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X3H

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C13sing1.51Å1.51Å
C13C12doub1.31Å1.35Å
C18C10sing1.53Å1.51Å
C12C11sing1.51Å1.51Å
C11C10sing1.53Å1.51Å
C10C09sing1.53Å1.52Å
O09C09sing1.43Å1.41Å
O09C19sing1.43Å1.42Å
C09C08sing1.53Å1.51Å
C08C17sing1.53Å1.51Å
C08C07sing1.53Å1.51Å
C07C06sing1.53Å1.51Å
C07O07sing1.43Å1.41Å
C06C05sing1.53Å1.51Å
C15C16sing1.53Å1.51Å
C15C04sing1.53Å1.52Å
O06C05sing1.46Å1.41Å
O06C01sing1.35Å1.41Å
O01C01doub1.21Å1.21Å
C05C04sing1.53Å1.51Å
C01C02sing1.51Å1.52Å
C04C03sing1.53Å1.51Å
C02C03sing1.53Å1.52Å
C16H163sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C04H04sing1.09Å1.10Å
C03H031sing1.09Å1.10Å
C03H1sing1.09Å1.10Å
C02H021sing1.09Å1.10Å
C02H2sing1.09Å1.10Å
C05H05sing1.09Å1.10Å
C06H061sing1.09Å1.10Å
C06H062sing1.09Å1.10Å
C07H07sing1.09Å1.10Å
O07H071sing0.97Å0.95Å
C08H08sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H173sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C09H09sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C18H183sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C12H12sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C14H143sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C14C13C12119.6°119.9°
C14C13H13120.2°120.1°
C13C14H143109.5°109.5°
C13C14H141109.4°109.4°
C13C14H142109.5°109.5°
C13C12C11120.5°120.0°
C13C12H12119.8°120.0°
C12C13H13120.2°120.0°
C18C10C11108.7°109.5°
C18C10C09111.0°109.5°
C18C10H10109.2°109.5°
C10C18H183109.5°109.4°
C10C18H181109.5°109.4°
C10C18H182109.5°109.5°
C12C11C10109.0°109.5°
C12C11H111109.6°109.5°
C12C11H112109.6°109.5°
C11C12H12119.8°120.0°
C11C10C09109.6°109.5°
C11C10H10109.2°109.5°
C10C11H111109.6°109.4°
C10C11H112109.6°109.4°
C10C09O09110.3°109.5°
C10C09C08109.9°109.5°
C10C09H09108.2°109.5°
C09C10H10109.2°109.5°
C09O09C19113.7°114.0°
O09C09C08110.6°109.5°
O09C09H09109.6°109.4°
O09C19H192109.5°109.5°
O09C19H191109.5°109.5°
O09C19H193109.4°109.5°
C09C08C17108.4°109.5°
C09C08C07109.9°109.5°
C09C08H08109.8°109.4°
C08C09H09108.2°109.5°
C17C08C07109.2°109.5°
C17C08H08109.8°109.5°
C08C17H172109.5°109.4°
C08C17H173109.5°109.5°
C08C17H171109.5°109.5°
C08C07C06111.4°109.5°
C08C07O07109.1°109.5°
C08C07H07108.8°109.5°
C07C08H08109.7°109.5°
C06C07O07108.4°109.5°
C07C06C05107.6°109.5°
C07C06H061110.0°109.5°
C07C06H062109.9°109.5°
C06C07H07108.8°109.5°
O07C07H07110.3°109.5°
C07O07H071109.5°114.0°
C06C05O06109.1°109.5°
C06C05C04111.5°109.5°
C06C05H05108.9°109.5°
C05C06H061109.9°109.5°
C05C06H062110.0°109.5°
C16C15C04109.9°109.5°
C15C16H163109.5°109.4°
C15C16H161109.5°109.4°
C15C16H162109.5°109.4°
C16C15H151109.4°109.5°
C16C15H152109.4°109.4°
C15C04C05109.8°109.4°
C15C04C03109.4°109.5°
C04C15H151109.3°109.5°
C04C15H152109.3°109.5°
C15C04H04109.4°109.5°
C05O06C01109.9°115.7°
O06C05C04108.1°109.2°
O06C05H05110.4°109.5°
O06C01O01118.2°121.0°
O06C01C02122.1°118.1°
O01C01C02119.7°121.0°
C05C04C03109.0°109.4°
C05C04H04109.6°109.5°
C04C05H05108.9°109.6°
C01C02C0397.4°108.4°
C01C02H021112.4°109.7°
C01C02H2112.4°109.7°
C04C03C02117.6°109.0°
C03C04H04109.6°109.5°
C04C03H031107.4°109.6°
C04C03H1107.4°109.6°
C02C03H031107.4°109.6°
C02C03H1107.4°109.6°
C03C02H021112.4°109.7°
C03C02H2112.4°109.7°
H163C16H161109.4°109.5°
H163C16H162109.5°109.5°
H161C16H162109.5°109.5°
H151C15H152109.5°109.5°
H031C03H1109.4°109.5°
H021C02H2109.5°109.6°
H061C06H062109.5°109.5°
H172C17H173109.4°109.4°
H172C17H171109.5°109.5°
H173C17H171109.5°109.5°
H192C19H191109.4°109.4°
H192C19H193109.5°109.5°
H191C19H193109.5°109.4°
H183C18H181109.5°109.5°
H183C18H182109.5°109.5°
H181C18H182109.4°109.5°
H111C11H112109.4°109.5°
H143C14H141109.5°109.5°
H143C14H142109.5°109.5°
H141C14H142109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C14C13C12H13180.0°180.0°
C14C13C12C11179.9°180.0°
C14C13C12H120.2°0.0°
C13C14H143H141120.0°119.9°
C13C14H143H142120.0°120.0°
C13C14H141H142120.0°120.0°
C13C12C11H12180.0°180.0°
C13C12C11C10126.1°125.0°
C13C12C11H111114.0°115.0°
C13C12C11H1126.2°5.1°
C12C13C14H143180.0°60.0°
C12C13C14H14160.0°180.0°
C12C13C14H14260.0°60.0°
C18C10C11C1285.6°65.3°
C18C10C11C09121.4°120.0°
C18C10C11H10119.1°120.0°
C18C10C09H10120.5°120.0°
C18C10C09O0965.9°54.7°
C18C10C09C0856.3°65.3°
C18C10C09H09174.2°174.7°
C10C18H183H181120.0°119.9°
C10C18H183H182120.0°120.0°
C10C18H181H182120.0°120.0°
C18C10C11H111154.5°174.7°
C18C10C11H11234.4°54.7°
C12C11C10H111119.9°120.0°
C12C11C10H112120.0°120.0°
C12C11C10C09153.0°174.7°
C12C11C10H1033.5°54.7°
C12C11H111H112120.2°120.1°
C11C12C13H130.1°0.0°
C11C10C09H10119.5°120.0°
C11C10C09O0954.2°65.3°
C11C10C09C08176.3°174.7°
C11C10C09H0965.8°54.7°
C11C10C18H183180.0°180.0°
C11C10C18H18160.0°60.0°
C11C10C18H18260.0°60.0°
C10C11H111H112120.2°120.0°
C10C11C12H1253.9°55.0°
C10C09O09C08121.7°120.0°
C10C09O09H09119.0°120.0°
C10C09O09C19130.3°99.8°
C10C09C08H09117.9°120.0°
C10C09C08C1764.2°60.0°
C10C09C08C07176.5°180.0°
C10C09C08H0855.8°60.0°
C09C10C18H18359.4°60.0°
C09C10C18H18160.6°60.0°
C09C10C18H182179.5°180.0°
C09C10C11H11133.1°54.7°
C09C10C11H11287.1°65.3°
O09C09C08H09120.1°120.0°
O09C09C08C17173.8°180.0°
O09C09C08C0754.5°60.0°
O09C09C08H0866.3°60.0°
C09O09C19H192180.0°63.7°
C09O09C19H19160.0°176.2°
C09O09C19H19360.0°56.3°
O09C09C10H10173.7°174.8°
C19O09C09C08108.0°140.2°
C19O09C09H0911.2°20.2°
O09C19H192H191120.0°120.1°
O09C19H192H193120.0°120.0°
O09C19H191H193120.0°120.0°
C09C08C17C07119.7°120.0°
C09C08C17H08119.9°119.9°
C09C08C07H08120.8°119.9°
C09C08C07C06176.5°180.0°
C09C08C07O0763.9°60.0°
C09C08C07H0756.6°60.0°
C09C08C17H172180.0°60.1°
C09C08C17H17360.0°180.0°
C09C08C17H17160.0°60.0°
C08C09C10H1064.2°54.7°
C17C08C07H08120.4°120.0°
C17C08C07C0664.6°60.0°
C17C08C07O0755.0°60.0°
C17C08C07H07175.4°180.0°
C08C17H172H173120.0°119.9°
C08C17H172H171120.0°120.0°
C08C17H173H171120.0°120.1°
C17C08C09H0953.7°60.0°
C08C07C06O07120.1°120.0°
C08C07C06H07120.0°120.0°
C08C07O07H07119.5°120.1°
C08C07C06C05177.1°175.0°
C08C07C06H06157.5°55.0°
C08C07C06H06263.1°65.0°
C08C07O07H071180.0°59.9°
C07C08C17H17260.3°60.0°
C07C08C17H173179.7°60.0°
C07C08C17H17159.7°180.0°
C07C08C09H0965.6°60.0°
C06C07O07H07119.0°120.0°
C07C06C05H061119.7°120.0°
C07C06C05H062119.7°120.0°
C07C06C05O0664.5°65.0°
C07C06C05C04176.2°175.3°
C07C06C05H0556.0°55.1°
C07C06H061H062120.9°120.0°
C06C07O07H07158.5°60.0°
C06C07C08H0855.8°60.1°
O07C07C06C0562.8°65.0°
O07C07C06H061177.5°175.0°
O07C07C06H06256.9°55.0°
O07C07C08H08175.4°180.0°
C06C05C04C1562.9°57.9°
C06C05O06C04121.4°119.9°
C06C05O06H05119.6°120.1°
C06C05O06C01171.6°173.1°
C06C05C04H05120.1°120.1°
C06C05C04C03177.2°177.9°
C06C05C04H0457.3°62.1°
C05C06H061H062120.9°120.0°
C05C06C07H0757.2°55.0°
C16C15C04H151120.1°120.0°
C16C15C04H152120.1°120.0°
C16C15C04C05178.4°175.0°
C16C15C04C0362.0°65.1°
C15C16H163H161120.0°120.0°
C15C16H163H162120.0°119.9°
C15C16H161H162120.0°119.9°
C16C15H151H152119.8°119.9°
C16C15C04H0458.1°55.0°
C15C04C05O0657.0°62.0°
C15C04C05C03119.9°119.9°
C15C04C05H04120.2°120.0°
C15C04C03H04120.0°120.1°
C15C04C03C02110.1°60.0°
C04C15C16H163180.0°60.0°
C04C15C16H16160.0°180.0°
C04C15C16H16260.0°60.0°
C04C15H151H152119.8°120.1°
C15C04C03H03111.1°59.8°
C15C04C03H1128.8°179.9°
C15C04C05H05176.9°178.1°
C05O06C01O01167.7°129.3°
O06C05C04H05119.9°119.9°
C05O06C01C0214.9°50.7°
O06C05C04C0362.9°57.9°
O06C05C04H04177.3°177.9°
O06C05C06H06155.2°55.0°
O06C05C06H062175.8°175.0°
O06C01O01C02177.5°179.9°
C01O06C05C0450.1°53.2°
O06C01C02C0361.3°49.4°
O06C01C02H02156.7°70.3°
O06C01C02H2179.3°169.2°
C01O06C05H0568.9°66.8°
O01C01C02C03121.3°130.7°
O01C01C02H021120.7°109.6°
O01C01C02H23.4°10.9°
C05C04C03H04119.9°120.0°
C05C04C03C0210.1°59.9°
C05C04C15H15158.3°55.0°
C05C04C15H15261.5°65.0°
C05C04C03H031131.2°179.7°
C05C04C03H1111.1°60.0°
C04C05C06H06164.1°64.7°
C04C05C06H06256.5°55.3°
C01C02C03C0442.9°52.6°
C01C02C03H021118.0°119.7°
C01C02C03H2118.0°119.8°
C01C02C03H03178.3°172.5°
C01C02C03H1164.0°67.3°
C01C02H021H2125.7°120.5°
C04C03C02H031121.2°119.9°
C04C03C02H1121.2°119.9°
C03C04C15H151177.9°174.9°
C03C04C15H15258.1°54.8°
C04C03H031H1116.3°120.3°
C04C03C02H02175.1°67.1°
C04C03C02H2160.8°172.4°
C03C04C05H0557.1°62.0°
C02C03C04H04129.9°179.9°
C02C03H031H1116.3°120.2°
C03C02H021H2125.7°120.5°
H163C16H161H162120.0°120.1°
H163C16C15H15159.9°180.0°
H163C16C15H15260.0°60.0°
H161C16C15H15160.0°60.0°
H161C16C15H152179.9°60.0°
H162C16C15H151180.0°60.0°
H162C16C15H15260.1°180.0°
H151C15C04H0462.0°65.0°
H152C15C04H04178.1°175.0°
H04C04C03H031108.9°60.2°
H04C04C03H18.8°60.0°
H04C04C05H0562.8°58.0°
H031C03C02H021163.7°52.8°
H031C03C02H239.7°67.7°
H1C03C02H02146.1°173.0°
H1C03C02H278.0°52.5°
H05C05C06H061175.7°175.1°
H05C05C06H06263.7°64.9°
H061C06C07H0762.5°65.0°
H062C06C07H07176.9°175.0°
H07C07O07H07160.5°180.0°
H07C07C08H0864.2°59.9°
H08C08C17H17260.1°180.0°
H08C08C17H17359.9°60.1°
H08C08C17H171179.9°60.0°
H08C08C09H09173.6°180.0°
H172C17H173H171120.0°120.0°
H09C09C10H1053.7°65.3°
H192C19H191H193120.0°119.9°
H10C10C18H18361.0°60.0°
H10C10C18H181179.0°180.0°
H10C10C18H18259.1°60.0°
H10C10C11H11186.4°65.3°
H10C10C11H112153.4°174.7°
H183C18H181H182120.0°120.0°
H111C11C12H1266.1°65.0°
H112C11C12H12173.8°175.0°
H12C12C13H13179.9°180.0°
H13C13C14H1430.1°120.0°
H13C13C14H141120.0°0.1°
H13C13C14H142120.1°120.0°
H143C14H141H142120.0°120.0°

223532

PDB entries from 2024-08-07

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