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A1EDR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N2C5sing1.47Å1.46Å
N2C8sing1.34Å1.34Å
C5C4sing1.53Å1.53Å
C5C6sing1.51Å1.53Å
O2C8doub1.22Å1.25Å
C8C7sing1.46Å1.49Å
C4C3sing1.53Å1.52Å
C6C7sing1.41Å1.45Å
C6O4doub1.21Å1.23Å
C7C9doub1.40Å1.43Å
C3C2sing1.53Å1.53Å
O3C9sing1.35Å1.32Å
C9C10sing1.41Å1.40Å
C10C11doub1.36Å1.38Å
C2N1sing1.47Å1.46Å
C11C12sing1.42Å1.44Å
N1C1sing1.35Å1.34Å
C1O1doub1.22Å1.24Å
C1C14sing1.46Å1.39Å
C12C13doub1.33Å1.33Å
C14C15doub1.35Å1.33Å
C15C16sing1.46Å1.45Å
C13C19sing1.51Å1.52Å
C16C17doub1.33Å1.34Å
C17C18sing1.50Å1.51Å
C19C18sing1.52Å1.56Å
C19C20sing1.51Å1.49Å
C18C29sing1.50Å1.53Å
C27C20sing1.52Å1.53Å
C27C25sing1.55Å1.55Å
C20C21sing1.56Å1.54Å
C29C28doub1.32Å1.32Å
C25C26sing1.53Å1.53Å
C25C22sing1.55Å1.53Å
C21C28sing1.51Å1.49Å
C21C22sing1.53Å1.56Å
C22C23sing1.53Å1.53Å
C23C24sing1.53Å1.52Å
C2H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C11H12sing1.08Å1.08Å
C12H13sing1.08Å1.08Å
C15H16sing1.08Å1.08Å
C16H17sing1.08Å1.08Å
C18H19sing1.09Å1.10Å
C24H28sing1.09Å1.10Å
C24H26sing1.09Å1.10Å
C24H27sing1.09Å1.10Å
C27H33sing1.09Å1.10Å
C27H34sing1.09Å1.10Å
C10H11sing1.08Å1.08Å
C14H15sing1.08Å1.08Å
C20H21sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C25H29sing1.09Å1.10Å
C28H35sing1.08Å1.08Å
C29H36sing1.08Å1.08Å
C13H14sing1.08Å1.08Å
C17H18sing1.08Å1.08Å
C19H20sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C23H24sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C26H32sing1.09Å1.10Å
C26H30sing1.09Å1.10Å
C26H31sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C5H8sing1.09Å1.10Å
N1H1sing0.97Å1.00Å
N2H9sing0.97Å1.00Å
O3H10sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5N2C8113.4°108.8°
N2C5C4113.9°110.3°
N2C5C6102.7°106.2°
N2C5H8109.1°109.6°
C5N2H9123.3°125.6°
N2C8O2124.2°124.6°
N2C8C7109.3°110.7°
C8N2H9123.3°125.6°
C4C5C6114.6°110.7°
C5C4C3116.9°110.2°
C5C4H7107.6°109.3°
C5C4H6107.6°109.2°
C4C5H8108.2°110.0°
C5C6C7108.0°105.8°
C5C6O4123.0°127.1°
C6C5H8108.1°109.9°
O2C8C7126.5°124.7°
C8C7C6105.9°108.4°
C8C7C9128.5°126.1°
C4C3C2114.2°109.6°
C4C3H5108.3°109.5°
C4C3H4108.3°109.5°
C3C4H7107.5°109.4°
C3C4H6107.6°109.4°
C7C6O4128.9°127.1°
C6C7C9125.4°125.5°
C7C9O3119.7°120.0°
C7C9C10126.0°119.5°
C3C2N1109.4°108.6°
C3C2H2109.5°109.6°
C3C2H3109.5°109.7°
C2C3H5108.3°109.4°
C2C3H4108.3°109.4°
O3C9C10114.2°120.5°
C9O3H10109.5°114.0°
C9C10C11124.2°121.1°
C9C10H11117.9°119.5°
C10C11C12127.1°119.3°
C10C11H12116.4°120.4°
C11C10H11117.9°119.4°
C2N1C1120.7°117.9°
N1C2H2109.5°109.6°
N1C2H3109.5°109.6°
C2N1H1119.7°121.1°
C11C12C13126.3°120.4°
C12C11H12116.4°120.2°
C11C12H13116.8°119.7°
N1C1O1121.9°119.9°
N1C1C14116.2°120.3°
C1N1H1119.7°121.1°
O1C1C14121.8°119.8°
C1C14C15123.3°118.5°
C1C14H15118.4°120.9°
C12C13C19125.2°120.1°
C13C12H13116.9°119.9°
C12C13H14117.4°120.0°
C14C15C16126.4°119.4°
C14C15H16116.8°119.3°
C15C14H15118.4°120.5°
C15C16C17127.5°119.2°
C16C15H16116.8°121.2°
C15C16H17116.3°120.1°
C13C19C18103.1°109.7°
C13C19C20115.3°109.0°
C19C13H14117.4°119.8°
C13C19H20106.0°108.9°
C16C17C18124.6°120.5°
C17C16H17116.2°120.7°
C16C17H18117.7°118.8°
C17C18C19122.5°109.4°
C17C18C29101.9°108.5°
C17C18H19107.1°108.2°
C18C17H18117.7°120.7°
C18C19C20119.6°110.8°
C19C18C29111.0°115.0°
C19C18H19106.5°107.9°
C18C19H20105.5°109.3°
C19C20C27123.8°116.6°
C19C20C21105.1°107.7°
C19C20H21108.5°109.5°
C20C19H20106.3°109.0°
C18C29C28123.2°122.2°
C29C18H19107.0°107.6°
C18C29H36118.4°118.9°
C20C27C25107.5°104.9°
C27C20C21102.6°103.1°
C20C27H33110.0°110.4°
C20C27H34110.0°110.4°
C27C20H21108.0°110.1°
C27C25C26111.9°110.0°
C27C25C22106.9°106.9°
C25C27H33110.0°110.3°
C25C27H34110.0°110.4°
C27C25H29107.0°110.0°
C20C21C28110.1°103.6°
C20C21C22105.0°102.6°
C21C20H21107.8°109.5°
C20C21H22107.3°111.9°
C29C28C21118.7°113.6°
C29C28H35120.6°123.3°
C28C29H36118.4°118.9°
C26C25C22116.0°110.0°
C26C25H29107.3°109.9°
C25C26H32109.5°109.5°
C25C26H30109.5°109.5°
C25C26H31109.4°109.4°
C25C22C21100.0°104.9°
C25C22C23124.2°110.4°
C25C22H23106.5°110.4°
C22C25H29107.3°110.0°
C28C21C22118.9°114.2°
C21C28H35120.6°123.2°
C28C21H22107.9°112.1°
C21C22C23112.2°110.4°
C21C22H23106.1°110.4°
C22C21H22107.1°111.7°
C22C23C24113.9°109.4°
C23C22H23106.5°110.3°
C22C23H24108.4°109.5°
C22C23H25108.3°109.5°
C23C24H28109.5°109.5°
C23C24H26109.4°109.4°
C23C24H27109.4°109.5°
C24C23H24108.4°109.5°
C24C23H25108.4°109.5°
H2C2H3109.5°109.6°
H5C3H4109.5°109.4°
H28C24H26109.5°109.5°
H28C24H27109.5°109.5°
H26C24H27109.5°109.5°
H33C27H34109.4°110.4°
H24C23H25109.5°109.5°
H32C26H30109.4°109.5°
H32C26H31109.5°109.5°
H30C26H31109.5°109.5°
H7C4H6109.5°109.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5N2C8H9180.0°180.0°
N2C5C4C6117.8°117.3°
N2C5C4H8121.5°121.1°
N2C5C6H8115.3°118.5°
C5N2C8O2180.0°178.4°
C5N2C8C70.3°1.5°
N2C5C4C340.7°110.8°
N2C5C6C78.1°2.1°
N2C5C6O4175.1°177.9°
N2C5C4H7161.7°9.5°
N2C5C4H680.4°129.0°
C8N2C5C4129.3°122.2°
C8N2C5C64.8°2.2°
N2C8O2C7179.7°179.9°
N2C8C7C65.6°0.1°
N2C8C7C9179.5°179.4°
C8N2C5H8109.7°116.5°
C4C5C6H8120.7°121.7°
C5C4C3H7121.1°120.2°
C5C4C3H6121.1°120.1°
C4C5C6C7132.1°121.8°
C4C5C6O451.0°58.1°
C5C4C3C2136.2°129.8°
C5C4C3H5103.1°9.7°
C5C4C3H415.5°110.2°
C5C4H7H6116.6°119.5°
C4C5N2H950.7°57.7°
C5C6C7C88.4°1.2°
C6C5C4C377.2°6.5°
C5C6C7O4176.6°179.9°
C5C6C7C9176.4°179.2°
C6C5C4H743.9°126.8°
C6C5C4H6161.8°113.6°
C6C5N2H9175.2°177.7°
O2C8C7C6174.7°179.8°
O2C8C7C90.3°0.7°
O2C8N2H90.0°1.6°
C8C7C6C9175.2°179.5°
C8C7C6O4175.0°178.7°
C8C7C9O310.7°0.3°
C8C7C9C10164.5°179.8°
C7C8N2H9179.8°178.4°
C4C3C2H5120.7°120.1°
C4C3C2H4120.7°120.1°
C4C3C2N167.0°138.9°
C4C3C2H253.0°19.1°
C4C3C2H3173.0°101.4°
C4C3H5H4117.9°119.9°
C3C4H7H6116.6°119.7°
C3C4C5H8162.2°128.2°
C6C7C9O3175.2°179.7°
C6C7C9C109.6°0.3°
C7C6C5H8107.2°116.4°
O4C6C7C90.2°0.8°
O4C6C5H869.6°63.6°
C7C9O3C10175.8°180.0°
C7C9C10C11167.7°173.4°
C7C9C10H1112.3°6.4°
C7C9O3H108.7°180.0°
C3C2N1H2120.0°119.8°
C3C2N1H3120.0°119.9°
C3C2N1C167.6°37.6°
C3C2H2H3120.0°120.5°
C2C3H5H4117.9°119.9°
C2C3C4H715.1°110.0°
C2C3C4H6102.7°9.7°
C3C2N1H1112.4°142.4°
O3C9C10C117.8°6.7°
O3C9C10H11172.2°173.5°
C9C10C11H11180.0°179.8°
C9C10C11C12173.6°179.7°
C9C10C11H126.4°1.7°
C10C9O3H10167.1°0.1°
C10C11C12H12180.0°178.0°
C10C11C12C13164.7°163.1°
C10C11C12H1315.3°16.9°
C2N1C1H1180.0°180.0°
C2N1C1O18.2°13.1°
C2N1C1C14167.4°166.9°
N1C2H2H3120.1°120.3°
N1C2C3H5172.3°18.8°
N1C2C3H453.7°101.1°
C11C12C13H13180.0°179.9°
C11C12C13C19154.8°179.8°
C12C11C10H116.4°0.1°
C11C12C13H1425.2°0.1°
N1C1O1C14175.4°180.0°
N1C1C14C15174.7°170.1°
C1N1C2H2172.4°157.4°
C1N1C2H352.3°82.3°
N1C1C14H155.3°5.1°
O1C1C14C150.9°9.9°
O1C1C14H15179.1°174.9°
O1C1N1H1171.7°167.0°
C1C14C15H15180.0°175.3°
C1C14C15C16176.2°165.1°
C1C14C15H163.8°12.1°
C14C1N1H112.6°13.1°
C12C13C19H14180.0°179.7°
C12C13C19C1847.3°77.1°
C12C13C19C20179.4°161.4°
C13C12C11H1215.3°15.0°
C12C13C19H2063.3°42.5°
C14C15C16H16180.0°177.2°
C14C15C16C17176.1°151.7°
C14C15C16H173.9°29.0°
C15C16C17H17180.0°179.3°
C15C16C17C18175.7°177.7°
C16C15C14H153.8°10.1°
C15C16C17H184.2°3.4°
C13C19C18C1714.0°12.3°
C13C19C18C20129.5°120.5°
C13C19C18H20110.9°119.4°
C13C19C20H20117.1°118.8°
C13C19C18C29134.4°110.1°
C13C19C20C2775.4°82.7°
C13C19C20C21167.7°162.0°
C19C13C12H1325.2°0.2°
C13C19C18H19109.5°129.8°
C13C19C20H2152.6°43.0°
C16C17C18H18180.0°178.9°
C16C17C18C19117.0°130.7°
C16C17C18C29118.4°103.2°
C17C16C15H163.9°25.5°
C16C17C18H196.3°13.4°
C17C18C19C29120.4°122.4°
C17C18C19H19123.5°117.5°
C17C18C19C20115.5°132.7°
C17C18C29H19112.2°116.9°
C17C18C29C28151.8°158.4°
C18C17C16H174.2°3.0°
C17C18C29H3628.2°21.6°
C17C18C19H20125.0°107.1°
C18C19C20H20119.1°120.3°
C19C18C29H19115.8°120.2°
C18C19C20C27160.8°156.4°
C18C19C20C2143.9°41.2°
C19C18C29C2819.9°35.5°
C18C19C20H2171.2°77.8°
C19C18C29H36160.1°144.5°
C18C19C13H14132.7°102.6°
C19C18C17H1863.1°50.4°
C20C19C18C294.9°10.3°
C19C20C27C21118.1°117.8°
C19C20C27H21128.2°125.5°
C19C20C27C25134.3°151.6°
C19C20C21H21115.6°119.0°
C19C20C21C2863.5°74.5°
C19C20C21C22167.4°166.4°
C20C19C18H19121.0°109.8°
C19C20C27H33106.0°89.6°
C19C20C27H3414.5°32.7°
C20C19C13H140.6°18.9°
C19C20C21H2253.7°46.5°
C18C29C28H36180.0°180.0°
C18C29C28C211.0°0.6°
C18C29C28H35179.0°179.4°
C29C18C17H1861.5°75.8°
C29C18C19H20114.6°130.5°
C20C27C25H33119.7°118.9°
C20C27C25H34119.7°118.9°
C27C20C21H21113.8°117.1°
C20C27C25C26117.6°132.0°
C20C27C25C2210.5°12.6°
C27C20C21C28165.9°161.7°
C27C20C21C2236.8°42.5°
C20C27H33H34120.9°122.3°
C20C27C25H29125.2°106.8°
C27C20C19H2041.7°36.1°
C27C20C21H2276.9°77.4°
C25C27C20C2116.1°33.8°
C27C25C26C22123.0°117.4°
C27C25C26H29117.1°121.3°
C27C25C22H29114.5°119.4°
C27C25C22C2132.0°13.9°
C27C25C22C23157.7°132.7°
C25C27H33H34120.9°122.3°
C25C27C20H2197.6°83.0°
C27C25C22H2378.3°105.0°
C27C25C26H32180.0°63.5°
C27C25C26H3060.0°176.5°
C27C25C26H3160.0°56.5°
C20C21C28C2945.3°52.3°
C20C21C22C2542.7°34.4°
C20C21C28C22121.1°110.8°
C20C21C28H22116.8°120.8°
C20C21C22H22113.8°120.0°
C20C21C22C23176.2°153.2°
C21C20C27H33135.9°152.6°
C21C20C27H34103.6°85.1°
C20C21C22H2367.8°84.5°
C20C21C28H35134.7°127.6°
C21C20C19H2075.2°79.2°
C29C28C21H35180.0°180.0°
C29C28C21C22166.4°163.2°
C28C29C18H1996.0°84.7°
C29C28C21H2271.5°68.5°
C26C25C22H29119.9°121.2°
C26C25C22C2193.6°105.5°
C26C25C22C2332.1°13.4°
C26C25C27H33122.7°109.2°
C26C25C27H342.1°13.1°
C26C25C22H23156.1°135.6°
C25C26H32H30120.0°120.0°
C25C26H32H31120.0°119.9°
C25C26H30H31120.0°120.0°
C25C22C21C28166.3°145.8°
C25C22C21C23133.5°118.9°
C25C22C21H23110.5°118.9°
C25C22C23H23124.1°122.2°
C25C22C23C2486.1°174.3°
C22C25C27H33109.2°131.5°
C22C25C27H34130.2°106.2°
C25C22C21H2271.1°85.6°
C25C22C23H2434.6°65.7°
C25C22C23H25153.3°54.4°
C22C25C26H3257.0°53.9°
C22C25C26H30176.9°66.1°
C22C25C26H3163.0°173.9°
C28C21C22H22122.6°128.5°
C28C21C22C2360.2°95.3°
C28C21C20H2152.1°44.6°
C28C21C22H2355.8°27.0°
C21C28C29H36179.0°179.4°
C21C22C23H23115.7°122.3°
C21C22C23C24153.7°70.2°
C22C21C20H2177.1°74.6°
C21C22C25H29146.5°133.3°
C22C21C28H3513.6°16.8°
C21C22C23H2485.7°49.8°
C21C22C23H2533.0°169.8°
C22C23C24H24120.7°120.0°
C22C23C24H25120.6°120.0°
C22C23C24H28180.0°54.3°
C22C23C24H2660.0°174.3°
C22C23C24H2760.0°65.7°
C23C22C25H2987.8°107.8°
C23C22C21H2262.4°33.2°
C22C23H24H25118.0°120.0°
C23C24H28H26120.0°120.0°
C23C24H28H27120.0°120.0°
C23C24H26H27120.0°120.0°
C24C23C22H2337.9°52.1°
C24C23H24H25118.0°120.0°
H2C2C3H567.7°101.0°
H2C2C3H4173.6°139.1°
H2C2N1H17.6°22.6°
H3C2C3H552.3°138.6°
H3C2C3H466.4°18.7°
H3C2N1H1127.6°97.7°
H5C3C4H7135.8°129.9°
H5C3C4H618.0°110.4°
H4C3C4H7105.5°10.0°
H4C3C4H6136.6°129.7°
H12C11C12H13164.7°165.1°
H12C11C10H11173.5°178.1°
H13C12C13H14154.8°179.9°
H16C15C16H17176.2°153.8°
H16C15C14H15176.2°172.6°
H17C16C17H18175.8°175.9°
H19C18C29H3684.0°95.3°
H19C18C17H18173.7°167.7°
H19C18C19H201.5°10.4°
H28C24H26H27120.0°120.0°
H28C24C23H2459.3°174.3°
H28C24C23H2559.4°65.7°
H26C24C23H24179.3°65.7°
H26C24C23H2560.6°54.3°
H27C24C23H2460.7°54.3°
H27C24C23H25179.4°174.3°
H33C27C20H2122.2°35.9°
H33C27C25H295.5°12.1°
H34C27C20H21142.7°158.2°
H34C27C25H29115.1°134.3°
H21C20C19H20169.7°161.8°
H21C20C21H22169.3°165.5°
H23C22C25H2936.3°14.4°
H23C22C21H22178.3°155.5°
H23C22C23H24158.6°172.1°
H23C22C23H2582.7°67.9°
H29C25C26H3262.9°175.2°
H29C25C26H3057.1°55.2°
H29C25C26H31177.1°64.9°
H35C28C29H361.0°0.5°
H35C28C21H22108.5°111.6°
H14C13C19H20116.7°137.8°
H32C26H30H31120.0°120.0°
H7C4C5H876.7°111.6°
H6C4C5H841.1°8.0°
H8C5N2H970.3°63.6°

239149

PDB entries from 2025-07-23

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