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A1EV3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O27C28sing1.44Å1.39Å
O27C26sing1.36Å1.40Å
C30C26doub1.39Å1.42ÅAromatic
C30C31sing1.38Å1.39ÅAromatic
C28O29sing1.44Å1.39Å
C26C25sing1.39Å1.36ÅAromatic
C31C23doub1.38Å1.39ÅAromatic
O29C25sing1.37Å1.40Å
C25C24doub1.38Å1.41ÅAromatic
C23C24sing1.38Å1.39ÅAromatic
C23C03sing1.51Å1.54Å
C03C02sing1.51Å1.54Å
C03C01sing1.52Å1.57Å
C03C04sing1.53Å1.61Å
C02C01sing1.52Å1.57Å
C01C07sing1.52Å1.43Å
C04C05sing1.53Å1.43Å
C07C06sing1.52Å1.60Å
C05C06sing1.53Å1.55Å
C06N08sing1.47Å1.33Å
N08C09sing1.47Å1.35Å
N08C22sing1.47Å1.35Å
C09C10sing1.53Å1.52Å
C22C21sing1.53Å1.53Å
C10N11sing1.47Å1.35Å
C21N11sing1.47Å1.36Å
N11C12sing1.47Å1.29Å
C12C13sing1.51Å1.56Å
C20C13doub1.38Å1.39ÅAromatic
C20C18sing1.38Å1.40ÅAromatic
CL19C18sing1.74Å1.78Å
C13C14sing1.38Å1.37ÅAromatic
C18C17doub1.38Å1.39ÅAromatic
C14BR15sing1.89Å1.92Å
C14C16doub1.38Å1.38ÅAromatic
C17C16sing1.38Å1.39ÅAromatic
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C17H3sing1.08Å1.08Å
C20H4sing1.08Å1.08Å
C21H5sing1.09Å1.10Å
C21H6sing1.09Å1.10Å
C22H7sing1.09Å1.10Å
C22H8sing1.09Å1.10Å
C24H9sing1.08Å1.08Å
C28H10sing1.09Å1.10Å
C01H11sing1.09Å1.10Å
C02H12sing1.09Å1.10Å
C02H13sing1.09Å1.10Å
C04H14sing1.09Å1.10Å
C04H15sing1.09Å1.10Å
C05H16sing1.09Å1.10Å
C05H17sing1.09Å1.10Å
C06H18sing1.09Å1.10Å
C07H19sing1.09Å1.10Å
C07H20sing1.09Å1.10Å
C09H21sing1.09Å1.10Å
C09H22sing1.09Å1.10Å
C12H23sing1.09Å1.10Å
C12H24sing1.09Å1.10Å
C16H25sing1.08Å1.08Å
C30H26sing1.08Å1.08Å
C31H27sing1.08Å1.08Å
C28H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C28O27C26108.2°105.5°
O27C28O29107.0°103.8°
O27C28H10110.1°110.7°
O27C28H29110.1°110.6°
O27C26C30131.9°131.5°
O27C26C25107.2°108.7°
C26C30C31119.9°120.0°
C30C26C25120.9°119.8°
C26C30H26120.0°120.0°
C30C31C23118.1°120.1°
C31C30H26120.0°120.0°
C30C31H27120.9°119.9°
C28O29C25107.1°105.5°
O29C28H10110.1°110.6°
O29C28H29110.1°110.6°
C26C25O29109.4°108.6°
C26C25C24119.8°119.9°
C31C23C24122.0°120.1°
C31C23C03123.5°119.9°
C23C31H27120.9°120.0°
O29C25C24130.8°131.5°
C25C24C23119.2°120.0°
C25C24H9120.4°120.0°
C24C23C03114.4°120.0°
C23C24H9120.4°120.0°
C23C03C0293.2°117.2°
C23C03C01135.8°117.1°
C23C03C04106.5°114.9°
C02C03C0160.4°60.3°
C02C03C0497.1°116.0°
C03C02C0160.6°60.1°
C03C02H12119.9°117.1°
C03C02H13119.9°117.8°
C01C03C04111.1°120.4°
C03C01C0259.1°59.7°
C03C01C07113.6°120.0°
C03C01H11110.1°116.0°
C03C04C05114.9°110.2°
C03C04H14108.1°109.4°
C03C04H15108.1°109.4°
C02C01C07136.5°119.8°
C02C01H11110.1°115.9°
C01C02H12119.9°117.6°
C01C02H13119.9°117.6°
C01C07C06109.1°110.6°
C07C01H11112.1°114.6°
C01C07H19109.6°109.3°
C01C07H20109.6°109.2°
C04C05C06107.2°108.6°
C05C04H14108.1°109.3°
C05C04H15108.1°109.4°
C04C05H16110.0°109.7°
C04C05H17110.0°109.6°
C07C06C05108.6°108.3°
C07C06N08109.1°109.5°
C07C06H18107.5°110.2°
C06C07H19109.6°110.1°
C06C07H20109.6°108.4°
C05C06N08112.3°109.6°
C06C05H16110.1°109.7°
C06C05H17110.1°109.6°
C05C06H18108.0°109.6°
C06N08C09103.9°111.0°
C06N08C22110.0°111.0°
N08C06H18111.1°109.6°
C09N08C22111.5°110.9°
N08C09C10112.7°109.4°
N08C09H21108.6°109.4°
N08C09H22108.6°109.5°
N08C22C21108.7°109.4°
N08C22H7109.7°109.5°
N08C22H8109.7°109.5°
C09C10N11110.0°109.4°
C09C10H1109.4°109.5°
C09C10H2109.4°109.5°
C10C09H21108.6°109.5°
C10C09H22108.7°109.5°
C22C21N11112.3°109.4°
C22C21H5108.8°109.5°
C22C21H6108.7°109.5°
C21C22H7109.6°109.5°
C21C22H8109.7°109.5°
C10N11C21109.1°110.9°
C10N11C12106.4°111.0°
N11C10H1109.3°109.5°
N11C10H2109.4°109.5°
C21N11C12107.1°111.0°
N11C21H5108.7°109.4°
N11C21H6108.8°109.4°
N11C12C13114.4°109.5°
N11C12H23108.2°109.5°
N11C12H24108.2°109.4°
C12C13C20126.8°120.0°
C12C13C14113.5°120.0°
C13C12H23108.2°109.5°
C13C12H24108.2°109.5°
C13C20C18118.8°120.0°
C20C13C14119.6°120.0°
C13C20H4120.6°120.0°
C20C18CL19120.5°120.0°
C20C18C17120.8°120.0°
C18C20H4120.6°120.0°
CL19C18C17118.8°120.0°
C13C14BR15114.3°120.0°
C13C14C16122.4°120.0°
C18C17C16119.9°120.0°
C18C17H3120.0°120.0°
BR15C14C16123.4°120.0°
C14C16C17118.6°120.0°
C14C16H25120.7°120.0°
C16C17H3120.1°120.0°
C17C16H25120.7°120.0°
H1C10H2109.5°109.5°
H5C21H6109.5°109.6°
H7C22H8109.5°109.4°
H10C28H29109.5°110.5°
H12C02H13109.5°115.6°
H14C04H15109.5°109.2°
H16C05H17109.5°109.7°
H19C07H20109.4°109.2°
H21C09H22109.5°109.5°
H23C12H24109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C28O27C26C30173.9°162.8°
O27C28O29H10119.6°118.7°
O27C28O29H29119.6°118.6°
C28O27C26C256.6°17.2°
O27C28O29C2510.6°27.0°
O27C28H10H29121.2°122.8°
O27C26C30C25179.5°180.0°
O27C26C30C31179.3°179.7°
C26O27C28O2910.7°27.0°
O27C26C25O290.1°0.1°
O27C26C25C24180.0°180.0°
C26O27C28H10130.3°145.7°
O27C26C30H260.7°0.0°
C26O27C28H29108.9°91.6°
C26C30C31H26180.0°179.8°
C26C30C31C230.5°0.3°
C30C26C25O29179.5°180.0°
C30C26C25C240.4°0.0°
C26C30C31H27179.5°180.0°
C31C30C26C250.2°0.2°
C30C31C23H27180.0°179.7°
C30C31C23C240.3°0.0°
C30C31C23C03178.4°180.0°
C28O29C25C266.7°17.2°
C28O29C25C24173.4°162.8°
O29C28H10H29121.2°122.7°
C26C25O29C24179.9°179.9°
C26C25C24C230.6°0.3°
C26C25C24H9179.4°180.0°
C25C26C30H26179.8°180.0°
C31C23C24C250.3°0.2°
C31C23C24C03178.8°179.9°
C31C23C03C02132.4°68.7°
C31C23C03C0183.2°0.0°
C31C23C03C04129.3°149.9°
C31C23C24H9179.7°180.0°
C23C31C30H26179.5°179.9°
O29C25C24C23179.2°179.8°
O29C25C24H90.7°0.1°
C25O29C28H10130.1°145.7°
C25O29C28H29109.0°91.6°
C25C24C23H9180.0°179.7°
C25C24C23C03179.1°179.7°
C24C23C03C0248.8°111.4°
C24C23C03C0198.0°179.9°
C24C23C03C0449.5°30.0°
C24C23C31H27179.7°179.8°
C23C03C02C01142.7°107.3°
C23C03C02C04107.1°141.0°
C23C03C01C04146.5°148.1°
C23C03C01C07168.3°143.5°
C23C03C04C05157.3°127.9°
C03C23C24H90.9°0.0°
C23C03C01H1141.6°1.2°
C23C03C02H1233.0°145.0°
C23C03C02H13107.7°0.2°
C23C03C04H1481.9°111.9°
C23C03C04H1536.5°7.7°
C03C23C31H271.6°0.3°
C02C03C01C0486.1°104.5°
C03C02C01H12109.6°107.0°
C03C02C01H13109.6°107.8°
C02C03C01C07131.3°109.1°
C02C03C04C05107.3°90.2°
C02C03C01H11102.0°106.2°
C03C02H12H13144.4°145.6°
C02C03C04H1413.6°30.0°
C02C03C04H15131.9°149.6°
C03C01C07H11125.6°145.2°
C01C03C04C0546.4°20.9°
C03C01C07C0655.4°21.5°
C01C03C04H1474.5°99.3°
C01C03C04H15167.2°141.1°
C03C01C07H1964.5°99.8°
C03C01C07H20175.4°140.8°
C04C03C01C0745.2°4.6°
C03C04C05H14120.8°120.3°
C03C04C05H15120.8°120.2°
C03C04C05C0656.5°54.5°
C04C03C01H11171.9°149.3°
C04C03C02H12140.1°4.0°
C04C03C02H130.7°140.8°
C03C04H14H15117.5°119.7°
C03C04C05H16176.1°174.3°
C03C04C05H1763.2°65.2°
C02C01C07H11165.2°144.8°
C02C01C07C0613.8°48.5°
C01C02H12H13144.4°145.9°
C02C01C07H19133.7°169.8°
C02C01C07H20106.1°70.7°
C01C07C06H19119.9°120.8°
C01C07C06H20120.0°119.7°
C01C07C06C0565.6°55.1°
C01C07C06N08171.6°174.6°
C07C01C02H12157.7°2.4°
C07C01C02H1316.9°142.7°
C01C07C06H1851.0°64.8°
C01C07H19H20120.2°119.5°
C04C05C06C0764.9°74.8°
C04C05C06H16119.7°119.8°
C04C05C06H17119.6°119.7°
C04C05C06N08174.3°165.9°
C05C04H14H15117.5°119.6°
C04C05H16H17121.0°120.4°
C04C05C06H1851.4°45.5°
C07C06C05N08120.8°119.4°
C07C06C05H18116.3°120.3°
C07C06N08H18118.4°121.0°
C07C06N08C0967.3°176.3°
C07C06N08C22173.3°59.8°
C06C07C01H11179.0°166.7°
C07C06C05H16175.4°165.4°
C07C06C05H1754.7°44.9°
C06C07H19H20120.2°118.9°
C05C06N08H18121.1°120.4°
C05C06N08C09172.2°65.0°
C05C06N08C2252.7°58.8°
C06C05C04H1464.3°65.8°
C06C05C04H15177.3°174.7°
C06C05H16H17121.1°120.5°
C05C06C07H1954.3°65.7°
C05C06C07H20174.4°174.9°
C06N08C09C22118.4°123.9°
C06N08C09C10177.0°176.8°
C06N08C22C21141.6°176.8°
C06N08C22H721.7°56.8°
C06N08C22H898.5°63.2°
N08C06C05H1654.6°46.1°
N08C06C05H1766.1°74.5°
N08C06C07H1968.4°53.7°
N08C06C07H2051.7°65.7°
C06N08C09H2156.5°63.2°
C06N08C09H2262.6°56.8°
N08C09C10H21120.5°120.0°
N08C09C10H22120.5°120.0°
C09N08C22C2126.9°59.3°
N08C09C10N1134.2°58.4°
N08C09C10H185.9°61.6°
N08C09C10H2154.3°178.3°
C09N08C22H792.9°179.3°
C09N08C22H8146.8°60.8°
C09N08C06H1851.0°55.4°
N08C09H21H22118.5°120.0°
C22N08C09C1064.7°59.3°
N08C22C21H7119.9°120.0°
N08C22C21H8119.9°120.0°
N08C22C21N1138.4°58.4°
N08C22C21H582.0°178.3°
N08C22C21H6158.8°61.6°
N08C22H7H8120.4°120.0°
C22N08C06H1868.4°179.2°
C22N08C09H21174.9°60.7°
C22N08C09H2255.8°179.3°
C09C10N11H1120.1°120.0°
C09C10N11H2120.1°120.0°
C09C10N11C2130.1°59.3°
C09C10N11C12145.3°64.5°
C09C10H1H2119.8°120.1°
C10C09H21H22118.5°120.1°
C22C21N11C1068.3°59.3°
C22C21N11H5120.4°120.0°
C22C21N11H6120.4°120.0°
C22C21N11C12177.0°64.5°
C22C21H5H6118.7°120.1°
C21C22H7H8120.4°120.0°
C10N11C21C12114.7°123.8°
C10N11C12C1391.7°170.0°
N11C10H1H2119.8°120.0°
C10N11C21H552.1°179.2°
C10N11C21H6171.3°60.7°
N11C10C09H21154.6°61.6°
N11C10C09H2286.3°178.4°
C10N11C12H2329.1°69.9°
C10N11C12H24147.6°50.0°
C21N11C12C13151.8°66.3°
C21N11C10H1150.1°60.7°
C21N11C10H290.0°179.3°
N11C21H5H6118.7°120.0°
N11C21C22H7158.2°178.4°
N11C21C22H881.5°61.6°
C21N11C12H2387.4°53.8°
C21N11C12H2431.1°173.8°
N11C12C13H23120.7°120.1°
N11C12C13H24120.8°119.9°
N11C12C13C2011.3°100.3°
N11C12C13C14168.9°80.0°
C12N11C10H194.6°175.5°
C12N11C10H225.2°55.5°
C12N11C21H562.6°55.4°
C12N11C21H656.6°175.5°
N11C12H23H24117.8°120.0°
C12C13C20C14179.7°179.7°
C12C13C20C18179.5°179.7°
C12C13C14BR150.2°0.3°
C12C13C14C16179.7°179.8°
C12C13C20H40.5°0.3°
C13C12H23H24117.7°120.0°
C13C20C18H4180.0°180.0°
C13C20C18CL19179.7°180.0°
C13C20C18C170.3°0.0°
C20C13C14BR15179.9°180.0°
C20C13C14C160.1°0.0°
C20C13C12H23132.1°19.8°
C20C13C12H24109.4°139.7°
C20C18CL19C17180.0°180.0°
C18C20C13C140.2°0.0°
C20C18C17C160.2°0.0°
C20C18C17H3179.8°180.0°
CL19C18C17C16179.8°180.0°
CL19C18C17H30.2°0.0°
CL19C18C20H40.3°0.0°
C13C14BR15C16179.9°180.0°
C13C14C16C170.0°0.1°
C14C13C20H4179.8°180.0°
C14C13C12H2348.2°160.0°
C14C13C12H2470.3°40.0°
C13C14C16H25179.9°180.0°
C18C17C16C140.1°0.1°
C18C17C16H3180.0°179.9°
C17C18C20H4179.7°180.0°
C18C17C16H25180.0°180.0°
BR15C14C16C17179.8°180.0°
BR15C14C16H250.2°0.0°
C14C16C17H25180.0°179.9°
C14C16C17H3179.9°180.0°
H1C10C09H2134.6°178.5°
H1C10C09H22153.6°58.4°
H2C10C09H2185.3°58.4°
H2C10C09H2233.8°61.7°
H3C17C16H250.0°0.1°
H5C21C22H737.9°61.7°
H5C21C22H8158.1°58.3°
H6C21C22H781.4°58.5°
H6C21C22H838.9°178.5°
H11C01C02H127.7°146.8°
H11C01C02H13148.5°1.6°
H11C01C07H1961.1°45.4°
H11C01C07H2059.0°74.1°
H14C04C05H1655.3°54.0°
H14C04C05H17176.0°174.5°
H15C04C05H1663.1°65.5°
H15C04C05H1757.6°55.0°
H16C05C06H1868.3°74.3°
H17C05C06H18171.0°165.2°
H18C06C07H19170.9°174.3°
H18C06C07H2069.0°54.9°
H26C30C31H270.5°0.2°

258735

PDB entries from 2026-08-26

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