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1K3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C23N6sing1.47Å1.46Å
C21N6sing1.47Å1.45Å
C21C22sing1.53Å1.52Å
O1C24sing1.43Å1.43Å
O1C10sing1.36Å1.38Å
C11C10doub1.39Å1.39ÅAromatic
C11C12sing1.38Å1.39ÅAromatic
N6C20sing1.47Å1.46Å
C20C19sing1.53Å1.53Å
C10C9sing1.39Å1.41ÅAromatic
C12C7doub1.40Å1.40ÅAromatic
C22N5sing1.47Å1.47Å
C9C8doub1.38Å1.40ÅAromatic
N5C19sing1.47Å1.47Å
N5C16sing1.40Å1.38Å
C7C8sing1.40Å1.40ÅAromatic
C7C3sing1.48Å1.49Å
C17C16doub1.39Å1.40ÅAromatic
C17C18sing1.38Å1.38ÅAromatic
C16C15sing1.39Å1.40ÅAromatic
C18C13doub1.39Å1.38ÅAromatic
C3C2doub1.38Å1.39ÅAromatic
C3N1sing1.37Å1.35ÅAromatic
C2C1sing1.40Å1.39ÅAromatic
C15C14doub1.38Å1.39ÅAromatic
N2N1sing1.40Å1.39ÅAromatic
N2C6doub1.32Å1.34ÅAromatic
N1C4sing1.37Å1.33ÅAromatic
C13C14sing1.39Å1.39ÅAromatic
C13N4sing1.40Å1.36Å
C1C5doub1.36Å1.39ÅAromatic
C6N4sing1.39Å1.37Å
C6N3sing1.33Å1.35ÅAromatic
C4C5sing1.41Å1.39ÅAromatic
C4N3doub1.33Å1.35ÅAromatic
C24H1sing1.09Å1.10Å
C24H2sing1.09Å1.10Å
C24H3sing1.09Å1.10Å
C9H4sing1.08Å1.08Å
C8H5sing1.08Å1.08Å
C11H6sing1.08Å1.08Å
C12H7sing1.08Å1.08Å
C2H8sing1.08Å1.08Å
C5H9sing1.08Å1.08Å
C1H10sing1.08Å1.08Å
N4H11sing0.97Å1.00Å
C18H12sing1.08Å1.08Å
C17H13sing1.08Å1.08Å
C15H14sing1.08Å1.08Å
C14H15sing1.08Å1.08Å
C22H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C21H18sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C20H24sing1.09Å1.10Å
C20H25sing1.09Å1.10Å
C19H26sing1.09Å1.10Å
C19H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C23N6C21108.8°111.0°
C23N6C20110.0°111.0°
N6C23H21109.5°109.5°
N6C23H22109.5°109.5°
N6C23H23109.4°109.5°
N6C21C22104.9°109.4°
C21N6C20107.9°110.9°
N6C21H18110.6°109.5°
N6C21H19110.6°109.5°
C21C22N5109.4°109.4°
C21C22H16109.5°109.5°
C21C22H17109.5°109.5°
C22C21H18110.6°109.5°
C22C21H19110.6°109.5°
C24O1C10121.3°117.0°
O1C24H1109.5°109.5°
O1C24H2109.5°109.4°
O1C24H3109.4°109.5°
O1C10C11117.4°119.9°
O1C10C9123.5°119.9°
C10C11C12120.3°120.1°
C11C10C9119.1°120.2°
C10C11H6119.9°120.0°
C11C12C7121.1°120.0°
C12C11H6119.9°119.9°
C11C12H7119.5°120.0°
N6C20C19106.7°109.4°
N6C20H24110.1°109.5°
N6C20H25110.1°109.5°
C20C19N5111.1°109.4°
C19C20H24110.2°109.5°
C19C20H25110.2°109.5°
C20C19H26109.1°109.5°
C20C19H27109.1°109.5°
C10C9C8120.6°120.1°
C10C9H4119.7°120.0°
C12C7C8118.9°119.8°
C12C7C3118.2°120.1°
C7C12H7119.4°120.0°
C22N5C19118.9°110.9°
C22N5C16120.0°111.0°
N5C22H16109.5°109.5°
N5C22H17109.5°109.5°
C9C8C7120.0°119.9°
C8C9H4119.7°119.9°
C9C8H5120.0°120.1°
C19N5C16121.0°111.0°
N5C19H26109.0°109.5°
N5C19H27109.1°109.5°
N5C16C17120.4°120.0°
N5C16C15122.2°120.0°
C8C7C3122.8°120.1°
C7C8H5120.0°120.0°
C7C3C2119.9°119.9°
C7C3N1121.3°119.9°
C16C17C18121.4°120.0°
C17C16C15117.4°119.9°
C16C17H13119.3°119.9°
C17C18C13120.9°120.0°
C17C18H12119.5°120.0°
C18C17H13119.3°120.0°
C16C15C14120.7°120.0°
C16C15H14119.6°120.0°
C18C13C14118.3°120.0°
C18C13N4123.6°120.0°
C13C18H12119.5°120.0°
C2C3N1118.8°120.2°
C3C2C1119.5°119.9°
C3C2H8120.2°120.1°
C3N1N2123.2°133.1°
C3N1C4123.0°120.5°
C2C1C5119.7°119.8°
C1C2H8120.2°120.0°
C2C1H10120.1°120.1°
C15C14C13121.1°120.0°
C14C15H14119.6°120.0°
C15C14H15119.4°120.0°
N1N2C699.9°107.0°
N2N1C4113.8°106.4°
N2C6N4124.2°125.2°
N2C6N3114.7°109.5°
N1C4C5120.0°119.9°
N1C4N3105.9°107.5°
C14C13N4118.1°120.0°
C13C14H15119.4°120.0°
C13N4C6129.3°120.0°
C13N4H11115.4°120.0°
C1C5C4118.8°119.7°
C1C5H9120.6°120.1°
C5C1H10120.1°120.2°
N4C6N3121.1°125.3°
C6N4H11115.4°120.0°
C6N3C4105.7°109.7°
C5C4N3134.0°132.6°
C4C5H9120.6°120.2°
H1C24H2109.5°109.5°
H1C24H3109.5°109.5°
H2C24H3109.5°109.5°
H16C22H17109.5°109.5°
H18C21H19109.5°109.5°
H21C23H22109.4°109.5°
H21C23H23109.5°109.4°
H22C23H23109.5°109.4°
H24C20H25109.5°109.5°
H26C19H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C23N6C21C20119.3°123.9°
C23N6C21C22165.3°176.8°
C23N6C20C19170.4°176.8°
C23N6C21H1875.4°56.8°
C23N6C21H1946.0°63.2°
N6C23H21H22120.0°120.1°
N6C23H21H23120.0°120.0°
N6C23H22H23120.0°120.0°
C23N6C20H2450.8°56.8°
C23N6C20H2570.1°63.2°
N6C21C22H18119.3°120.0°
N6C21C22H19119.2°120.0°
C21N6C20C1971.1°59.3°
N6C21C22N558.1°58.4°
N6C21C22H16178.1°61.6°
N6C21C22H1761.9°178.4°
N6C21H18H19122.1°120.0°
C21N6C23H21180.0°60.0°
C21N6C23H2260.0°180.0°
C21N6C23H2360.0°60.0°
C21N6C20H24169.4°179.3°
C21N6C20H2548.5°60.7°
C22C21N6C2075.4°59.3°
C21C22N5H16120.0°119.9°
C21C22N5H17120.0°120.0°
C21C22N5C1943.5°59.3°
C21C22N5C16138.9°176.8°
C21C22H16H17120.0°120.1°
C22C21H18H19122.1°120.0°
C24O1C10C11178.9°0.3°
C24O1C10C90.3°180.0°
O1C24H1H2120.0°119.9°
O1C24H1H3120.0°120.0°
O1C24H2H3120.0°120.0°
O1C10C11C9179.3°179.7°
O1C10C11C12179.9°180.0°
O1C10C9C8179.9°180.0°
C10O1C24H1180.0°180.0°
C10O1C24H260.0°60.0°
C10O1C24H360.0°60.0°
O1C10C9H40.1°0.0°
O1C10C11H60.1°0.0°
C10C11C12H6180.0°180.0°
C10C11C12C71.8°0.1°
C11C10C9C80.6°0.3°
C11C10C9H4179.4°179.8°
C10C11C12H7178.2°179.9°
C12C11C10C90.9°0.3°
C11C12C7H7180.0°180.0°
C11C12C7C82.4°0.3°
C11C12C7C3179.4°180.0°
N6C20C19H24119.5°120.0°
N6C20C19H25119.5°119.9°
N6C20C19N550.0°58.3°
C20N6C21H1843.9°179.3°
C20N6C21H19165.3°60.7°
C20N6C23H2162.0°63.8°
C20N6C23H22178.0°56.2°
C20N6C23H2358.0°176.2°
N6C20H24H25121.3°120.0°
N6C20C19H2670.2°178.3°
N6C20C19H27170.3°61.6°
C20C19N5C2239.5°59.3°
C20C19N5H26120.2°120.0°
C20C19N5H27120.2°119.9°
C20C19N5C16142.9°176.8°
C19C20H24H25121.3°120.0°
C20C19H26H27119.3°120.0°
C10C9C8H4180.0°179.9°
C10C9C8C71.3°0.0°
C10C9C8H5178.7°179.9°
C9C10C11H6179.1°179.7°
C12C7C8C92.2°0.3°
C12C7C8C3176.9°179.6°
C12C7C3C2138.2°65.0°
C12C7C3N140.7°115.3°
C12C7C8H5177.9°179.8°
C7C12C11H6178.2°180.0°
C22N5C19C16177.6°123.9°
C22N5C16C170.9°56.1°
C22N5C16C15179.2°123.7°
N5C22H16H17120.0°120.1°
N5C22C21H1861.2°178.4°
N5C22C21H19177.3°61.6°
C22N5C19H2680.8°179.3°
C22N5C19H27159.7°60.6°
C9C8C7H5180.0°179.9°
C9C8C7C3179.0°180.0°
C19N5C16C17178.5°180.0°
C19N5C16C151.5°0.1°
C19N5C22H16163.5°60.6°
C19N5C22H1776.5°179.3°
N5C19C20H24169.6°178.3°
N5C19C20H2569.5°61.6°
N5C19H26H27119.3°120.0°
N5C16C17C15179.9°179.9°
N5C16C17C18179.7°179.9°
N5C16C15C14179.5°179.9°
N5C16C17H130.3°0.1°
N5C16C15H140.4°0.1°
C16N5C22H1618.9°63.3°
C16N5C22H17101.2°56.8°
C16N5C19H2696.9°56.8°
C16N5C19H2722.7°63.3°
C8C7C3C238.7°115.4°
C8C7C3N1142.4°64.3°
C7C8C9H4178.7°179.9°
C8C7C12H7177.6°179.6°
C7C3C2N1179.0°179.7°
C7C3C2C1178.7°180.0°
C7C3N1N21.2°0.1°
C7C3N1C4178.1°180.0°
C3C7C8H51.0°0.2°
C3C7C12H70.6°0.0°
C7C3C2H81.3°0.0°
C16C17C18H13180.0°180.0°
C16C17C18C130.0°0.0°
C17C16C15C140.4°0.0°
C16C17C18H12180.0°180.0°
C17C16C15H14179.6°180.0°
C18C17C16C150.2°0.0°
C17C18C13H12180.0°179.9°
C17C18C13C140.1°0.1°
C17C18C13N4178.7°179.7°
C16C15C14H14180.0°180.0°
C16C15C14C130.3°0.0°
C15C16C17H13179.7°180.0°
C16C15C14H15179.7°179.7°
C18C13C14C150.1°0.1°
C18C13C14N4178.7°179.8°
C18C13N4C64.3°150.3°
C18C13N4H11175.7°29.7°
C13C18C17H13180.0°179.9°
C18C13C14H15179.9°179.8°
C3C2C1H8180.0°180.0°
C2C3N1N2179.9°179.8°
C2C3N1C40.9°0.3°
C3C2C1C50.1°0.0°
C3C2C1H10179.9°180.0°
N1C3C2C10.3°0.3°
C3N1N2C4179.3°180.0°
C3N1N2C6179.9°180.0°
C3N1C4C51.2°0.0°
C3N1C4N3179.9°180.0°
N1C3C2H8179.7°179.7°
C2C1C5H10180.0°180.0°
C2C1C5C40.5°0.3°
C2C1C5H9179.6°180.0°
C15C14C13H15180.0°179.7°
C15C14C13N4178.6°179.7°
N1N2C6N4178.9°180.0°
N1N2C6N30.8°0.0°
N2N1C4C5179.5°180.0°
N2N1C4N30.7°0.0°
C6N2N1C40.9°0.0°
N2C6N4C133.9°174.7°
N2C6N4N3178.0°180.0°
N2C6N3C40.4°0.0°
N2C6N4H11176.1°5.4°
N1C4C5C11.0°0.3°
N1C4N3C60.2°0.0°
N1C4C5N3178.4°180.0°
N1C4C5H9179.0°180.0°
C14C13N4C6177.1°29.5°
C14C13N4H112.9°150.5°
C14C13C18H12179.9°180.0°
C13C14C15H14179.7°180.0°
C13N4C6H11180.0°180.0°
C13N4C6N3174.1°5.3°
N4C13C18H121.3°0.2°
N4C13C14H151.4°0.1°
C1C5C4H9180.0°179.8°
C1C5C4N3179.4°179.8°
C5C1C2H8179.9°180.0°
N4C6N3C4178.6°180.0°
C6N3C4C5178.7°180.0°
N3C6N4H115.9°174.6°
C4C5C1H10179.5°179.7°
N3C4C5H90.6°0.0°
H1C24H2H3120.0°120.0°
H4C9C8H51.3°0.1°
H6C11C12H71.8°0.0°
H8C2C1H100.1°0.0°
H9C5C1H100.5°0.0°
H12C18C17H130.0°0.0°
H14C15C14H150.3°0.3°
H16C22C21H1858.8°58.4°
H16C22C21H1962.7°178.5°
H17C22C21H18178.8°61.6°
H17C22C21H1957.3°58.4°
H21C23H22H23120.0°119.9°
H24C20C19H2649.4°61.6°
H24C20C19H2770.2°58.4°
H25C20C19H26170.3°58.4°
H25C20C19H2750.7°178.5°

222624

PDB entries from 2024-07-17

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