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YN4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NC7trip1.14Å1.13Å
C7C6sing1.47Å1.43Å
C6C5sing1.53Å1.52Å
C5Ssing1.81Å1.78Å
SC4sing1.76Å1.75Å
C4C8sing1.42Å1.46ÅAromatic
C4C3doub1.40Å1.46ÅAromatic
C8C23doub1.41Å1.47ÅAromatic
C8C9sing1.40Å1.39ÅAromatic
C23N4sing1.34Å1.35ÅAromatic
C23C22sing1.40Å1.38ÅAromatic
N4C24doub1.31Å1.35ÅAromatic
C24C3sing1.41Å1.38ÅAromatic
C3Csing1.47Å1.49Å
CO1sing1.35Å1.38Å
COdoub1.22Å1.21Å
O1C1sing1.45Å1.46Å
C1C2sing1.53Å1.52Å
C22C21doub1.36Å1.35ÅAromatic
C21C10sing1.40Å1.38ÅAromatic
C10C9doub1.38Å1.40ÅAromatic
C10O2sing1.36Å1.39Å
O2C11sing1.43Å1.48Å
C11C12sing1.51Å1.51Å
C12C20sing1.38Å1.42ÅAromatic
C12C13doub1.39Å1.38ÅAromatic
C20N3doub1.32Å1.34ÅAromatic
N3C15sing1.32Å1.38ÅAromatic
C15C14doub1.39Å1.38ÅAromatic
C15N1sing1.39Å1.37Å
C14C13sing1.38Å1.39ÅAromatic
N1C19sing1.47Å1.46Å
N1C16sing1.47Å1.46Å
C19C18sing1.53Å1.55Å
C18N2sing1.47Å1.47Å
N2C17sing1.47Å1.45Å
C17C16sing1.53Å1.52Å
C6H61Csing1.09Å1.10Å
C6H62Csing1.09Å1.10Å
C5H51Csing1.09Å1.10Å
C5H52Csing1.09Å1.10Å
C9H9sing1.08Å1.08Å
C22H22sing1.08Å1.08Å
C24H24sing1.08Å1.08Å
C1H11Csing1.09Å1.10Å
C1H12Csing1.09Å1.10Å
C2H21Csing1.09Å1.10Å
C2H22Csing1.09Å1.10Å
C2H23Csing1.09Å1.10Å
C21H21sing1.08Å1.08Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C20H20sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
N2H2sing1.01Å1.00Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NC7C6178.2°179.9°
C7C6C594.4°109.4°
C7C6H61C113.1°109.5°
C7C6H62C113.1°109.5°
C6C5S105.6°109.5°
C5C6H61C113.1°109.4°
C5C6H62C113.1°109.5°
C6C5H51C110.4°109.4°
C6C5H52C110.4°109.5°
C5SC4113.2°100.0°
SC5H51C110.4°109.5°
SC5H52C110.4°109.5°
SC4C8114.6°121.1°
SC4C3127.3°121.1°
C8C4C3118.0°117.8°
C4C8C23114.3°119.0°
C4C8C9123.5°121.1°
C4C3C24122.5°119.2°
C4C3C125.2°120.4°
C23C8C9122.2°119.8°
C8C23N4123.2°120.3°
C8C23C22117.6°119.2°
C8C9C10116.9°119.5°
C8C9H9121.6°120.2°
N4C23C22119.1°120.6°
C23N4C24123.3°122.0°
C23C22C21118.6°120.1°
C23C22H22120.7°119.9°
N4C24C3118.7°121.7°
N4C24H24120.7°119.2°
C24C3C112.3°120.4°
C3C24H24120.7°119.2°
C3CO1117.3°120.1°
C3CO122.0°120.0°
O1CO120.5°119.9°
CO1C1116.1°117.0°
O1C1C2108.1°109.4°
O1C1H11C109.8°109.5°
O1C1H12C109.8°109.5°
C2C1H11C109.8°109.5°
C2C1H12C109.8°109.4°
C1C2H21C109.5°109.5°
C1C2H22C109.5°109.5°
C1C2H23C109.4°109.4°
C22C21C10124.9°120.9°
C21C22H22120.7°120.0°
C22C21H21117.5°119.6°
C21C10C9119.8°120.5°
C21C10O2118.9°119.7°
C10C21H21117.6°119.5°
C9C10O2121.3°119.8°
C10C9H9121.5°120.2°
C10O2C11118.8°117.0°
O2C11C12105.5°109.5°
O2C11H111110.4°109.5°
O2C11H112110.5°109.5°
C11C12C20121.8°120.3°
C11C12C13120.2°120.3°
C12C11H111110.5°109.4°
C12C11H112110.4°109.5°
C20C12C13118.0°119.4°
C12C20N3120.0°120.8°
C12C20H20120.0°119.6°
C12C13C14121.4°118.5°
C12C13H13119.3°120.8°
C20N3C15122.1°121.6°
N3C20H20120.0°119.5°
N3C15C14119.2°120.6°
N3C15N1120.6°119.7°
C14C15N1120.1°119.7°
C15C14C13119.0°119.1°
C15C14H14120.5°120.5°
C15N1C19116.6°111.0°
C15N1C16118.5°111.0°
C14C13H13119.3°120.8°
C13C14H14120.5°120.4°
C19N1C16121.8°110.9°
N1C19C18114.1°109.4°
N1C19H191108.3°109.5°
N1C19H192108.3°109.5°
N1C16C17115.2°109.4°
N1C16H161108.0°109.5°
N1C16H162108.1°109.5°
C19C18N2111.8°109.4°
C18C19H191108.3°109.5°
C18C19H192108.3°109.5°
C19C18H181108.9°109.5°
C19C18H182108.9°109.5°
C18N2C17118.2°110.9°
N2C18H181108.9°109.5°
N2C18H182108.9°109.5°
C18N2H2107.2°111.0°
N2C17C16111.5°109.4°
C17N2H2107.3°111.1°
N2C17H171109.0°109.5°
N2C17H172109.0°109.5°
C17C16H161108.0°109.5°
C17C16H162108.0°109.5°
C16C17H171109.0°109.4°
C16C17H172109.0°109.6°
H61CC6H62C109.5°109.5°
H51CC5H52C109.5°109.5°
H11CC1H12C109.5°109.5°
H21CC2H22C109.4°109.5°
H21CC2H23C109.5°109.5°
H22CC2H23C109.5°109.4°
H111C11H112109.4°109.5°
H191C19H192109.5°109.5°
H161C16H162109.5°109.5°
H181C18H182109.5°109.5°
H171C17H172109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NC7C6C51.6°136.1°
NC7C6H61C115.8°16.2°
NC7C6H62C119.0°103.9°
C7C6C5H61C117.4°120.0°
C7C6C5H62C117.4°120.0°
C7C6C5S91.2°180.0°
C7C6H61CH62C127.1°120.0°
C7C6C5H51C28.2°60.0°
C7C6C5H52C149.4°60.0°
C6C5SH51C119.4°120.0°
C6C5SH52C119.4°120.0°
C6C5SC466.2°75.0°
C5C6H61CH62C127.1°120.0°
C6C5H51CH52C121.8°120.0°
C5SC4C871.1°90.1°
C5SC4C3105.3°90.3°
SC5C6H61C151.4°60.0°
SC5C6H62C26.2°60.0°
SC5H51CH52C121.8°120.0°
SC4C8C3176.8°179.6°
SC4C8C23176.0°180.0°
SC4C8C93.2°0.2°
SC4C3C24174.1°179.8°
SC4C3C3.6°0.1°
C4SC5H51C53.2°45.0°
C4SC5H52C174.4°165.0°
C4C8C23C9179.2°179.8°
C4C8C23N40.6°0.1°
C4C8C23C22177.5°180.0°
C8C4C3C242.2°0.6°
C8C4C3C179.9°179.7°
C4C8C9C10178.5°180.0°
C4C8C9H91.5°0.1°
C3C4C8C230.8°0.4°
C3C4C8C9180.0°179.8°
C4C3C24N42.0°0.6°
C4C3C24C178.0°179.7°
C4C3CO138.6°180.0°
C4C3CO147.1°0.0°
C4C3C24H24177.9°179.7°
C8C23N4C22176.9°179.9°
C8C23N4C240.8°0.0°
C8C23C22C212.5°0.0°
C23C8C9C100.7°0.2°
C23C8C9H9179.3°179.9°
C8C23C22H22177.5°179.9°
C9C8C23N4178.5°179.9°
C9C8C23C221.6°0.1°
C8C9C10C210.6°0.2°
C8C9C10H9180.0°179.9°
C8C9C10O2179.8°179.9°
C23N4C24C30.5°0.3°
N4C23C22C21179.5°180.0°
N4C23C22H220.5°0.0°
C23N4C24H24179.4°180.0°
C22C23N4C24177.7°180.0°
C23C22C21H22180.0°180.0°
C23C22C21C102.6°0.0°
C23C22C21H21177.4°180.0°
N4C24C3H24180.0°179.7°
N4C24C3C180.0°179.7°
C24C3CO1143.5°0.3°
C24C3CO30.9°179.7°
C3CO1O174.5°180.0°
C3CO1C1175.8°180.0°
CC3C24H240.1°0.0°
CO1C1C274.9°180.0°
CO1C1H11C165.3°60.0°
CO1C1H12C44.8°60.1°
OCO1C11.4°0.0°
O1C1C2H11C119.8°120.0°
O1C1C2H12C119.8°119.9°
O1C1H11CH12C120.7°120.0°
O1C1C2H21C180.0°60.0°
O1C1C2H22C60.0°60.1°
O1C1C2H23C60.0°180.0°
C2C1H11CH12C120.6°120.0°
C1C2H21CH22C120.0°120.0°
C1C2H21CH23C120.0°120.0°
C1C2H22CH23C120.0°119.9°
C22C21C10H21180.0°179.9°
C22C21C10C91.6°0.1°
C22C21C10O2178.8°180.0°
C21C10C9O2179.6°179.9°
C21C10O2C11151.6°0.0°
C21C10C9H9179.4°180.0°
C10C21C22H22177.4°180.0°
C9C10O2C1128.9°180.0°
C9C10C21H21178.4°180.0°
C10O2C11C1290.0°180.0°
O2C10C9H90.2°0.0°
O2C10C21H211.2°0.1°
C10O2C11H11129.4°60.0°
C10O2C11H112150.6°60.0°
O2C11C12H111119.4°120.0°
O2C11C12H112119.4°120.0°
O2C11C12C20100.1°90.0°
O2C11C12C1379.1°90.3°
O2C11H111H112121.8°120.0°
C11C12C20C13179.2°179.7°
C11C12C20N3179.9°180.0°
C11C12C13C14177.3°179.8°
C12C11H111H112121.8°120.0°
C11C12C20H200.1°0.0°
C11C12C13H132.7°0.0°
C12C20N3H20180.0°180.0°
C12C20N3C154.3°0.0°
C20C12C13C141.9°0.5°
C20C12C11H11119.3°30.0°
C20C12C11H112140.5°150.0°
C20C12C13H13178.1°179.7°
C13C12C20N30.9°0.2°
C12C13C14C151.3°0.5°
C12C13C14H13180.0°179.8°
C13C12C11H111161.5°149.7°
C13C12C11H11240.3°29.7°
C13C12C20H20179.1°179.7°
C12C13C14H14178.7°179.7°
C20N3C15C144.9°0.0°
C20N3C15N1172.2°180.0°
N3C15C14N1177.1°179.9°
N3C15C14C132.0°0.3°
N3C15N1C19173.5°0.0°
N3C15N1C1613.0°123.8°
C15N3C20H20175.7°180.0°
N3C15C14H14178.0°180.0°
C15C14C13H14180.0°179.7°
C14C15N1C193.5°179.9°
C14C15N1C16164.0°56.3°
C15C14C13H13178.6°179.7°
N1C15C14C13175.1°179.8°
C15N1C19C16159.9°123.9°
C15N1C19C18170.2°176.8°
C15N1C16C17169.0°176.8°
N1C15C14H144.9°0.0°
C15N1C19H19149.5°56.9°
C15N1C19H19269.1°63.2°
C15N1C16H16170.2°63.2°
C15N1C16H16248.1°56.8°
N1C19C18H191120.7°120.0°
N1C19C18H192120.7°120.0°
N1C19C18N236.5°58.4°
C19N1C16C1731.5°59.3°
N1C19H191H192117.9°120.1°
C19N1C16H16189.3°60.7°
C19N1C16H162152.3°179.3°
N1C19C18H18183.9°61.6°
N1C19C18H182156.8°178.4°
C16N1C19C1829.9°59.3°
N1C16C17N239.3°58.3°
N1C16C17H161120.8°120.0°
N1C16C17H162120.8°120.0°
C16N1C19H191150.6°179.2°
C16N1C19H19290.8°60.6°
N1C16H161H162117.4°120.0°
N1C16C17H17181.0°61.6°
N1C16C17H172159.6°178.4°
C19C18N2H181120.4°120.0°
C19C18N2H182120.3°120.0°
C19C18N2C1750.3°59.3°
C18C19H191H192117.9°120.0°
C19C18H181H182118.9°120.1°
C19C18N2H2171.5°176.8°
C18N2C17H2121.2°123.9°
C18N2C17C1651.5°59.2°
N2C18C19H191157.2°178.4°
N2C18C19H19284.2°61.6°
N2C18H181H182118.9°120.0°
C18N2C17H17168.8°60.6°
C18N2C17H172171.8°179.3°
N2C17C16H171120.3°119.9°
N2C17C16H172120.3°120.1°
N2C17C16H16181.6°61.6°
N2C17C16H162160.1°178.4°
C17N2C18H18170.1°60.7°
C17N2C18H182170.6°179.3°
N2C17H171H172119.1°120.1°
C17C16H161H162117.4°120.0°
C16C17N2H2172.7°176.9°
C16C17H171H172119.1°120.1°
H61CC6C5H51C89.2°180.0°
H61CC6C5H52C32.0°60.0°
H62CC6C5H51C145.6°60.0°
H62CC6C5H52C93.2°180.0°
H22C22C21H212.6°0.0°
H11CC1C2H21C60.3°180.0°
H11CC1C2H22C179.8°59.9°
H11CC1C2H23C59.8°60.0°
H12CC1C2H21C60.2°60.0°
H12CC1C2H22C59.8°180.0°
H12CC1C2H23C179.8°60.0°
H21CC2H22CH23C120.0°120.0°
H13C13C14H141.4°0.0°
H191C19C18H18136.8°58.4°
H191C19C18H18282.5°61.6°
H192C19C18H181155.4°178.5°
H192C19C18H18236.1°58.4°
H161C16C17H171158.1°178.5°
H161C16C17H17238.7°58.4°
H162C16C17H17139.8°58.5°
H162C16C17H17279.6°61.6°
H181C18N2H251.2°63.3°
H182C18N2H268.1°56.8°
H2N2C17H17152.4°63.3°
H2N2C17H17266.9°56.8°

222415

PDB entries from 2024-07-10

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