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E20

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.39Å1.40ÅAromatic
C1C6sing1.38Å1.43ÅAromatic
C1O25sing1.36Å1.37Å
C2C3sing1.39Å1.42ÅAromatic
C2O27sing1.36Å1.31Å
C3C4doub1.38Å1.45ÅAromatic
C3H3sing1.08Å1.10Å
C4C5sing1.39Å1.42ÅAromatic
C4C9sing1.51Å1.51Å
C5C6doub1.41Å1.39ÅAromatic
C5C7sing1.47Å1.43Å
C6H6sing1.08Å1.10Å
C7C8sing1.51Å1.55Å
C7O24doub1.21Å1.26Å
C8C9sing1.53Å1.54Å
C8C10sing1.53Å1.51Å
C8H8sing1.09Å1.12Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.11Å
C10C11sing1.53Å1.47Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.11Å
C11C12sing1.53Å1.52Å
C11C16sing1.53Å1.57Å
C11H11sing1.09Å1.11Å
C12C13sing1.53Å1.50Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C13N14sing1.47Å1.50Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.11Å
N14C15sing1.47Å1.51Å
N14C17sing1.47Å1.51Å
C15C16sing1.53Å1.56Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.11Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
C17C18sing1.51Å1.52Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.11Å
C18C19doub1.38Å1.43ÅAromatic
C18C23sing1.38Å1.43ÅAromatic
C19C20sing1.38Å1.44ÅAromatic
C19H19sing1.08Å1.10Å
C20C21doub1.38Å1.40ÅAromatic
C20H20sing1.08Å1.10Å
C21C22sing1.38Å1.43ÅAromatic
C21H21sing1.08Å1.10Å
C22C23doub1.38Å1.43ÅAromatic
C22H22sing1.08Å1.10Å
C23H23sing1.08Å1.10Å
O25C26sing1.43Å1.51Å
C26H261sing1.09Å1.12Å
C26H262sing1.09Å1.12Å
C26H263sing1.09Å1.11Å
O27C28sing1.43Å1.41Å
C28H281sing1.09Å1.11Å
C28H282sing1.09Å1.12Å
C28H283sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6118.7°120.0°
C2C1O25122.4°120.0°
C1C2C3122.0°120.0°
C1C2O27130.1°120.0°
C6C1O25118.9°120.0°
C1C6C5120.5°120.1°
C1C6H6121.1°120.0°
C1O25C26123.1°106.8°
C3C2O27107.7°120.0°
C2C3C4118.8°120.3°
C2C3H3119.5°119.8°
C2O27C28124.7°106.8°
C4C3H3121.7°119.9°
C3C4C5118.2°120.1°
C3C4C9131.7°130.4°
C5C4C9109.9°109.6°
C4C5C6121.8°119.4°
C4C5C7113.0°110.7°
C4C9C8103.9°106.3°
C4C9H91114.3°110.1°
C4C9H92114.3°110.1°
C6C5C7125.1°129.9°
C5C6H6118.4°119.9°
C5C7C8105.3°108.2°
C5C7O24125.6°125.9°
C8C7O24129.1°125.9°
C7C8C9107.6°105.3°
C7C8C10116.8°110.3°
C7C8H8103.6°110.3°
C9C8C10101.4°110.3°
C9C8H8118.5°110.3°
C8C9H91114.3°110.1°
C8C9H92114.3°110.2°
C10C8H8109.6°110.2°
C8C10C11119.8°109.5°
C8C10H101108.5°109.5°
C8C10H102108.5°109.4°
H91C9H9296.2°110.1°
C11C10H101108.5°109.4°
C11C10H102108.5°109.6°
C10C11C12111.6°109.6°
C10C11C16113.8°109.5°
C10C11H11105.8°109.6°
H101C10H102101.6°109.5°
C12C11C16112.1°108.9°
C12C11H11107.7°109.6°
C11C12C13112.3°109.2°
C11C12H121111.2°109.6°
C11C12H122111.2°109.5°
C16C11H11105.1°109.6°
C11C16C15114.3°109.2°
C11C16H161110.4°109.5°
C11C16H162110.5°109.5°
C13C12H121111.2°109.6°
C13C12H122111.2°109.4°
C12C13N14112.4°109.8°
C12C13H131111.1°109.4°
C12C13H132111.1°109.4°
H121C12H12299.1°109.5°
N14C13H131111.1°109.5°
N14C13H132111.1°109.4°
C13N14C15113.4°107.3°
C13N14C17122.5°106.7°
H131C13H13299.2°109.3°
C15N14C17100.9°106.7°
N14C15C16108.9°109.8°
N14C15H151112.4°109.4°
N14C15H152112.4°109.4°
N14C17C18115.1°109.5°
N14C17H171110.2°109.5°
N14C17H172110.2°109.5°
C16C15H151112.4°109.4°
C16C15H152112.4°109.4°
C15C16H161110.4°109.5°
C15C16H162110.5°109.5°
H151C15H15298.0°109.4°
H161C16H16299.8°109.5°
C18C17H171110.2°109.5°
C18C17H172110.2°109.5°
C17C18C19118.1°120.0°
C17C18C23121.9°120.0°
H171C17H172100.1°109.5°
C19C18C23119.9°120.0°
C18C19C20120.4°120.0°
C18C19H19119.6°120.0°
C18C23C22118.7°120.0°
C18C23H23120.6°120.0°
C20C19H19120.0°120.0°
C19C20C21119.7°120.0°
C19C20H20121.5°120.0°
C21C20H20118.8°120.0°
C20C21C22120.2°120.0°
C20C21H21118.6°120.0°
C22C21H21121.2°120.0°
C21C22C23120.9°120.0°
C21C22H22119.7°120.0°
C23C22H22119.5°120.0°
C22C23H23120.7°120.0°
O25C26H261123.1°109.5°
O25C26H262107.4°109.5°
O25C26H263107.4°109.4°
H261C26H262107.3°109.5°
H261C26H263107.4°109.5°
H262C26H263102.4°109.4°
O27C28H281124.7°109.5°
O27C28H282106.8°109.5°
O27C28H283106.8°109.5°
H281C28H282106.8°109.5°
H281C28H283106.9°109.4°
H282C28H283102.8°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6O25178.5°179.5°
C1C2C3O27174.6°179.7°
C1C2C3C40.2°0.3°
C1C2C3H3179.8°179.7°
C2C1C6C51.4°0.5°
C2C1C6H6178.6°179.7°
C2C1O25C26178.3°179.5°
C1C2O27C285.3°179.7°
C6C1C2C30.3°0.6°
C6C1C2O27173.6°179.7°
C1C6C5C42.1°0.2°
C1C6C5H6180.0°179.8°
C1C6C5C7179.0°179.7°
C6C1O25C263.3°0.0°
O25C1C2C3178.1°180.0°
O25C1C2O274.8°0.2°
O25C1C6C5177.1°180.0°
O25C1C6H62.9°0.2°
C1O25C26H261179.9°180.0°
C1O25C26H26254.8°60.0°
C1O25C26H26354.7°60.0°
C2C3C4H3180.0°180.0°
C2C3C4C50.5°0.0°
C2C3C4C9176.1°180.0°
C3C2O27C28179.3°0.0°
O27C2C3C4174.4°179.9°
O27C2C3H35.6°0.0°
C2O27C28H281180.0°180.0°
C2O27C28H28254.7°60.0°
C2O27C28H28354.7°60.1°
C3C4C5C9176.6°180.0°
C3C4C5C61.6°0.0°
C3C4C5C7178.8°180.0°
C3C4C9C8178.6°180.0°
C3C4C9H9153.3°60.8°
C3C4C9H9256.1°60.7°
H3C3C4C5179.6°180.0°
H3C3C4C93.9°0.0°
C4C5C6C7176.9°179.9°
C4C5C6H6177.9°180.0°
C4C5C7C84.4°0.1°
C4C5C7O24173.9°180.0°
C5C4C9C82.6°0.0°
C5C4C9H91122.6°119.2°
C5C4C9H92127.9°119.3°
C9C4C5C6178.2°180.0°
C9C4C5C74.6°0.0°
C4C9C8C70.0°0.1°
C4C9C8H91125.2°119.2°
C4C9C8H92125.3°119.3°
C4C9C8C10123.3°119.1°
C4C9C8H8116.8°118.9°
C4C9H91H92120.2°121.6°
C6C5C7C8178.4°180.0°
C6C5C7O243.2°0.1°
C7C5C6H61.0°0.1°
C5C7C8O24178.3°179.9°
C5C7C8C92.6°0.1°
C5C7C8C10115.8°119.0°
C5C7C8H8123.6°119.0°
C7C8C9C10123.2°119.0°
C7C8C9H8116.9°119.0°
C7C8C10H8117.3°122.0°
C7C8C9H91125.3°119.2°
C7C8C9H92125.2°119.2°
C7C8C10C11150.4°178.4°
C7C8C10H10184.4°61.7°
C7C8C10H10225.2°58.3°
O24C7C8C9175.7°180.0°
O24C7C8C1062.5°61.0°
O24C7C8H858.1°61.0°
C9C8C10H8126.0°122.1°
C8C9H91H92120.3°121.6°
C9C8C10C1192.9°65.7°
C9C8C10H10132.3°54.2°
C9C8C10H102141.8°174.2°
C10C8C9H91111.5°121.8°
C10C8C9H922.0°0.2°
C8C10C11H101125.2°120.0°
C8C10C11H102125.2°120.0°
C8C10H101H102114.2°120.0°
C8C10C11C1271.4°174.3°
C8C10C11C1656.8°66.3°
C8C10C11H11171.7°54.0°
H8C8C9H918.4°0.2°
H8C8C9H92117.9°121.8°
H8C8C10C1133.1°56.4°
H8C8C10H101158.3°176.3°
H8C8C10H10292.2°63.7°
C11C10H101H102114.2°120.1°
C10C11C12C16129.1°119.8°
C10C11C12H11115.7°120.3°
C10C11C16H11115.3°120.3°
C10C11C12C13177.3°175.3°
C10C11C12H12157.4°64.6°
C10C11C12H12252.0°55.5°
C10C11C16C15175.1°175.4°
C10C11C16H16149.8°55.4°
C10C11C16H16259.6°64.7°
H101C10C11C12163.4°54.3°
H101C10C11C1668.4°173.7°
H101C10C11H1146.5°66.0°
H102C10C11C1253.8°65.7°
H102C10C11C16178.0°53.7°
H102C10C11H1163.0°174.0°
C12C11C16H11116.8°119.9°
C11C12C13H121125.3°120.0°
C11C12C13H122125.3°119.9°
C11C12H121H122117.0°120.1°
C11C12C13N1454.3°61.4°
C11C12C13H13171.0°58.8°
C11C12C13H132179.5°178.5°
C12C11C16C1547.2°55.6°
C12C11C16H16178.1°64.4°
C12C11C16H162172.5°175.5°
C16C11C12C1348.2°55.5°
C16C11C12H121173.5°175.6°
C16C11C12H12277.1°64.3°
C11C16C15N1449.5°61.4°
C11C16C15H161125.2°119.9°
C11C16C15H162125.3°119.9°
C11C16C15H15175.8°58.7°
C11C16C15H152174.7°178.5°
C11C16H161H162116.3°120.1°
H11C11C12C1367.0°64.4°
H11C11C12H12158.3°55.7°
H11C11C12H122167.7°175.7°
H11C11C16C1569.6°64.3°
H11C11C16H161165.1°175.7°
H11C11C16H16255.7°55.6°
C13C12H121H122117.1°120.0°
C12C13N14H131125.3°120.1°
C12C13N14H132125.2°120.2°
C12C13H131H132117.0°119.8°
C12C13N14C1559.3°65.6°
C12C13N14C17179.4°179.7°
H121C12C13N14179.6°178.6°
H121C12C13H13154.3°61.3°
H121C12C13H13255.2°58.4°
H122C12C13N1471.0°58.6°
H122C12C13H131163.7°178.7°
H122C12C13H13254.2°61.6°
N14C13H131H132117.0°119.8°
C13N14C15C17132.8°114.1°
C13N14C15C1655.2°65.6°
C13N14C15H15170.1°54.5°
C13N14C15H152179.6°174.3°
C13N14C17C1868.7°180.0°
C13N14C17H171166.1°60.0°
C13N14C17H17256.6°60.0°
H131C13N14C1566.0°54.5°
H131C13N14C1755.3°59.6°
H132C13N14C15175.5°174.2°
H132C13N14C1754.2°60.2°
N14C15C16H151125.3°120.1°
N14C15C16H152125.2°120.1°
N14C15H151H152118.3°119.8°
N14C15C16H16175.7°58.5°
N14C15C16H162174.8°178.7°
C15N14C17C18164.3°65.5°
C15N14C17H17139.0°54.5°
C15N14C17H17270.5°174.5°
C17N14C15C16172.0°179.7°
C17N14C15H15162.7°59.6°
C17N14C15H15246.7°60.2°
N14C17C18H171125.2°120.0°
N14C17C18H172125.3°120.0°
N14C17H171H172116.0°120.0°
N14C17C18C1993.9°90.0°
N14C17C18C2383.5°90.3°
C16C15H151H152118.3°119.8°
C15C16H161H162116.3°120.2°
H151C15C16H161159.0°178.6°
H151C15C16H16249.5°61.2°
H152C15C16H16149.5°61.6°
H152C15C16H16260.0°58.6°
C18C17H171H172116.0°120.0°
C17C18C19C23177.5°179.7°
C17C18C19C20173.2°180.0°
C17C18C19H196.9°0.0°
C17C18C23C22171.8°179.8°
C17C18C23H238.1°0.3°
H171C17C18C1931.3°30.0°
H171C17C18C23151.3°149.7°
H172C17C18C19140.8°150.0°
H172C17C18C2341.8°29.7°
C18C19C20H19180.0°180.0°
C18C19C20C211.3°0.0°
C18C19C20H20178.7°180.0°
C19C18C23C225.5°0.5°
C19C18C23H23174.5°180.0°
C23C18C19C204.3°0.3°
C23C18C19H19175.7°179.7°
C18C23C22C213.8°0.4°
C18C23C22H23180.0°179.5°
C18C23C22H22176.1°179.7°
C19C20C21H20180.0°180.0°
C19C20C21C220.5°0.0°
C19C20C21H21179.5°180.0°
H19C19C20C21178.7°180.0°
H19C19C20H201.3°0.0°
C20C21C22H21180.0°180.0°
C20C21C22C230.9°0.2°
C20C21C22H22179.1°180.0°
H20C20C21C22179.6°180.0°
H20C20C21H210.5°0.0°
C21C22C23H22180.0°179.9°
C21C22C23H23176.2°180.0°
H21C21C22C23179.2°179.8°
H21C21C22H220.9°0.0°
H22C22C23H233.8°0.1°
O25C26H261H262125.2°120.0°
O25C26H261H263125.4°120.0°
O25C26H262H263112.9°119.9°
H261C26H262H263112.9°120.0°
O27C28H281H282125.2°120.1°
O27C28H281H283125.3°120.0°
O27C28H282H283112.3°120.0°
H281C28H282H283112.3°119.9°

223790

PDB entries from 2024-08-14

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