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CDU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.59Å
C1C6sing1.53Å1.59Å
C1HC11sing1.09Å1.11Å
C1HC12sing1.09Å1.12Å
C2C3sing1.53Å1.59Å
C2HC21sing1.09Å1.12Å
C2HC22sing1.09Å1.11Å
C3C4sing1.53Å1.60Å
C3HC31sing1.09Å1.12Å
C3HC32sing1.09Å1.11Å
C4C5sing1.53Å1.58Å
C4HC41sing1.09Å1.11Å
C4HC42sing1.09Å1.11Å
C5C6sing1.53Å1.59Å
C5N1sing1.46Å1.53Å
C5HC51sing1.09Å1.12Å
C6HC61sing1.09Å1.11Å
C6HC62sing1.09Å1.12Å
N1C8sing1.35Å1.37Å
N1HN1sing0.97Å1.02Å
C8Odoub1.22Å1.25Å
C8N2sing1.35Å1.37Å
N2C11sing1.46Å1.50Å
N2HN2sing0.97Å1.02Å
C11C12sing1.53Å1.54Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C12C13sing1.53Å1.56Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.11Å
C13C14sing1.53Å1.58Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.12Å
C14C15sing1.53Å1.59Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.12Å
C15C16sing1.53Å1.56Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.12Å
C16C17sing1.53Å1.57Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.12Å
C17C18sing1.53Å1.57Å
C17H171sing1.09Å1.11Å
C17H172sing1.09Å1.12Å
C18C19sing1.53Å1.56Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.11Å
C19C20sing1.53Å1.55Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.12Å
C20H201sing1.09Å1.12Å
C20H202sing1.09Å1.12Å
C20H203sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6112.7°109.5°
C2C1HC11111.0°109.5°
C2C1HC12111.1°109.4°
C1C2C3113.4°109.4°
C1C2HC21110.7°109.4°
C1C2HC22110.8°109.4°
C6C1HC11111.0°109.5°
C6C1HC12111.0°109.5°
C1C6C5111.1°109.5°
C1C6HC61111.6°109.5°
C1C6HC62111.6°109.5°
HC11C1HC1299.3°109.4°
C3C2HC21110.8°109.5°
C3C2HC22110.8°109.6°
C2C3C4112.9°109.5°
C2C3HC31110.9°109.5°
C2C3HC32110.9°109.4°
HC21C2HC2299.6°109.5°
C4C3HC31110.9°109.5°
C4C3HC32110.9°109.5°
C3C4C5113.9°109.5°
C3C4HC41110.6°109.5°
C3C4HC42110.6°109.5°
HC31C3HC3299.4°109.5°
C5C4HC41110.6°109.5°
C5C4HC42110.5°109.5°
C4C5C6107.7°109.4°
C4C5N1107.7°109.5°
C4C5HC51112.6°109.4°
HC41C4HC4299.8°109.4°
C6C5N1111.8°109.5°
C6C5HC51108.5°109.5°
C5C6HC61111.6°109.5°
C5C6HC62111.6°109.5°
N1C5HC51108.6°109.5°
C5N1C8131.9°120.0°
C5N1HN1104.4°120.0°
HC61C6HC6298.8°109.4°
C8N1HN1104.4°119.9°
N1C8O115.8°119.9°
N1C8N2129.4°120.1°
OC8N2114.8°120.0°
C8N2C11124.0°120.1°
C8N2HN2112.9°120.0°
C11N2HN2123.1°119.9°
N2C11C12111.2°109.5°
N2C11H111111.6°109.5°
N2C11H112111.6°109.5°
C12C11H111111.6°109.5°
C12C11H112111.6°109.5°
C11C12C13111.4°109.5°
C11C12H121111.5°109.4°
C11C12H122111.5°109.5°
H111C11H11298.8°109.4°
C13C12H121111.5°109.5°
C13C12H122111.5°109.4°
C12C13C14113.7°109.5°
C12C13H131110.7°109.5°
C12C13H132110.7°109.4°
H121C12H12298.9°109.5°
C14C13H131110.6°109.5°
C14C13H132110.6°109.4°
C13C14C15115.1°109.5°
C13C14H141110.2°109.5°
C13C14H142110.1°109.4°
H131C13H13299.6°109.5°
C15C14H141110.1°109.5°
C15C14H142110.2°109.4°
C14C15C16112.8°109.5°
C14C15H151111.0°109.5°
C14C15H152111.0°109.4°
H141C14H142100.1°109.4°
C16C15H151111.0°109.5°
C16C15H152111.0°109.4°
C15C16C17113.6°109.5°
C15C16H161110.7°109.5°
C15C16H162110.8°109.4°
H151C15H15299.4°109.4°
C17C16H161110.7°109.5°
C17C16H162110.7°109.4°
C16C17C18112.1°109.5°
C16C17H171111.3°109.5°
C16C17H172111.2°109.4°
H161C16H16299.6°109.5°
C18C17H171111.2°109.5°
C18C17H172111.2°109.5°
C17C18C19113.1°109.5°
C17C18H181110.9°109.5°
C17C18H182110.9°109.5°
H171C17H17299.1°109.5°
C19C18H181110.8°109.5°
C19C18H182110.9°109.4°
C18C19C20112.8°109.5°
C18C19H191111.0°109.5°
C18C19H192111.0°109.4°
H181C18H18299.4°109.5°
C20C19H191110.9°109.5°
C20C19H192110.9°109.4°
C19C20H201112.8°109.6°
C19C20H202111.0°109.4°
C19C20H203111.0°109.5°
H191C19H19299.4°109.5°
H201C20H202110.9°109.4°
H201C20H203111.0°109.5°
H202C20H20399.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6HC11125.3°120.0°
C2C1C6HC12125.3°120.0°
C2C1HC11HC12116.9°120.0°
C1C2C3HC21125.2°119.9°
C1C2C3HC22125.3°120.0°
C1C2HC21HC22116.6°119.9°
C1C2C3C443.4°60.0°
C1C2C3HC3181.9°60.0°
C1C2C3HC32168.6°180.0°
C2C1C6C556.7°60.0°
C2C1C6HC6168.7°60.0°
C2C1C6HC62178.1°179.9°
C6C1HC11HC12116.9°120.0°
C6C1C2C347.3°60.0°
C6C1C2HC21172.5°180.0°
C6C1C2HC2278.0°60.0°
C1C6C5C460.5°60.0°
C1C6C5HC61125.3°120.1°
C1C6C5HC62125.2°120.0°
C1C6C5N1178.6°180.0°
C1C6C5HC5161.7°59.9°
C1C6HC61HC62117.5°120.0°
HC11C1C2C3172.5°60.0°
HC11C1C2HC2162.2°60.0°
HC11C1C2HC2247.3°179.9°
HC11C1C6C5178.1°60.0°
HC11C1C6HC6156.6°179.9°
HC11C1C6HC6252.8°60.0°
HC12C1C2C378.0°180.0°
HC12C1C2HC2147.3°60.0°
HC12C1C2HC22156.7°60.0°
HC12C1C6C568.6°180.0°
HC12C1C6HC61166.1°59.9°
HC12C1C6HC6256.6°60.0°
C3C2HC21HC22116.7°120.1°
C2C3C4HC31125.2°120.0°
C2C3C4HC32125.2°119.9°
C2C3HC31HC32116.8°119.9°
C2C3C4C550.2°60.0°
C2C3C4HC41175.4°180.0°
C2C3C4HC4275.1°60.0°
HC21C2C3C4168.6°180.0°
HC21C2C3HC3143.4°59.9°
HC21C2C3HC3266.1°60.0°
HC22C2C3C481.9°59.9°
HC22C2C3HC31152.9°180.0°
HC22C2C3HC3243.4°60.1°
C4C3HC31HC32116.8°120.0°
C3C4C5HC41125.3°120.1°
C3C4C5HC42125.2°120.0°
C3C4HC41HC42116.4°120.0°
C3C4C5C657.9°60.0°
C3C4C5N1178.6°180.0°
C3C4C5HC5161.8°60.0°
HC31C3C4C575.1°60.0°
HC31C3C4HC4150.2°60.0°
HC31C3C4HC42159.7°180.0°
HC32C3C4C5175.4°180.0°
HC32C3C4HC4159.3°60.0°
HC32C3C4HC4250.2°60.0°
C5C4HC41HC42116.4°120.0°
C4C5C6N1118.1°120.0°
C4C5C6HC51122.2°119.9°
C4C5N1HC51122.2°119.9°
C4C5C6HC6164.8°60.1°
C4C5C6HC62174.3°180.0°
C4C5N1C8179.9°150.0°
C4C5N1HN154.9°30.1°
HC41C4C5C6176.9°180.0°
HC41C4C5N156.2°59.9°
HC41C4C5HC5163.5°60.0°
HC42C4C5C667.4°60.1°
HC42C4C5N153.3°60.0°
HC42C4C5HC51173.0°180.0°
C6C5N1HC51119.7°120.1°
C5C6HC61HC62117.5°120.0°
C6C5N1C862.0°90.0°
C6C5N1HN163.2°89.9°
N1C5C6HC6153.3°60.0°
N1C5C6HC6256.2°60.0°
C5N1C8HN1125.2°179.9°
C5N1C8O1.2°0.0°
C5N1C8N2177.7°180.0°
HC51C5C6HC61173.0°180.0°
HC51C5C6HC6263.5°60.1°
HC51C5N1C857.6°30.1°
HC51C5N1HN1177.1°150.0°
N1C8ON2179.0°180.0°
N1C8N2C11178.5°180.0°
N1C8N2HN21.5°0.0°
HN1N1C8O126.4°180.0°
HN1N1C8N252.4°0.1°
OC8N2C110.4°0.0°
OC8N2HN2179.6°180.0°
C8N2C11HN2180.0°180.0°
C8N2C11C12178.6°180.0°
C8N2C11H11153.3°59.9°
C8N2C11H11256.1°60.0°
N2C11C12H111125.3°120.0°
N2C11C12H112125.3°120.1°
N2C11H111H112117.5°120.0°
N2C11C12C13179.2°180.0°
N2C11C12H12155.6°60.0°
N2C11C12H12254.0°60.0°
HN2N2C11C121.4°0.0°
HN2N2C11H111126.7°120.1°
HN2N2C11H112123.9°120.0°
C12C11H111H112117.4°120.0°
C11C12C13H121125.2°120.0°
C11C12C13H122125.3°120.0°
C11C12H121H122117.4°120.0°
C11C12C13C14107.5°179.9°
C11C12C13H13117.8°60.0°
C11C12C13H132127.3°60.0°
H111C11C12C1353.9°60.0°
H111C11C12H121179.1°180.0°
H111C11C12H12271.3°60.0°
H112C11C12C1355.5°60.0°
H112C11C12H12169.7°60.1°
H112C11C12H122179.2°180.0°
C13C12H121H122117.4°120.0°
C12C13C14H131125.3°120.1°
C12C13C14H132125.3°120.0°
C12C13H131H132116.5°120.0°
C12C13C14C15172.1°180.0°
C12C13C14H14146.9°59.9°
C12C13C14H14262.7°60.0°
H121C12C13C14127.3°59.9°
H121C12C13H131107.4°NaN°
H121C12C13H1322.0°60.0°
H122C12C13C1417.8°60.0°
H122C12C13H131143.1°60.0°
H122C12C13H132107.5°180.0°
C14C13H131H132116.5°120.0°
C13C14C15H141125.2°120.1°
C13C14C15H142125.2°120.0°
C13C14H141H142116.0°119.9°
C13C14C15C1646.6°180.0°
C13C14C15H15178.6°59.9°
C13C14C15H152171.9°60.0°
H131C13C14C1562.6°59.9°
H131C13C14H141172.2°180.0°
H131C13C14H14262.6°60.0°
H132C13C14C1546.8°60.1°
H132C13C14H14178.4°60.1°
H132C13C14H142172.1°180.0°
C15C14H141H142116.0°119.9°
C14C15C16H151125.3°120.1°
C14C15C16H152125.3°119.9°
C14C15H151H152116.9°119.9°
C14C15C16C17177.0°180.0°
C14C15C16H16151.8°59.9°
C14C15C16H16257.7°60.1°
H141C14C15C16171.9°59.9°
H141C14C15H15146.6°180.0°
H141C14C15H15262.9°60.1°
H142C14C15C1678.6°60.0°
H142C14C15H151156.1°60.1°
H142C14C15H15246.6°180.0°
C16C15H151H152116.8°119.9°
C15C16C17H161125.3°120.1°
C15C16C17H162125.3°120.0°
C15C16H161H162116.6°120.0°
C15C16C17C18131.0°180.0°
C15C16C17H1715.7°59.9°
C15C16C17H172103.7°60.0°
H151C15C16C1757.7°59.9°
H151C15C16H161177.0°180.0°
H151C15C16H16267.6°60.1°
H152C15C16C1751.8°60.0°
H152C15C16H16173.5°60.0°
H152C15C16H162177.0°180.0°
C17C16H161H162116.5°120.0°
C16C17C18H171125.3°120.0°
C16C17C18H172125.3°120.0°
C16C17H171H172117.1°120.0°
C16C17C18C19179.7°180.0°
C16C17C18H18155.1°60.0°
C16C17C18H18254.4°60.0°
H161C16C17C18103.7°60.0°
H161C16C17H171131.0°NaN°
H161C16C17H17221.6°60.0°
H162C16C17C185.7°60.0°
H162C16C17H171119.6°60.0°
H162C16C17H172131.0°NaN°
C18C17H171H172117.1°120.0°
C17C18C19H181125.3°120.0°
C17C18C19H182125.3°120.0°
C17C18H181H182116.8°120.0°
C17C18C19C20180.0°180.0°
C17C18C19H19154.8°60.0°
C17C18C19H19254.7°60.0°
H171C17C18C1954.4°60.0°
H171C17C18H181179.6°NaN°
H171C17C18H18270.9°60.0°
H172C17C18C1955.0°60.0°
H172C17C18H18170.2°60.0°
H172C17C18H182179.7°180.0°
C19C18H181H182116.7°120.0°
C18C19C20H191125.3°120.1°
C18C19C20H192125.2°120.0°
C18C19H191H192116.9°120.0°
C18C19C20H201179.9°180.0°
C18C19C20H20254.8°60.0°
C18C19C20H20354.8°59.9°
H181C18C19C2054.7°59.9°
H181C18C19H191180.0°NaN°
H181C18C19H19270.5°60.0°
H182C18C19C2054.7°60.0°
H182C18C19H19170.5°60.0°
H182C18C19H192179.9°180.0°
C20C19H191H192116.8°120.0°
C19C20H201H202125.2°120.0°
C19C20H201H203125.3°120.1°
C19C20H202H203116.9°120.0°
H191C19C20H20154.8°59.9°
H191C19C20H202179.9°60.0°
H191C19C20H20370.5°180.0°
H192C19C20H20154.7°60.1°
H192C19C20H20270.5°180.0°
H192C19C20H203180.0°60.1°
H201C20H202H203116.8°120.0°

248636

PDB entries from 2026-02-04

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