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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1doub1.21Å1.34Å
C1O2sing1.34Å1.23Å
C1C2sing1.51Å1.49Å
O2HO2sing0.97Å0.95Å
C2C3sing1.53Å1.52Å
C2H21sing1.09Å1.12Å
C2H22Asing1.09Å1.12Å
C3C4sing1.51Å1.53Å
C3C13sing1.53Å1.53Å
C3H3sing1.09Å1.11Å
C4O3doub1.21Å1.24Å
C4N2sing1.35Å1.33Å
N2C5sing1.46Å1.46Å
N2HN2sing0.97Å1.02Å
C5C6sing1.51Å1.50Å
C5C17sing1.53Å1.54Å
C5H5sing1.09Å1.12Å
C6O4doub1.22Å1.23Å
C6N3sing1.36Å1.33Å
N3C7sing1.48Å1.48Å
N3HN3sing0.97Å1.02Å
C7C8sing1.53Å1.57Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.12Å
C8C9sing1.53Å1.55Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.12Å
C9C10sing1.53Å1.55Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.11Å
C10C11sing1.53Å1.54Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.12Å
C11C12sing1.53Å1.55Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12N4sing1.46Å1.47Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.11Å
N4C19sing1.37Å1.37ÅAromatic
N4C21sing1.38Å1.36ÅAromatic
C13C14sing1.53Å1.54Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.12Å
C14C15sing1.53Å1.54Å
C14C16sing1.53Å1.53Å
C14H14sing1.09Å1.12Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.11Å
C15H153sing1.09Å1.11Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.12Å
C16H163sing1.09Å1.12Å
C17C18sing1.51Å1.48Å
C17H171sing1.09Å1.11Å
C17H172sing1.09Å1.11Å
C18C19doub1.34Å1.40ÅAromatic
C18C20sing1.47Å1.41ÅAromatic
C19H19sing1.08Å1.10Å
C20C21doub1.41Å1.43ÅAromatic
C20C22sing1.40Å1.39ÅAromatic
C21C23sing1.39Å1.40ÅAromatic
C22C24doub1.37Å1.39ÅAromatic
C22H22sing1.08Å1.10Å
C23C25doub1.38Å1.38ÅAromatic
C23H23sing1.08Å1.10Å
C24C25sing1.39Å1.41ÅAromatic
C24H24sing1.08Å1.10Å
C25H25sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1O2112.4°120.0°
O1C1C2123.4°120.0°
O2C1C2124.0°120.0°
C1O2HO2112.3°120.0°
C1C2C3108.4°109.5°
C1C2H21112.6°109.5°
C1C2H22A112.6°109.5°
C3C2H21112.6°109.4°
C3C2H22A112.6°109.5°
C2C3C4106.1°109.5°
C2C3C13112.2°109.5°
C2C3H3110.5°109.5°
H21C2H22A97.8°109.5°
C4C3C13110.9°109.5°
C4C3H3111.8°109.4°
C3C4O3121.7°120.0°
C3C4N2116.9°120.0°
C13C3H3105.5°109.5°
C3C13C14115.7°109.5°
C3C13H131110.0°109.4°
C3C13H132110.0°109.5°
O3C4N2121.4°120.0°
C4N2C5122.9°120.0°
C4N2HN2113.8°120.0°
C5N2HN2123.3°120.0°
N2C5C6112.4°110.2°
N2C5C17108.0°109.6°
N2C5H5108.6°109.1°
C6C5C17110.0°109.7°
C6C5H5106.6°109.1°
C5C6O4119.5°120.0°
C5C6N3116.6°119.6°
C17C5H5111.2°109.1°
C5C17C18112.5°110.7°
C5C17H171111.0°109.6°
C5C17H172111.1°109.2°
O4C6N3123.8°120.3°
C6N3C7124.0°115.9°
C6N3HN3112.4°122.7°
C7N3HN3123.6°121.4°
N3C7C8107.6°108.5°
N3C7H71112.9°110.0°
N3C7H72112.9°109.6°
C8C7H71112.9°109.7°
C8C7H72112.9°109.5°
C7C8C9115.7°109.7°
C7C8H81110.0°109.4°
C7C8H82110.0°109.4°
H71C7H7297.5°109.6°
C9C8H81110.0°109.4°
C9C8H82109.9°109.6°
C8C9C10115.6°109.8°
C8C9H91109.9°109.7°
C8C9H92109.9°109.4°
H81C8H82100.2°109.3°
C10C9H91110.0°109.5°
C10C9H92110.0°109.2°
C9C10C11112.9°109.4°
C9C10H101110.9°109.4°
C9C10H102110.9°109.6°
H91C9H92100.3°109.3°
C11C10H101111.0°109.4°
C11C10H102111.0°109.7°
C10C11C12117.1°109.8°
C10C11H111109.4°109.6°
C10C11H112109.4°109.3°
H101C10H10299.4°109.3°
C12C11H111109.5°109.5°
C12C11H112109.5°109.3°
C11C12N4109.7°109.8°
C11C12H121112.1°109.4°
C11C12H122112.1°109.5°
H111C11H112100.7°109.3°
N4C12H121112.1°109.4°
N4C12H122112.1°109.4°
C12N4C19126.1°125.0°
C12N4C21126.4°125.2°
H121C12H12298.4°109.3°
C19N4C21107.2°109.7°
N4C19C18112.0°110.3°
N4C19H19123.0°124.3°
N4C21C20108.7°107.2°
N4C21C23130.5°133.5°
C14C13H131109.9°109.5°
C14C13H132109.9°109.5°
C13C14C15112.0°109.4°
C13C14C16107.2°109.5°
C13C14H14110.3°109.4°
H131C13H132100.2°109.5°
C15C14C16112.2°109.5°
C15C14H14105.1°109.5°
C14C15H151112.0°109.4°
C14C15H152111.3°109.5°
C14C15H153111.2°109.5°
C16C14H14110.0°109.5°
C14C16H161107.3°109.5°
C14C16H162113.1°109.5°
C14C16H163113.1°109.5°
H151C15H152111.3°109.4°
H151C15H153111.3°109.5°
H152C15H15399.1°109.5°
H161C16H162113.1°109.5°
H161C16H163113.0°109.4°
H162C16H16397.4°109.5°
C18C17H171111.1°109.4°
C18C17H172111.1°109.1°
C17C18C19126.7°127.5°
C17C18C20129.0°125.8°
H171C17H17299.3°108.8°
C19C18C20104.4°106.7°
C18C19H19124.9°125.5°
C18C20C21107.7°106.2°
C18C20C22132.0°133.8°
C21C20C22120.3°120.0°
C20C21C23120.8°119.3°
C20C22C24118.3°119.7°
C20C22H22121.0°120.1°
C21C23C25118.1°119.8°
C21C23H23121.4°120.1°
C24C22H22120.7°120.1°
C22C24C25121.2°120.5°
C22C24H24118.7°119.7°
C25C23H23120.5°120.1°
C23C25C24121.2°120.7°
C23C25H25118.5°119.7°
C25C24H24120.1°119.7°
C24C25H25120.3°119.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1O2C2174.9°180.0°
O1C1O2HO2180.0°0.1°
O1C1C2C3110.7°6.2°
O1C1C2H2114.5°113.8°
O1C1C2H22A124.0°126.2°
O2C1C2C363.6°173.9°
O2C1C2H21171.1°66.2°
O2C1C2H22A61.7°53.9°
C2C1O2HO25.1°179.9°
C1C2C3H21125.3°120.0°
C1C2C3H22A125.3°120.0°
C1C2H21H22A118.6°120.0°
C1C2C3C4156.5°173.3°
C1C2C3C1382.2°66.7°
C1C2C3H335.2°53.4°
C3C2H21H22A118.5°120.0°
C2C3C4C13122.1°120.0°
C2C3C4H3120.4°120.0°
C2C3C13H3120.3°120.1°
C2C3C4O365.4°119.9°
C2C3C4N2112.2°60.0°
C2C3C13C14178.9°159.0°
C2C3C13H13153.6°81.1°
C2C3C13H13255.8°38.9°
H21C2C3C478.2°53.3°
H21C2C3C1343.0°173.3°
H21C2C3H3160.5°66.6°
H22AC2C3C431.2°66.7°
H22AC2C3C13152.5°53.3°
H22AC2C3H390.1°173.4°
C4C3C13H3121.2°119.9°
C3C4O3N2177.5°179.9°
C3C4N2C5179.3°179.9°
C3C4N2HN20.8°0.0°
C4C3C13C1462.6°81.0°
C4C3C13H131172.1°38.9°
C4C3C13H13262.6°158.9°
C13C3C4O356.7°0.1°
C13C3C4N2125.7°180.0°
C3C13C14H131125.3°119.9°
C3C13C14H132125.3°120.0°
C3C13H131H132115.8°120.0°
C3C13C14C1563.4°172.7°
C3C13C14C16173.0°67.3°
C3C13C14H1453.2°52.7°
H3C3C4O3174.1°120.1°
H3C3C4N28.3°60.0°
H3C3C13C1458.6°38.9°
H3C3C13H13166.7°158.9°
H3C3C13H132176.1°81.1°
O3C4N2C51.6°0.0°
O3C4N2HN2178.4°179.9°
C4N2C5HN2180.0°180.0°
C4N2C5C686.1°89.7°
C4N2C5C17152.3°149.4°
C4N2C5H531.6°30.0°
N2C5C6C17120.4°120.8°
N2C5C6H5118.9°119.7°
N2C5C17H5119.1°119.4°
N2C5C6O447.3°152.2°
N2C5C6N3135.3°28.1°
N2C5C17C18175.1°57.0°
N2C5C17H17149.8°177.7°
N2C5C17H17259.7°63.2°
HN2N2C5C693.8°90.3°
HN2N2C5C1727.7°30.6°
HN2N2C5H5148.4°150.0°
C6C5C17H5117.8°119.4°
C5C6O4N3177.3°179.7°
C5C6N3C7177.0°172.0°
C5C6N3HN33.0°8.7°
C6C5C17C1861.9°64.2°
C6C5C17H171172.8°56.5°
C6C5C17H17263.4°175.6°
C17C5C6O473.2°31.3°
C17C5C6N3104.3°149.0°
C5C17C18H171125.2°120.8°
C5C17C18H172125.2°120.2°
C5C17H171H172116.9°119.3°
C5C17C18C1998.0°25.1°
C5C17C18C2082.8°155.2°
H5C5C6O4166.2°88.1°
H5C5C6N316.3°91.6°
H5C5C17C1856.0°176.3°
H5C5C17H17169.3°62.9°
H5C5C17H172178.8°56.1°
O4C6N3C70.3°8.3°
O4C6N3HN3179.7°171.0°
C6N3C7HN3180.0°179.3°
C6N3C7C8159.4°129.6°
C6N3C7H7134.1°9.6°
C6N3C7H7275.3°110.9°
N3C7C8H71125.3°120.2°
N3C7C8H72125.3°119.5°
N3C7H71H72118.8°120.5°
N3C7C8C958.2°110.0°
N3C7C8H81176.5°129.9°
N3C7C8H8267.1°10.3°
HN3N3C7C820.6°51.1°
HN3N3C7H71145.9°171.1°
HN3N3C7H72104.6°68.4°
C8C7H71H72118.8°120.2°
C7C8C9H81125.3°120.0°
C7C8C9H82125.3°120.2°
C7C8H81H82115.8°119.7°
C7C8C9C1067.2°104.3°
C7C8C9H91167.5°16.1°
C7C8C9H9258.1°135.9°
H71C7C8C967.1°10.2°
H71C7C8H8158.2°109.9°
H71C7C8H82167.6°130.4°
H72C7C8C9176.5°130.5°
H72C7C8H8151.3°10.4°
H72C7C8H8258.2°109.2°
C9C8H81H82115.7°120.0°
C8C9C10H91125.2°120.5°
C8C9C10H92125.2°119.9°
C8C9H91H92115.7°119.9°
C8C9C10C11179.6°142.0°
C8C9C10H10154.2°98.2°
C8C9C10H10255.2°21.6°
H81C8C9C1058.1°135.7°
H81C8C9H9167.2°103.9°
H81C8C9H92176.6°15.9°
H82C8C9C10167.5°15.9°
H82C8C9H9142.3°136.2°
H82C8C9H9267.2°103.9°
C10C9H91H92115.8°119.6°
C9C10C11H101125.3°119.8°
C9C10C11H102125.2°120.3°
C9C10H101H102116.8°120.0°
C9C10C11C12102.9°161.3°
C9C10C11H111131.8°41.0°
C9C10C11H11222.4°78.8°
H91C9C10C1155.2°21.5°
H91C9C10H101179.5°141.3°
H91C9C10H10270.0°98.9°
H92C9C10C1154.3°98.1°
H92C9C10H10171.0°21.7°
H92C9C10H102179.6°141.5°
C11C10H101H102116.9°120.2°
C10C11C12H111125.3°120.4°
C10C11C12H112125.2°119.9°
C10C11H111H112115.2°119.8°
C10C11C12N457.6°89.5°
C10C11C12H12167.7°150.4°
C10C11C12H122177.2°30.6°
H101C10C11C1222.4°78.9°
H101C10C11H111102.9°160.8°
H101C10C11H112147.7°41.0°
H102C10C11C12131.9°41.0°
H102C10C11H1116.6°79.3°
H102C10C11H112102.8°160.9°
C12C11H111H112115.3°119.7°
C11C12N4H121125.2°120.1°
C11C12N4H122125.2°120.2°
C11C12H121H122118.0°119.9°
C11C12N4C1999.0°33.3°
C11C12N4C2174.1°146.9°
H111C11C12N4177.2°30.8°
H111C11C12H12157.6°89.3°
H111C11C12H12251.9°151.0°
H112C11C12N467.7°150.6°
H112C11C12H121167.1°30.5°
H112C11C12H12257.6°89.3°
N4C12H121H122118.1°119.7°
C12N4C19C21174.1°179.9°
C12N4C19C18174.0°178.7°
C12N4C19H196.0°1.5°
C12N4C21C20173.9°178.4°
C12N4C21C236.0°1.5°
H121C12N4C1926.2°153.4°
H121C12N4C21160.7°26.8°
H122C12N4C19135.8°87.0°
H122C12N4C2151.1°92.9°
N4C19C18C17179.3°179.9°
N4C19C18H19179.9°179.7°
N4C19C18C200.0°0.4°
C19N4C21C200.3°1.4°
C19N4C21C23179.9°178.6°
C21N4C19C180.2°1.2°
N4C21C20C180.2°1.2°
C21N4C19H19179.9°178.6°
N4C21C20C23179.8°179.9°
N4C21C20C22179.8°179.0°
N4C21C23C25180.0°179.3°
N4C21C23H230.0°1.0°
C14C13H131H132115.7°120.0°
C13C14C15C16120.7°120.0°
C13C14C15H14119.7°119.9°
C13C14C16H14119.9°120.0°
C13C14C15H151180.0°179.9°
C13C14C15H15254.7°60.1°
C13C14C15H15354.8°60.0°
C13C14C16H161180.0°52.9°
C13C14C16H16254.7°67.1°
C13C14C16H16354.8°172.9°
H131C13C14C1561.9°67.4°
H131C13C14C1661.7°52.6°
H131C13C14H14178.6°172.6°
H132C13C14C15171.3°52.6°
H132C13C14C1647.7°172.6°
H132C13C14H1472.1°67.4°
C15C14C16H14116.7°120.1°
C14C15H151H152125.3°119.9°
C14C15H151H153125.2°120.1°
C14C15H152H153117.1°120.1°
C15C14C16H16156.6°67.0°
C15C14C16H16268.7°172.9°
C15C14C16H163178.2°52.9°
C16C14C15H15159.3°60.0°
C16C14C15H152175.4°179.9°
C16C14C15H15365.9°60.0°
C14C16H161H162125.3°120.1°
C14C16H161H163125.3°120.0°
C14C16H162H163119.0°120.0°
H14C14C15H15160.3°60.0°
H14C14C15H15265.0°59.9°
H14C14C15H153174.5°179.9°
H14C14C16H16160.1°172.9°
H14C14C16H162174.6°52.9°
H14C14C16H16365.2°67.1°
H151C15H152H153117.2°120.0°
H161C16H162H163118.9°119.9°
C18C17H171H172117.0°119.1°
C17C18C19C20179.3°179.8°
C17C18C19H190.7°0.4°
C17C18C20C21179.2°179.3°
C17C18C20C220.8°0.6°
H171C17C18C19136.7°95.7°
H171C17C18C2042.4°84.0°
H172C17C18C1927.2°145.4°
H172C17C18C20151.9°34.9°
C19C18C20C210.1°0.5°
C19C18C20C22179.9°179.6°
C20C18C19H19180.0°179.4°
C18C20C21C22180.0°179.9°
C18C20C21C23179.9°178.9°
C18C20C22C24179.7°179.2°
C18C20C22H220.3°0.9°
C21C20C22C240.3°0.7°
C21C20C22H22179.7°179.3°
C20C21C23C250.2°0.6°
C20C21C23H23179.8°179.1°
C22C20C21C230.1°1.0°
C20C22C24H22180.0°180.0°
C20C22C24C250.2°0.0°
C20C22C24H24179.8°179.9°
C21C23C25H23179.9°179.7°
C21C23C25C240.2°0.1°
C21C23C25H25179.8°179.9°
C22C24C25C230.0°0.4°
C22C24C25H24179.9°179.9°
C22C24C25H25180.0°179.6°
H22C22C24C25179.7°180.0°
H22C22C24H240.2°0.0°
C23C25C24H25180.0°180.0°
C23C25C24H24179.9°179.6°
H23C23C25C24179.7°179.8°
H23C23C25H250.2°0.2°
H24C24C25H250.1°0.4°

222415

PDB entries from 2024-07-10

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