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S3U

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C19sing1.53Å1.53Å
C20C21sing1.53Å1.52Å
C19C18sing1.53Å1.53Å
C21C22sing1.53Å1.52Å
C18C17sing1.53Å1.53Å
C22C17sing1.53Å1.53Å
C29C28doub1.38Å1.39ÅAromatic
C29C24sing1.39Å1.38ÅAromatic
C17O23sing1.43Å1.43Å
C17C15sing1.51Å1.54Å
C28C27sing1.38Å1.39ÅAromatic
O23C24sing1.36Å1.40Å
C24C25doub1.39Å1.39ÅAromatic
C27C26doub1.38Å1.39ÅAromatic
C25C26sing1.38Å1.40ÅAromatic
C15O16doub1.21Å1.20Å
C15N14sing1.35Å1.46Å
N14C13sing1.40Å1.46Å
C13C12doub1.39Å1.38ÅAromatic
C13C30sing1.39Å1.38ÅAromatic
C12C11sing1.38Å1.39ÅAromatic
C30C09doub1.39Å1.38ÅAromatic
C11C10doub1.38Å1.39ÅAromatic
C09C10sing1.39Å1.38ÅAromatic
C09C06sing1.48Å1.52Å
C05C06sing1.39Å1.52ÅAromatic
C05C04doub1.35Å1.42ÅAromatic
N03C02doub1.31Å1.27Å
C06C07doub1.35Å1.42ÅAromatic
C02C04sing1.47Å1.52Å
C02N01sing1.38Å1.44Å
C04S08sing1.76Å1.64ÅAromatic
C07S08sing1.71Å1.63ÅAromatic
C11H111sing1.08Å1.08Å
C12H121sing1.08Å1.08Å
C05H051sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C10H101sing1.08Å1.08Å
C18H182sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C22H221sing1.09Å1.10Å
C25H251sing1.08Å1.08Å
C26H261sing1.08Å1.08Å
C27H271sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C29H291sing1.08Å1.08Å
C30H301sing1.08Å1.08Å
N01H012sing0.97Å1.00Å
N03H031sing0.97Å1.00Å
N14H141sing0.97Å1.00Å
N01H011sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19C20C21112.7°109.4°
C20C19C18112.7°109.5°
C20C19H192108.7°109.5°
C20C19H191108.6°109.5°
C19C20H202108.7°109.5°
C19C20H201108.6°109.5°
C20C21C22108.9°109.5°
C21C20H202108.6°109.5°
C21C20H201108.7°109.4°
C20C21H212109.6°109.4°
C20C21H211109.6°109.5°
C19C18C17110.3°109.5°
C19C18H182109.3°109.5°
C19C18H181109.3°109.5°
C18C19H192108.7°109.5°
C18C19H191108.6°109.5°
C21C22C17112.0°109.5°
C22C21H212109.6°109.4°
C22C21H211109.6°109.5°
C21C22H222108.8°109.4°
C21C22H221108.8°109.5°
C18C17C22109.0°109.4°
C18C17O23116.1°109.4°
C18C17C15112.7°109.5°
C17C18H182109.3°109.5°
C17C18H181109.2°109.5°
C22C17O23105.2°109.5°
C22C17C15101.9°109.5°
C17C22H222108.8°109.4°
C17C22H221108.8°109.5°
C28C29C24119.4°120.0°
C29C28C27120.3°120.1°
C29C28H281119.8°120.0°
C28C29H291120.3°120.0°
C29C24O23116.4°120.1°
C29C24C25120.6°119.9°
C24C29H291120.3°120.0°
O23C17C15110.8°109.5°
C17O23C24118.0°117.0°
C17C15O16122.9°120.0°
C17C15N14114.1°120.0°
C28C27C26120.3°120.1°
C28C27H271119.8°119.9°
C27C28H281119.9°120.0°
O23C24C25123.0°120.0°
C24C25C26120.0°119.9°
C24C25H251120.0°120.0°
C27C26C25119.4°120.1°
C27C26H261120.3°120.0°
C26C27H271119.8°119.9°
C26C25H251120.0°120.0°
C25C26H261120.3°120.0°
O16C15N14123.0°120.0°
C15N14C13121.5°120.0°
C15N14H141119.2°120.0°
N14C13C12123.5°120.0°
N14C13C30115.3°120.0°
C13N14H141119.3°120.0°
C12C13C30121.1°120.0°
C13C12C11119.2°120.2°
C13C12H121120.4°119.9°
C13C30C09118.7°119.8°
C13C30H301120.6°120.1°
C12C11C10120.3°120.2°
C12C11H111119.8°119.9°
C11C12H121120.4°119.9°
C30C09C10121.6°119.8°
C30C09C06118.4°120.1°
C09C30H301120.6°120.1°
C11C10C09118.9°120.1°
C10C11H111119.9°119.9°
C11C10H101120.5°120.0°
C10C09C06119.9°120.1°
C09C10H101120.6°120.0°
C09C06C05122.0°122.7°
C09C06C07125.2°122.7°
C06C05C04108.7°113.5°
C05C06C07112.8°114.5°
C06C05H051125.7°123.3°
C05C04C02125.0°125.2°
C05C04S08109.8°109.5°
C04C05H051125.6°123.2°
N03C02C04123.3°120.0°
N03C02N01120.2°120.0°
C02N03H031112.0°120.0°
C06C07S08107.6°110.7°
C06C07H071126.2°124.6°
C04C02N01116.5°120.0°
C02C04S08125.2°125.2°
C02N01H012120.0°120.0°
C02N01H011120.0°120.0°
C04S08C07101.1°91.7°
S08C07H071126.2°124.6°
H182C18H181109.5°109.4°
H192C19H191109.5°109.5°
H202C20H201109.5°109.5°
H212C21H211109.5°109.5°
H222C22H221109.5°109.5°
H012N01H011120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19C20C21H202120.5°120.0°
C19C20C21H201120.5°119.9°
C20C19C18H192120.5°120.0°
C20C19C18H191120.5°120.0°
C19C20C21C2253.3°60.1°
C20C19C18C1753.5°60.0°
C20C19C18H182173.7°60.0°
C20C19C18H18166.6°180.0°
C20C19H192H191118.5°120.0°
C19C20H202H201118.5°120.0°
C19C20C21H212173.2°180.0°
C19C20C21H21166.6°60.0°
C21C20C19C1852.2°60.0°
C20C21C22H212119.9°119.9°
C20C21C22H211119.9°120.1°
C20C21C22C1758.7°60.1°
C21C20C19H19268.3°180.0°
C21C20C19H191172.7°60.0°
C21C20H202H201118.5°120.0°
C20C21H212H211120.3°120.0°
C20C21C22H22261.6°180.0°
C20C21C22H221179.1°59.9°
C19C18C17H182120.1°120.0°
C19C18C17H181120.1°120.0°
C19C18C17C2257.1°60.0°
C19C18C17O2361.3°60.0°
C19C18C17C15169.4°180.0°
C19C18H182H181119.6°120.0°
C18C19H192H191118.5°120.0°
C18C19C20H20268.3°60.0°
C18C19C20H201172.7°179.9°
C21C22C17C1861.4°60.0°
C21C22C17H222120.3°119.9°
C21C22C17H221120.4°120.0°
C21C22C17O2363.7°59.9°
C21C22C17C15179.3°180.0°
C22C21C20H20267.2°59.9°
C22C21C20H201173.8°180.0°
C22C21H212H211120.3°120.1°
C21C22H222H221118.8°120.0°
C18C17C22O23125.1°119.9°
C18C17C22C15119.3°120.0°
C18C17O23C15130.2°120.0°
C18C17O23C2452.0°68.6°
C18C17C15O1628.6°17.6°
C18C17C15N14154.1°162.4°
C17C18H182H181119.6°120.0°
C17C18C19H19267.0°180.0°
C17C18C19H191174.0°60.0°
C18C17C22H22259.0°180.0°
C18C17C22H221178.3°60.0°
C22C17O23C15109.3°120.0°
C22C17O23C24172.5°171.5°
C22C17C15O1688.0°102.4°
C22C17C15N1489.3°77.6°
C22C17C18H182177.2°60.0°
C22C17C18H18163.1°180.0°
C17C22C21H212178.6°180.0°
C17C22C21H21161.2°60.0°
C17C22H222H221118.9°120.0°
C28C29C24H291180.0°180.0°
C29C28C27H281180.0°180.0°
C28C29C24O23179.3°179.7°
C28C29C24C252.5°0.1°
C29C28C27C260.6°0.1°
C29C28C27H271179.4°180.0°
C29C24O23C17149.9°1.1°
C24C29C28C271.7°0.0°
C29C24O23C25178.2°179.8°
C29C24C25C262.1°0.1°
C29C24C25H251177.9°180.0°
C24C29C28H281178.3°180.0°
C17O23C24C2532.0°179.1°
O23C17C15O16160.5°137.6°
O23C17C15N1422.2°42.4°
O23C17C18H18258.8°180.0°
O23C17C18H181178.5°60.0°
O23C17C22H222176.0°60.0°
O23C17C22H22156.7°180.0°
C15C17O23C2478.2°51.4°
C17C15O16N14177.1°180.0°
C17C15N14C13177.0°177.6°
C15C17C18H18270.4°60.0°
C15C17C18H18149.3°60.0°
C15C17C22H22260.3°60.0°
C15C17C22H22159.0°60.0°
C17C15N14H1413.0°2.5°
C28C27C26H271180.0°179.9°
C28C27C26C250.3°0.1°
C28C27C26H261179.8°180.0°
C27C28C29H291178.3°180.0°
O23C24C25C26179.8°179.7°
O23C24C25H2510.2°0.2°
O23C24C29H2910.7°0.2°
C24C25C26C271.0°0.0°
C24C25C26H251180.0°179.9°
C24C25C26H261179.0°180.0°
C25C24C29H291177.5°180.0°
C27C26C25H261180.0°180.0°
C27C26C25H251179.0°179.9°
C26C27C28H281179.4°179.9°
C25C26C27H271179.7°180.0°
O16C15N14C130.3°2.5°
O16C15N14H141179.7°177.5°
C15N14C13H141180.0°180.0°
C15N14C13C1231.1°30.5°
C15N14C13C30144.8°149.6°
N14C13C12C30175.7°180.0°
N14C13C12C11178.1°180.0°
N14C13C30C09178.7°179.7°
N14C13C12H1211.9°0.0°
N14C13C30H3011.3°0.1°
C13C12C11H121180.0°180.0°
C12C13C30C092.6°0.3°
C13C12C11C101.0°0.0°
C13C12C11H111179.1°179.7°
C12C13C30H301177.4°180.0°
C12C13N14H141148.8°149.5°
C30C13C12C112.3°0.0°
C13C30C09H301180.0°179.7°
C13C30C09C101.5°0.5°
C13C30C09C06178.9°180.0°
C30C13C12H121177.7°179.9°
C30C13N14H14135.2°30.5°
C12C11C10H111180.0°179.7°
C12C11C10C090.1°0.2°
C12C11C10H101179.9°179.7°
C30C09C10C110.1°0.5°
C30C09C10C06179.6°179.5°
C30C09C06C053.8°179.5°
C30C09C06C07177.3°0.5°
C30C09C10H101179.9°179.5°
C11C10C09H101180.0°180.0°
C11C10C09C06179.7°180.0°
C10C11C12H121179.1°180.0°
C10C09C06C05176.6°0.0°
C10C09C06C072.3°179.9°
C09C10C11H111179.8°180.0°
C10C09C30H301178.5°179.8°
C09C06C05C07179.1°180.0°
C09C06C05C04179.8°180.0°
C09C06C07S08179.8°179.7°
C09C06C05H0510.2°0.1°
C09C06C07H0710.2°0.1°
C06C09C10H1010.3°0.1°
C06C09C30H3011.1°0.3°
C06C05C04H051180.0°180.0°
C06C05C04C02179.9°180.0°
C06C05C04S080.3°0.3°
C05C06C07S080.8°0.3°
C05C06C07H071179.2°180.0°
C05C04C02N030.7°0.3°
C04C05C06C070.7°0.0°
C05C04C02S08179.5°179.7°
C05C04C02N01178.1°179.7°
C05C04S08C070.1°0.4°
N03C02C04N01178.8°180.0°
N03C02C04S08179.8°179.9°
N03C02N01H012178.8°180.0°
N03C02N01H0111.2°0.1°
C06C07S08C040.5°0.4°
C06C07S08H071180.0°179.7°
C07C06C05H051179.3°180.0°
C02C04S08C07179.5°179.9°
C02C04C05H0510.1°0.0°
C04C02N01H0120.0°0.0°
C04C02N03H031178.7°179.9°
C04C02N01H011180.0°180.0°
N01C02C04S081.5°0.0°
C02N01H012H011180.0°179.9°
N01C02N03H0310.0°0.1°
S08C04C05H051179.7°179.7°
C04S08C07H071179.4°179.9°
H111C11C12H1210.9°0.3°
H111C11C10H1010.2°0.0°
H182C18C19H19253.2°60.0°
H182C18C19H19165.8°180.0°
H181C18C19H192172.9°60.0°
H181C18C19H19153.9°60.0°
H192C19C20H202171.2°60.0°
H192C19C20H20152.2°60.1°
H191C19C20H20252.2°NaN°
H191C19C20H20166.8°60.0°
H202C20C21H21252.7°60.0°
H202C20C21H211172.9°180.0°
H201C20C21H21266.3°60.1°
H201C20C21H21153.9°60.0°
H212C21C22H22258.3°60.1°
H212C21C22H22161.0°60.0°
H211C21C22H222178.5°59.9°
H211C21C22H22159.2°180.0°
H251C25C26H2610.9°0.0°
H261C26C27H2710.2°0.1°
H271C27C28H2810.6°0.0°
H281C28C29H2911.7°0.1°

222415

PDB entries from 2024-07-10

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