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1EM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O11C11doub1.22Å1.25Å
C11C12sing1.51Å1.49Å
C11O41sing1.37Å1.44Å
C12C13sing1.53Å1.51Å
C12H121sing1.10Å1.10Å
C12H122sing1.10Å1.10Å
C13C14sing1.53Å1.51Å
C13H131sing1.10Å1.10Å
C13H132sing1.10Å1.10Å
C14C15sing1.53Å1.51Å
C14H141sing1.10Å1.10Å
C14H142sing1.09Å1.10Å
C15C16sing1.53Å1.51Å
C15H151sing1.10Å1.10Å
C15H152sing1.10Å1.10Å
C16C17sing1.53Å1.51Å
C16H161sing1.10Å1.10Å
C16H162sing1.10Å1.10Å
C17C18sing1.53Å1.51Å
C17H171sing1.10Å1.10Å
C17H172sing1.10Å1.10Å
C18C19sing1.52Å1.52Å
C18H181sing1.10Å1.10Å
C18H182sing1.10Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
O21C21doub1.22Å1.25Å
C21C22sing1.51Å1.54Å
C21O42sing1.37Å1.44Å
C22C23sing1.53Å1.52Å
C22H221sing1.10Å1.10Å
C22H222sing1.10Å1.10Å
C23C24sing1.53Å1.53Å
C23H231sing1.10Å1.10Å
C23H232sing1.10Å1.10Å
C24C25sing1.53Å1.42Å
C24H241sing1.10Å1.10Å
C24H242sing1.10Å1.10Å
C25C26sing1.53Å1.55Å
C25H251sing1.10Å1.10Å
C25H252sing1.10Å1.10Å
C26C27sing1.53Å1.54Å
C26H261sing1.10Å1.10Å
C26H262sing1.10Å1.10Å
C27C28sing1.53Å1.53Å
C27H271sing1.10Å1.10Å
C27H272sing1.10Å1.10Å
C28C29sing1.53Å1.52Å
C28H281sing1.10Å1.10Å
C28H282sing1.10Å1.10Å
C29C30sing1.53Å1.53Å
C29H291sing1.10Å1.10Å
C29H292sing1.10Å1.10Å
C30C31sing1.53Å1.53Å
C30H301sing1.10Å1.10Å
C30H302sing1.10Å1.10Å
C31C32sing1.53Å1.52Å
C31H311sing1.10Å1.10Å
C31H312sing1.10Å1.10Å
C32C33sing1.53Å1.52Å
C32H321sing1.10Å1.10Å
C32H322sing1.10Å1.10Å
C33C34sing1.52Å1.52Å
C33H331sing1.10Å1.10Å
C33H332sing1.10Å1.10Å
C34H341sing1.09Å1.10Å
C34H342sing1.09Å1.10Å
C34H343sing1.10Å1.10Å
C41O41sing1.42Å1.39Å
C41C42sing1.52Å1.51Å
C41H411sing1.09Å1.10Å
C41H412sing1.09Å1.10Å
C42O42sing1.43Å1.46Å
C42C43sing1.52Å1.54Å
C42H42sing1.10Å1.10Å
C43O43sing1.42Å1.46Å
C43H431sing1.10Å1.10Å
C43H432sing1.10Å1.10Å
O43HO43sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O11C11C12120.3°123.7°
O11C11O41121.6°125.9°
C12C11O41118.0°110.3°
C11C12C13111.0°112.5°
C11C12H121109.0°108.0°
C11C12H122108.6°108.5°
C11O41C41112.5°115.8°
C13C12H121109.0°110.5°
C13C12H122108.7°110.7°
C12C13C14110.8°112.4°
C12C13H131109.0°108.4°
C12C13H132108.7°110.2°
H121C12H122110.6°106.5°
C14C13H131109.0°109.1°
C14C13H132108.7°109.5°
C13C14C15110.5°111.1°
C13C14H141109.1°109.5°
C13C14H142108.9°109.4°
H131C13H132110.6°107.0°
C15C14H141109.1°109.6°
C15C14H142108.9°109.8°
C14C15C16111.0°113.5°
C14C15H151109.0°109.1°
C14C15H152108.6°109.8°
H141C14H142110.3°107.4°
C16C15H151109.0°108.1°
C16C15H152108.6°109.5°
C15C16C17111.0°113.5°
C15C16H161109.0°109.6°
C15C16H162108.6°108.1°
H151C15H152110.7°106.7°
C17C16H161109.0°109.8°
C17C16H162108.6°109.0°
C16C17C18110.6°111.3°
C16C17H171109.1°110.1°
C16C17H172108.9°109.6°
H161C16H162110.7°106.7°
C18C17H171109.1°109.1°
C18C17H172108.8°109.5°
C17C18C19111.3°111.5°
C17C18H181108.9°109.9°
C17C18H182108.5°109.8°
H171C17H172110.4°107.2°
C19C18H181108.9°109.1°
C19C18H182108.5°109.2°
C18C19H191109.5°111.0°
C18C19H192109.5°111.0°
C18C19H193109.5°110.3°
H181C18H182110.9°107.2°
H191C19H192109.5°108.3°
H191C19H193109.4°108.1°
H192C19H193109.5°108.1°
O21C21C22120.6°125.0°
O21C21O42119.9°125.8°
C22C21O42119.5°109.1°
C21C22C23112.5°113.6°
C21C22H221108.4°106.4°
C21C22H222107.8°109.7°
C21O42C42113.8°115.5°
C23C22H221108.5°109.2°
C23C22H222107.8°109.8°
C22C23C24111.4°114.3°
C22C23H231108.8°111.2°
C22C23H232108.4°107.7°
H221C22H222111.9°108.0°
C24C23H231108.9°109.7°
C24C23H232108.4°107.1°
C23C24C25123.6°114.2°
C23C24H241105.0°107.8°
C23C24H242101.7°109.4°
H231C23H232110.9°106.4°
C25C24H241105.0°109.1°
C25C24H242101.7°109.6°
C24C25C26123.7°111.2°
C24C25H251105.0°109.7°
C24C25H252101.6°110.0°
H241C24H242121.3°106.5°
C26C25H251105.0°109.4°
C26C25H252101.6°108.8°
C25C26C27112.7°111.3°
C25C26H261108.4°109.6°
C25C26H262107.7°109.6°
H251C25H252121.5°107.6°
C27C26H261108.4°109.6°
C27C26H262107.6°109.5°
C26C27C28113.1°111.3°
C26C27H271108.3°109.6°
C26C27H272107.4°109.6°
H261C26H262112.1°107.2°
C28C27H271108.3°109.5°
C28C27H272107.4°109.6°
C27C28C29112.0°111.2°
C27C28H281108.6°109.6°
C27C28H282108.1°109.0°
H271C27H272112.4°107.2°
C29C28H281108.7°109.6°
C29C28H282108.1°110.1°
C28C29C30111.2°113.4°
C28C29H291108.9°109.7°
C28C29H292108.5°109.0°
H281C28H282111.5°107.3°
C30C29H291108.9°109.6°
C30C29H292108.5°108.1°
C29C30C31112.1°113.4°
C29C30H301108.6°109.6°
C29C30H302108.0°108.1°
H291C29H292110.9°106.8°
C31C30H301108.6°109.8°
C31C30H302108.0°109.0°
C30C31C32111.7°111.2°
C30C31H311108.7°109.7°
C30C31H312108.3°110.1°
H301C30H302111.5°106.7°
C32C31H311108.8°109.5°
C32C31H312108.2°109.0°
C31C32C33111.8°111.3°
C31C32H321108.7°109.6°
C31C32H322108.2°109.5°
H311C31H312111.2°107.3°
C33C32H321108.7°109.5°
C33C32H322108.2°109.6°
C32C33C34110.8°111.5°
C32C33H331109.0°109.9°
C32C33H332108.8°109.8°
H321C32H322111.3°107.2°
C34C33H331109.0°109.2°
C34C33H332108.7°109.1°
C33C34H341109.5°110.3°
C33C34H342109.5°111.1°
C33C34H343109.4°111.0°
H331C33H332110.5°107.2°
H341C34H342109.5°108.1°
H341C34H343109.4°108.0°
H342C34H343109.5°108.2°
O41C41C42111.2°109.8°
O41C41H411108.9°108.0°
O41C41H412108.5°107.3°
C42C41H411108.9°111.6°
C42C41H412108.5°111.1°
C41C42O42110.3°108.7°
C41C42C43109.6°111.5°
C41C42H42109.2°111.2°
H411C41H412110.9°108.8°
O42C42C43110.7°108.0°
O42C42H42108.1°106.8°
C43C42H42108.8°110.6°
C42C43O43112.3°109.0°
C42C43H431108.6°111.3°
C42C43H432107.9°111.1°
O43C43H431108.5°107.9°
O43C43H432107.9°108.0°
C43O43HO43109.5°106.6°
H431C43H432111.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O11C11C12O41176.1°179.8°
O11C11C12C1380.2°27.8°
O11C11C12H121159.7°150.1°
O11C11C12H12239.2°94.9°
O11C11O41C4121.0°0.1°
C11C12C13H121120.0°120.8°
C11C12C13H122119.4°121.5°
C11C12H121H122119.4°116.3°
C11C12C13C14163.1°179.2°
C11C12C13H13176.9°60.0°
C11C12C13H13243.7°56.8°
C12C11O41C41162.9°179.9°
O41C11C12C1395.9°152.3°
O41C11C12H12124.1°30.1°
O41C11C12H122144.7°84.9°
C11O41C41C42166.1°180.0°
C11O41C41H41146.1°58.1°
C11O41C41H41274.7°59.1°
C13C12H121H122119.4°120.2°
C12C13C14H131120.0°120.3°
C12C13C14H132119.4°122.9°
C12C13H131H132119.4°118.9°
C12C13C14C15175.5°178.8°
C12C13C14H14155.5°60.0°
C12C13C14H14265.0°57.4°
H121C12C13C1443.1°60.0°
H121C12C13H131163.1°60.8°
H121C12C13H13276.3°177.6°
H122C12C13C1477.5°57.7°
H122C12C13H13142.5°178.4°
H122C12C13H132163.1°64.8°
C14C13H131H132119.4°118.3°
C13C14C15H141120.0°121.2°
C13C14C15H142119.6°121.2°
C13C14H141H142119.6°118.7°
C13C14C15C16177.5°179.5°
C13C14C15H15162.5°60.0°
C13C14C15H15258.2°56.6°
H131C13C14C1564.5°60.9°
H131C13C14H141175.5°60.3°
H131C13C14H14255.0°177.7°
H132C13C14C1556.1°55.9°
H132C13C14H14163.9°177.1°
H132C13C14H142175.6°65.5°
C15C14H141H142119.5°119.1°
C14C15C16H151120.0°121.1°
C14C15C16H152119.3°123.0°
C14C15H151H152119.4°118.5°
C14C15C16C17178.4°178.9°
C14C15C16H16158.4°55.9°
C14C15C16H16262.2°60.0°
H141C14C15C1657.5°59.3°
H141C14C15H151177.5°61.2°
H141C14C15H15261.8°177.8°
H142C14C15C1662.9°58.3°
H142C14C15H15157.1°178.8°
H142C14C15H152177.7°64.6°
C16C15H151H152119.4°117.7°
C15C16C17H161120.0°123.0°
C15C16C17H162119.3°120.5°
C15C16H161H162119.3°116.7°
C15C16C17C18177.4°177.0°
C15C16C17H17162.6°62.0°
C15C16C17H17257.9°55.7°
H151C15C16C1761.6°60.0°
H151C15C16H161178.4°177.0°
H151C15C16H16257.8°61.1°
H152C15C16C1759.1°55.9°
H152C15C16H16160.9°67.2°
H152C15C16H162178.5°177.0°
C17C16H161H162119.4°118.0°
C16C17C18H171120.0°121.6°
C16C17C18H172119.5°121.4°
C16C17H171H172119.6°119.2°
C16C17C18C19177.3°178.4°
C16C17C18H18157.3°57.3°
C16C17C18H18263.4°60.4°
H161C16C17C1857.4°60.0°
H161C16C17H171177.4°61.0°
H161C16C17H17262.1°178.7°
H162C16C17C1863.2°56.5°
H162C16C17H17156.8°177.5°
H162C16C17H172177.3°64.8°
C18C17H171H172119.5°118.5°
C17C18C19H181120.0°121.6°
C17C18C19H182119.2°121.5°
C17C18H181H182119.3°119.3°
C17C18C19H19129.7°60.4°
C17C18C19H192149.7°60.1°
C17C18C19H19390.3°179.9°
H171C17C18C1962.7°60.0°
H171C17C18H181177.3°178.9°
H171C17C18H18256.5°61.2°
H172C17C18C1957.8°57.1°
H172C17C18H18162.2°64.1°
H172C17C18H182177.0°178.2°
C19C18H181H182119.3°118.1°
C18C19H191H192120.0°122.1°
C18C19H191H193120.0°121.0°
C18C19H192H193120.0°121.0°
H181C18C19H191149.7°178.1°
H181C18C19H19290.3°61.5°
H181C18C19H19329.7°58.3°
H182C18C19H19189.6°61.2°
H182C18C19H19230.5°178.4°
H182C18C19H193150.5°58.6°
H191C19H192H193119.9°116.9°
O21C21C22O42179.4°178.4°
O21C21C22C2367.0°30.1°
O21C21C22H221173.0°90.0°
O21C21C22H22251.8°153.4°
O21C21O42C42105.5°29.9°
C21C22C23H221120.0°118.5°
C21C22C23H222118.7°123.2°
C21C22H221H222118.7°117.7°
C21C22C23C24127.8°65.0°
C21C22C23H231112.2°60.0°
C21C22C23H2328.6°176.2°
C22C21O42C4275.1°151.7°
O42C21C22C23112.4°151.5°
O42C21C22H2217.6°88.4°
O42C21C22H222128.9°28.2°
C21O42C42C41126.8°60.1°
C21O42C42C43111.7°178.9°
C21O42C42H427.4°59.9°
C23C22H221H222118.8°119.4°
C22C23C24H231120.0°125.7°
C22C23C24H232119.2°119.2°
C22C23H231H232119.2°117.0°
C22C23C24C25174.4°178.7°
C22C23C24H24154.4°60.0°
C22C23C24H24272.9°55.5°
H221C22C23C247.8°176.5°
H221C22C23H231127.9°58.5°
H221C22C23H232111.4°57.7°
H222C22C23C24113.5°58.3°
H222C22C23H2316.5°176.8°
H222C22C23H232127.3°60.6°
C24C23H231H232119.2°115.5°
C23C24C25H241120.0°120.7°
C23C24C25H242112.7°123.1°
C23C24H241H242114.2°117.4°
C23C24C25C260.9°178.7°
C23C24C25H251120.9°60.1°
C23C24C25H252111.8°58.1°
H231C23C24C2565.6°52.9°
H231C23C24H241174.4°174.3°
H231C23C24H24247.1°70.3°
H232C23C24C2555.2°62.1°
H232C23C24H24164.8°59.2°
H232C23C24H242167.9°174.7°
C25C24H241H242114.1°118.2°
C24C25C26H251120.0°121.3°
C24C25C26H252112.6°121.3°
C24C25H251H252114.1°119.6°
C24C25C26C2793.8°178.6°
C24C25C26H26126.2°60.0°
C24C25C26H262147.6°57.3°
H241C24C25C26119.2°60.6°
H241C24C25H2510.9°60.6°
H241C24C25H252128.2°178.8°
H242C24C25C26113.6°55.6°
H242C24C25H251126.4°176.8°
H242C24C25H2521.0°65.0°
C26C25H251H252114.1°118.1°
C25C26C27H261120.0°121.3°
C25C26C27H262118.6°121.3°
C25C26H261H262118.7°118.8°
C25C26C27C2877.1°178.6°
C25C26C27H27142.9°60.0°
C25C26C27H272164.5°57.3°
H251C25C26C2726.2°57.3°
H251C25C26H261146.2°178.7°
H251C25C26H26292.3°64.0°
H252C25C26C27153.6°60.0°
H252C25C26H26186.4°61.3°
H252C25C26H26235.0°178.7°
C27C26H261H262118.7°118.8°
C26C27C28H271120.0°121.3°
C26C27C28H272118.4°121.3°
C26C27H271H272118.5°118.8°
C26C27C28C2985.2°178.7°
C26C27C28H281154.8°60.0°
C26C27C28H28233.7°57.1°
H261C26C27C28162.9°60.0°
H261C26C27H27177.1°61.3°
H261C26C27H27244.5°178.7°
H262C26C27C2841.5°57.3°
H262C26C27H271161.5°178.6°
H262C26C27H27276.9°64.0°
C28C27H271H272118.5°118.8°
C27C28C29H281120.0°121.3°
C27C28C29H282118.9°120.9°
C27C28H281H282119.0°118.2°
C27C28C29C30174.0°178.7°
C27C28C29H29166.0°55.8°
C27C28C29H29254.7°60.8°
H271C27C28C29154.8°57.3°
H271C27C28H28134.8°178.7°
H271C27C28H28286.3°64.2°
H272C27C28C2933.2°60.0°
H272C27C28H28186.8°61.3°
H272C27C28H282152.1°178.5°
C29C28H281H282119.0°119.5°
C28C29C30H291120.0°123.0°
C28C29C30H292119.3°121.0°
C28C29H291H292119.3°118.0°
C28C29C30C31161.4°176.9°
C28C29C30H30141.4°60.0°
C28C29C30H30279.7°55.9°
H281C28C29C3054.0°60.0°
H281C28C29H291174.0°177.1°
H281C28C29H29265.3°60.5°
H282C28C29C3067.1°57.8°
H282C28C29H29152.9°65.1°
H282C28C29H292173.6°178.3°
C30C29H291H292119.3°116.8°
C29C30C31H301120.0°123.0°
C29C30C31H302118.9°120.5°
C29C30H301H302118.9°116.8°
C29C30C31C3271.1°177.1°
C29C30C31H31148.9°55.8°
C29C30C31H312169.8°62.0°
H291C29C30C3178.6°60.0°
H291C29C30H301161.4°63.0°
H291C29C30H30240.3°178.9°
H292C29C30C3142.1°56.0°
H292C29C30H30177.9°179.0°
H292C29C30H302161.0°65.1°
C31C30H301H302119.0°118.0°
C30C31C32H311120.0°121.4°
C30C31C32H312119.1°121.6°
C30C31H311H312119.1°119.5°
C30C31C32C33170.7°178.7°
C30C31C32H32169.3°60.0°
C30C31C32H32251.7°57.3°
H301C30C31C3248.9°60.0°
H301C30C31H311168.9°178.7°
H301C30C31H31270.2°60.9°
H302C30C31C32170.0°56.5°
H302C30C31H31170.0°64.8°
H302C30C31H31250.9°177.5°
C32C31H311H312119.1°118.2°
C31C32C33H321120.0°121.3°
C31C32C33H322119.0°121.3°
C31C32H321H322119.1°118.8°
C31C32C33C34174.6°178.6°
C31C32C33H33154.6°60.2°
C31C32C33H33266.0°57.5°
H311C31C32C3350.7°59.9°
H311C31C32H321170.7°61.4°
H311C31C32H32268.3°178.7°
H312C31C32C3370.2°57.1°
H312C31C32H32149.8°178.5°
H312C31C32H322170.8°64.3°
C33C32H321H322119.1°118.9°
C32C33C34H331120.0°121.6°
C32C33C34H332119.5°121.5°
C32C33H331H332119.5°119.3°
C32C33C34H341177.0°180.0°
C32C33C34H34262.9°60.2°
C32C33C34H34357.1°60.3°
H321C32C33C3465.4°60.1°
H321C32C33H331174.6°61.1°
H321C32C33H33254.0°178.9°
H322C32C33C3455.6°57.3°
H322C32C33H33164.4°178.4°
H322C32C33H332175.0°63.8°
C34C33H331H332119.4°118.1°
C33C34H341H342120.0°121.6°
C33C34H341H343120.0°121.5°
C33C34H342H343120.0°122.1°
H331C33C34H34157.0°58.4°
H331C33C34H342177.0°178.1°
H331C33C34H34363.0°61.4°
H332C33C34H34163.5°58.5°
H332C33C34H34256.5°61.3°
H332C33C34H343176.5°178.3°
H341C34H342H343120.0°116.8°
O41C41C42H411120.0°119.7°
O41C41C42H412119.2°118.6°
O41C41H411H412119.3°116.2°
O41C41C42O4241.5°59.1°
O41C41C42C43163.6°59.7°
O41C41C42H4277.2°176.3°
C42C41H411H412119.3°123.0°
C41C42O42C43121.5°121.0°
C41C42O42H42119.4°120.0°
C41C42C43H42119.4°124.2°
C41C42C43O4350.0°178.8°
C41C42C43H431170.0°60.0°
C41C42C43H43268.8°62.3°
H411C41C42O4278.5°178.9°
H411C41C42C4343.6°60.0°
H411C41C42H42162.8°63.9°
H412C41C42O42160.7°59.5°
H412C41C42C4377.2°178.3°
H412C41C42H4242.0°57.7°
O42C42C43H42118.7°116.5°
O42C42C43O43171.9°61.9°
O42C42C43H43168.1°179.3°
O42C42C43H43253.1°57.0°
C42C43O43H431120.0°120.9°
C42C43O43H432118.8°120.8°
C42C43H431H432118.9°123.2°
C42C43O43HO43173.4°70.4°
H42C42C43O4369.4°54.6°
H42C42C43H43150.6°64.2°
H42C42C43H432171.8°173.5°
O43C43H431H432118.9°117.3°
H431C43O43HO4366.6°168.7°
H432C43O43HO4354.6°50.5°

222415

PDB entries from 2024-07-10

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