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XOF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C26C27doub1.38Å1.39ÅAromatic
C26C25sing1.38Å1.39ÅAromatic
C27C28sing1.39Å1.39ÅAromatic
C25C24doub1.38Å1.39ÅAromatic
C30N29sing1.47Å1.57Å
C30C31sing1.54Å1.38Å
C28N29sing1.40Å1.45Å
C28C23doub1.40Å1.36ÅAromatic
C24C23sing1.39Å1.40ÅAromatic
N29C33sing1.34Å1.36Å
C31C32sing1.55Å1.55Å
C23N22sing1.40Å1.44Å
C33C32sing1.51Å1.60Å
C33O34doub1.21Å1.18Å
C07C06doub1.38Å1.39ÅAromatic
C07C08sing1.38Å1.39ÅAromatic
N22C20sing1.35Å1.42Å
O21C20doub1.22Å1.19Å
C06C05sing1.38Å1.38ÅAromatic
C08C09doub1.38Å1.38ÅAromatic
C20C18sing1.48Å1.50Å
C05C04doub1.39Å1.40ÅAromatic
C09C04sing1.39Å1.40ÅAromatic
C18C19doub1.40Å1.37ÅAromatic
C18C16sing1.40Å1.37ÅAromatic
C04N03sing1.40Å1.47Å
C19C13sing1.38Å1.37ÅAromatic
CL17C16sing1.74Å1.77Å
O12S10doub1.42Å1.46Å
C16C15doub1.38Å1.39ÅAromatic
C13S10sing1.76Å1.77Å
C13C14doub1.38Å1.39ÅAromatic
N03S10sing1.66Å1.73Å
N03C02sing1.47Å1.47Å
S10O11doub1.42Å1.44Å
C15C14sing1.38Å1.38ÅAromatic
C01C02sing1.53Å1.53Å
C24H241sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
C30H302sing1.09Å1.10Å
C30H301sing1.09Å1.10Å
C27H271sing1.08Å1.08Å
C26H261sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C14H141sing1.08Å1.08Å
C01H011sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C02H022sing1.09Å1.10Å
C02H021sing1.09Å1.10Å
C05H051sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C09H091sing1.08Å1.08Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C32H322sing1.09Å1.10Å
C32H321sing1.09Å1.10Å
N22H221sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C27C26C25120.2°120.2°
C26C27C28119.9°120.0°
C26C27H271120.0°120.1°
C27C26H261119.9°119.9°
C26C25C24119.7°120.2°
C26C25H251120.1°119.8°
C25C26H261119.9°119.9°
C27C28N29115.4°120.1°
C27C28C23120.4°119.8°
C28C27H271120.1°119.9°
C25C24C23119.0°120.0°
C25C24H241120.5°120.0°
C24C25H251120.1°119.9°
N29C30C31108.3°105.5°
C30N29C28123.3°124.3°
C30N29C33109.1°111.3°
N29C30H302109.8°110.3°
N29C30H301109.8°110.2°
C30C31C32106.0°101.8°
C31C30H302109.8°110.3°
C31C30H301109.8°110.3°
C30C31H311110.4°110.9°
C30C31H312110.3°111.0°
N29C28C23124.1°120.1°
C28N29C33127.2°124.3°
C28C23C24120.8°119.8°
C28C23N22116.3°120.1°
C24C23N22123.0°120.2°
C23C24H241120.5°119.9°
N29C33C32106.8°110.1°
N29C33O34127.7°125.0°
C31C32C33104.4°104.2°
C32C31H311110.3°111.0°
C32C31H312110.4°111.0°
C31C32H322110.7°110.5°
C31C32H321110.7°110.5°
C23N22C20119.5°120.0°
C23N22H221120.3°120.0°
C32C33O34125.6°124.9°
C33C32H322110.7°110.5°
C33C32H321110.7°110.5°
C06C07C08121.1°120.2°
C07C06C05119.8°120.1°
C07C06H061120.1°120.0°
C06C07H071119.4°119.9°
C07C08C09119.5°120.0°
C08C07H071119.4°119.9°
C07C08H081120.3°120.0°
N22C20O21122.1°120.0°
N22C20C18118.6°120.0°
C20N22H221120.2°120.0°
O21C20C18119.1°120.0°
C06C05C04119.4°120.0°
C06C05H051120.3°120.0°
C05C06H061120.1°120.0°
C08C09C04119.7°120.0°
C09C08H081120.3°120.0°
C08C09H091120.2°120.0°
C20C18C19115.7°120.2°
C20C18C16122.8°120.2°
C05C04C09120.5°119.8°
C05C04N03123.6°120.1°
C04C05H051120.3°120.0°
C09C04N03115.8°120.1°
C04C09H091120.2°120.1°
C19C18C16121.5°119.6°
C18C19C13118.0°119.9°
C18C19H191121.0°120.1°
C18C16CL17118.2°120.0°
C18C16C15120.2°119.9°
C04N03S10117.7°120.0°
C04N03C02124.7°120.0°
C19C13S10116.3°119.9°
C19C13C14122.2°120.2°
C13C19H191121.0°120.1°
CL17C16C15121.6°120.1°
O12S10C13112.8°106.4°
O12S10N03111.9°106.4°
O12S10O11108.0°123.2°
C16C15C14118.9°120.1°
C16C15H151120.6°119.9°
S10C13C14121.5°120.0°
C13S10N03100.8°107.2°
C13S10O11108.4°106.4°
C13C14C15119.2°120.3°
C13C14H141120.4°119.8°
S10N03C02116.8°120.0°
N03S10O11114.9°106.4°
N03C02C01118.4°109.5°
N03C02H022107.2°109.5°
N03C02H021107.2°109.5°
C14C15H151120.6°120.0°
C15C14H141120.4°119.8°
C02C01H011109.5°109.5°
C02C01H013109.5°109.5°
C02C01H012109.5°109.5°
C01C02H022107.2°109.5°
C01C02H021107.2°109.4°
H302C30H301109.5°110.3°
H011C01H013109.5°109.5°
H011C01H012109.5°109.4°
H013C01H012109.4°109.5°
H022C02H021109.5°109.5°
H311C31H312109.5°110.8°
H322C32H321109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C27C26C25H261180.0°179.9°
C26C27C28H271180.0°180.0°
C27C26C25C241.8°0.0°
C26C27C28N29178.6°180.0°
C26C27C28C231.8°0.5°
C27C26C25H251178.2°180.0°
C25C26C27C282.0°0.2°
C26C25C24H251180.0°180.0°
C26C25C24C231.4°0.0°
C26C25C24H241178.6°179.7°
C25C26C27H271178.0°179.7°
C27C28N29C3040.6°89.5°
C27C28N29C23176.8°179.5°
C27C28C23C241.3°0.5°
C27C28N29C33130.9°90.5°
C27C28C23N22179.9°179.5°
C28C27C26H261178.0°179.7°
C25C24C23C281.2°0.3°
C25C24C23H241180.0°179.7°
C25C24C23N22179.8°179.7°
C24C25C26H261178.2°180.0°
N29C30C31H302119.8°119.0°
N29C30C31H301119.8°119.0°
C30N29C28C33171.5°180.0°
C30N29C28C23142.6°90.0°
N29C30C31C3223.6°25.4°
C30N29C33C322.6°0.4°
C30N29C33O34178.5°179.6°
N29C30H302H301120.6°122.0°
N29C30C31H311143.1°143.6°
N29C30C31H31295.8°92.7°
C31C30N29C28169.8°163.0°
C31C30N29C3317.3°17.0°
C30C31C32H311119.5°118.1°
C30C31C32H312119.4°118.2°
C30C31C32C3321.7°24.8°
C31C30H302H301120.6°122.0°
C30C31H311H312121.6°123.8°
C30C31C32H32297.5°143.5°
C30C31C32H321140.9°93.9°
N29C28C23C24177.9°180.0°
N29C28C23N223.3°0.0°
C28N29C33C32175.1°179.6°
C28N29C33O346.0°0.4°
C28N29C30H30270.4°43.9°
C28N29C30H30150.0°78.0°
N29C28C27H2711.4°0.0°
C28C23C24N22178.6°180.0°
C23C28N29C3345.8°90.0°
C28C23N22C20141.4°155.5°
C28C23C24H241178.8°180.0°
C23C28C27H271178.3°179.5°
C28C23N22H22138.6°24.6°
C24C23N22C2037.3°24.5°
C23C24C25H251178.6°180.0°
C24C23N22H221142.7°155.4°
N29C33C32C3111.0°16.2°
N29C33C32O34178.9°180.0°
C33N29C30H302102.5°136.0°
C33N29C30H301137.1°102.0°
N29C33C32H322108.2°134.9°
N29C33C32H321130.2°102.5°
C31C32C33H322119.2°118.7°
C31C32C33H321119.2°118.7°
C31C32C33O34167.9°163.8°
C32C31C30H30296.1°144.4°
C32C31C30H301143.4°93.6°
C32C31H311H312121.6°123.8°
C31C32H322H321122.3°122.6°
C23N22C20H221180.0°179.9°
C23N22C20O210.5°5.5°
C23N22C20C18176.7°174.6°
N22C23C24H2410.2°0.0°
C33C32C31H311141.2°142.9°
C33C32C31H31297.7°93.4°
C33C32H322H321122.3°122.6°
O34C33C32H32272.9°45.1°
O34C33C32H32148.7°77.5°
C06C07C08H071180.0°180.0°
C07C06C05H061180.0°179.9°
C06C07C08C091.7°0.3°
C07C06C05C040.0°0.0°
C07C06C05H051179.9°180.0°
C06C07C08H081178.3°180.0°
C08C07C06C051.0°0.0°
C07C08C09H081180.0°179.7°
C07C08C09C041.4°0.5°
C08C07C06H061179.0°179.9°
C07C08C09H091178.6°180.0°
N22C20O21C18176.2°179.9°
N22C20C18C1981.6°0.0°
N22C20C18C16100.0°180.0°
O21C20C18C1994.7°180.0°
O21C20C18C1683.7°0.1°
O21C20N22H221179.5°174.6°
C06C05C04H051180.0°179.9°
C06C05C04C090.2°0.2°
C06C05C04N03177.6°180.0°
C05C06C07H071179.0°180.0°
C08C09C04C050.5°0.5°
C08C09C04H091180.0°179.5°
C08C09C04N03177.1°179.7°
C09C08C07H071178.3°179.7°
C20C18C19C16178.4°180.0°
C20C18C19C13177.3°180.0°
C20C18C16CL172.2°0.0°
C20C18C16C15178.4°180.0°
C20C18C19H1912.7°0.3°
C18C20N22H2213.3°5.3°
C05C04C09N03177.6°179.8°
C05C04N03S1081.4°154.1°
C05C04N03C02108.6°26.0°
C04C05C06H061180.0°180.0°
C05C04C09H091179.5°180.0°
C09C04N03S1096.1°26.2°
C09C04N03C0273.8°153.8°
C09C04C05H051179.8°179.7°
C04C09C08H081178.6°179.7°
C18C19C13H191180.0°179.7°
C19C18C16CL17179.4°180.0°
C19C18C16C150.1°0.0°
C18C19C13S10177.2°179.7°
C18C19C13C142.1°0.3°
C16C18C19C131.1°0.0°
C18C16CL17C15179.4°179.9°
C18C16C15C140.4°0.3°
C16C18C19H191178.9°179.7°
C18C16C15H151179.6°180.0°
C04N03S10O1240.2°150.2°
C04N03S10C1380.0°96.2°
C04N03S10C02170.7°180.0°
C04N03S10O11163.7°17.3°
C04N03C02C0126.6°85.0°
C04N03C02H02294.6°34.9°
C04N03C02H021147.9°155.0°
N03C04C05H0512.4°0.1°
N03C04C09H0912.9°0.2°
C19C13S10O1237.1°19.9°
C19C13S10C14179.3°180.0°
C19C13S10N0382.3°93.7°
C19C13S10O11156.6°152.8°
C19C13C14C151.8°0.6°
C19C13C14H141178.3°180.0°
CL17C16C15C14179.8°179.7°
CL17C16C15H1510.3°0.0°
O12S10C13N03119.5°113.6°
O12S10C13O11119.5°132.9°
O12S10C13C14143.6°160.1°
O12S10N03O11123.6°132.9°
O12S10N03C02149.1°29.8°
C16C15C14C130.5°0.6°
C16C15C14H151180.0°179.7°
C16C15C14H141179.5°180.0°
C13S10N03O11116.3°113.5°
C13S10N03C0290.8°83.7°
S10C13C14C15177.5°179.4°
S10C13C19H1912.8°0.0°
S10C13C14H1412.5°0.0°
C14C13S10N0396.9°86.3°
C14C13S10O1124.1°27.2°
C13C14C15H141180.0°179.4°
C14C13C19H191177.9°180.0°
C13C14C15H151179.5°179.7°
S10N03C02C01163.4°95.0°
S10N03C02H02275.4°145.0°
S10N03C02H02142.1°25.0°
C02N03S10O1125.5°162.8°
N03C02C01H022121.3°120.0°
N03C02C01H021121.3°120.0°
N03C02C01H011180.0°60.0°
N03C02C01H01360.0°60.0°
N03C02C01H01260.0°180.0°
N03C02H022H021116.0°120.0°
C02C01H011H013120.0°120.0°
C02C01H011H012120.0°120.0°
C02C01H013H012120.0°120.0°
C01C02H022H021116.0°120.0°
H241C24C25H2511.4°0.3°
H251C25C26H2611.8°0.1°
H302C30C31H31123.3°97.4°
H302C30C31H312144.4°26.3°
H301C30C31H31197.1°24.6°
H301C30C31H31224.0°148.3°
H271C27C26H2612.0°0.3°
H151C15C14H1410.5°0.3°
H011C01H013H012120.0°120.0°
H011C01C02H02258.7°59.9°
H011C01C02H02158.7°180.0°
H013C01C02H022178.8°180.0°
H013C01C02H02161.3°60.0°
H012C01C02H02261.3°60.0°
H012C01C02H021178.8°60.0°
H051C05C06H0610.1°0.1°
H061C06C07H0711.0°0.0°
H071C07C08H0811.7°0.0°
H081C08C09H0911.4°0.2°
H311C31C32H32222.0°98.4°
H311C31C32H32199.6°24.2°
H312C31C32H322143.1°25.3°
H312C31C32H32121.5°147.9°

223532

PDB entries from 2024-08-07

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