.1°
C7C6C5H7161.5°54.1°
C7C6C5H842.9°174.2°
C6C7N9H25180.0°179.2°
C14C15C16H12180.0°179.9°
C14C15C16C170.1°0.1°
C15C14C13H10180.0°180.0°
C14C15C16H13179.9°180.0°
C12N11C6C165.8°96.2°
C12N11C6C560.8°25.7°
N11C12C17C16179.9°179.8°
C12N11C10H960.7°95.3°
N11C12C13H100.1°0.2°
N11C12C17H140.1°0.2°
C12N11C10H2660.8°26.3°
C6N11C12C170.2°121.3°
N11C6C1C5126.5°121.7°
N11C6C1C2172.5°178.2°
N11C6C5C4168.6°178.2°
N11C6C1H166.9°58.3°
N11C6C1H251.9°61.8°
N11C6C5H747.9°61.8°
N11C6C5H870.7°58.3°
C6N11C10H9119.1°145.7°
C6N11C10H26119.4°92.7°
C12C17C16C150.2°0.0°
C12C17C16H14180.0°180.0°
C17C12C13H10180.0°180.0°
C12C17C16H13179.8°180.0°
C6C1C2H1120.6°119.9°
C6C1C2H2120.6°120.0°
C6C1C2N352.1°58.4°
C1C6C5C444.5°56.4°
C6C1H1H2118.1°120.1°
C6C1C2H368.3°61.7°
C6C1C2H4172.5°178.4°
C1C6C5H776.1°176.4°
C1C6C5H8165.3°63.5°
C2C1C6C546.0°56.4°
C1C2N3H3120.4°120.0°
C1C2N3H4120.4°120.0°
C1C2N3C455.7°62.2°
C1C2N3C18176.9°173.7°
C2C1H1H2118.1°120.1°
C1C2H3H4118.8°119.9°
C6C5C4H7120.7°120.0°
C6C5C4H8120.7°119.9°
C6C5C4N348.8°58.4°
C5C6C1H1166.6°63.5°
C5C6C1H274.6°176.4°
C6C5C4H5169.2°178.3°
C6C5C4H671.7°61.6°
C6C5H7H8117.8°120.1°
C15C16C17H13180.0°180.0°
C16C15C14H11179.9°180.0°
C15C16C17H14179.9°180.0°
C2N3C4C554.0°62.1°
C2N3C4C18120.5°124.2°
C2N3C18C19150.5°170.0°
N3C2C1H1172.7°61.5°
N3C2C1H268.5°178.3°
N3C2H3H4118.8°120.1°
C2N3C4H5174.5°177.9°
C2N3C4H666.5°57.8°
C2N3C18H1589.2°50.0°
C2N3C18H1630.2°70.1°
C17C16C15H12179.9°180.0°
C5C4N3H5120.5°120.0°
C5C4N3H6120.4°119.9°
C5C4N3C18174.5°173.7°
C5C4H5H6118.6°120.0°
C4C5H7H8117.7°120.0°
C4N3C18C1987.4°65.7°
C4N3C2H364.7°57.8°
C4N3C2H4176.1°177.8°
N3C4H5H6118.6°120.0°
N3C4C5H771.9°178.4°
N3C4C5H8169.5°61.6°
C4N3C18H1532.9°174.3°
C4N3C18H16152.3°54.3°
N3C18C19H15120.3°120.1°
N3C18C19H16120.3°120.0°
N3C18C19C20178.0°179.9°
C18N3C2H356.5°66.3°
C18N3C2H462.7°53.7°
C18N3C4H565.0°53.7°
C18N3C4H654.0°66.4°
N3C18H15H16119.2°120.0°
N3C18C19H1757.7°60.1°
N3C18C19H1861.7°60.0°
C18C19C20H17120.3°120.0°
C18C19C20H18120.3°120.0°
C18C19C20C21138.6°180.0°
C19C18H15H16119.3°119.9°
C18C19H17H18119.1°120.1°
C18C19C20H19100.9°60.0°
C18C19C20H2018.2°60.0°
C19C20C21H19120.5°120.1°
C19C20C21H20120.5°120.0°
C19C20C21O2228.4°0.0°
C19C20C21C23151.5°180.0°
C20C19C18H1561.8°60.0°
C20C19C18H1657.7°60.0°
C20C19H17H18119.1°119.9°
C19C20H19H20118.5°120.0°
C20C21O22C23180.0°180.0°
C20C21C23C28136.8°180.0°
C20C21C23C2443.9°0.3°
C21C20C19H1718.3°60.0°
C21C20C19H18101.1°60.0°
C21C20H19H20118.6°120.0°
O22C21C23C2843.3°0.0°
O22C21C23C24136.1°179.7°
O22C21C20H19148.9°120.0°
O22C21C20H2092.1°120.0°
C21C23C28C24179.4°179.7°
C21C23C28C27179.8°179.7°
C21C23C24C25179.8°180.0°
C23C21C20H1931.1°60.0°
C23C21C20H2088.0°60.0°
C21C23C24H210.2°0.1°
C21C23C28H240.2°0.0°
C23C28C27H24180.0°179.7°
C28C23C24C250.4°0.3°
C23C28C27C260.2°0.6°
C28C23C24H21179.6°179.8°
C23C28C27H23179.8°179.7°
C24C23C28C270.4°0.6°
C23C24C25H21180.0°179.9°
C23C24C25C260.2°0.1°
C23C24C25H22179.8°180.0°
C24C23C28H24179.6°179.7°
C28C27C26H23180.0°179.7°
C28C27C26C250.0°0.3°
C28C27C26F29180.0°179.7°
C24C25C26C270.0°0.1°
C24C25C26H22180.0°179.9°
C24C25C26F29180.0°180.0°
C27C26C25F29180.0°180.0°
C27C26C25H22180.0°180.0°
C26C27C28H24179.8°179.7°
C26C25C24H21179.8°179.9°
C25C26C27H23180.0°179.9°
F29C26C25H220.0°0.1°
F29C26C27H230.1°0.0°
H1C1C2H352.3°178.4°
H1C1C2H466.9°58.5°
H2C1C2H3171.1°58.3°
H2C1C2H451.9°61.6°
H5C4C5H748.5°61.6°
H5C4C5H870.0°58.4°
H6C4C5H7167.6°58.4°
H6C4C5H849.1°178.4°
H9C10N9H2560.8°43.2°
H10C13C14H110.0°0.0°
H11C14C15H120.1°0.0°
H12C15C16H130.1°0.1°
H13C16C17H140.2°0.0°
H15C18C19H17178.0°60.0°
H15C18C19H1858.5°179.9°
H16C18C19H1762.6°180.0°
H16C18C19H18178.0°60.0°
H17C19C20H19138.8°180.0°
H17C19C20H20102.1°60.0°
H18C19C20H1919.4°60.0°
H18C19C20H20138.4°180.0°
H21C24C25H220.2°0.2°
H23C27C28H240.2°0.0°
H26C10N9H2560.7°78.3°

222624

PDB entries from 2024-07-17

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