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KIQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C20doub1.34Å1.36Å
C4C5sing1.48Å1.46Å
C4C3sing1.50Å1.51Å
C5N7sing1.39Å1.35Å
C5Odoub1.23Å1.22Å
C8C9sing1.53Å1.53Å
C8N7sing1.48Å1.48Å
C8H81sing1.10Å1.10Å
C8H82sing1.09Å1.10Å
C15C16sing1.47Å1.50Å
C15N10sing1.35Å1.34ÅAromatic
C15N14doub1.32Å1.34ÅAromatic
C20C21sing1.50Å1.52Å
C20H20sing1.09Å1.08Å
C21C22sing1.55Å1.53Å
C21H211sing1.10Å1.10Å
C21H212sing1.10Å1.10Å
C22C23sing1.52Å1.48Å
C22Csing1.55Å1.53Å
C22H22sing1.10Å1.10Å
C24C25sing1.40Å1.39ÅAromatic
C24C23doub1.39Å1.39ÅAromatic
C24H24sing1.09Å1.08Å
F31C30sing1.34Å1.33Å
C30C29doub1.39Å1.39ÅAromatic
C30C23sing1.39Å1.38ÅAromatic
C29C27sing1.40Å1.39ÅAromatic
C29H29sing1.09Å1.08Å
C27F28sing1.34Å1.35Å
C27C25doub1.39Å1.38ÅAromatic
C25F26sing1.34Å1.34Å
CNsing1.47Å1.45Å
CC3sing1.54Å1.52Å
CHsing1.10Å1.10Å
NHN1sing0.99Å1.00Å
NHN2sing0.99Å1.00Å
C3H31sing1.10Å1.10Å
C3H32sing1.10Å1.10Å
N7C12sing1.47Å1.47Å
C12C11sing1.49Å1.50Å
C12H121sing1.10Å1.10Å
C12H122sing1.10Å1.10Å
C11N10sing1.37Å1.34ÅAromatic
C11N13doub1.32Å1.36ÅAromatic
N13N14sing1.38Å1.40ÅAromatic
C16F19sing1.37Å1.33Å
C16F18sing1.37Å1.33Å
C16Fsing1.37Å1.32Å
N10C9sing1.45Å1.47Å
C9H91sing1.10Å1.10Å
C9H92sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20C4C5121.7°117.7°
C20C4C3121.6°123.9°
C4C20C21123.1°122.7°
C4C20H20118.5°120.4°
C5C4C3116.8°118.4°
C4C5N7121.2°117.6°
C4C5O116.7°117.8°
C4C3C110.1°112.8°
C4C3H31109.3°107.9°
C4C3H32109.1°109.8°
N7C5O122.1°124.6°
C5N7C8123.8°126.1°
C5N7C12119.0°118.9°
C9C8N7111.9°109.8°
C9C8H81108.7°110.8°
C9C8H82108.1°110.2°
C8C9N10110.9°110.4°
C8C9H91109.0°110.9°
C8C9H92108.7°111.2°
N7C8H81108.7°107.0°
N7C8H82108.1°111.5°
C8N7C12117.0°114.9°
H81C8H82111.4°107.5°
C16C15N10125.8°123.8°
C16C15N14119.9°127.1°
C15C16F19110.0°114.3°
C15C16F18111.8°114.3°
C15C16F106.2°113.4°
N10C15N14114.3°109.1°
C15N10C11104.6°106.8°
C15N10C9130.6°128.9°
C15N14N13103.2°107.8°
C21C20H20118.5°116.9°
C20C21C22111.3°113.8°
C20C21H211108.8°108.1°
C20C21H212108.4°109.0°
C22C21H211108.9°110.3°
C22C21H212108.5°109.0°
C21C22C23110.7°110.1°
C21C22C108.9°110.5°
C21C22H22110.0°108.0°
H211C21H212110.9°106.5°
C23C22C112.4°114.1°
C23C22H22106.4°105.5°
C22C23C24121.4°119.6°
C22C23C30119.8°119.9°
CC22H22108.3°108.3°
C22CN113.8°111.4°
C22CC3107.6°110.6°
C22CH107.7°108.9°
C25C24C23120.1°119.7°
C25C24H24120.0°119.5°
C24C25C27120.8°120.0°
C24C25F26120.3°120.0°
C23C24H24119.9°120.8°
C24C23C30118.8°120.5°
F31C30C29118.9°119.6°
F31C30C23119.9°120.6°
C29C30C23121.1°119.7°
C30C29C27120.0°120.0°
C30C29H29120.0°120.0°
C27C29H29120.0°120.0°
C29C27F28121.1°120.0°
C29C27C25119.1°120.0°
F28C27C25119.8°120.0°
C27C25F26118.9°120.0°
NCC3109.2°109.4°
NCH106.1°107.4°
CNHN1109.5°117.8°
CNHN2109.4°117.8°
C3CH112.5°109.1°
CC3H31109.3°110.2°
CC3H32109.1°109.0°
HN1NHN2109.5°122.9°
H31C3H32109.9°106.9°
N7C12C11110.5°110.3°
N7C12H121109.1°110.6°
N7C12H122108.9°107.4°
C11C12H121109.1°110.2°
C11C12H122108.9°110.1°
C12C11N10123.3°122.4°
C12C11N13126.6°128.9°
H121C12H122110.3°108.2°
N10C11N13110.1°108.7°
C11N10C9124.8°124.3°
C11N13N14107.7°107.6°
F19C16F18110.9°104.3°
F19C16F109.5°104.8°
F18C16F108.3°104.7°
N10C9H91109.0°106.5°
N10C9H92108.7°108.6°
H91C9H92110.6°109.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20C4C5C3178.4°179.2°
C20C4C5N754.7°90.0°
C20C4C5O127.2°89.5°
C4C20C21H20180.0°179.8°
C4C20C21C2216.3°12.9°
C4C20C21H211103.7°109.9°
C4C20C21H212135.5°134.7°
C20C4C3C25.4°15.4°
C20C4C3H31145.5°106.6°
C20C4C3H3294.3°137.2°
C4C5N7O178.0°179.5°
C4C5N7C85.1°4.2°
C5C4C20C21173.1°179.7°
C5C4C20H207.0°0.6°
C5C4C3C152.9°163.8°
C5C4C3H3132.9°74.2°
C5C4C3H3287.3°42.0°
C4C5N7C12179.6°179.5°
C3C4C5N7126.9°89.2°
C3C4C5O51.2°91.3°
C3C4C20C215.2°1.2°
C3C4C20H20174.8°178.6°
C4C3CC2256.1°44.6°
C4C3CN179.9°167.7°
C4C3CH31120.0°120.7°
C4C3CH32119.7°122.3°
C4C3CH62.4°75.1°
C4C3H31H32119.7°118.1°
C5N7C8C9128.6°121.2°
C5N7C8C12175.3°176.5°
C5N7C8H818.5°118.5°
C5N7C8H82112.5°1.3°
C5N7C12C11145.1°139.7°
C5N7C12H12125.1°17.6°
C5N7C12H12295.3°100.3°
OC5N7C8172.8°176.4°
OC5N7C122.4°0.0°
C9C8N7H81120.0°120.3°
C9C8N7H82119.0°122.4°
C9C8H81H82119.0°120.4°
C8C9N10C15165.5°162.3°
C9C8N7C1256.1°62.4°
C8C9N10C1115.2°19.5°
C8C9N10H91120.0°120.4°
C8C9N10H92119.4°122.1°
C8C9H91H92119.4°122.9°
N7C8H81H82119.0°119.8°
C8N7C12C1139.3°43.5°
C8N7C12H121159.3°165.7°
C8N7C12H12280.3°76.5°
N7C8C9N1040.6°46.8°
N7C8C9H9179.4°70.9°
N7C8C9H92160.1°167.4°
H81C8N7C12176.1°58.0°
H81C8C9N10160.7°71.2°
H81C8C9H9140.7°171.1°
H81C8C9H9279.9°49.3°
H82C8N7C1262.9°175.2°
H82C8C9N1078.3°170.0°
H82C8C9H91161.7°52.2°
H82C8C9H9241.1°69.5°
C16C15N10N14179.5°179.6°
C16C15N10C11179.5°179.5°
C16C15N14N13179.6°179.6°
C15C16F19F18124.2°125.5°
C15C16F19F116.3°124.7°
C15C16F18F116.6°124.6°
C16C15N10C91.1°1.0°
C15N10C11C12179.6°179.0°
C15N10C11C9179.4°178.5°
C15N10C11N130.0°0.2°
N10C15N14N130.1°0.1°
N10C15C16F1982.9°179.5°
N10C15C16F1840.8°59.4°
N10C15C16F158.7°60.5°
C15N10C9H9174.4°77.3°
C15N10C9H9246.2°40.2°
N14C15N10C110.0°0.2°
C15N14N13C110.1°0.1°
N14C15C16F1997.6°0.1°
N14C15C16F18138.7°120.1°
N14C15C16F20.8°120.0°
N14C15N10C9179.4°178.6°
C20C21C22H211120.0°121.6°
C20C21C22H212119.2°121.8°
C20C21H211H212119.2°117.0°
C20C21C22C23171.5°169.1°
C20C21C22C47.4°42.2°
C20C21C22H2271.2°76.2°
H20C20C21C22163.7°167.4°
H20C20C21H21176.3°69.8°
H20C20C21H21244.4°45.5°
C22C21H211H212119.3°118.1°
C21C22C23C122.1°124.9°
C21C22C23H22119.5°116.3°
C21C22CH22119.6°118.2°
C21C22C23C2444.1°63.6°
C21C22C23C30136.1°116.3°
C21C22CN169.8°179.8°
C21C22CC369.1°58.4°
C21C22CH52.4°61.4°
H211C21C22C2351.5°47.6°
H211C21C22C72.6°79.4°
H211C21C22H22168.8°162.3°
H212C21C22C2369.3°69.0°
H212C21C22C166.6°164.1°
H212C21C22H2248.0°45.7°
C23C22CH22117.2°117.1°
C22C23C24C25179.9°180.0°
C22C23C24C30179.8°179.9°
C22C23C24H240.1°0.1°
C22C23C30F310.4°0.0°
C22C23C30C29179.7°179.9°
C23C22CN46.7°55.0°
C23C22CC3167.8°176.9°
C23C22CH70.7°63.3°
CC22C23C2478.0°61.3°
CC22C23C30101.8°118.8°
C22CNC3120.2°122.5°
C22CNH118.3°119.2°
C22CC3H118.5°119.7°
C22CNHN152.4°28.6°
C22CNHN267.6°138.0°
C22CC3H31176.1°76.1°
C22CC3H3263.6°166.9°
H22C22C23C24163.6°180.0°
H22C22C23C3016.6°0.1°
H22C22CN70.6°62.1°
H22C22CC350.6°59.8°
H22C22CH172.1°179.6°
C25C24C23H24180.0°179.9°
C25C24C23C300.2°0.1°
C24C25C27C290.4°0.0°
C24C25C27F28179.3°180.0°
C24C25C27F26179.9°180.0°
C24C23C30F31179.3°179.9°
C24C23C30C290.5°0.0°
C23C24C25C270.1°0.0°
C23C24C25F26179.8°179.9°
H24C24C23C30179.8°180.0°
H24C24C25C27179.9°180.0°
H24C24C25F260.2°0.0°
F31C30C29C23179.9°180.0°
F31C30C29C27179.1°180.0°
F31C30C29H291.0°0.0°
C30C29C27H29180.0°180.0°
C30C29C27F28179.0°180.0°
C30C29C27C250.7°0.0°
C23C30C29C270.8°0.0°
C23C30C29H29179.2°180.0°
C29C27F28C25179.7°180.0°
C29C27C25F26179.5°180.0°
H29C29C27F281.1°0.0°
H29C29C27C25179.3°180.0°
F28C27C25F260.8°0.1°
NCC3H117.5°117.2°
CNHN1HN2120.0°165.9°
NCC3H3159.9°47.0°
NCC3H3260.4°70.0°
C3CNHN1172.6°94.0°
C3CNHN252.6°99.4°
CC3H31H32119.8°118.3°
HCNHN165.9°147.8°
HCNHN2174.1°18.8°
HCC3H3157.6°164.2°
HCC3H32177.9°47.2°
N7C12C11H121120.0°122.4°
N7C12C11H122119.6°118.4°
N7C12H121H122119.6°117.4°
N7C12C11N1011.1°13.1°
N7C12C11N13168.5°168.4°
C11C12H121H122119.6°120.4°
C12C11N10N13179.6°178.8°
C12C11N13N14179.7°178.8°
C12C11N10C90.2°2.5°
H121C12C11N10131.1°135.5°
H121C12C11N1348.5°46.0°
H122C12C11N10108.5°105.2°
H122C12C11N1371.9°73.3°
N10C11N13N140.1°0.2°
C11N10C9H91104.8°100.9°
C11N10C9H92134.6°141.6°
N13C11N10C9179.4°178.8°
F19C16F18F120.2°109.8°
N10C9H91H92119.4°117.1°

223532

PDB entries from 2024-08-07

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