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A1A1R

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15N4sing1.47Å1.47Å
N4C13sing1.47Å1.49Å
N4C12sing1.47Å1.48Å
C13C14sing1.53Å1.54Å
C12C11sing1.53Å1.54Å
C14C10sing1.53Å1.54Å
C11C10sing1.53Å1.54Å
C10N2sing1.47Å1.47Å
N3N2sing1.40Å1.38ÅAromatic
N3C9doub1.31Å1.34ÅAromatic
N2C8sing1.35Å1.36ÅAromatic
C9C7sing1.41Å1.43ÅAromatic
C8C7doub1.37Å1.36ÅAromatic
C7C6sing1.48Å1.43Å
C6C5doub1.36Å1.37ÅAromatic
C6N1sing1.38Å1.39ÅAromatic
C5C4sing1.46Å1.44ÅAromatic
N1C3sing1.37Å1.36ÅAromatic
C18N6sing1.47Å1.46Å
C4C3doub1.41Å1.43ÅAromatic
C4Csing1.40Å1.43ÅAromatic
C3Nsing1.33Å1.34ÅAromatic
CN6sing1.37Å1.41Å
CC1doub1.41Å1.43ÅAromatic
N6C17sing1.46Å1.46Å
NC2doub1.32Å1.34ÅAromatic
C17N5sing1.46Å1.46Å
C1C2sing1.39Å1.41ÅAromatic
C1C16sing1.47Å1.46Å
N5C16sing1.35Å1.34Å
N5C19sing1.40Å1.43Å
C16Odoub1.22Å1.23Å
CLC24sing1.74Å1.73Å
C19C24doub1.39Å1.40ÅAromatic
C19C20sing1.39Å1.40ÅAromatic
CL1C20sing1.74Å1.70Å
C24C23sing1.38Å1.40ÅAromatic
C20C21doub1.38Å1.42ÅAromatic
C23C22doub1.38Å1.40ÅAromatic
C21C22sing1.38Å1.40ÅAromatic
N1HN1sing0.97Å1.00Å
C5HC5sing1.08Å1.08Å
C8HC8sing1.08Å1.08Å
C10HC10sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H153sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C21HC21sing1.08Å1.08Å
C22HC22sing1.08Å1.08Å
C23HC23sing1.08Å1.08Å
C18H181sing1.09Å1.10Å
C18H183sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C2HC2sing1.08Å1.08Å
C9HC9sing1.08Å1.08Å
C14H142sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15N4C13112.8°111.0°
C15N4C12111.5°111.0°
N4C15H152109.5°109.4°
N4C15H151109.5°109.5°
N4C15H153109.5°109.5°
C13N4C12112.7°111.2°
N4C13C14111.0°109.5°
N4C13H132109.1°109.5°
N4C13H131109.1°109.5°
N4C12C11110.1°109.5°
N4C12H121109.3°109.5°
N4C12H122109.3°109.5°
C13C14C10110.8°109.3°
C14C13H132109.1°109.5°
C14C13H131109.1°109.5°
C13C14H142109.1°109.5°
C13C14H141109.2°109.5°
C12C11C10108.2°109.2°
C11C12H121109.3°109.4°
C11C12H122109.4°109.5°
C12C11H112109.8°109.5°
C12C11H111109.8°109.5°
C14C10C11112.4°109.2°
C14C10N2112.9°109.5°
C14C10HC10106.9°109.5°
C10C14H142109.1°109.6°
C10C14H141109.1°109.5°
C11C10N2109.6°109.5°
C11C10HC10107.0°109.5°
C10C11H112109.8°109.5°
C10C11H111109.8°109.5°
C10N2N3120.0°125.9°
C10N2C8127.6°125.8°
N2C10HC10107.8°109.5°
N2N3C9104.3°108.6°
N3N2C8112.4°108.3°
N3C9C7110.6°108.1°
N3C9HC9124.7°125.9°
N2C8C7106.5°107.6°
N2C8HC8126.7°126.2°
C9C7C8106.3°107.5°
C9C7C6127.3°126.2°
C7C9HC9124.7°126.0°
C8C7C6126.4°126.3°
C7C8HC8126.8°126.2°
C7C6C5131.2°125.2°
C7C6N1119.4°125.2°
C5C6N1109.4°109.5°
C6C5C4106.5°106.7°
C6C5HC5126.8°126.6°
C6N1C3109.8°110.0°
C6N1HN1125.1°125.0°
C5C4C3107.3°106.5°
C5C4C137.0°134.3°
C4C5HC5126.8°126.6°
N1C3C4107.0°107.2°
N1C3N125.1°132.4°
C3N1HN1125.1°125.0°
C18N6C119.3°110.9°
C18N6C17118.4°111.0°
N6C18H181109.5°109.4°
N6C18H183109.5°109.5°
N6C18H182109.5°109.5°
C3C4C115.6°119.2°
C4C3N127.9°120.4°
C4CN6124.4°122.3°
C4CC1117.2°117.7°
C3NC2115.0°122.3°
N6CC1118.4°119.9°
CN6C17114.9°112.5°
CC1C2120.2°119.6°
CC1C16120.8°118.3°
N6C17N5112.4°111.4°
N6C17H172108.7°109.2°
N6C17H171108.7°108.9°
NC2C1124.1°120.8°
NC2HC2118.0°119.6°
C17N5C16120.0°119.7°
C17N5C19119.4°120.1°
N5C17H172108.7°109.1°
N5C17H171108.7°109.2°
C2C1C16118.9°122.1°
C1C2HC2117.9°119.6°
C1C16N5116.9°117.2°
C1C16O119.7°121.4°
C16N5C19119.6°120.1°
N5C16O123.4°121.4°
N5C19C24120.5°120.1°
N5C19C20119.8°120.1°
CLC24C19121.1°120.0°
CLC24C23119.0°120.1°
C24C19C20119.7°119.8°
C19C24C23119.9°119.9°
C19C20CL1120.9°120.0°
C19C20C21119.9°119.9°
CL1C20C21119.1°120.0°
C24C23C22121.0°120.1°
C24C23HC23119.5°119.9°
C20C21C22119.9°120.1°
C20C21HC21120.0°120.0°
C23C22C21119.5°120.2°
C23C22HC22120.2°119.9°
C22C23HC23119.5°120.0°
C22C21HC21120.1°120.0°
C21C22HC22120.3°119.9°
H132C13H131109.5°109.4°
H152C15H151109.4°109.5°
H152C15H153109.5°109.5°
H151C15H153109.5°109.5°
H172C17H171109.5°109.1°
H181C18H183109.5°109.4°
H181C18H182109.4°109.5°
H183C18H182109.5°109.5°
H142C14H141109.4°109.5°
H121C12H122109.5°109.4°
H112C11H111109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15N4C13C12127.4°124.0°
C15N4C13C14175.6°174.2°
C15N4C12C11170.2°174.1°
C15N4C13H13264.2°54.1°
C15N4C13H13155.3°65.8°
N4C15H152H151120.0°120.0°
N4C15H152H153120.0°120.0°
N4C15H151H153120.0°120.0°
C15N4C12H12150.2°54.2°
C15N4C12H12269.7°65.8°
N4C13C14H132120.2°120.0°
N4C13C14H131120.3°120.0°
C13N4C12C1161.7°61.8°
N4C13C14C1051.2°59.2°
N4C13H132H131119.3°120.0°
C13N4C15H152180.0°60.0°
C13N4C15H15160.0°180.0°
C13N4C15H15360.0°60.0°
N4C13C14H142171.4°60.8°
N4C13C14H14169.0°179.1°
C13N4C12H121178.2°178.2°
C13N4C12H12258.4°58.2°
C12N4C13C1457.0°61.8°
N4C12C11H121120.1°120.0°
N4C12C11H122120.1°120.1°
N4C12C11C1059.4°59.2°
C12N4C13H13263.2°178.2°
C12N4C13H131177.2°58.2°
C12N4C15H15252.0°64.1°
C12N4C15H151172.0°55.8°
C12N4C15H15368.0°175.8°
N4C12H121H122119.7°120.0°
N4C12C11H11260.4°179.1°
N4C12C11H111179.2°60.7°
C13C14C10H142120.2°120.0°
C13C14C10H141120.2°119.9°
C13C14C10C1152.5°57.6°
C13C14C10N2177.0°177.6°
C13C14C10HC1064.6°62.3°
C14C13H132H131119.3°120.0°
C13C14H142H141119.4°120.0°
C12C11C10C1456.0°57.6°
C12C11C10H112119.8°119.9°
C12C11C10H111119.8°119.9°
C12C11C10N2177.7°177.6°
C12C11C10HC1061.1°62.3°
C11C12H121H122119.8°120.0°
C12C11H112H111120.6°120.1°
C14C10C11N2126.3°119.9°
C14C10C11HC10117.1°120.0°
C14C10N2HC10117.8°120.1°
C14C10N2N349.9°95.1°
C14C10N2C8130.4°84.9°
C10C14C13H13269.0°179.2°
C10C14C13H131171.5°60.9°
C10C14H142H141119.4°120.2°
C14C10C11H11263.8°177.6°
C14C10C11H111175.8°62.3°
C11C10N2HC10116.1°120.1°
C11C10N2N376.2°145.2°
C11C10N2C8103.6°34.9°
C11C10C14H142172.7°62.3°
C11C10C14H14167.8°177.5°
C10C11C12H121179.5°179.2°
C10C11C12H12260.7°60.9°
C10C11H112H111120.6°120.1°
C10N2N3C8179.8°179.9°
C10N2N3C9179.1°180.0°
C10N2C8C7179.6°180.0°
C10N2C8HC80.4°0.1°
N2C10C14H14262.8°57.6°
N2C10C14H14156.8°62.5°
N2C10C11H11262.5°62.5°
N2C10C11H11157.9°57.7°
N2N3C9C70.9°0.0°
N3N2C8C70.2°0.0°
N3N2C8HC8179.8°180.0°
N3N2C10HC10167.7°25.1°
N2N3C9HC9179.1°179.9°
C9N3N2C80.7°0.1°
N3C9C7HC9180.0°179.9°
N3C9C7C80.9°0.0°
N3C9C7C6179.6°179.9°
N2C8C7C90.4°0.0°
N2C8C7HC8180.0°180.0°
N2C8C7C6180.0°180.0°
C8N2C10HC1012.5°155.0°
C9C7C8C6179.6°180.0°
C9C7C6C53.1°0.1°
C9C7C6N1175.1°180.0°
C9C7C8HC8179.6°180.0°
C8C7C6C5177.4°179.9°
C8C7C6N14.4°0.1°
C8C7C9HC9179.1°179.9°
C7C6C5N1178.3°179.9°
C7C6C5C4178.9°179.7°
C7C6N1C3179.3°179.9°
C7C6N1HN10.8°0.4°
C7C6C5HC51.1°0.0°
C6C7C8HC80.0°0.1°
C6C7C9HC90.4°0.1°
C6C5C4HC5180.0°179.7°
C5C6N1C30.7°0.0°
C6C5C4C30.3°0.3°
C6C5C4C179.7°179.9°
C5C6N1HN1179.3°179.7°
N1C6C5C40.6°0.2°
C6N1C3HN1180.0°179.7°
C6N1C3C40.5°0.2°
C6N1C3N179.9°179.7°
N1C6C5HC5179.4°179.9°
C5C4C3N10.1°0.3°
C5C4C3C179.9°179.6°
C5C4C3N179.7°179.6°
C5C4CN62.7°0.0°
C5C4CC1179.0°179.8°
N1C3C4N179.6°179.9°
N1C3C4C179.8°179.9°
N1C3NC2178.0°179.8°
C18N6CC47.4°90.4°
C18N6CC17149.6°125.0°
C18N6CC1174.3°89.5°
C18N6C17N5164.3°72.2°
C18N6C17H17243.8°48.3°
C18N6C17H17175.3°167.3°
N6C18H181H183120.0°120.0°
N6C18H181H182120.0°120.0°
N6C18H183H182120.0°120.0°
C3C4CN6177.4°179.6°
C3C4CC10.9°0.3°
C4C3NC21.6°0.2°
C4C3N1HN1179.5°179.9°
C3C4C5HC5179.7°180.0°
CC4C3N0.2°0.0°
C4CN6C1178.3°179.8°
C4CN6C17157.0°144.6°
C4CC1C20.2°0.4°
C4CC1C16175.8°179.6°
CC4C5HC50.2°0.4°
C3NC2C12.8°0.2°
NC3N1HN10.1°0.0°
C3NC2HC2177.2°179.9°
CN6C17N545.9°52.7°
N6CC1C2178.6°179.5°
N6CC1C162.6°0.6°
CN6C17H172166.3°173.3°
CN6C17H17174.6°67.7°
CN6C18H181180.0°178.0°
CN6C18H18360.0°58.1°
CN6C18H18260.0°61.9°
C1CN6C1724.7°35.5°
CC1C2N2.2°0.2°
CC1C2C16176.1°179.9°
CC1C16N57.5°16.9°
CC1C16O171.6°163.2°
CC1C2HC2177.8°179.8°
N6C17N5H172120.4°120.6°
N6C17N5H171120.4°120.3°
N6C17N5C1642.7°37.0°
N6C17N5C19148.8°143.0°
N6C17H172H171118.7°118.9°
C17N6C18H18131.4°56.1°
C17N6C18H183151.5°176.0°
C17N6C18H18288.5°63.9°
NC2C1HC2180.0°180.0°
NC2C1C16173.8°179.8°
C17N5C16C115.9°2.7°
C17N5C16C19168.5°180.0°
C17N5C16O165.1°177.2°
C17N5C19C2458.0°90.0°
C17N5C19C20123.3°89.5°
N5C17H172H171118.6°119.2°
C2C1C16N5176.4°163.0°
C2C1C16O4.5°16.8°
C1C16N5O179.1°179.9°
C1C16N5C19175.6°177.2°
C16C1C2HC26.2°0.2°
C16N5C19C24110.6°89.9°
C16N5C19C2068.1°90.5°
C16N5C17H172163.1°157.5°
C16N5C17H17177.7°83.3°
C19N5C16O3.4°2.9°
N5C19C24CL0.4°0.3°
N5C19C24C20178.7°179.5°
N5C19C20CL12.4°0.3°
N5C19C24C23178.3°180.0°
N5C19C20C21178.2°180.0°
C19N5C17H17228.4°22.4°
C19N5C17H17190.8°96.7°
CLC24C19C23177.9°179.7°
CLC24C19C20178.3°179.8°
CLC24C23C22178.3°180.0°
CLC24C23HC231.8°0.3°
C24C19C20CL1178.9°179.8°
C24C19C20C210.5°0.5°
C19C24C23C220.3°0.3°
C19C24C23HC23179.7°180.0°
C19C20CL1C21179.4°179.7°
C20C19C24C230.4°0.5°
C19C20C21C220.5°0.2°
C19C20C21HC21179.5°179.8°
CL1C20C21C22178.9°180.0°
CL1C20C21HC211.1°0.0°
C24C23C22HC23180.0°179.7°
C24C23C22C210.3°0.1°
C24C23C22HC22179.7°180.0°
C20C21C22C230.4°0.0°
C20C21C22HC21180.0°180.0°
C20C21C22HC22179.6°180.0°
C23C22C21HC22180.0°180.0°
C23C22C21HC21179.6°180.0°
C21C22C23HC23179.7°179.7°
HC10C10C14H14255.6°177.7°
HC10C10C14H141175.1°57.6°
HC10C10C11H112179.1°57.6°
HC10C10C11H11158.7°177.8°
H132C13C14H14251.2°59.2°
H132C13C14H141170.7°60.8°
H131C13C14H14268.4°179.1°
H131C13C14H14151.2°59.1°
H152C15H151H153120.0°120.1°
HC21C21C22HC220.4°0.0°
HC22C22C23HC230.3°0.3°
H181C18H183H182120.0°120.0°
H121C12C11H11259.7°60.9°
H121C12C11H11160.7°59.3°
H122C12C11H112179.5°59.0°
H122C12C11H11159.2°179.2°

248335

PDB entries from 2026-01-28

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