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VCD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11O10sing1.43Å1.43Å
C11C12sing1.53Å1.55Å
C09O10sing1.43Å1.43Å
C09C08sing1.53Å1.55Å
C29C28sing1.53Å1.53Å
C29C23sing1.53Å1.53Å
C12N07sing1.47Å1.46Å
N07C06sing1.39Å1.39Å
N07C08sing1.47Å1.47Å
C06C01doub1.40Å1.41ÅAromatic
C06N05sing1.33Å1.36ÅAromatic
C01C02sing1.38Å1.39ÅAromatic
C08C13sing1.53Å1.56Å
C20C21doub1.34Å1.40ÅAromatic
C20C19sing1.46Å1.40ÅAromatic
C21N22sing1.37Å1.34ÅAromatic
C28C23sing1.53Å1.53Å
N05C04doub1.33Å1.36ÅAromatic
C02C23sing1.51Å1.47Å
C02N03doub1.32Å1.35ÅAromatic
C23S24sing1.81Å1.81Å
C04N03sing1.33Å1.36ÅAromatic
C04C14sing1.48Å1.41Å
C19C14doub1.41Å1.42ÅAromatic
C19C18sing1.41Å1.40ÅAromatic
N22C18sing1.38Å1.34ÅAromatic
C25S24sing1.81Å1.81Å
C14C15sing1.39Å1.42ÅAromatic
C18C17doub1.39Å1.40ÅAromatic
S24O27doub1.42Å1.56Å
S24O26doub1.42Å1.55Å
C15C16doub1.38Å1.41ÅAromatic
C17C16sing1.38Å1.40ÅAromatic
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C01H011sing1.08Å1.08Å
C08H081sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C13H133sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C15H151sing1.08Å1.08Å
C16H161sing1.08Å1.08Å
C17H171sing1.08Å1.08Å
C20H201sing1.08Å1.08Å
C21H211sing1.08Å1.08Å
C25H252sing1.09Å1.10Å
C25H253sing1.09Å1.10Å
C25H251sing1.09Å1.10Å
C28H281sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
N22H221sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O10C11C12112.1°109.3°
C11O10C09113.6°113.7°
O10C11H111108.8°109.5°
O10C11H112108.8°109.5°
C11C12N07113.0°109.3°
C12C11H111108.8°109.5°
C12C11H112108.8°109.6°
C11C12H121108.6°109.5°
C11C12H122108.6°109.5°
O10C09C08109.3°109.3°
O10C09H091109.5°109.5°
O10C09H092109.5°109.5°
C09C08N07109.3°109.3°
C09C08C13110.9°109.5°
C09C08H081107.8°109.5°
C08C09H091109.5°109.5°
C08C09H092109.5°109.5°
C28C29C2360.1°60.0°
C29C28C2359.8°60.0°
C29C28H281120.0°117.5°
C29C28H282120.0°117.5°
C28C29H291120.0°117.5°
C28C29H292120.0°117.5°
C29C23C2860.1°60.0°
C29C23C02120.0°117.5°
C29C23S24117.6°117.5°
C23C29H291120.0°117.5°
C23C29H292120.0°117.5°
C12N07C06117.1°111.0°
C12N07C08116.7°110.7°
N07C12H121108.6°109.6°
N07C12H122108.6°109.5°
C06N07C08119.0°111.0°
N07C06C01124.1°120.5°
N07C06N05118.0°120.5°
N07C08C13112.1°109.5°
N07C08H081108.8°109.5°
C01C06N05117.8°119.0°
C06C01C02119.9°118.5°
C06C01H011120.0°120.7°
C06N05C04123.0°120.6°
C01C02C23121.2°120.4°
C01C02N03117.8°119.3°
C02C01H011120.1°120.7°
C13C08H081107.8°109.5°
C08C13H133109.5°109.4°
C08C13H131109.5°109.4°
C08C13H132109.5°109.5°
C21C20C19106.8°107.0°
C20C21N22109.3°109.9°
C21C20H201126.6°126.4°
C20C21H211125.4°125.1°
C20C19C14133.2°134.0°
C20C19C18105.7°106.1°
C19C20H201126.6°126.5°
C21N22C18108.6°109.9°
N22C21H211125.4°125.0°
C21N22H221125.7°125.1°
C28C23C02121.6°117.5°
C28C23S24112.2°117.5°
C23C28H281120.0°117.5°
C23C28H282120.0°117.5°
N05C04N03117.7°121.6°
N05C04C14120.7°119.2°
C23C02N03121.0°120.3°
C02C23S24114.6°115.6°
C02N03C04123.7°121.0°
C23S24C25105.4°101.9°
C23S24O27106.5°108.6°
C23S24O26108.4°108.6°
N03C04C14121.5°119.2°
C04C14C19124.7°120.3°
C04C14C15118.2°120.3°
C14C19C18121.1°119.8°
C19C14C15117.0°119.4°
C19C18N22109.7°107.1°
C19C18C17121.4°119.5°
N22C18C17129.0°133.4°
C18N22H221125.7°125.0°
C25S24O27111.1°108.5°
C25S24O26107.6°108.6°
S24C25H252109.5°109.4°
S24C25H253109.5°109.5°
S24C25H251109.5°109.5°
C14C15C16121.1°120.3°
C14C15H151119.4°119.9°
C18C17C16118.2°120.2°
C18C17H171120.9°119.9°
O27S24O26117.2°119.2°
C15C16C17121.1°120.8°
C16C15H151119.4°119.8°
C15C16H161119.4°119.7°
C17C16H161119.4°119.5°
C16C17H171120.9°119.9°
H111C11H112109.4°109.5°
H091C09H092109.5°109.5°
H121C12H122109.5°109.5°
H133C13H131109.4°109.5°
H133C13H132109.4°109.5°
H131C13H132109.5°109.5°
H252C25H253109.5°109.5°
H252C25H251109.5°109.5°
H253C25H251109.5°109.5°
H281C28H282109.5°115.5°
H291C29H292109.4°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O10C11C12H111120.4°119.9°
O10C11C12H112120.4°120.0°
C11O10C09C0862.2°58.7°
O10C11C12N0742.9°56.9°
O10C11H111H112118.8°120.1°
C11O10C09H09157.7°178.6°
C11O10C09H092177.8°61.3°
O10C11C12H12177.7°63.2°
O10C11C12H122163.4°176.8°
C12C11O10C0955.0°58.6°
C11C12N07H121120.5°120.0°
C11C12N07H122120.5°119.9°
C11C12N07C06167.8°177.6°
C11C12N07C0842.2°58.6°
C12C11H111H112118.8°120.1°
C11C12H121H122118.4°120.0°
O10C09C08H091120.0°119.9°
O10C09C08H092120.0°120.0°
O10C09C08N0756.7°56.9°
O10C09C08C1367.4°63.1°
C09O10C11H111175.4°61.3°
C09O10C11H11265.4°178.6°
O10C09C08H081174.9°176.9°
O10C09H091H092120.1°120.1°
C09C08N07C1248.8°58.6°
C09C08N07C06161.8°177.6°
C09C08N07C13123.4°119.9°
C09C08N07H081117.5°120.0°
C09C08C13H081117.8°120.1°
C08C09H091H092120.1°120.1°
C09C08C13H133180.0°59.9°
C09C08C13H13160.0°179.9°
C09C08C13H13260.0°60.1°
C28C29C23H291109.5°107.5°
C28C29C23H292109.5°107.5°
C29C28C23H281109.4°107.5°
C29C28C23H282109.4°107.5°
C29C28C23C02108.9°107.5°
C28C29C23S24101.0°107.5°
C29C28H281H282144.8°145.7°
C28C29H291H292144.7°145.7°
C29C23C02C0158.7°29.7°
C29C23C02S24148.5°145.7°
C29C23C02N03121.9°150.3°
C29C23S24C2579.3°148.5°
C29C23S24O2738.8°97.0°
C29C23S24O26165.7°34.0°
C23C29H291H292144.7°145.7°
C12N07C06C08149.3°123.6°
C12N07C06C018.7°56.0°
C12N07C06N05167.8°123.9°
C12N07C08C1374.6°61.3°
N07C12C11H111163.3°63.1°
N07C12C11H11277.5°176.8°
C12N07C08H081166.3°178.6°
N07C12H121H122118.4°120.2°
N07C06C01N05176.5°179.9°
N07C06C01C02178.7°180.0°
C06N07C08C1374.8°62.5°
N07C06N05C04179.9°179.4°
N07C06C01H0111.3°0.3°
C06N07C08H08144.3°57.6°
C06N07C12H12171.7°62.4°
C06N07C12H12247.3°57.7°
C08N07C06C01158.0°179.6°
C08N07C06N0518.5°0.3°
N07C08C13H081119.7°120.1°
N07C08C09H09163.3°176.8°
N07C08C09H092176.7°63.1°
C08N07C12H12178.3°61.3°
C08N07C12H122162.7°178.6°
N07C08C13H13357.5°59.8°
N07C08C13H131177.5°60.1°
N07C08C13H13262.5°179.9°
C06C01C02H011180.0°179.7°
C01C06N05C043.2°0.5°
C06C01C02C23179.3°179.6°
C06C01C02N031.3°0.4°
N05C06C01C022.1°0.1°
C06N05C04N033.3°0.8°
C06N05C04C14178.9°179.7°
N05C06C01H011177.9°179.7°
C01C02C23C2812.6°38.9°
C01C02C23N03179.4°180.0°
C01C02C23S24152.8°175.5°
C01C02N03C041.5°0.0°
C13C08C09H091172.6°56.9°
C13C08C09H09252.6°176.9°
C08C13H133H131120.0°119.9°
C08C13H133H132120.0°120.0°
C08C13H131H132120.0°120.0°
C21C20C19H201180.0°179.5°
C20C21N22H211180.0°179.4°
C21C20C19C14179.5°180.0°
C21C20C19C180.3°0.2°
C20C21N22C180.8°0.7°
C20C21N22H221179.2°180.0°
C19C20C21N220.7°0.5°
C20C19C14C042.8°0.0°
C20C19C14C18179.1°179.8°
C20C19C18N220.2°0.1°
C20C19C14C15179.6°179.7°
C20C19C18C17179.6°179.7°
C19C20C21H211179.3°180.0°
C21N22C18C190.6°0.5°
C21N22C18H221180.0°179.4°
C21N22C18C17180.0°179.3°
N22C21C20H201179.3°180.0°
C28C23C02S24140.2°145.6°
C28C23C02N03166.8°141.1°
C28C23S24C25146.1°79.9°
C28C23S24O2727.9°165.7°
C28C23S24O2699.0°34.7°
C23C28H281H282144.8°145.7°
N05C04N03C022.5°0.6°
N05C04N03C14175.6°179.5°
N05C04C14C1929.3°0.3°
N05C04C14C15147.5°179.4°
C23C02N03C04179.1°179.9°
C02C23S24C2570.0°65.8°
C02C23S24O27171.9°48.7°
C02C23S24O2645.0°179.7°
C23C02C01H0110.7°0.0°
C02C23C28H2810.5°145.0°
C02C23C28H282141.7°0.0°
C02C23C29H291139.1°0.0°
C02C23C29H2921.9°145.0°
N03C02C23S2426.6°4.5°
C02N03C04C14178.0°180.0°
N03C02C01H011178.7°180.0°
C23S24C25O27115.0°114.5°
C23S24C25O26115.5°114.5°
C23S24O27O26121.5°125.0°
C23S24C25H252180.0°65.0°
C23S24C25H25360.0°175.1°
C23S24C25H25160.0°55.0°
S24C23C28H281140.5°0.0°
S24C23C28H2820.6°145.0°
S24C23C29H2918.5°145.0°
S24C23C29H292149.5°0.0°
N03C04C14C19155.2°179.7°
N03C04C14C1528.0°0.0°
C04C14C19C15176.8°179.7°
C04C14C19C18178.1°179.8°
C04C14C15C16178.4°180.0°
C04C14C15H1511.6°0.0°
C14C19C18N22179.1°179.7°
C14C19C18C170.3°0.5°
C19C14C15C161.4°0.3°
C19C14C15H151178.6°179.7°
C14C19C20H2010.5°0.5°
C19C18N22C17179.4°179.8°
C18C19C14C151.3°0.5°
C19C18C17C160.7°0.3°
C19C18C17H171179.3°179.8°
C18C19C20H201179.7°179.7°
C19C18N22H221179.4°179.8°
N22C18C17C16180.0°180.0°
N22C18C17H1710.0°0.0°
C18N22C21H211179.2°179.9°
C25S24O27O26124.2°125.0°
S24C25H252H253120.0°120.0°
S24C25H252H251120.0°120.0°
S24C25H253H251120.0°120.1°
C14C15C16H151180.0°180.0°
C14C15C16C170.4°0.1°
C14C15C16H161179.5°180.0°
C18C17C16C150.6°0.0°
C18C17C16H171180.0°180.0°
C18C17C16H161179.4°180.0°
C17C18N22H2210.0°0.1°
O27S24C25H25265.0°179.5°
O27S24C25H25355.0°60.6°
O27S24C25H251175.0°59.5°
O26S24C25H25264.5°49.6°
O26S24C25H253175.5°70.4°
O26S24C25H25155.5°169.5°
C15C16C17H161180.0°179.9°
C15C16C17H171179.4°180.0°
C17C16C15H151179.6°180.0°
H111C11C12H12142.8°176.9°
H111C11C12H12276.2°56.9°
H112C11C12H121161.9°56.8°
H112C11C12H12243.0°63.2°
H081C08C09H09154.9°63.2°
H081C08C09H09265.1°56.9°
H081C08C13H13362.2°180.0°
H081C08C13H13157.8°60.0°
H081C08C13H132177.8°60.0°
H133C13H131H132120.0°120.1°
H151C15C16H1610.5°0.0°
H161C16C17H1710.6°0.1°
H201C20C21H2110.7°0.6°
H211C21N22H2210.8°0.6°
H252C25H253H251120.0°120.0°
H281C28C29H291141.0°145.0°
H281C28C29H2920.1°0.0°
H282C28C29H2910.1°0.0°
H282C28C29H292141.1°145.0°

223790

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