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KKQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10C9doub1.36Å1.39ÅAromatic
C10C11sing1.41Å1.39ÅAromatic
C9C8sing1.41Å1.40ÅAromatic
C11C12doub1.35Å1.40ÅAromatic
C8N3doub1.33Å1.35ÅAromatic
C8N4sing1.37Å1.35ÅAromatic
N3C7sing1.34Å1.35ÅAromatic
C12N4sing1.36Å1.35ÅAromatic
N4C6sing1.37Å1.35ÅAromatic
C7C6doub1.36Å1.49ÅAromatic
C7C13sing1.48Å1.50Å
C14C13doub1.39Å1.40ÅAromatic
C14C15sing1.38Å1.39ÅAromatic
C6C5sing1.51Å1.52Å
C13C18sing1.39Å1.40ÅAromatic
C15C16doub1.38Å1.39ÅAromatic
N1C5sing1.47Å1.47Å
N1C3sing1.47Å1.48Å
N1C2sing1.47Å1.48Å
C3C4sing1.53Å1.54Å
C2C1sing1.53Å1.53Å
C18C17doub1.38Å1.40ÅAromatic
C16C17sing1.38Å1.40ÅAromatic
C16BR1sing1.89Å1.90Å
C4N2sing1.47Å1.47Å
C21C22doub1.38Å1.40ÅAromatic
C21C20sing1.40Å1.40ÅAromatic
C1N2sing1.47Å1.47Å
N2C19sing1.35Å1.35Å
C22C23sing1.38Å1.40ÅAromatic
C19O1doub1.22Å1.22Å
C19C20sing1.48Å1.51Å
C20C25doub1.40Å1.40ÅAromatic
C23C24doub1.38Å1.39ÅAromatic
C25C24sing1.38Å1.40ÅAromatic
C25F1sing1.35Å1.35Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C5H9sing1.09Å1.10Å
C5H10sing1.09Å1.10Å
C9H11sing1.08Å1.08Å
C10H12sing1.08Å1.08Å
C11H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C18H16sing1.08Å1.08Å
C21H17sing1.08Å1.08Å
C22H18sing1.08Å1.08Å
C24H19sing1.08Å1.08Å
C12H21sing1.08Å1.08Å
C17H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C9C10C11119.1°119.6°
C10C9C8119.9°119.4°
C10C9H11120.0°120.3°
C9C10H12120.5°120.2°
C10C11C12118.6°120.3°
C11C10H12120.5°120.2°
C10C11H13120.7°119.8°
C9C8N3129.6°132.1°
C9C8N4120.6°119.6°
C8C9H11120.1°120.3°
C11C12N4122.1°120.6°
C12C11H13120.7°119.9°
C11C12H21119.0°119.6°
N3C8N4109.8°108.3°
C8N3C7110.1°109.1°
C8N4C12119.7°120.4°
C8N4C6109.0°107.2°
N3C7C6104.8°108.3°
N3C7C13123.9°125.8°
C12N4C6131.3°132.4°
N4C12H21119.0°119.7°
N4C6C7106.3°107.1°
N4C6C5126.3°126.5°
C6C7C13131.2°125.9°
C7C6C5127.1°126.4°
C7C13C14117.2°120.1°
C7C13C18123.7°120.1°
C13C14C15120.7°119.9°
C14C13C18119.1°119.8°
C13C14H14119.7°120.1°
C14C15C16120.4°120.1°
C15C14H14119.7°120.0°
C14C15H15119.8°119.9°
C6C5N1112.6°109.5°
C6C5H9108.7°109.5°
C6C5H10108.7°109.5°
C13C18C17120.2°119.9°
C13C18H16119.9°120.0°
C15C16C17119.6°120.2°
C15C16BR1118.3°119.9°
C16C15H15119.8°120.0°
C5N1C3112.3°111.0°
C5N1C2111.5°111.0°
N1C5H9108.7°109.5°
N1C5H10108.7°109.5°
C3N1C2114.5°111.3°
N1C3C4113.6°109.3°
N1C3H5108.4°109.5°
N1C3H6108.4°109.5°
N1C2C1112.5°109.3°
N1C2H3108.7°109.5°
N1C2H4108.7°109.5°
C3C4N2107.1°108.5°
C4C3H5108.4°109.4°
C4C3H6108.5°109.5°
C3C4H7110.0°109.6°
C3C4H8110.0°109.7°
C2C1N2106.3°108.5°
C2C1H1110.3°109.7°
C2C1H2110.3°109.8°
C1C2H3108.7°109.5°
C1C2H4108.7°109.5°
C18C17C16120.1°120.1°
C17C18H16119.9°120.1°
C18C17H22119.9°120.0°
C17C16BR1122.1°119.9°
C16C17H22120.0°119.9°
C4N2C1114.2°118.3°
C4N2C19124.9°120.9°
N2C4H7110.0°109.6°
N2C4H8110.1°109.6°
C22C21C20120.3°119.9°
C21C22C23119.7°120.2°
C22C21H17119.9°120.1°
C21C22H18120.2°119.9°
C21C20C19120.3°120.2°
C21C20C25119.4°119.7°
C20C21H17119.8°120.0°
C1N2C19120.8°120.8°
N2C1H1110.3°109.6°
N2C1H2110.3°109.6°
N2C19O1120.8°120.0°
N2C19C20124.2°120.0°
C22C23C24120.5°120.4°
C23C22H18120.1°119.9°
C22C23H23119.8°119.8°
O1C19C20114.9°120.0°
C19C20C25120.0°120.1°
C20C25C24120.3°119.8°
C20C25F1120.9°120.1°
C23C24C25119.8°120.1°
C23C24H19120.1°119.9°
C24C23H23119.8°119.8°
C24C25F1118.7°120.1°
C25C24H19120.1°120.0°
H1C1H2109.5°109.6°
H3C2H4109.5°109.5°
H5C3H6109.5°109.5°
H7C4H8109.5°109.8°
H9C5H10109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C9C10C11H12180.0°179.9°
C10C9C8H11180.0°179.9°
C9C10C11C120.1°0.2°
C10C9C8N3178.6°180.0°
C10C9C8N41.3°0.3°
C9C10C11H13179.9°179.9°
C11C10C9C81.6°0.1°
C10C11C12H13180.0°179.7°
C10C11C12N42.2°0.3°
C11C10C9H11178.4°180.0°
C10C11C12H21177.8°179.7°
C9C8N3N4179.9°179.8°
C9C8N3C7179.9°180.0°
C9C8N4C120.9°0.3°
C9C8N4C6178.9°179.8°
C8C9C10H12178.4°180.0°
C11C12N4C82.7°0.0°
C11C12N4H21180.0°180.0°
C11C12N4C6179.8°179.4°
C12C11C10H12179.9°179.7°
N3C8N4C12179.2°180.0°
N3C8N4C61.2°0.4°
C8N3C7C60.8°0.0°
C8N3C7C13176.7°180.0°
N3C8C9H111.4°0.1°
N4C8N3C70.2°0.2°
C8N4C12C6177.6°179.4°
C8N4C6C71.6°0.4°
C8N4C6C5176.1°179.8°
N4C8C9H11178.7°179.8°
C8N4C12H21177.3°180.0°
N3C7C6N41.5°0.2°
N3C7C6C13175.5°180.0°
N3C7C13C1411.7°142.9°
N3C7C6C5175.9°180.0°
N3C7C13C18171.5°37.1°
C12N4C6C7179.3°179.9°
C12N4C6C56.1°0.3°
N4C12C11H13177.8°180.0°
N4C6C7C5174.5°179.8°
N4C6C7C13176.9°179.8°
N4C6C5N166.4°91.6°
N4C6C5H954.1°148.4°
N4C6C5H10173.2°28.4°
C6N4C12H210.2°0.6°
C6C7C13C14163.1°37.1°
C6C7C13C1813.7°142.9°
C7C6C5N1120.2°88.1°
C7C6C5H9119.3°31.8°
C7C6C5H100.2°151.9°
C7C13C14C18176.9°180.0°
C7C13C14C15178.6°180.0°
C13C7C6C58.6°0.0°
C7C13C18C17178.7°180.0°
C7C13C14H141.4°0.3°
C7C13C18H161.3°0.0°
C13C14C15H14180.0°179.7°
C13C14C15C160.5°0.0°
C14C13C18C172.0°0.0°
C13C14C15H15179.6°180.0°
C14C13C18H16178.0°180.0°
C15C14C13C181.7°0.0°
C14C15C16H15180.0°180.0°
C14C15C16C170.5°0.0°
C14C15C16BR1179.2°179.9°
C6C5N1H9120.4°120.0°
C6C5N1H10120.5°120.0°
C6C5N1C3125.3°170.0°
C6C5N1C2104.7°65.7°
C6C5H9H10118.6°120.0°
C13C18C17H16180.0°180.0°
C13C18C17C161.0°0.0°
C18C13C14H14178.3°179.7°
C13C18C17H22179.0°179.9°
C15C16C17C180.3°0.0°
C15C16C17BR1179.7°180.0°
C16C15C14H14179.6°179.7°
C15C16C17H22179.8°179.9°
C5N1C3C2128.5°124.1°
C5N1C3C482.4°172.8°
C5N1C2C180.4°172.8°
C5N1C2H340.0°52.8°
C5N1C2H4159.1°67.3°
C5N1C3H5157.0°67.3°
C5N1C3H638.2°52.8°
N1C5H9H10118.6°120.1°
N1C3C4H5120.6°119.9°
N1C3C4H6120.6°120.0°
C3N1C2C148.5°63.1°
N1C3C4N250.0°53.8°
C3N1C2H3169.0°177.0°
C3N1C2H472.0°56.9°
N1C3H5H6118.1°120.1°
N1C3C4H7169.6°65.9°
N1C3C4H869.7°173.5°
C3N1C5H94.8°50.0°
C3N1C5H10114.3°70.0°
C2N1C3C446.0°63.1°
N1C2C1H3120.4°119.9°
N1C2C1H4120.4°120.0°
N1C2C1N254.9°53.8°
N1C2C1H164.6°173.6°
N1C2C1H2174.4°66.0°
N1C2H3H4118.6°120.1°
C2N1C3H574.6°56.8°
C2N1C3H6166.7°176.9°
C2N1C5H9134.8°174.3°
C2N1C5H1015.7°54.3°
C3C4N2H7119.6°119.7°
C3C4N2H8119.6°119.8°
C3C4N2C162.0°51.1°
C3C4N2C19119.9°128.8°
C4C3H5H6118.1°120.1°
C3C4H7H8121.1°120.5°
C2C1N2C464.6°51.2°
C2C1N2H1119.5°119.8°
C2C1N2H2119.5°119.9°
C2C1N2C19117.3°128.8°
C2C1H1H2121.5°120.6°
C1C2H3H4118.6°120.1°
C18C17C16H22180.0°179.9°
C18C17C16BR1179.5°180.0°
C17C16C15H15179.4°180.0°
C16C17C18H16179.0°180.0°
BR1C16C15H150.8°0.1°
BR1C16C17H220.5°0.1°
C4N2C1C19178.2°179.9°
C4N2C19O1178.9°4.6°
C4N2C19C201.0°175.5°
C4N2C1H154.9°171.0°
C4N2C1H2176.0°68.7°
N2C4C3H570.6°66.1°
N2C4C3H6170.6°173.8°
N2C4H7H8121.1°120.5°
C22C21C20H17180.0°179.9°
C21C22C23H18180.0°179.9°
C22C21C20C19177.1°180.0°
C22C21C20C252.7°0.2°
C21C22C23C241.7°0.3°
C21C22C23H23178.3°180.0°
C21C20C19N272.0°54.6°
C20C21C22C232.4°0.1°
C21C20C19O1108.0°125.3°
C21C20C19C25174.3°179.8°
C21C20C25C242.3°0.2°
C21C20C25F1178.9°179.8°
C20C21C22H18177.6°180.0°
C1N2C19O10.9°175.5°
C1N2C19C20179.0°4.5°
N2C1H1H2121.5°120.3°
N2C1C2H3175.4°173.7°
N2C1C2H465.5°66.2°
C1N2C4H7178.4°68.5°
C1N2C4H857.6°170.9°
N2C19O1C20179.9°179.9°
N2C19C20C25113.6°125.6°
C19N2C1H1123.3°9.0°
C19N2C1H22.2°111.3°
C19N2C4H70.3°111.5°
C19N2C4H8120.5°9.0°
C22C23C24H23180.0°179.7°
C22C23C24C251.2°0.3°
C23C22C21H17177.6°180.0°
C22C23C24H19178.7°179.7°
O1C19C20C2566.3°54.5°
C19C20C25C24176.7°180.0°
C19C20C25F14.5°0.0°
C19C20C21H172.9°0.0°
C20C25C24C231.6°0.0°
C20C25C24F1178.8°180.0°
C25C20C21H17177.3°179.8°
C20C25C24H19178.4°180.0°
C23C24C25H19180.0°180.0°
C23C24C25F1179.6°180.0°
C24C23C22H18178.3°179.8°
C25C24C23H23178.7°180.0°
F1C25C24H190.4°0.0°
H1C1C2H355.8°66.5°
H1C1C2H4174.9°53.6°
H2C1C2H365.2°53.9°
H2C1C2H453.9°174.0°
H5C3C4H749.0°174.2°
H5C3C4H8169.7°53.6°
H6C3C4H769.8°54.1°
H6C3C4H850.9°66.5°
H11C9C10H121.6°0.1°
H12C10C11H130.1°0.0°
H13C11C12H212.2°0.1°
H14C14C15H150.4°0.3°
H16C18C17H221.0°0.1°
H17C21C22H182.4°0.1°
H18C22C23H231.7°0.1°
H19C24C23H231.3°0.0°

248335

PDB entries from 2026-01-28

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