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SummaryGeometryRelated PDB entries

XUB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N01C02sing1.50Å1.45Å
N01C03sing1.49Å1.47Å
C03C04sing1.50Å1.51Å
C02C05sing1.51Å1.49Å
C04C05sing1.58Å1.43Å
C05C06sing1.51Å1.49Å
C06N07sing1.50Å1.44Å
C04C08sing1.49Å1.51Å
N07C08sing1.49Å1.49Å
N01C11sing1.35Å1.46Å
C11C12sing1.48Å1.50Å
C11O13doub1.22Å1.22Å
C12C14doub1.40Å1.43ÅAromatic
C14C15sing1.36Å1.39ÅAromatic
C12C16sing1.39Å1.39ÅAromatic
C16C17doub1.40Å1.44ÅAromatic
C15C18doub1.39Å1.43ÅAromatic
C17C18sing1.41Å1.39ÅAromatic
C18N19sing1.37Å1.39ÅAromatic
N19N20sing1.40Å1.38ÅAromatic
C17N21sing1.35Å1.38ÅAromatic
N20N21doub1.29Å1.38ÅAromatic
N07C22sing1.35Å1.42Å
C22C23sing1.48Å1.54Å
C22O24doub1.22Å1.22Å
C23C25doub1.40Å1.42ÅAromatic
C25C26sing1.38Å1.38ÅAromatic
C26C27doub1.40Å1.42ÅAromatic
C27C28sing1.40Å1.42ÅAromatic
C23C29sing1.40Å1.42ÅAromatic
C28C29doub1.38Å1.37ÅAromatic
C27C30sing1.48Å1.39Å
C30C31doub1.39Å1.40ÅAromatic
C31C32sing1.38Å1.39ÅAromatic
C32C33doub1.38Å1.44ÅAromatic
C33C34sing1.38Å1.39ÅAromatic
C30C35sing1.39Å1.42ÅAromatic
C34C35doub1.38Å1.40ÅAromatic
C33CL36sing1.74Å1.71Å
C02H37sing1.09Å1.10Å
C02H38sing1.09Å1.10Å
C04H10sing1.09Å1.10Å
C05H09sing1.09Å1.10Å
C06H41sing1.09Å1.10Å
C06H42sing1.09Å1.10Å
C15H46sing1.08Å1.08Å
C16H47sing1.08Å1.08Å
C25H49sing1.08Å1.08Å
C26H50sing1.08Å1.08Å
C28H51sing1.08Å1.08Å
C03H40sing1.09Å1.10Å
C03H39sing1.09Å1.10Å
C08H44sing1.09Å1.10Å
C08H43sing1.09Å1.10Å
C14H45sing1.08Å1.08Å
N19H48sing0.97Å1.00Å
C29H52sing1.08Å1.08Å
C31H53sing1.08Å1.08Å
C32H54sing1.08Å1.08Å
C34H55sing1.08Å1.08Å
C35H56sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C02N01C03110.3°107.7°
N01C02C0597.5°102.4°
C02N01C11123.4°126.1°
N01C02H37112.4°110.8°
N01C02H38112.4°111.0°
N01C03C0495.9°104.6°
C03N01C11126.2°126.1°
N01C03H40112.7°110.4°
N01C03H39112.7°110.4°
C03C04C0596.5°100.6°
C03C04C08119.4°129.3°
C03C04H10112.2°107.9°
C04C03H40112.7°110.4°
C04C03H39112.8°110.4°
C02C05C0497.4°97.8°
C02C05C06120.5°124.1°
C05C02H37112.4°110.9°
C05C02H38112.4°110.8°
C02C05H09111.3°111.2°
C04C05C06103.1°97.8°
C05C04C08101.3°100.7°
C05C04H10113.6°107.5°
C04C05H09112.1°111.9°
C05C06N07101.8°102.4°
C06C05H09111.2°111.7°
C05C06H41111.3°110.8°
C05C06H42111.4°110.8°
C06N07C08110.7°107.7°
C06N07C22124.4°126.1°
N07C06H41111.4°110.9°
N07C06H42111.4°110.8°
C04C08N0798.4°104.6°
C08C04H10112.2°108.6°
C04C08H44112.2°110.4°
C04C08H43112.2°110.4°
C08N07C22124.8°126.2°
N07C08H44112.2°110.4°
N07C08H43112.2°110.4°
N01C11C12122.1°120.0°
N01C11O13118.0°120.0°
C12C11O13119.7°120.0°
C11C12C14116.9°119.8°
C11C12C16121.3°119.9°
C12C14C15119.7°120.4°
C14C12C16121.8°120.3°
C12C14H45120.2°119.8°
C14C15C18119.3°120.2°
C14C15H46120.3°119.9°
C15C14H45120.1°119.8°
C12C16C17117.8°119.5°
C12C16H47121.1°120.3°
C16C17C18120.7°119.4°
C16C17N21131.7°133.0°
C17C16H47121.1°120.2°
C15C18C17120.7°120.2°
C15C18N19130.4°133.7°
C18C15H46120.4°120.0°
C17C18N19108.8°106.1°
C18C17N21107.7°107.6°
C18N19N20106.4°106.7°
C18N19H48126.8°126.7°
N19N20N21109.5°109.5°
N20N19H48126.8°126.7°
C17N21N20107.6°110.2°
N07C22C23121.8°120.0°
N07C22O24120.8°120.0°
C23C22O24117.4°120.0°
C22C23C25118.2°120.0°
C22C23C29119.5°120.0°
C23C25C26118.6°120.0°
C25C23C29122.2°120.0°
C23C25H49120.7°120.0°
C25C26C27118.9°120.0°
C26C25H49120.7°120.0°
C25C26H50120.5°120.0°
C26C27C28122.2°120.1°
C26C27C30118.2°120.0°
C27C26H50120.5°120.0°
C27C28C29118.7°120.0°
C28C27C30119.5°120.0°
C27C28H51120.7°120.0°
C23C29C28119.3°120.0°
C23C29H52120.4°120.0°
C29C28H51120.6°120.0°
C28C29H52120.3°120.0°
C27C30C31118.7°120.1°
C27C30C35120.0°120.1°
C30C31C32119.8°119.9°
C31C30C35121.3°119.8°
C30C31H53120.1°120.1°
C31C32C33118.8°120.1°
C32C31H53120.1°120.0°
C31C32H54120.6°119.9°
C32C33C34121.4°120.3°
C32C33CL36119.3°119.9°
C33C32H54120.6°120.0°
C33C34C35119.1°120.1°
C34C33CL36119.3°119.9°
C33C34H55120.5°120.0°
C30C35C34119.6°119.9°
C30C35H56120.2°120.1°
C35C34H55120.5°120.0°
C34C35H56120.2°120.0°
H37C02H38109.5°110.7°
H41C06H42109.5°110.9°
H40C03H39109.5°110.5°
H44C08H43109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C02N01C03C11177.6°180.0°
C02N01C03C0420.1°6.8°
N01C02C05H37118.0°118.2°
N01C02C05H38118.0°118.4°
N01C02C05C0449.9°45.7°
N01C02C05C06159.8°150.6°
C02N01C11C12177.2°175.5°
C02N01C11O132.8°4.5°
N01C02H37H38125.6°123.6°
N01C02C05H0967.4°71.5°
C02N01C03H40137.8°111.9°
C02N01C03H3997.6°125.5°
N01C03C04H40117.7°118.8°
N01C03C04H39117.7°118.8°
C03N01C02C0516.9°25.8°
N01C03C04C0550.9°35.0°
N01C03C04C08157.8°148.4°
C03N01C11C125.6°4.6°
C03N01C11O13179.9°175.4°
C03N01C02H37135.0°92.4°
C03N01C02H38101.0°144.1°
N01C03C04H1067.9°77.5°
N01C03H40H39126.3°122.5°
C03C04C05C0264.5°50.1°
C03C04C05C08121.8°133.7°
C03C04C05H10117.7°112.8°
C03C04C05C06171.8°176.3°
C03C04C08H10134.4°133.8°
C03C04C08N07147.4°148.4°
C04C03N01C11157.4°173.3°
C03C04C05H0952.1°66.6°
C04C03H40H39126.4°122.4°
C03C04C08H4494.5°92.8°
C03C04C08H4329.2°29.6°
C02C05C04C06123.8°126.2°
C02C05C04H09116.6°116.7°
C02C05C06H09132.8°137.7°
C02C05C06N07142.1°150.6°
C02C05C04C08173.7°176.2°
C05C02N01C11165.4°154.1°
C05C02H37H38125.6°123.4°
C02C05C04H1053.2°62.7°
C02C05C06H4199.1°91.2°
C02C05C06H4223.4°32.3°
C04C05C06H09120.3°117.3°
C04C05C06N0735.2°45.6°
C05C04C08H10121.5°112.8°
C05C04C08N0743.2°35.0°
C04C05C02H37167.9°72.6°
C04C05C02H3868.2°164.1°
C04C05C06H41154.0°163.9°
C04C05C06H4283.5°72.6°
C05C04C03H40168.6°83.7°
C05C04C03H3966.8°153.8°
C05C04C08H44161.4°153.8°
C05C04C08H4374.9°83.7°
C05C06N07H41118.7°118.2°
C05C06N07H42118.8°118.2°
C06C05C04C0850.0°50.1°
C05C06N07C086.9°25.8°
C05C06N07C22174.0°154.2°
C06C05C02H3782.2°32.4°
C06C05C02H3841.8°91.0°
C06C05C04H1070.5°63.5°
C05C06H41H42123.6°123.5°
C06N07C08C0421.9°6.8°
C06N07C08C22179.1°180.0°
C06N07C22C23179.5°175.6°
C06N07C22O241.1°4.3°
N07C06C05H0985.1°71.7°
N07C06H41H42123.6°123.5°
C06N07C08H44140.0°125.6°
C06N07C08H4396.3°112.0°
C04C08N07H44118.1°118.8°
C04C08N07H43118.1°118.8°
C04C08N07C22157.2°173.2°
C08C04C05H0969.7°67.1°
C08C04C03H4084.5°29.7°
C08C04C03H3940.1°92.8°
C04C08H44H43125.2°122.5°
C08N07C22C231.6°4.4°
C08N07C22O24179.9°175.6°
N07C08C04H1078.3°77.7°
C08N07C06H41125.6°144.0°
C08N07C06H42111.9°92.4°
N07C08H44H43125.2°122.3°
N01C11C12O13174.3°180.0°
N01C11C12C1444.6°146.7°
N01C11C12C16139.2°32.7°
C11N01C02H3747.4°87.6°
C11N01C02H3876.6°35.8°
C11N01C03H4039.7°68.0°
C11N01C03H3984.9°54.5°
C11C12C14C16176.1°179.4°
C11C12C14C15177.8°180.0°
C11C12C16C17177.7°179.7°
C11C12C16H472.4°0.3°
C11C12C14H452.2°0.0°
O13C11C12C14129.6°33.3°
O13C11C12C1646.5°147.3°
C12C14C15H45180.0°180.0°
C14C12C16C171.7°0.8°
C12C14C15C180.3°0.0°
C12C14C15H46179.7°179.6°
C14C12C16H47178.3°179.8°
C15C14C12C161.6°0.6°
C14C15C18H46180.0°179.7°
C14C15C18C170.9°0.2°
C14C15C18N19177.9°179.7°
C12C16C17H47180.0°179.4°
C12C16C17C180.4°0.5°
C12C16C17N21179.7°179.5°
C16C12C14H45178.4°179.5°
C16C17C18C150.9°0.0°
C16C17C18N21179.9°180.0°
C16C17C18N19178.4°180.0°
C16C17N21N20179.5°180.0°
C15C18C17N19177.6°180.0°
C15C18N19N20179.1°180.0°
C15C18C17N21179.0°180.0°
C18C15C14H45179.7°180.0°
C15C18N19H480.9°0.1°
C17C18N19N201.9°0.1°
C18C17N21N200.4°0.0°
C17C18C15H46179.1°179.9°
C18C17C16H47179.6°180.0°
C17C18N19H48178.1°180.0°
C18N19N20H48180.0°179.9°
N19C18C17N211.4°0.0°
C18N19N20N211.6°0.1°
N19C18C15H462.1°0.0°
N19N20N21C170.8°0.1°
N21C17C16H470.3°0.1°
N21N20N19H48178.4°180.0°
N07C22C23O24178.4°179.9°
N07C22C23C2573.6°32.4°
N07C22C23C29109.6°147.9°
C22N07C06H4155.3°35.9°
C22N07C06H4267.2°87.6°
C22N07C08H4439.1°54.4°
C22N07C08H4384.7°67.9°
C22C23C25C29176.8°179.7°
C22C23C25C26178.8°179.9°
C22C23C29C28178.5°179.8°
C22C23C25H491.3°0.0°
C22C23C29H521.5°0.0°
O24C22C23C25104.9°147.7°
O24C22C23C2972.0°32.0°
C23C25C26H49180.0°179.9°
C23C25C26C271.0°0.1°
C25C23C29C281.7°0.5°
C23C25C26H50179.0°180.0°
C25C23C29H52178.3°179.7°
C25C26C27H50180.0°179.9°
C25C26C27C280.2°0.1°
C26C25C23C292.0°0.2°
C25C26C27C30178.1°179.9°
C26C27C28C30177.9°180.0°
C26C27C28C290.5°0.2°
C26C27C30C3127.8°180.0°
C26C27C30C35154.7°0.3°
C27C26C25H49179.0°180.0°
C26C27C28H51179.5°180.0°
C27C28C29C230.5°0.5°
C27C28C29H51180.0°179.8°
C28C27C30C31150.2°0.0°
C28C27C30C3527.4°179.7°
C28C27C26H50179.8°180.0°
C27C28C29H52179.5°179.7°
C23C29C28H52180.0°179.8°
C29C23C25H49178.1°179.7°
C23C29C28H51179.5°179.7°
C29C28C27C30178.4°179.8°
C27C30C31C35177.5°179.7°
C27C30C31C32179.8°180.0°
C27C30C35C34179.8°179.7°
C30C27C26H501.9°0.0°
C30C27C28H511.6°0.0°
C27C30C31H530.1°0.0°
C27C30C35H560.2°0.0°
C30C31C32H53180.0°179.9°
C30C31C32C332.0°0.0°
C31C30C35C342.3°0.6°
C30C31C32H54178.0°180.0°
C31C30C35H56177.7°179.7°
C31C32C33H54180.0°180.0°
C31C32C33C341.0°0.1°
C32C31C30C352.6°0.3°
C31C32C33CL36178.1°180.0°
C32C33C34CL36179.2°179.9°
C32C33C34C350.7°0.4°
C33C32C31H53178.1°180.0°
C32C33C34H55179.3°180.0°
C33C34C35C301.3°0.6°
C33C34C35H55180.0°179.6°
C34C33C32H54179.0°179.9°
C33C34C35H56178.7°179.7°
C30C35C34H56180.0°179.7°
C35C30C31H53177.4°179.8°
C30C35C34H55178.7°179.8°
C35C34C33CL36178.4°179.7°
CL36C33C32H541.9°0.0°
CL36C33C34H551.6°0.1°
H37C02C05H0950.6°170.3°
H38C02C05H09174.6°46.9°
H10C04C05H09169.8°179.3°
H10C04C03H4049.8°163.7°
H10C04C03H39174.5°41.3°
H10C04C08H4439.9°41.0°
H10C04C08H43163.6°163.5°
H09C05C06H4133.7°46.6°
H09C05C06H42156.2°170.1°
H46C15C14H450.3°0.3°
H49C25C26H501.0°0.1°
H51C28C29H520.5°0.1°
H53C31C32H541.9°0.1°
H55C34C35H561.3°0.1°

250835

PDB entries from 2026-03-18

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