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KHH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.33Å1.29Å
C2C3sing1.48Å1.48Å
C3C4doub1.40Å1.40ÅAromatic
C3C22sing1.40Å1.40ÅAromatic
O4C22sing1.36Å1.37Å
C4C5sing1.38Å1.36ÅAromatic
C22C21doub1.39Å1.39ÅAromatic
C5F1sing1.35Å1.35Å
C5C6doub1.39Å1.37ÅAromatic
C21C6sing1.38Å1.39ÅAromatic
C6C7sing1.51Å1.51Å
C7N1sing1.47Å1.46Å
N1C20sing1.47Å1.46Å
N1C8sing1.47Å1.47Å
C20C19sing1.53Å1.47Å
C8C9sing1.53Å1.54Å
C19F2sing1.40Å1.39Å
C19C10sing1.53Å1.50Å
C9C10sing1.53Å1.55Å
C11C10sing1.53Å1.46Å
C11C12sing1.47Å1.45Å
C10N3sing1.47Å1.43Å
C12N2trip1.14Å1.14Å
N3N6sing1.40Å1.37ÅAromatic
N3C13sing1.34Å1.37ÅAromatic
N6C16doub1.31Å1.31ÅAromatic
C13C14doub1.38Å1.38ÅAromatic
O2C17doub1.22Å1.22Å
C16C14sing1.42Å1.41ÅAromatic
C16N5sing1.40Å1.39Å
C14C15sing1.47Å1.49Å
C17N5sing1.35Å1.36Å
C17O3sing1.35Å1.33Å
C18O3sing1.45Å1.45Å
C15N4sing1.35Å1.32Å
C15O1doub1.22Å1.22Å
C7H1sing1.09Å1.10Å
C7H2sing1.09Å1.10Å
C9H3sing1.09Å1.10Å
C9H4sing1.09Å1.10Å
C11H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C18H7sing1.09Å1.10Å
C18H8sing1.09Å1.10Å
C18H9sing1.09Å1.10Å
C19H10sing1.09Å1.10Å
C13H11sing1.08Å1.08Å
C4H12sing1.08Å1.08Å
C2H13sing1.08Å1.08Å
C1H14sing1.08Å1.08Å
C1H15sing1.08Å1.08Å
C21H16sing1.08Å1.08Å
C8H18sing1.09Å1.10Å
C8H19sing1.09Å1.10Å
N4H20sing0.97Å1.00Å
N4H21sing0.97Å1.00Å
N5H22sing0.97Å1.00Å
C20H23sing1.09Å1.10Å
C20H24sing1.09Å1.10Å
O4H25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3126.5°120.0°
C1C2H13116.8°120.0°
C2C1H14120.0°120.0°
C2C1H15120.0°120.0°
C2C3C4118.9°120.2°
C2C3C22122.3°120.2°
C3C2H13116.7°120.0°
C4C3C22118.8°119.7°
C3C4C5119.2°119.9°
C3C4H12120.4°120.0°
C3C22O4120.1°120.1°
C3C22C21119.8°119.8°
O4C22C21119.9°120.1°
C22O4H25109.5°114.0°
C4C5F1118.6°119.9°
C4C5C6123.7°120.2°
C5C4H12120.4°120.1°
C22C21C6120.7°120.1°
C22C21H16119.7°120.0°
F1C5C6117.3°119.9°
C5C6C21117.2°120.3°
C5C6C7119.8°119.8°
C21C6C7121.5°119.8°
C6C21H16119.6°119.9°
C6C7N1119.3°109.4°
C6C7H1106.9°109.5°
C6C7H2107.0°109.5°
C7N1C20118.1°111.0°
C7N1C8120.9°111.0°
N1C7H1107.0°109.5°
N1C7H2107.0°109.5°
C20N1C8119.6°111.2°
N1C20C19111.6°109.5°
N1C20H23108.9°109.5°
N1C20H24109.0°109.5°
N1C8C9114.1°109.5°
N1C8H18108.3°109.5°
N1C8H19108.3°109.5°
C20C19F2112.9°109.5°
C20C19C10116.6°109.3°
C20C19H10104.2°109.6°
C19C20H23108.9°109.4°
C19C20H24108.9°109.5°
C8C9C10114.9°109.3°
C8C9H3108.1°109.5°
C8C9H4108.1°109.5°
C9C8H18108.3°109.4°
C9C8H19108.3°109.4°
F2C19C10112.6°109.5°
F2C19H10105.1°109.5°
C19C10C9101.6°109.1°
C19C10C11116.0°109.6°
C19C10N3111.3°109.5°
C10C19H10103.9°109.5°
C9C10C11108.6°109.5°
C9C10N3107.3°109.5°
C10C9H3108.1°109.5°
C10C9H4108.1°109.6°
C10C11C12115.7°109.4°
C11C10N3111.3°109.5°
C10C11H5107.9°109.5°
C10C11H6107.9°109.5°
C11C12N2177.5°179.9°
C12C11H5107.9°109.5°
C12C11H6107.9°109.4°
C10N3N6118.0°125.7°
C10N3C13132.2°125.7°
N6N3C13109.7°108.6°
N3N6C16107.3°108.9°
N3C13C14107.1°107.6°
N3C13H11126.5°126.2°
N6C16C14110.6°107.9°
N6C16N5122.5°126.1°
C13C14C16105.3°107.1°
C13C14C15128.7°126.4°
C14C13H11126.4°126.2°
O2C17N5126.2°120.0°
O2C17O3126.7°120.0°
C14C16N5126.9°126.0°
C16C14C15126.0°126.5°
C16N5C17125.7°120.0°
C16N5H22117.2°120.0°
C14C15N4117.9°120.0°
C14C15O1121.5°120.0°
N5C17O3107.0°120.0°
C17N5H22117.2°120.0°
C17O3C18117.1°117.0°
O3C18H7109.5°109.4°
O3C18H8109.5°109.5°
O3C18H9109.5°109.5°
N4C15O1120.6°120.0°
C15N4H20120.0°120.0°
C15N4H21120.0°120.0°
H1C7H2109.5°109.5°
H3C9H4109.5°109.5°
H5C11H6109.5°109.5°
H7C18H8109.5°109.4°
H7C18H9109.5°109.5°
H8C18H9109.4°109.5°
H14C1H15120.0°120.0°
H18C8H19109.4°109.5°
H20N4H21120.0°120.0°
H23C20H24109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3H13180.0°179.9°
C1C2C3C46.5°0.0°
C1C2C3C22174.7°180.0°
C2C1H14H15180.0°180.0°
C2C3C4C22178.9°180.0°
C2C3C22O42.5°0.0°
C2C3C4C5179.0°179.9°
C2C3C22C21178.9°179.7°
C2C3C4H121.0°0.0°
C3C2C1H14180.0°180.0°
C3C2C1H150.0°0.0°
C4C3C22O4178.6°180.0°
C3C4C5H12180.0°180.0°
C4C3C22C212.2°0.3°
C3C4C5F1178.4°179.9°
C3C4C5C66.1°0.1°
C4C3C2H13173.6°180.0°
C3C22O4C21176.4°179.7°
C22C3C4C50.1°0.0°
C3C22C21C61.6°0.5°
C22C3C4H12179.9°180.0°
C22C3C2H135.3°0.0°
C3C22C21H16178.4°179.7°
C3C22O4H25180.0°90.0°
O4C22C21C6174.8°179.7°
O4C22C21H165.2°0.0°
C4C5F1C6172.7°179.9°
C4C5C6C219.7°0.3°
C4C5C6C7176.2°180.0°
C22C21C6C57.3°0.6°
C22C21C6H16180.0°179.7°
C22C21C6C7173.5°179.8°
C21C22O4H253.6°89.7°
F1C5C6C21177.9°179.8°
F1C5C6C711.5°0.1°
F1C5C4H121.6°0.1°
C5C6C21C7166.2°179.7°
C5C6C7N1100.6°74.8°
C5C6C7H1138.0°165.2°
C5C6C7H220.8°45.2°
C6C5C4H12173.9°179.9°
C5C6C21H16172.7°179.7°
C21C6C7N193.5°105.5°
C21C6C7H127.9°14.4°
C21C6C7H2145.1°134.5°
C6C7N1H1121.4°120.0°
C6C7N1H2121.4°120.0°
C6C7N1C20150.1°164.2°
C6C7N1C843.3°71.6°
C6C7H1H2115.5°120.0°
C7C6C21H166.5°0.1°
C7N1C20C8166.8°124.0°
C7N1C20C19158.7°174.2°
C7N1C8C9163.7°174.2°
N1C7H1H2115.6°120.0°
C7N1C8H1843.0°65.8°
C7N1C8H1975.6°54.2°
C7N1C20H2381.0°54.1°
C7N1C20H2438.3°65.8°
N1C20C19H23120.3°120.1°
N1C20C19H24120.3°120.1°
C20N1C8C929.9°61.8°
N1C20C19F277.5°60.8°
N1C20C19C1055.2°59.2°
C20N1C7H188.5°75.8°
C20N1C7H228.7°44.2°
N1C20C19H10169.0°179.1°
C20N1C8H18150.6°58.2°
C20N1C8H1990.8°178.3°
N1C20H23H24119.0°120.0°
C8N1C20C1934.6°61.8°
N1C8C9H18120.7°120.1°
N1C8C9H19120.7°120.0°
N1C8C9C1042.6°59.2°
C8N1C7H178.1°48.4°
C8N1C7H2164.7°168.4°
N1C8C9H378.2°179.2°
N1C8C9H4163.4°60.8°
N1C8H18H19117.9°120.1°
C8N1C20H2385.7°178.2°
C8N1C20H24154.9°58.2°
C20C19F2C10134.6°119.8°
C20C19F2H10113.0°120.1°
C20C19C10H10114.0°120.0°
C20C19C10C964.1°57.7°
C20C19C10C1153.4°62.3°
C20C19C10N3178.0°177.6°
C19C20H23H24119.0°119.9°
C8C9C10C1956.0°57.7°
C8C9C10H3120.8°119.9°
C8C9C10H4120.8°120.0°
C8C9C10C1166.8°62.3°
C8C9C10N3172.8°177.6°
C8C9H3H4117.5°120.1°
C9C8H18H19117.9°119.9°
F2C19C10H10113.2°120.0°
F2C19C10C968.7°62.3°
F2C19C10C11173.8°177.7°
F2C19C10N345.3°57.6°
F2C19C20H23162.2°59.3°
F2C19C20H2442.9°179.2°
C19C10C9C11122.7°120.0°
C19C10C9N3116.9°119.9°
C19C10C11N3128.5°120.2°
C19C10C11C12166.3°60.3°
C19C10N3N654.3°104.7°
C19C10N3C13129.3°75.7°
C19C10C9H364.9°177.6°
C19C10C9H4176.7°62.3°
C19C10C11H545.4°179.7°
C19C10C11H672.8°59.7°
C10C19C20H2365.1°179.3°
C10C19C20H24175.5°60.8°
C9C10C11N3117.9°120.1°
C9C10C11C1252.8°180.0°
C9C10N3N6164.7°15.0°
C9C10N3C1319.0°164.7°
C10C9H3H4117.5°120.1°
C9C10C11H568.1°60.0°
C9C10C11H6173.7°60.1°
C9C10C19H10178.1°177.7°
C10C9C8H18163.3°60.8°
C10C9C8H1978.1°179.2°
C10C11C12H5120.9°120.0°
C10C11C12H6120.9°120.0°
C10C11C12N2118.4°114.0°
C11C10N3N676.7°135.1°
C11C10N3C1399.7°44.5°
C11C10C9H3172.4°57.6°
C11C10C9H454.0°177.7°
C10C11H5H6117.2°120.0°
C11C10C19H1060.6°57.7°
C12C11C10N365.1°59.9°
C12C11H5H6117.2°120.0°
C10N3N6C13177.1°179.7°
C10N3N6C16177.6°180.0°
C10N3C13C14178.2°179.8°
N3C10C9H352.0°62.5°
N3C10C9H466.4°57.5°
N3C10C11H5174.0°60.1°
N3C10C11H655.8°179.8°
N3C10C19H1067.9°62.5°
C10N3C13H111.8°0.3°
N2C12C11H52.5°6.0°
N2C12C11H6120.7°126.1°
N6N3C13C141.6°0.5°
N3N6C16C140.8°0.0°
N3N6C16N5178.6°179.7°
N6N3C13H11178.4°180.0°
C13N3N6C160.5°0.3°
N3C13C14H11180.0°179.6°
N3C13C14C162.0°0.4°
N3C13C14C15178.7°179.5°
N6C16C14C131.7°0.3°
N6C16C14N5177.7°179.8°
N6C16C14C15178.9°179.7°
N6C16N5C1713.5°0.3°
N6C16N5H22166.6°179.7°
C13C14C16C15179.3°180.0°
C13C14C16N5179.4°180.0°
C13C14C15N41.4°0.0°
C13C14C15O1175.7°179.9°
O2C17N5C167.1°0.0°
O2C17N5O3176.4°180.0°
O2C17O3C182.4°0.0°
O2C17N5H22173.0°180.0°
C14C16N5C17164.0°180.0°
C16C14C15N4179.4°179.9°
C16C14C15O13.5°0.1°
C16C14C13H11178.0°180.0°
C14C16N5H2216.0°0.0°
N5C16C14C151.3°0.0°
C16N5C17H22180.0°180.0°
C16N5C17O3176.5°180.0°
C14C15N4O1177.2°180.0°
C15C14C13H111.3°0.0°
C14C15N4H20177.2°179.9°
C14C15N4H212.8°0.0°
N5C17O3C18178.9°180.0°
C17O3C18H7180.0°60.0°
C17O3C18H860.0°60.0°
C17O3C18H960.0°180.0°
O3C17N5H223.5°0.0°
O3C18H7H8120.0°120.0°
O3C18H7H9120.0°120.0°
O3C18H8H9120.0°120.1°
C15N4H20H21180.0°179.9°
O1C15N4H200.0°0.0°
O1C15N4H21180.0°179.9°
H3C9C8H1842.5°59.1°
H3C9C8H19161.1°60.9°
H4C9C8H1875.9°179.1°
H4C9C8H1942.7°59.2°
H7C18H8H9120.0°120.0°
H10C19C20H2348.7°60.8°
H10C19C20H2470.7°59.1°
H13C2C1H140.0°0.1°
H13C2C1H15180.0°180.0°

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