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ATE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C3sing1.43Å1.43Å
O1HO1sing0.97Å0.95Å
C3C2sing1.53Å1.55Å
C3C4sing1.53Å1.54Å
C3H3sing1.09Å1.11Å
C2C1sing1.53Å1.53Å
C2H21sing1.09Å1.12Å
C2H22sing1.09Å1.11Å
C1C10sing1.55Å1.56Å
C1H11sing1.09Å1.11Å
C1H12sing1.09Å1.11Å
C4C5sing1.53Å1.55Å
C4H41sing1.09Å1.11Å
C4H42sing1.09Å1.12Å
C5C6sing1.53Å1.55Å
C5C10sing1.52Å1.59Å
C5H5sing1.09Å1.11Å
C6C7sing1.53Å1.54Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.11Å
C10C19sing1.53Å1.58Å
C10C9sing1.53Å1.58Å
C19H191sing1.09Å1.12Å
C19H192sing1.09Å1.11Å
C19H193sing1.09Å1.11Å
C9C11sing1.52Å1.56Å
C9C8sing1.54Å1.59Å
C9H9sing1.09Å1.11Å
C11C12sing1.54Å1.55Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C8C7sing1.53Å1.55Å
C8C14sing1.53Å1.55Å
C8H8sing1.09Å1.11Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.11Å
C14C15sing1.54Å1.53Å
C14C13sing1.56Å1.57Å
C14H14sing1.09Å1.12Å
C15C16sing1.53Å1.52Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.12Å
C13C12sing1.51Å1.55Å
C13C18sing1.53Å1.57Å
C13C17sing1.49Å1.52Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.12Å
C18H183sing1.09Å1.11Å
C17C16doub1.33Å1.36Å
C17H17sing1.08Å1.10Å
C16H16sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3O1HO1106.1°106.9°
O1C3C2106.1°109.5°
O1C3C4103.0°109.5°
O1C3H3119.6°109.4°
C2C3C4119.3°109.5°
C2C3H3103.4°109.4°
C3C2C1112.8°109.4°
C3C2H21111.0°109.5°
C3C2H22111.0°109.5°
C4C3H3106.4°109.5°
C3C4C5110.7°109.4°
C3C4H41111.8°109.5°
C3C4H42111.8°109.4°
C1C2H21111.0°109.5°
C1C2H22111.0°109.5°
C2C1C10116.6°109.3°
C2C1H11109.6°109.4°
C2C1H12109.6°109.5°
H21C2H2299.3°109.5°
C10C1H11109.6°109.5°
C10C1H12109.6°109.7°
C1C10C5109.6°109.1°
C1C10C19105.2°109.4°
C1C10C9113.7°108.7°
H11C1H12100.5°109.5°
C5C4H41111.8°109.5°
C5C4H42111.8°109.5°
C4C5C6109.1°109.3°
C4C5C10115.3°109.6°
C4C5H5107.3°109.4°
H41C4H4298.6°109.4°
C6C5C10114.1°109.1°
C6C5H5108.7°109.5°
C5C6C7112.2°109.5°
C5C6H61111.2°109.5°
C5C6H62111.2°109.5°
C10C5H5101.5°109.8°
C5C10C19109.4°109.7°
C5C10C9113.2°110.1°
C7C6H61111.2°109.5°
C7C6H62111.2°109.4°
C6C7C8114.7°109.4°
C6C7H71110.3°109.5°
C6C7H72110.3°109.5°
H61C6H6299.1°109.5°
C19C10C9105.3°109.8°
C10C19H191113.8°109.5°
C10C19H192105.2°109.5°
C10C19H193113.8°109.5°
C10C9C11115.9°109.9°
C10C9C8108.8°108.3°
C10C9H9107.0°108.8°
H191C19H192113.8°109.4°
H191C19H19396.7°109.5°
H192C19H193113.8°109.5°
C11C9C8113.6°112.1°
C11C9H9101.4°108.8°
C9C11C12114.6°111.6°
C9C11H111110.3°109.0°
C9C11H112110.3°109.1°
C8C9H9109.6°108.8°
C9C8C7115.1°109.0°
C9C8C14109.9°106.2°
C9C8H8106.6°109.9°
C12C11H111110.4°109.1°
C12C11H112110.3°109.0°
C11C12C13112.9°107.0°
C11C12H121111.0°109.9°
C11C12H122111.0°109.9°
H111C11H11299.9°109.0°
C7C8C14113.2°110.6°
C7C8H8102.7°109.9°
C8C7H71110.3°109.5°
C8C7H72110.3°109.5°
C14C8H8108.8°111.0°
C8C14C15122.8°116.6°
C8C14C13115.5°105.6°
C8C14H1492.2°111.4°
H71C7H72100.0°109.5°
C15C14C13105.8°98.4°
C15C14H14105.0°111.5°
C14C15C1697.3°101.8°
C14C15H151116.9°111.0°
C14C15H152116.9°111.0°
C13C14H14114.6°112.5°
C14C13C12113.4°107.3°
C14C13C18112.9°108.9°
C14C13C1794.5°102.3°
C16C15H151116.9°111.0°
C16C15H152116.9°111.0°
C15C16C17109.5°109.6°
C15C16H16129.8°125.0°
H151C15H15293.4°110.8°
C12C13C18106.9°109.1°
C12C13C17123.9°119.6°
C13C12H121110.9°110.0°
C13C12H122110.9°110.0°
C18C13C17104.7°109.1°
C13C18H181111.0°109.4°
C13C18H182112.9°109.5°
C13C18H183111.0°109.5°
C13C17C16113.6°109.6°
C13C17H17128.2°124.8°
H121C12H12299.4°110.0°
H181C18H182111.0°109.5°
H181C18H18399.3°109.5°
H182C18H183110.9°109.5°
C16C17H17118.2°125.6°
C17C16H16120.7°125.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C3C2C4115.6°120.1°
O1C3C2H3126.6°119.9°
O1C3C4H3126.6°120.0°
O1C3C2C175.3°60.1°
O1C3C2H21159.4°59.9°
O1C3C2H2249.9°179.9°
O1C3C4C574.4°60.1°
O1C3C4H4150.9°60.0°
O1C3C4H42160.4°179.9°
HO1O1C3C2180.0°59.9°
HO1O1C3C453.8°180.0°
HO1O1C3H363.9°60.0°
C2C3C4H3116.2°120.0°
C3C2C1H21125.3°120.0°
C3C2C1H22125.2°120.0°
C3C2H21H22116.8°120.0°
C3C2C1C1043.4°59.9°
C3C2C1H11168.7°60.0°
C3C2C1H1281.8°180.0°
C2C3C4C542.8°60.0°
C2C3C4H41168.1°180.0°
C2C3C4H4282.5°60.0°
C4C3C2C140.2°60.0°
C4C3C2H2185.1°179.9°
C4C3C2H22165.5°60.0°
C3C4C5H41125.3°120.0°
C3C4C5H42125.3°120.0°
C3C4H41H42117.7°120.0°
C3C4C5C6178.8°179.9°
C3C4C5C1048.8°60.6°
C3C4C5H563.5°60.0°
H3C3C2C1158.0°180.0°
H3C3C2H2132.7°60.0°
H3C3C2H2276.7°60.0°
H3C3C4C5159.0°180.0°
H3C3C4H4175.7°60.0°
H3C3C4H4233.7°60.0°
C1C2H21H22116.9°120.0°
C2C1C10H11125.3°119.9°
C2C1C10H12125.3°120.0°
C2C1H11H12115.4°120.0°
C2C1C10C549.3°60.2°
C2C1C10C1968.2°59.8°
C2C1C10C9177.1°179.7°
H21C2C1C1081.8°179.9°
H21C2C1H1143.5°60.0°
H21C2C1H12152.9°60.0°
H22C2C1C10168.7°60.1°
H22C2C1H1166.0°180.0°
H22C2C1H1243.4°60.0°
C10C1H11H12115.4°120.3°
C1C10C5C452.4°60.5°
C1C10C5C6179.9°179.9°
C1C10C5C19114.9°119.9°
C1C10C5C9128.0°119.2°
C1C10C5H563.3°59.8°
C1C10C19C9120.4°119.2°
C1C10C19H19154.7°60.1°
C1C10C19H192180.0°180.0°
C1C10C19H19354.8°60.0°
C1C10C9C1154.1°56.5°
C1C10C9C8176.6°179.2°
C1C10C9H958.2°62.6°
H11C1C10C5174.6°59.6°
H11C1C10C1957.0°179.7°
H11C1C10C957.7°60.4°
H12C1C10C575.9°179.8°
H12C1C10C19166.5°60.1°
H12C1C10C951.8°59.7°
C5C4H41H42117.7°120.0°
C4C5C6C10130.6°119.9°
C4C5C6H5116.8°119.9°
C4C5C10H5115.7°120.3°
C4C5C6C7179.3°179.4°
C4C5C6H6155.5°60.5°
C4C5C6H6254.0°59.5°
C4C5C10C1962.5°59.4°
C4C5C10C9179.6°179.6°
H41C4C5C656.0°59.9°
H41C4C5C10174.0°179.4°
H41C4C5H561.7°60.1°
H42C4C5C653.5°60.1°
H42C4C5C1076.5°59.4°
H42C4C5H5171.2°179.9°
C6C5C10H5116.8°120.0°
C5C6C7H61125.3°120.0°
C5C6C7H62125.3°120.0°
C5C6H61H62117.1°120.0°
C6C5C10C1965.0°60.2°
C6C5C10C952.1°60.7°
C5C6C7C847.8°60.0°
C5C6C7H7177.4°60.0°
C5C6C7H72173.1°180.0°
C10C5C6C748.6°59.5°
C10C5C6H61173.9°179.6°
C10C5C6H6276.6°60.4°
C5C10C19C9121.9°121.1°
C5C10C19H19162.9°59.7°
C5C10C19H19262.3°60.3°
C5C10C19H193172.4°179.7°
C5C10C9C11179.9°175.9°
C5C10C9C850.7°61.3°
C5C10C9H967.6°56.9°
H5C5C6C763.9°60.7°
H5C5C6H6161.4°59.3°
H5C5C6H62170.8°179.3°
H5C5C10C19178.2°179.7°
H5C5C10C964.7°59.3°
C7C6H61H62117.1°119.9°
C6C7C8C950.6°60.8°
C6C7C8H71125.2°120.0°
C6C7C8H72125.3°120.0°
C6C7C8C14178.2°177.3°
C6C7C8H864.7°59.8°
C6C7H71H72116.2°120.0°
H61C6C7C8173.1°180.0°
H61C6C7H7147.8°60.1°
H61C6C7H7261.7°59.9°
H62C6C7C877.5°60.0°
H62C6C7H71157.3°179.9°
H62C6C7H7247.8°60.0°
C10C19H191H192120.6°119.9°
C10C19H191H193119.7°120.1°
C10C19H192H193125.3°120.0°
C19C10C9C1160.6°63.2°
C19C10C9C868.8°59.6°
C19C10C9H9172.9°177.7°
C9C10C19H191175.1°179.2°
C9C10C19H19259.6°60.8°
C9C10C19H19365.6°59.2°
C10C9C11C8127.0°120.5°
C10C9C11H9115.5°119.1°
C10C9C8H9116.7°118.2°
C10C9C11C12177.4°174.6°
C10C9C11H11152.1°54.1°
C10C9C11H11257.3°64.8°
C10C9C8C750.7°60.9°
C10C9C8C14179.8°179.8°
C10C9C8H862.5°59.6°
H191C19H192H193109.5°120.0°
C11C9C8H9112.7°120.4°
C9C11C12H111125.3°120.5°
C9C11C12H112125.3°120.6°
C9C11H111H112116.2°119.0°
C11C9C8C7178.7°177.6°
C11C9C8C1449.5°58.4°
C11C9C8H868.2°61.8°
C9C11C12C1348.3°56.4°
C9C11C12H121173.6°175.8°
C9C11C12H12276.9°63.0°
C8C9C11C1250.4°54.1°
C8C9C11H11174.9°66.4°
C8C9C11H112175.7°174.6°
C9C8C7C14127.5°116.5°
C9C8C7H8115.4°120.6°
C9C8C14H8116.3°119.5°
C9C8C7H7174.6°59.2°
C9C8C7H72175.9°179.2°
C9C8C14C15178.5°173.8°
C9C8C14C1349.8°65.9°
C9C8C14H1468.9°56.6°
H9C9C11C1267.1°66.3°
H9C9C11H111167.6°173.2°
H9C9C11H11258.1°54.2°
H9C9C8C766.0°57.2°
H9C9C8C1463.1°62.0°
H9C9C8H8179.2°177.8°
C12C11H111H112116.2°118.9°
C11C12C13C1447.0°65.4°
C11C12C13H121125.3°119.3°
C11C12C13H122125.3°119.3°
C11C12C13C1878.1°52.5°
C11C12C13C17160.2°179.0°
C11C12H121H122116.8°121.2°
H111C11C12C1377.0°64.1°
H111C11C12H12148.3°55.3°
H111C11C12H122157.8°176.5°
H112C11C12C13173.6°177.0°
H112C11C12H12161.2°63.6°
H112C11C12H12248.3°57.6°
C7C8C14H8113.5°122.3°
C8C7H71H72116.2°120.1°
C7C8C14C1548.2°68.0°
C7C8C14C13180.0°175.9°
C7C8C14H1461.3°61.6°
C14C8C7H7152.9°57.3°
C14C8C7H7256.6°62.7°
C8C14C15C13135.6°112.2°
C8C14C15H14102.8°129.5°
C8C14C13H14105.4°121.8°
C8C14C15C16177.9°151.0°
C8C14C15H15156.8°32.9°
C8C14C15H15252.7°90.8°
C8C14C13C1249.8°72.3°
C8C14C13C1872.0°45.8°
C8C14C13C17179.9°161.1°
H8C8C7H71170.1°179.7°
H8C8C7H7260.6°60.2°
H8C8C14C1565.2°54.3°
H8C8C14C1366.5°53.6°
H8C8C14H14174.8°176.1°
C15C14C13H14115.2°117.5°
C14C15C16H151125.3°118.1°
C14C15C16H152125.3°118.2°
C14C15H151H152122.7°123.8°
C15C14C13C12170.9°167.0°
C15C14C13C1867.3°74.9°
C15C14C13C1740.7°40.4°
C14C15C16C1726.7°24.9°
C14C15C16H16153.3°154.6°
C13C14C15C1642.4°38.8°
C13C14C15H151167.6°79.3°
C13C14C15H15282.9°157.0°
C14C13C12C18125.1°117.9°
C14C13C12C17113.2°115.7°
C14C13C18C17101.5°110.9°
C14C13C12H121172.3°175.3°
C14C13C12H12278.3°54.0°
C14C13C18H18154.7°63.1°
C14C13C18H182180.0°56.9°
C14C13C18H18354.7°176.9°
C14C13C17C1624.3°27.6°
C14C13C17H17155.7°152.9°
H14C14C15C1679.2°79.5°
H14C14C15H15146.0°162.4°
H14C14C15H152155.5°38.7°
H14C14C13C1255.6°49.5°
H14C14C13C18177.5°167.6°
H14C14C13C1774.5°77.1°
C16C15H151H152122.6°123.8°
C15C16C17C131.0°1.9°
C15C16C17H16180.0°179.5°
C15C16C17H17179.0°178.6°
H151C15C16C17151.9°93.2°
H151C15C16H1628.1°87.3°
H152C15C16C1798.6°143.1°
H152C15C16H1681.4°36.4°
C12C13C18C17133.1°132.2°
C13C12H121H122116.8°121.3°
C12C13C18H181179.9°53.8°
C12C13C18H18254.6°173.8°
C12C13C18H18370.7°66.2°
C12C13C17C16146.5°145.9°
C12C13C17H1733.5°34.6°
C18C13C12H12147.2°66.8°
C18C13C12H122156.6°171.9°
C13C18H181H182126.4°120.0°
C13C18H181H183116.8°120.0°
C13C18H182H183125.3°120.0°
C18C13C17C1690.8°87.6°
C18C13C17H1789.2°91.9°
C17C13C12H12174.5°59.6°
C17C13C12H12234.9°61.7°
C17C13C18H18146.7°174.0°
C17C13C18H18278.6°54.0°
C17C13C18H183156.2°66.1°
C13C17C16H17180.0°179.5°
C13C17C16H16179.0°178.6°
H181C18H182H183109.4°120.0°
H17C17C16H161.0°0.9°

221716

PDB entries from 2024-06-26

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