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CXE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.52Å0.00Å
C1H011sing1.10Å0.00Å
C1H012sing1.09Å0.00Å
C1H013sing1.09Å0.00Å
C2C3sing1.53Å57.36Å
C2H021sing1.10Å0.00Å
C2H022sing1.10Å0.00Å
C3C4sing1.53Å1.53Å
C3H031sing1.10Å1.10Å
C3H032sing1.10Å1.10Å
C4C5sing1.53Å1.53Å
C4H041sing1.10Å1.10Å
C4H042sing1.10Å1.10Å
C5C6sing1.53Å1.53Å
C5H051sing1.10Å1.10Å
C5H052sing1.10Å1.10Å
C6C7sing1.53Å1.53Å
C6H061sing1.10Å1.10Å
C6H062sing1.10Å1.10Å
C7C8sing1.53Å1.53Å
C7H071sing1.10Å1.10Å
C7H072sing1.10Å1.10Å
C8C9sing1.53Å1.53Å
C8H081sing1.10Å1.10Å
C8H082sing1.10Å1.10Å
C9C10sing1.52Å1.52Å
C9H091sing1.10Å1.10Å
C9H092sing1.10Å1.10Å
C10O11sing1.42Å1.43Å
C10H101sing1.09Å1.10Å
C10H102sing1.10Å1.10Å
O11C12sing1.42Å1.43Å
C12C13sing1.52Å1.51Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13O14sing1.42Å1.42Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
O14C15sing1.42Å1.44Å
C15C16sing1.52Å1.53Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C16O17sing1.42Å1.45Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
O17C18sing1.42Å1.45Å
C18C19sing1.52Å1.53Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C19O20sing1.42Å1.43Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
O20C21sing1.42Å1.45Å
C21C22sing1.52Å1.53Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C22O23sing1.42Å1.43Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
O23C24sing1.42Å62.47Å
C24C25sing1.52Å0.00Å
C24H241sing1.09Å0.00Å
C24H242sing1.09Å0.00Å
C25O26sing1.42Å0.00Å
C25H251sing1.09Å0.00Å
C25H252sing1.09Å0.00Å
O26H26sing0.97Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H01190.0°111.0°
C2C1H01290.0°111.0°
C2C1H01390.0°110.3°
C1C2C390.0°111.5°
C1C2H02190.0°109.1°
C1C2H02290.0°109.1°
H011C1H01290.0°108.4°
H011C1H01390.0°108.1°
H012C1H01390.0°108.1°
C3C2H02190.0°109.8°
C3C2H02290.0°109.9°
C2C3C462.7°111.3°
C2C3H031129.4°109.6°
C2C3H032134.6°109.5°
H021C2H02290.0°107.3°
C4C3H031129.4°109.6°
C4C3H032134.6°109.6°
C3C4C5111.5°111.2°
C3C4H041108.8°109.1°
C3C4H042108.3°109.6°
H031C3H03276.8°107.2°
C5C4H041108.8°110.0°
C5C4H042108.3°109.6°
C4C5C6114.9°113.4°
C4C5H051107.7°109.8°
C4C5H052106.4°109.0°
H041C4H042111.1°107.3°
C6C5H051107.7°109.5°
C6C5H052106.4°108.1°
C5C6C7109.4°113.5°
C5C6H061109.5°109.7°
C5C6H062109.5°108.1°
H051C5H052113.9°106.7°
C7C6H061109.5°109.8°
C7C6H062109.5°109.0°
C6C7C8114.9°111.2°
C6C7H071107.7°109.6°
C6C7H072106.4°110.0°
H061C6H062109.4°106.7°
C8C7H071107.7°109.6°
C8C7H072106.5°109.0°
C7C8C9114.2°111.3°
C7C8H081107.9°109.5°
C7C8H082106.8°109.4°
H071C7H072113.8°107.3°
C9C8H081107.9°109.5°
C9C8H082106.9°109.9°
C8C9C10113.5°112.2°
C8C9H091108.2°109.7°
C8C9H092107.2°108.9°
H081C8H082113.2°107.2°
C10C9H091108.2°109.0°
C10C9H092107.2°109.2°
C9C10O11110.7°110.0°
C9C10H101109.1°110.0°
C9C10H102108.8°111.0°
H091C9H092112.7°107.7°
O11C10H101109.1°108.4°
O11C10H102108.8°108.8°
C10O11C12118.7°111.6°
H101C10H102110.4°108.6°
O11C12C13105.3°109.1°
O11C12H121110.9°108.1°
O11C12H122111.8°108.3°
C13C12H121110.9°111.1°
C13C12H122111.8°110.5°
C12C13O14113.3°109.0°
C12C13H131108.2°111.1°
C12C13H132107.3°110.5°
H121C12H122106.3°109.7°
O14C13H131108.2°108.2°
O14C13H132107.4°108.3°
C13O14C15112.1°111.5°
H131C13H132112.5°109.7°
O14C15C16112.5°109.1°
O14C15H151108.5°108.1°
O14C15H152107.8°108.2°
C16C15H151108.5°111.1°
C16C15H152107.8°110.5°
C15C16O17114.8°109.1°
C15C16H161107.7°111.1°
C15C16H162106.5°110.5°
H151C15H152111.9°109.7°
O17C16H161107.8°108.2°
O17C16H162106.5°108.3°
C16O17C18115.1°111.5°
H161C16H162113.7°109.6°
O17C18C19111.3°109.0°
O17C18H181108.9°108.1°
O17C18H182108.5°108.3°
C19C18H181108.9°111.1°
C19C18H182108.5°110.5°
C18C19O20111.9°109.0°
C18C19H191108.7°111.1°
C18C19H192108.1°110.5°
H181C18H182110.9°109.7°
O20C19H191108.6°108.2°
O20C19H192108.2°108.3°
C19O20C21117.3°111.5°
H191C19H192111.4°109.7°
O20C21C22110.3°109.0°
O20C21H211109.2°108.1°
O20C21H212109.0°108.3°
C22C21H211109.2°111.1°
C22C21H212109.0°110.5°
C21C22O23111.5°109.0°
C21C22H221108.8°111.1°
C21C22H222108.4°110.5°
H211C21H212110.1°109.7°
O23C22H221108.8°108.1°
O23C22H222108.3°108.3°
C22O23C2477.8°111.5°
H221C22H222111.1°109.7°
O23C24C2590.0°109.0°
O23C24H24190.0°108.1°
O23C24H24290.0°108.3°
C25C24H24190.0°111.1°
C25C24H24290.0°110.5°
C24C25O2690.0°109.0°
C24C25H25190.0°111.1°
C24C25H25290.0°110.5°
H241C24H24290.0°109.7°
O26C25H25190.0°108.2°
O26C25H25290.0°108.2°
C25O26H2690.0°106.7°
H251C25H25290.0°109.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H011H01290.0°122.1°
C2C1H011H01390.0°121.0°
C2C1H012H01390.0°121.1°
C1C2C3H02190.0°121.1°
C1C2C3H02290.0°121.1°
C1C2H021H02290.0°118.1°
C1C2C3C490.0°178.6°
C1C2C3H03190.0°60.0°
C1C2C3H03290.0°57.3°
H011C1H012H01390.0°116.9°
H011C1C2C390.0°60.3°
H011C1C2H02190.0°178.2°
H011C1C2H02290.0°61.2°
H012C1C2C390.0°60.2°
H012C1C2H02190.0°61.3°
H012C1C2H02290.0°178.2°
H013C1C2C390.0°180.0°
H013C1C2H02190.0°58.5°
H013C1C2H02290.0°58.5°
C3C2H021H02290.0°119.4°
C2C3C4H031120.0°121.4°
C2C3C4H032126.9°121.3°
C2C3H031H032137.7°118.7°
C2C3C4C5137.9°178.4°
C2C3C4H04117.9°60.1°
C2C3C4H042102.9°57.2°
H021C2C3C490.0°57.5°
H021C2C3H03190.0°178.9°
H021C2C3H03290.0°63.8°
H022C2C3C490.0°60.3°
H022C2C3H03190.0°61.1°
H022C2C3H03290.0°178.4°
C4C3H031H032137.7°118.8°
C3C4C5H041120.0°120.9°
C3C4C5H042119.1°121.3°
C3C4H041H042119.1°118.6°
C3C4C5C691.5°177.1°
C3C4C5H05128.5°60.0°
C3C4C5H052150.9°56.6°
H031C3C4C5102.0°60.2°
H031C3C4H041137.9°61.4°
H031C3C4H04217.1°178.6°
H032C3C4C511.0°57.2°
H032C3C4H041109.0°178.7°
H032C3C4H042130.2°64.1°
C5C4H041H042119.2°119.2°
C4C5C6H051120.0°123.0°
C4C5C6H052117.5°121.0°
C4C5H051H052117.7°118.0°
C4C5C6C7123.3°176.9°
C4C5C6H0613.3°60.0°
C4C5C6H062116.7°56.0°
H041C4C5C6148.5°62.0°
H041C4C5H05191.5°60.9°
H041C4C5H05230.9°177.5°
H042C4C5C627.6°55.8°
H042C4C5H051147.6°178.7°
H042C4C5H05289.9°64.7°
C6C5H051H052117.8°116.8°
C5C6C7H061120.0°123.1°
C5C6C7H062120.0°120.4°
C5C6H061H062120.0°116.8°
C5C6C7C8166.7°178.8°
C5C6C7H07146.7°59.9°
C5C6C7H07275.8°57.8°
H051C5C6C7116.7°60.1°
H051C5C6H061123.3°63.1°
H051C5C6H0623.3°179.0°
H052C5C6C75.8°55.9°
H052C5C6H061114.2°179.0°
H052C5C6H062125.8°65.1°
C7C6H061H062120.0°117.9°
C6C7C8H071120.0°121.3°
C6C7C8H072117.6°121.5°
C6C7H071H072117.8°119.4°
C6C7C8C9169.1°178.8°
C6C7C8H08170.9°60.0°
C6C7C8H08251.2°57.2°
H061C6C7C873.4°55.7°
H061C6C7H071166.7°177.0°
H061C6C7H07244.2°65.2°
H062C6C7C846.6°60.8°
H062C6C7H07173.3°60.5°
H062C6C7H072164.2°178.3°
C8C7H071H072117.8°118.2°
C7C8C9H081120.0°121.2°
C7C8C9H082117.9°121.3°
C7C8H081H082118.0°118.5°
C7C8C9C10118.4°178.6°
C7C8C9H0911.6°60.0°
C7C8C9H092123.4°57.6°
H071C7C8C949.1°57.5°
H071C7C8H081169.1°178.7°
H071C7C8H08268.8°64.1°
H072C7C8C973.3°59.7°
H072C7C8H08146.7°61.5°
H072C7C8H082168.7°178.7°
C9C8H081H082118.1°119.2°
C8C9C10H091120.0°121.8°
C8C9C10H092118.2°120.8°
C8C9H091H092118.3°118.3°
C8C9C10O11155.2°179.2°
C8C9C10H10184.8°60.0°
C8C9C10H10235.7°60.3°
H081C8C9C10121.6°60.1°
H081C8C9H091118.4°61.3°
H081C8C9H0923.3°178.8°
H082C8C9C100.5°57.3°
H082C8C9H091119.5°178.7°
H082C8C9H092118.7°63.7°
C10C9H091H092118.4°118.4°
C9C10O11H101120.0°120.3°
C9C10O11H102119.5°121.8°
C9C10H101H102119.5°121.7°
C9C10O11C1276.8°180.0°
H091C9C10O1135.2°57.5°
H091C9C10H101155.2°61.8°
H091C9C10H10284.3°177.9°
H092C9C10O1186.6°60.0°
H092C9C10H10133.4°179.2°
H092C9C10H102153.9°60.5°
O11C10H101H102119.5°118.1°
C10O11C12C13112.3°179.0°
C10O11C12H121127.7°60.0°
C10O11C12H1229.2°58.7°
H101C10O11C1243.2°59.7°
H102C10O11C12163.7°58.2°
O11C12C13H121120.0°119.1°
O11C12C13H122121.6°118.9°
O11C12H121H122121.7°117.8°
O11C12C13O14132.2°60.9°
O11C12C13H131107.8°180.0°
O11C12C13H13213.9°58.0°
C13C12H121H122121.7°122.5°
C12C13O14H131120.0°121.0°
C12C13O14H132118.3°120.2°
C12C13H131H132118.4°122.5°
C12C13O14C15143.4°180.0°
H121C12C13O1412.2°180.0°
H121C12C13H131132.3°60.9°
H121C12C13H132106.1°61.1°
H122C12C13O14106.2°58.0°
H122C12C13H13113.8°61.1°
H122C12C13H132135.4°176.9°
O14C13H131H132118.4°117.9°
C13O14C15C16154.3°179.1°
C13O14C15H15134.3°60.0°
C13O14C15H15287.0°58.8°
H131C13O14C1596.6°59.0°
H132C13O14C1525.0°59.7°
O14C15C16H151120.0°119.1°
O14C15C16H152118.7°118.9°
O14C15H151H152118.8°117.8°
O14C15C16O17112.6°59.1°
O14C15C16H1617.4°60.1°
O14C15C16H162129.8°178.0°
C16C15H151H152118.8°122.5°
C15C16O17H161120.0°121.0°
C15C16O17H162117.6°120.3°
C15C16H161H162117.8°122.4°
C15C16O17C18151.1°180.0°
H151C15C16O17127.4°60.0°
H151C15C16H161112.6°179.2°
H151C15C16H1629.8°58.9°
H152C15C16O176.1°178.0°
H152C15C16H161126.1°58.8°
H152C15C16H162111.5°63.1°
O17C16H161H162117.8°117.9°
C16O17C18C19115.8°179.0°
C16O17C18H181124.1°60.0°
C16O17C18H1823.4°58.8°
H161C16O17C1831.1°59.0°
H162C16O17C1891.3°59.7°
O17C18C19H181120.0°119.1°
O17C18C19H182119.3°118.9°
O17C18H181H182119.3°117.9°
O17C18C19O20128.5°60.9°
O17C18C19H191111.5°180.0°
O17C18C19H1929.5°58.0°
C19C18H181H182119.3°122.5°
C18C19O20H191120.0°120.9°
C18C19O20H192119.0°120.2°
C18C19H191H192119.0°122.4°
C18C19O20C21135.9°179.0°
H181C18C19O208.5°180.0°
H181C18C19H191128.5°60.9°
H181C18C19H192110.5°61.1°
H182C18C19O20112.2°58.0°
H182C18C19H1917.7°61.1°
H182C18C19H192128.8°176.8°
O20C19H191H192119.1°117.9°
C19O20C21C2277.9°180.0°
C19O20C21H21142.1°59.1°
C19O20C21H212162.4°59.8°
H191C19O20C21104.1°60.0°
H192C19O20C2117.0°58.8°
O20C21C22H211120.0°119.1°
O20C21C22H212119.7°118.9°
O20C21H211H212119.7°117.9°
O20C21C22O23172.4°60.9°
O20C21C22H22167.6°180.0°
O20C21C22H22253.3°58.0°
C22C21H211H212119.6°122.5°
C21C22O23H221120.0°120.9°
C21C22O23H222119.1°120.3°
C21C22H221H222119.2°122.5°
C21C22O23C2432.9°179.0°
H211C21C22O2352.4°180.0°
H211C21C22H221172.4°60.9°
H211C21C22H22266.7°61.1°
H212C21C22O2367.9°58.0°
H212C21C22H22152.1°61.1°
H212C21C22H222172.9°176.9°
O23C22H221H222119.2°117.9°
C22O23C24C2590.0°180.0°
C22O23C24H24190.0°59.0°
C22O23C24H24290.0°59.8°
H221C22O23C2487.1°60.0°
H222C22O23C24152.1°58.8°
O23C24C25H24190.0°119.1°
O23C24C25H24290.0°118.9°
O23C24H241H24290.0°117.9°
O23C24C25O2690.0°59.2°
O23C24C25H25190.0°60.0°
O23C24C25H25290.0°178.0°
C25C24H241H24290.0°122.5°
C24C25O26H25190.0°120.9°
C24C25O26H25290.0°120.2°
C24C25H251H25290.0°122.5°
C24C25O26H2690.0°52.6°
H241C24C25O2690.0°60.0°
H241C24C25H25190.0°179.1°
H241C24C25H25290.0°58.9°
H242C24C25O2690.0°178.0°
H242C24C25H25190.0°58.9°
H242C24C25H25290.0°63.2°
O26C25H251H25290.0°117.9°
H251C25O26H2690.0°68.3°
H252C25O26H2690.0°172.8°

218853

PDB entries from 2024-04-24

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