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2O4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C9N1sing1.46Å1.46Å
C9C10sing1.53Å1.53Å
N1C8sing1.35Å1.34Å
O1C8doub1.22Å1.24Å
C8C7sing1.47Å1.48Å
C7C6doub1.40Å1.40ÅAromatic
C7C22sing1.40Å1.40ÅAromatic
C1Csing1.53Å1.52Å
C1N3sing1.47Å1.46Å
C1C2sing1.51Å1.51Å
C6C5sing1.38Å1.39ÅAromatic
C10C11sing1.53Å1.58Å
C22N3sing1.39Å1.39Å
C22C3doub1.40Å1.42ÅAromatic
C5C4doub1.39Å1.41ÅAromatic
C11N2sing1.47Å1.43Å
C3C4sing1.38Å1.38ÅAromatic
C3Nsing1.40Å1.44Å
C2Nsing1.35Å1.36Å
C2O2doub1.21Å1.23Å
C12N2sing1.46Å1.47Å
C12C13sing1.53Å1.51Å
N2C20sing1.39Å1.38Å
C13C14sing1.53Å1.51Å
C20C19doub1.39Å1.36ÅAromatic
C20C15sing1.38Å1.42ÅAromatic
C19C18sing1.38Å1.41ÅAromatic
C21Osing1.43Å1.38Å
C14C15sing1.51Å1.47Å
C15C16doub1.39Å1.36ÅAromatic
C18Osing1.36Å1.33Å
C18C17doub1.39Å1.36ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C4H1sing1.08Å1.08Å
C14H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C5H4sing1.08Å1.08Å
C6H5sing1.08Å1.08Å
C11H6sing1.09Å1.10Å
C11H7sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
N1H16sing0.97Å1.00Å
N3H17sing1.01Å1.00Å
NH18sing0.97Å1.00Å
C1H19sing1.09Å1.10Å
CH20sing1.09Å1.10Å
CH21sing1.09Å1.10Å
CH22sing1.09Å1.10Å
C19H23sing1.08Å1.08Å
C21H24sing1.09Å1.10Å
C21H25sing1.09Å1.10Å
C21H26sing1.09Å1.10Å
C17H27sing1.08Å1.08Å
C16H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C9C10111.5°109.5°
C9N1C8121.7°120.0°
N1C9H8108.9°109.5°
N1C9H9109.0°109.5°
C9N1H16119.2°120.0°
C9C10C11109.7°109.5°
C10C9H8109.0°109.5°
C10C9H9108.9°109.4°
C9C10H10109.4°109.5°
C9C10H11109.4°109.5°
N1C8O1118.7°120.0°
N1C8C7117.5°120.0°
C8N1H16119.1°120.0°
O1C8C7123.8°120.0°
C8C7C6122.8°120.2°
C8C7C22119.1°120.2°
C6C7C22118.1°119.6°
C7C6C5122.7°120.1°
C7C6H5118.7°119.9°
C7C22N3123.2°120.2°
C7C22C3118.9°119.4°
CC1N3110.1°109.3°
CC1C2110.8°110.0°
CC1H19108.2°109.4°
C1CH20109.5°109.5°
C1CH21109.5°109.5°
C1CH22109.5°109.5°
N3C1C2110.3°109.7°
C1N3C22117.6°112.0°
C1N3H17107.4°111.0°
N3C1H19109.0°109.4°
C1C2N116.9°119.4°
C1C2O2122.8°120.4°
C2C1H19108.4°109.1°
C6C5C4119.5°120.4°
C6C5H4120.2°119.8°
C5C6H5118.6°120.0°
C10C11N2109.3°109.5°
C10C11H6109.5°109.4°
C10C11H7109.5°109.5°
C11C10H10109.4°109.5°
C11C10H11109.4°109.4°
N3C22C3117.8°120.4°
C22N3H17107.4°111.0°
C22C3C4123.1°120.2°
C22C3N117.1°119.4°
C5C4C3117.7°120.2°
C5C4H1121.1°119.9°
C4C5H4120.3°119.8°
C11N2C12114.8°111.0°
C11N2C20122.5°111.0°
N2C11H6109.5°109.4°
N2C11H7109.5°109.5°
C4C3N119.7°120.4°
C3C4H1121.2°119.8°
C3NC2123.0°118.5°
C3NH18118.5°120.7°
NC2O2120.2°120.3°
C2NH18118.5°120.8°
N2C12C13111.7°108.6°
C12N2C20120.9°113.2°
N2C12H12108.9°109.6°
N2C12H13108.9°109.6°
C12C13C14107.0°107.9°
C13C12H12108.9°109.6°
C13C12H13108.9°109.6°
C12C13H14110.1°109.8°
C12C13H15110.1°109.8°
N2C20C19121.3°117.6°
N2C20C15119.3°122.9°
C13C14C15113.7°109.7°
C13C14H2108.4°109.4°
C13C14H3108.4°109.4°
C14C13H14110.1°109.7°
C14C13H15110.1°109.8°
C19C20C15119.3°119.5°
C20C19C18120.5°120.3°
C20C19H23119.8°119.9°
C20C15C14120.3°122.0°
C20C15C16119.0°119.9°
C19C18O124.4°120.1°
C19C18C17120.0°119.9°
C18C19H23119.8°119.8°
C21OC18119.5°117.0°
OC21H24109.5°109.5°
OC21H25109.5°109.5°
OC21H26109.4°109.5°
C14C15C16120.7°118.1°
C15C14H2108.4°109.4°
C15C14H3108.4°109.4°
C15C16C17121.8°120.6°
C15C16H28119.1°119.7°
OC18C17115.6°120.0°
C18C17C16119.5°119.8°
C18C17H27120.3°120.1°
C16C17H27120.3°120.1°
C17C16H28119.1°119.7°
H2C14H3109.5°109.5°
H6C11H7109.4°109.5°
H8C9H9109.5°109.4°
H10C10H11109.5°109.5°
H12C12H13109.5°109.8°
H14C13H15109.5°109.8°
H20CH21109.5°109.4°
H20CH22109.5°109.5°
H21CH22109.5°109.4°
H24C21H25109.5°109.5°
H24C21H26109.5°109.4°
H25C21H26109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C9C10H8120.3°120.1°
N1C9C10H9120.3°120.0°
C9N1C8H16180.0°180.0°
C9N1C8O10.1°0.0°
C9N1C8C7179.4°179.9°
N1C9C10C1174.9°180.0°
N1C9H8H9119.1°120.0°
N1C9C10H10165.1°60.0°
N1C9C10H1145.2°60.0°
C10C9N1C887.8°180.0°
C9C10C11H10120.0°120.0°
C9C10C11H11120.0°120.0°
C9C10C11N2170.6°175.3°
C9C10C11H650.6°55.3°
C9C10C11H769.4°64.7°
C10C9H8H9119.1°119.9°
C9C10H10H11119.9°120.0°
C10C9N1H1692.1°0.0°
N1C8O1C7179.3°179.9°
N1C8C7C60.9°0.1°
N1C8C7C22178.5°180.0°
C8N1C9H8151.9°59.9°
C8N1C9H932.4°60.0°
O1C8C7C6178.5°180.0°
O1C8C7C222.2°0.1°
O1C8N1H16179.9°180.0°
C8C7C6C22179.3°179.9°
C8C7C6C5179.9°180.0°
C8C7C22N33.1°0.1°
C8C7C22C3179.6°179.8°
C8C7C6H50.1°0.1°
C7C8N1H160.6°0.0°
C7C6C5H5180.0°179.9°
C6C7C22N3177.5°179.8°
C6C7C22C31.1°0.1°
C7C6C5C40.8°0.0°
C7C6C5H4179.2°180.0°
C7C22N3C1150.4°144.3°
C22C7C6C50.7°0.1°
C7C22N3C3176.5°179.7°
C7C22C3C40.1°0.4°
C7C22C3N176.0°180.0°
C22C7C6H5179.3°180.0°
C7C22N3H1729.3°91.1°
CC1N3C2122.6°120.6°
CC1N3H19118.6°119.8°
CC1C2H19118.6°120.0°
CC1N3C22171.1°69.5°
CC1C2N153.8°84.6°
CC1C2O227.9°94.7°
CC1N3H1767.7°165.9°
C1CH20H21120.0°120.0°
C1CH20H22120.0°120.0°
C1CH21H22120.0°120.0°
N3C1C2H19119.2°119.8°
C1N3C22H17121.2°124.6°
C1N3C22C333.1°36.0°
N3C1C2N31.6°35.6°
N3C1C2O2150.1°145.1°
N3C1CH20180.0°60.0°
N3C1CH2160.0°180.0°
N3C1CH2260.0°60.0°
C2C1N3C2248.5°51.1°
C1C2NC30.5°1.5°
C1C2NO2178.4°179.3°
C2C1N3H17169.7°73.5°
C1C2NH18179.4°178.5°
C2C1CH2057.7°179.5°
C2C1CH2162.3°59.6°
C2C1CH22177.7°60.4°
C6C5C4H4180.0°180.0°
C6C5C4C31.9°0.3°
C6C5C4H1178.1°180.0°
C10C11N2H6120.0°119.9°
C10C11N2H7120.0°120.0°
C10C11N2C1284.1°64.0°
C10C11N2C2080.9°169.3°
C10C11H6H7120.1°120.0°
C11C10C9H845.4°59.9°
C11C10C9H9164.8°60.0°
C11C10H10H11119.9°120.0°
N3C22C3C4176.5°179.9°
N3C22C3N0.6°0.4°
C22N3C1H1970.3°170.7°
C22C3C4C51.6°0.4°
C22C3C4N175.8°179.6°
C22C3NC217.1°17.8°
C22C3C4H1178.4°179.8°
C3C22N3H17154.2°88.6°
C22C3NH18162.9°162.2°
C5C4C3H1180.0°179.7°
C5C4C3N177.4°180.0°
C4C5C6H5179.2°179.9°
C11N2C12C20165.3°125.6°
C11N2C12C13159.8°178.9°
C11N2C20C198.2°34.5°
C11N2C20C15167.0°145.6°
N2C11H6H7120.1°120.0°
N2C11C10H1069.4°55.3°
N2C11C10H1150.5°64.7°
C11N2C12H1239.5°59.2°
C11N2C12H1379.8°61.4°
C4C3NC2166.8°161.8°
C3C4C5H4178.1°179.7°
C4C3NH1813.2°18.2°
C3NC2H18180.0°180.0°
C3NC2O2178.9°179.2°
NC3C4H12.6°0.2°
NC2C1H1987.6°155.4°
O2C2NH181.1°0.8°
O2C2C1H1990.7°25.3°
N2C12C13H12120.4°119.8°
N2C12C13H13120.3°119.7°
N2C12C13C1457.4°68.3°
C12N2C20C19172.4°160.1°
C12N2C20C152.8°20.0°
C12N2C11H6155.9°56.0°
C12N2C11H735.9°176.0°
N2C12H12H13119.0°120.4°
N2C12C13H1462.2°172.1°
N2C12C13H15177.0°51.3°
C13C12N2C2034.8°53.4°
C12C13C14H14119.6°119.6°
C12C13C14H15119.6°119.6°
C12C13C14C1551.9°47.3°
C12C13C14H2172.5°167.3°
C12C13C14H368.7°72.8°
C13C12H12H13119.0°120.4°
C12C13H14H15121.1°120.8°
N2C20C19C15175.2°179.9°
N2C20C19C18175.3°179.8°
N2C20C15C143.5°0.5°
N2C20C15C16174.7°179.6°
C20N2C11H639.0°70.8°
C20N2C11H7159.1°49.2°
C20N2C12H12155.2°66.4°
C20N2C12H1385.5°173.1°
N2C20C19H234.7°0.3°
C13C14C15C2022.9°15.5°
C13C14C15H2120.6°120.0°
C13C14C15H3120.6°120.1°
C13C14C15C16159.0°164.6°
C13C14H2H3118.1°119.9°
C14C13C12H12177.7°51.5°
C14C13C12H1362.9°172.0°
C14C13H14H15121.1°120.8°
C20C19C18H23180.0°179.9°
C19C20C15C14178.8°179.6°
C19C20C15C160.6°0.3°
C20C19C18O176.1°180.0°
C20C19C18C171.2°0.1°
C15C20C19C180.1°0.1°
C20C15C14C16178.1°179.9°
C20C15C16C170.2°0.3°
C20C15C14H2143.5°135.5°
C20C15C14H397.7°104.6°
C15C20C19H23179.9°179.8°
C20C15C16H28179.8°179.8°
C19C18OC210.5°180.0°
C19C18OC17177.5°179.9°
C19C18C17C161.6°0.1°
C19C18C17H27178.4°179.9°
C21OC18C17177.0°0.1°
OC21H24H25120.0°120.1°
OC21H24H26120.0°120.0°
OC21H25H26120.0°120.0°
C14C15C16C17178.4°179.7°
C15C14H2H3118.1°119.9°
C15C14C13H1467.7°166.9°
C15C14C13H15171.5°72.3°
C14C15C16H281.6°0.3°
C15C16C17C180.9°0.0°
C15C16C17H28180.0°179.9°
C16C15C14H238.4°44.6°
C16C15C14H380.4°75.3°
C15C16C17H27179.1°180.0°
OC18C17C16176.0°180.0°
OC18C19H233.9°0.1°
C18OC21H24180.0°59.9°
C18OC21H2560.0°180.0°
C18OC21H2660.0°60.1°
OC18C17H274.0°0.0°
C18C17C16H27180.0°180.0°
C17C18C19H23178.8°180.0°
C18C17C16H28179.1°179.9°
H1C4C5H41.9°0.0°
H2C14C13H1452.9°73.1°
H2C14C13H1567.9°47.7°
H3C14C13H14171.7°46.9°
H3C14C13H1550.9°167.6°
H4C5C6H50.8°0.1°
H6C11C10H10170.6°64.7°
H6C11C10H1169.5°175.3°
H7C11C10H1050.6°175.3°
H7C11C10H11170.5°55.3°
H8C9C10H1074.6°180.0°
H8C9C10H11165.5°60.0°
H8C9N1H1628.1°120.0°
H9C9C10H1044.8°60.0°
H9C9C10H1175.1°180.0°
H9C9N1H16147.6°120.0°
H12C12C13H1458.1°68.1°
H12C12C13H1562.6°171.0°
H13C12C13H14177.5°52.4°
H13C12C13H1556.7°68.4°
H17N3C1H1950.8°46.1°
H19C1CH2061.0°59.7°
H19C1CH21179.0°60.2°
H19C1CH2259.0°179.8°
H20CH21H22120.0°120.0°
H24C21H25H26120.0°119.9°
H27C17C16H280.9°0.0°

222415

PDB entries from 2024-07-10

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