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TQO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O21C17doub1.21Å1.26Å
O20C17sing1.34Å1.24Å
C17C13sing1.51Å1.52Å
C13C10sing1.53Å1.52Å
C11C14sing1.51Å1.50Å
C11C6sing1.53Å1.55Å
C10C6sing1.53Å1.53Å
C10C7sing1.53Å1.50Å
C14C19doub1.38Å1.36ÅAromatic
C14C18sing1.38Å1.41ÅAromatic
C19C23sing1.38Å1.39ÅAromatic
C6C2sing1.53Å1.50Å
C7C3sing1.53Å1.50Å
C18C22doub1.38Å1.36ÅAromatic
C23C24doub1.38Å1.36ÅAromatic
C2C1sing1.53Å1.48Å
C22C24sing1.38Å1.34ÅAromatic
C3C1sing1.53Å1.51Å
C1O5sing1.43Å1.42Å
C1O4sing1.43Å1.39Å
O5C9sing1.43Å1.33Å
O4C8sing1.43Å1.25Å
C9C12sing1.53Å1.48Å
C8C12sing1.53Å1.45Å
C12C15sing1.53Å1.49Å
C12C16sing1.53Å1.53Å
C10H101sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C15H153sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C18H181sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C23H231sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C7H72sing1.09Å1.10Å
C7H71sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C8H81sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C9H91sing1.09Å1.10Å
O20H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O21C17O20122.8°120.0°
O21C17C13116.6°120.0°
O20C17C13120.6°120.0°
C17O20H1109.5°117.0°
C17C13C10120.1°109.4°
C17C13H132106.8°109.4°
C17C13H131106.7°109.4°
C13C10C6113.0°109.4°
C13C10C7111.3°109.5°
C13C10H101106.4°109.5°
C10C13H132106.7°109.5°
C10C13H131106.8°109.5°
C14C11C6113.5°109.5°
C11C14C19122.8°120.0°
C11C14C18121.1°120.0°
C14C11H112108.4°109.5°
C14C11H111108.4°109.5°
C11C6C10115.8°109.5°
C11C6C2111.7°109.5°
C6C11H112108.5°109.4°
C6C11H111108.5°109.5°
C11C6H61105.9°109.5°
C6C10C7112.6°109.5°
C10C6C2110.2°109.5°
C6C10H101106.3°109.4°
C10C6H61106.1°109.5°
C10C7C3114.9°109.5°
C7C10H101106.6°109.5°
C10C7H72108.1°109.5°
C10C7H71108.1°109.5°
C19C14C18116.0°120.0°
C14C19C23120.0°120.0°
C14C19H191120.0°120.0°
C14C18C22124.0°120.0°
C14C18H181118.0°120.0°
C19C23C24121.2°120.0°
C23C19H191120.0°120.0°
C19C23H231119.4°120.0°
C6C2C1115.1°109.5°
C6C2H21108.0°109.5°
C6C2H22108.0°109.4°
C2C6H61106.5°109.4°
C7C3C1111.5°109.5°
C7C3H31109.0°109.5°
C7C3H32108.9°109.5°
C3C7H72108.1°109.5°
C3C7H71108.1°109.5°
C18C22C24118.2°120.0°
C22C18H181118.0°120.0°
C18C22H221120.9°120.0°
C23C24C22120.4°120.0°
C24C23H231119.4°120.0°
C23C24H241119.8°120.0°
C2C1C3108.8°109.5°
C2C1O5110.1°109.4°
C2C1O4114.0°109.5°
C1C2H21108.1°109.5°
C1C2H22108.1°109.5°
C24C22H221120.9°120.0°
C22C24H241119.8°120.0°
C3C1O5106.0°109.4°
C3C1O4105.9°109.5°
C1C3H31109.0°109.5°
C1C3H32109.0°109.5°
O5C1O4111.7°109.5°
C1O5C9115.3°113.8°
C1O4C8120.1°113.8°
O5C9C12109.6°109.0°
O5C9H92109.5°109.6°
O5C9H91109.5°109.6°
O4C8C12114.3°108.9°
O4C8H82108.3°109.6°
O4C8H81108.3°109.6°
C9C12C8110.9°108.8°
C9C12C15103.1°109.6°
C9C12C16115.6°109.6°
C12C9H92109.4°109.5°
C12C9H91109.4°109.6°
C8C12C15109.3°109.6°
C8C12C16109.9°109.6°
C12C8H82108.2°109.5°
C12C8H81108.3°109.6°
C15C12C16107.7°109.6°
C12C15H152109.5°109.4°
C12C15H153109.5°109.5°
C12C15H151109.4°109.5°
C12C16H163109.5°109.5°
C12C16H162109.5°109.5°
C12C16H161109.4°109.5°
H112C11H111109.5°109.4°
H132C13H131109.4°109.5°
H152C15H153109.5°109.4°
H152C15H151109.5°109.5°
H153C15H151109.5°109.5°
H163C16H162109.5°109.5°
H163C16H161109.5°109.4°
H162C16H161109.5°109.5°
H21C2H22109.5°109.5°
H31C3H32109.5°109.4°
H72C7H71109.5°109.5°
H82C8H81109.5°109.7°
H92C9H91109.4°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O21C17O20C13179.8°179.9°
O21C17C13C1047.8°0.0°
O21C17C13H132169.3°120.0°
O21C17C13H13173.7°120.0°
O21C17O20H10.0°0.0°
O20C17C13C10132.0°180.0°
O20C17C13H13210.5°60.0°
O20C17C13H131106.5°60.0°
C17C13C10H132121.5°120.0°
C17C13C10H131121.5°120.0°
C17C13C10C666.5°175.0°
C17C13C10C7165.6°65.0°
C17C13C10H10149.9°55.1°
C17C13H132H131115.2°120.0°
C13C17O20H1179.8°180.0°
C13C10C6C1158.2°60.0°
C13C10C6C7127.2°120.0°
C13C10C6H101116.4°119.9°
C13C10C7H101115.6°120.0°
C13C10C6C2173.9°179.9°
C13C10C7C3175.7°179.9°
C10C13H132H131115.2°120.1°
C13C10C6H6159.0°60.0°
C13C10C7H7254.9°59.9°
C13C10C7H7163.5°60.1°
C14C11C6H112120.6°120.1°
C14C11C6H111120.6°120.0°
C14C11C6C10171.8°175.0°
C11C14C19C18175.5°180.0°
C11C14C19C23178.3°179.5°
C14C11C6C261.0°65.0°
C11C14C18C22176.4°180.0°
C14C11H112H111118.1°120.0°
C11C14C18H1813.6°0.3°
C11C14C19H1911.7°0.2°
C14C11C6H6154.5°55.0°
C11C6C10C2127.9°120.0°
C11C6C10H61117.2°120.0°
C11C6C10C7174.7°180.0°
C6C11C14C19111.6°90.1°
C6C11C14C1863.6°90.0°
C11C6C2H61115.2°120.0°
C11C6C2C1175.3°180.0°
C11C6C10H10158.2°59.9°
C6C11H112H111118.2°119.9°
C11C6C2H2163.9°60.0°
C11C6C2H2254.5°60.0°
C6C10C7H101116.3°120.0°
C10C6C2H61114.7°120.0°
C6C10C7C347.6°59.9°
C10C6C2C154.6°60.0°
C10C6C11H11251.2°64.9°
C10C6C11H11167.6°55.0°
C6C10C13H13255.0°65.0°
C6C10C13H131172.0°55.0°
C10C6C2H2166.2°180.0°
C10C6C2H22175.4°60.0°
C6C10C7H7273.2°60.0°
C6C10C7H71168.4°180.0°
C7C10C6C246.7°59.9°
C10C7C3H72120.8°120.0°
C10C7C3H71120.8°120.0°
C10C7C3C151.9°60.0°
C7C10C13H13272.9°55.0°
C7C10C13H13144.1°175.1°
C10C7C3H31172.1°60.0°
C10C7C3H3268.4°180.0°
C7C10C6H6168.1°60.0°
C10C7H72H71117.5°120.0°
C14C19C23H191180.0°179.3°
C19C14C18C220.9°0.0°
C14C19C23C241.2°0.8°
C19C14C11H112127.8°30.0°
C19C14C11H1119.0°149.9°
C19C14C18H181179.1°179.7°
C14C19C23H231178.8°179.2°
C18C14C19C232.8°0.5°
C14C18C22H181180.0°179.7°
C14C18C22C242.8°0.3°
C18C14C11H11257.0°150.0°
C18C14C11H111175.7°30.0°
C18C14C19H191177.2°179.8°
C14C18C22H221177.2°179.7°
C19C23C24H231180.0°180.0°
C19C23C24C222.6°0.5°
C19C23C24H241177.4°179.5°
C6C2C1H21120.8°120.0°
C6C2C1H22120.8°120.0°
C6C2C1C358.7°60.0°
C6C2C1O557.0°59.8°
C6C2C1O4176.6°179.9°
C2C6C10H10169.7°60.1°
C2C6C11H112178.4°55.1°
C2C6C11H11159.6°175.0°
C6C2H21H22117.4°119.9°
C7C3C1C255.0°60.0°
C7C3C1H31120.3°120.0°
C7C3C1H32120.3°120.0°
C7C3C1O563.3°59.8°
C7C3C1O4177.9°179.9°
C3C7C10H10168.7°60.0°
C7C3H31H32119.1°120.0°
C3C7H72H71117.5°120.0°
C18C22C24C234.5°0.0°
C18C22C24H221180.0°180.0°
C18C22C24H241175.6°180.0°
C23C24C22H241180.0°180.0°
C24C23C19H191178.8°180.0°
C23C24C22H221175.5°180.0°
C2C1C3O5118.3°119.9°
C2C1C3O4122.9°120.1°
C2C1O5O4127.7°120.0°
C2C1O5C979.8°178.8°
C2C1O4C883.3°178.7°
C1C2H21H22117.4°120.0°
C2C1C3H31175.3°60.0°
C2C1C3H3265.3°179.9°
C1C2C6H6160.1°60.0°
C24C22C18H181177.2°180.0°
C22C24C23H231177.4°179.5°
C3C1O5O4114.8°120.1°
C3C1O5C9162.7°61.3°
C3C1O4C8157.1°61.2°
C3C1C2H2162.1°180.0°
C3C1C2H22179.6°59.9°
C1C3H31H32119.1°120.0°
C1C3C7H7268.9°60.0°
C1C3C7H71172.7°180.0°
O5C1O4C842.3°58.7°
C1O5C9C1253.9°57.9°
O5C1C2H21177.8°60.2°
O5C1C2H2263.9°179.8°
O5C1C3H3156.9°179.8°
O5C1C3H32176.4°60.2°
C1O5C9H9266.1°177.8°
C1O5C9H91174.0°62.0°
O4C1O5C947.9°58.8°
C1O4C8C1243.3°57.9°
O4C1C2H2155.8°59.9°
O4C1C2H2262.5°60.1°
O4C1C3H3161.8°60.1°
O4C1C3H3257.7°59.9°
C1O4C8H82164.0°61.9°
C1O4C8H8177.4°177.8°
O5C9C12H92120.0°119.9°
O5C9C12H91120.0°119.9°
O5C9C12C851.5°54.5°
O5C9C12C15168.4°65.3°
O5C9C12C1674.4°174.4°
O5C9H92H91120.0°120.2°
O4C8C12C946.4°54.5°
O4C8C12H82120.7°119.8°
O4C8C12H81120.7°119.9°
O4C8C12C15159.4°65.3°
O4C8C12C1682.6°174.3°
O4C8H82H81117.8°120.3°
C9C12C8C15113.0°119.8°
C9C12C8C16129.0°119.8°
C9C12C15C16122.7°120.3°
C9C12C15H152180.0°59.4°
C9C12C15H15360.0°60.6°
C9C12C15H15160.0°179.3°
C9C12C16H163180.0°179.3°
C9C12C16H16260.0°60.6°
C9C12C16H16160.0°59.4°
C9C12C8H82167.1°65.3°
C9C12C8H8174.3°174.4°
C12C9H92H91119.9°120.3°
C8C12C15C16119.3°120.3°
C8C12C15H15262.0°60.0°
C8C12C15H15358.0°180.0°
C8C12C15H151178.0°60.0°
C8C12C16H16353.6°59.9°
C8C12C16H162173.6°180.0°
C8C12C16H16166.4°60.0°
C12C8H82H81117.8°120.3°
C8C12C9H9268.6°174.4°
C8C12C9H91171.5°65.3°
C12C15H152H153120.0°120.0°
C12C15H152H151120.0°120.0°
C12C15H153H151120.0°120.0°
C15C12C16H16365.4°60.4°
C15C12C16H16254.6°59.7°
C15C12C16H161174.6°179.7°
C15C12C8H8279.9°174.8°
C15C12C8H8138.7°54.5°
C15C12C9H9248.3°54.6°
C15C12C9H9171.6°174.8°
C16C12C15H15257.3°179.7°
C16C12C15H153177.3°59.7°
C16C12C15H15162.7°60.4°
C12C16H163H162120.0°120.1°
C12C16H163H161120.0°119.9°
C12C16H162H161120.0°120.0°
C16C12C8H8238.0°54.5°
C16C12C8H81156.7°65.8°
C16C12C9H92165.5°65.8°
C16C12C9H9145.6°54.5°
H101C10C13H132171.4°175.1°
H101C10C13H13171.6°64.9°
H101C10C6H61175.4°179.9°
H101C10C7H72170.5°180.0°
H101C10C7H7152.1°60.0°
H112C11C6H6166.1°175.0°
H111C11C6H61175.1°65.1°
H152C15H153H151120.0°120.0°
H163C16H162H161120.0°119.9°
H181C18C22H2212.8°0.0°
H191C19C23H2311.2°0.0°
H221C22C24H2414.4°0.0°
H231C23C24H2412.6°0.5°
H21C2C6H61179.1°60.0°
H22C2C6H6160.7°180.0°
H31C3C7H7251.4°180.0°
H31C3C7H7167.1°60.0°
H32C3C7H72170.8°60.0°
H32C3C7H7152.4°60.0°

222415

PDB entries from 2024-07-10

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