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A1AQK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C29C28sing1.51Å1.52Å
F22C21sing1.35Å1.35Å
O5C4doub1.22Å1.26Å
O18C17doub1.22Å1.22Å
C20C21doub1.37Å1.35ÅAromatic
C20C19sing1.40Å1.39ÅAromatic
C27C28doub1.38Å1.37ÅAromatic
C27C26sing1.38Å1.40ÅAromatic
C21C11sing1.40Å1.38ÅAromatic
C28C23sing1.39Å1.41ÅAromatic
C1C2sing1.53Å1.53Å
C4N3sing1.35Å1.34Å
C4N6sing1.35Å1.37Å
C17C19sing1.47Å1.44Å
C17N16sing1.35Å1.38Å
C2N3sing1.47Å1.45Å
C19C13doub1.41Å1.43ÅAromatic
C26C25doub1.38Å1.38ÅAromatic
C11N6sing1.40Å1.38Å
C11C12doub1.38Å1.40ÅAromatic
N3C8sing1.37Å1.38Å
C23N16sing1.40Å1.41Å
C23C24doub1.39Å1.39ÅAromatic
N6N7sing1.40Å1.38Å
N16C15sing1.37Å1.38Å
C13C12sing1.39Å1.40ÅAromatic
C13C14sing1.46Å1.48Å
C25C24sing1.38Å1.39ÅAromatic
C15C14doub1.34Å1.35Å
C8N7doub1.29Å1.30Å
C8C9sing1.51Å1.51Å
C14C30sing1.51Å1.52Å
O10C9sing1.43Å1.42Å
C30C31sing1.53Å1.54Å
C30C32sing1.53Å1.53Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C12H6sing1.08Å1.08Å
C15H7sing1.08Å1.08Å
C24H8sing1.08Å1.08Å
C27H9sing1.08Å1.08Å
C30H10sing1.09Å1.10Å
C31H11sing1.09Å1.10Å
C31H12sing1.09Å1.10Å
C31H13sing1.09Å1.10Å
C32H14sing1.09Å1.10Å
C32H15sing1.09Å1.10Å
C32H16sing1.09Å1.10Å
C9H17sing1.09Å1.10Å
C9H18sing1.09Å1.10Å
O10H19sing0.97Å0.95Å
C20H20sing1.08Å1.08Å
C25H21sing1.08Å1.08Å
C26H22sing1.08Å1.08Å
C29H23sing1.09Å1.10Å
C29H24sing1.09Å1.10Å
C29H25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C29C28C27118.8°120.0°
C29C28C23121.8°120.0°
C28C29H23109.5°109.5°
C28C29H24109.5°109.5°
C28C29H25109.4°109.5°
F22C21C20119.5°119.6°
F22C21C11117.8°119.6°
O5C4N3127.7°126.3°
O5C4N6125.1°126.3°
O18C17C19123.2°120.4°
O18C17N16120.5°120.4°
C21C20C19120.1°119.7°
C20C21C11122.6°120.8°
C21C20H20119.9°120.2°
C20C19C17118.7°121.9°
C20C19C13119.2°119.8°
C19C20H20120.0°120.1°
C28C27C26120.2°120.1°
C27C28C23119.3°119.9°
C28C27H9119.9°120.0°
C27C26C25120.4°120.1°
C26C27H9119.9°120.0°
C27C26H22119.8°119.9°
C21C11N6124.4°119.7°
C21C11C12119.1°120.5°
C28C23N16119.2°120.1°
C28C23C24120.7°119.8°
C1C2N3110.9°109.5°
C2C1H1109.5°109.5°
C2C1H2109.4°109.5°
C2C1H3109.5°109.5°
C1C2H4109.1°109.5°
C1C2H5109.1°109.5°
N3C4N6107.2°107.4°
C4N3C2124.9°125.8°
C4N3C8107.4°108.3°
C4N6C11130.5°126.3°
C4N6N7107.8°107.3°
C19C17N16116.2°119.3°
C17C19C13122.1°118.3°
C17N16C23123.2°118.9°
C17N16C15121.4°122.3°
C2N3C8127.7°125.8°
N3C2H4109.1°109.5°
N3C2H5109.1°109.4°
C19C13C12119.1°119.8°
C19C13C14118.2°118.3°
C26C25C24120.0°120.1°
C26C25H21120.0°120.0°
C25C26H22119.8°120.0°
N6C11C12116.3°119.7°
C11N6N7121.6°126.4°
C11C12C13119.9°119.4°
C11C12H6120.0°120.3°
N3C8N7110.1°108.9°
N3C8C9126.7°125.6°
N16C23C24119.8°120.1°
C23N16C15115.4°118.9°
C23C24C25119.2°119.9°
C23C24H8120.4°120.1°
N6N7C8107.5°108.1°
N16C15C14126.4°122.4°
N16C15H7116.8°118.8°
C12C13C14122.6°121.9°
C13C12H6120.1°120.3°
C13C14C15115.3°119.4°
C13C14C30120.1°120.3°
C25C24H8120.4°120.0°
C24C25H21120.0°120.0°
C15C14C30124.3°120.3°
C14C15H7116.8°118.8°
N7C8C9123.2°125.5°
C8C9O10111.2°109.5°
C8C9H17109.0°109.5°
C8C9H18109.0°109.5°
C14C30C31115.1°109.4°
C14C30C32108.2°109.4°
C14C30H10108.0°109.5°
O10C9H17109.0°109.5°
O10C9H18109.0°109.4°
C9O10H19109.5°114.0°
C31C30C32109.5°109.5°
C31C30H10107.9°109.5°
C30C31H11109.5°109.4°
C30C31H12109.5°109.5°
C30C31H13109.4°109.5°
C32C30H10107.9°109.5°
C30C32H14109.5°109.5°
C30C32H15109.5°109.5°
C30C32H16109.5°109.5°
H1C1H2109.4°109.5°
H1C1H3109.4°109.4°
H2C1H3109.5°109.4°
H4C2H5109.5°109.5°
H11C31H12109.4°109.5°
H11C31H13109.5°109.5°
H12C31H13109.5°109.5°
H14C32H15109.4°109.4°
H14C32H16109.5°109.5°
H15C32H16109.5°109.5°
H17C9H18109.5°109.5°
H23C29H24109.4°109.5°
H23C29H25109.5°109.5°
H24C29H25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C29C28C27C23177.9°179.4°
C29C28C27C26179.7°180.0°
C29C28C23N165.4°0.4°
C29C28C23C24179.5°180.0°
C29C28C27H90.3°0.6°
C28C29H23H24120.0°120.0°
C28C29H23H25120.0°120.0°
C28C29H24H25120.0°120.0°
F22C21C20C11179.9°180.0°
F22C21C20C19178.3°179.9°
F22C21C11N63.0°0.0°
F22C21C11C12178.3°179.7°
F22C21C20H201.8°0.0°
O5C4N3N6178.3°179.7°
O5C4N3C20.1°0.2°
O5C4N6C113.3°0.2°
O5C4N3C8178.8°179.7°
O5C4N6N7178.9°179.7°
O18C17C19C204.6°0.3°
O18C17C19N16177.0°179.3°
O18C17C19C13176.0°180.0°
O18C17N16C230.4°0.6°
O18C17N16C15179.2°180.0°
C21C20C19H20180.0°180.0°
C21C20C19C17179.7°180.0°
C21C20C19C130.9°0.3°
C20C21C11N6177.1°180.0°
C20C21C11C121.8°0.3°
C19C20C21C111.8°0.0°
C20C19C17C13179.4°179.7°
C20C19C17N16172.4°179.6°
C20C19C13C120.0°0.3°
C20C19C13C14175.5°180.0°
C28C27C26H9180.0°179.4°
C28C27C26C250.3°0.3°
C27C28C23N16176.7°179.8°
C27C28C23C242.7°0.6°
C28C27C26H22179.7°180.0°
C27C28C29H2389.0°90.0°
C27C28C29H24151.0°150.0°
C27C28C29H2531.0°30.0°
C26C27C28C231.8°0.6°
C27C26C25H22180.0°179.8°
C27C26C25C240.4°0.1°
C27C26C25H21179.6°180.0°
C21C11N6C452.7°95.3°
C21C11N6C12175.4°179.7°
C21C11N6N7132.4°84.8°
C21C11C12C130.9°0.3°
C21C11C12H6179.1°179.7°
C11C21C20H20178.2°180.0°
C28C23N16C1768.3°89.7°
C28C23N16C24174.1°179.7°
C28C23N16C15112.1°89.7°
C28C23C24C251.9°0.3°
C28C23C24H8178.0°179.7°
C23C28C27H9178.2°180.0°
C23C28C29H2388.9°89.4°
C23C28C29H2431.1°30.6°
C23C28C29H25151.1°150.5°
C1C2N3C494.4°90.0°
C1C2N3H4120.2°120.0°
C1C2N3H5120.2°120.0°
C1C2N3C887.1°90.0°
C2C1H1H2120.0°120.1°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.0°
C1C2H4H5119.3°120.0°
C4N3C2C8178.5°179.9°
N3C4N6C11178.3°180.0°
N3C4N6N72.8°0.0°
C4N3C8N71.9°0.0°
C4N3C8C9177.2°180.0°
C4N3C2H425.8°30.0°
C4N3C2H5145.4°150.0°
N6C4N3C2178.4°180.0°
C4N6C11N7175.0°180.0°
C4N6C11C12132.0°85.0°
N6C4N3C82.9°0.0°
C4N6N7C81.6°0.0°
C19C17N16C23176.7°180.0°
C19C17N16C153.7°0.7°
C17C19C13C12179.4°180.0°
C17C19C13C143.9°0.3°
C17C19C20H200.3°0.0°
N16C17C19C137.0°0.6°
C17N16C23C15179.6°179.4°
C17N16C23C24117.6°90.0°
C17N16C15C143.2°0.4°
C17N16C15H7176.8°179.6°
C2N3C8N7179.4°179.9°
C2N3C8C91.5°0.0°
N3C2C1H1180.0°60.0°
N3C2C1H260.0°60.0°
N3C2C1H360.0°180.0°
N3C2H4H5119.4°120.0°
C19C13C12C110.0°0.0°
C19C13C12C14175.3°179.7°
C19C13C14C152.6°0.0°
C19C13C14C30177.1°180.0°
C19C13C12H6180.0°180.0°
C13C19C20H20179.1°179.7°
C26C25C24C230.4°0.0°
C26C25C24H21180.0°179.9°
C26C25C24H8179.6°180.0°
C25C26C27H9179.7°179.7°
N6C11C12C13176.5°180.0°
C11N6N7C8177.6°180.0°
N6C11C12H63.5°0.0°
C12C11N6N743.0°94.9°
C11C12C13H6180.0°180.0°
C11C12C13C14175.3°179.7°
N3C8N7N60.2°0.0°
N3C8N7C9179.2°180.0°
N3C8C9O1064.5°180.0°
C8N3C2H4152.7°150.0°
C8N3C2H533.1°30.0°
N3C8C9H17175.3°60.0°
N3C8C9H1855.8°60.0°
N16C23C24C25175.9°179.9°
C23N16C15C14176.5°179.7°
C23N16C15H73.5°0.3°
N16C23C24H84.0°0.0°
C24C23N16C1562.0°90.7°
C23C24C25H8180.0°179.9°
C23C24C25H21179.6°180.0°
N6N7C8C9179.0°180.0°
N16C15C14C136.3°0.0°
N16C15C14H7180.0°180.0°
N16C15C14C30179.4°179.9°
C12C13C14C15172.7°179.7°
C12C13C14C301.8°0.3°
C13C14C15C30174.3°180.0°
C13C14C30C31156.2°60.1°
C13C14C30C3281.0°59.9°
C14C13C12H64.7°0.3°
C13C14C15H7173.7°180.0°
C13C14C30H1035.6°179.9°
C24C25C26H22179.6°179.7°
C15C14C30C3117.8°119.9°
C15C14C30C32105.0°120.1°
C15C14C30H10138.5°0.1°
N7C8C9O10116.4°0.1°
N7C8C9H173.8°120.0°
N7C8C9H18123.3°120.0°
C8C9O10H17120.3°120.0°
C8C9O10H18120.3°120.0°
C8C9H17H18119.2°120.0°
C8C9O10H19180.0°180.0°
C14C30C31C32122.1°120.0°
C14C30C31H10120.7°120.0°
C14C30C32H10116.7°120.0°
C30C14C15H70.6°0.0°
C14C30C31H11180.0°173.4°
C14C30C31H1260.0°66.6°
C14C30C31H1360.0°53.4°
C14C30C32H14180.0°66.3°
C14C30C32H1560.0°173.7°
C14C30C32H1660.0°53.7°
O10C9H17H18119.2°120.0°
C31C30C32H10117.2°120.0°
C30C31H11H12120.0°120.0°
C30C31H11H13120.0°120.0°
C30C31H12H13120.0°120.0°
C31C30C32H1453.8°173.7°
C31C30C32H15173.8°53.8°
C31C30C32H1666.2°66.3°
C32C30C31H1157.9°53.4°
C32C30C31H1262.1°173.4°
C32C30C31H13177.9°66.6°
C30C32H14H15120.0°120.0°
C30C32H14H16120.0°120.0°
C30C32H15H16120.0°120.0°
H1C1H2H3120.0°119.9°
H1C1C2H459.7°60.0°
H1C1C2H559.8°180.0°
H2C1C2H460.2°179.9°
H2C1C2H5179.8°60.0°
H3C1C2H4179.7°60.0°
H3C1C2H560.2°60.0°
H8C24C25H210.4°0.1°
H9C27C26H220.3°0.5°
H10C30C31H1159.3°66.7°
H10C30C31H12179.3°53.3°
H10C30C31H1360.7°173.4°
H10C30C32H1463.3°53.7°
H10C30C32H1556.7°66.3°
H10C30C32H16176.6°173.7°
H11C31H12H13120.0°120.0°
H14C32H15H16120.0°120.0°
H17C9O10H1959.7°60.0°
H18C9O10H1959.7°60.0°
H21C25C26H220.4°0.2°
H23C29H24H25120.0°120.0°

248335

PDB entries from 2026-01-28

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