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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OC24doub1.22Å1.22Å
C20C19doub1.38Å1.37ÅAromatic
C20C21sing1.39Å1.39ÅAromatic
C19N4sing1.32Å1.34ÅAromatic
C24C21sing1.47Å1.45Å
C24N6sing1.35Å1.33Å
C21C22doub1.41Å1.40ÅAromatic
N4C18doub1.32Å1.33ÅAromatic
N6C23sing1.36Å1.34Å
C22C18sing1.40Å1.41ÅAromatic
C22N5sing1.35Å1.37Å
C18N2sing1.40Å1.41Å
C23N5doub1.30Å1.30Å
N2N3sing1.40Å1.36ÅAromatic
N2C16sing1.36Å1.35ÅAromatic
N3C17doub1.31Å1.32ÅAromatic
C16C15doub1.35Å1.36ÅAromatic
C17C15sing1.40Å1.40ÅAromatic
C15C14sing1.51Å1.51Å
C14C13sing1.53Å1.52Å
C13N1sing1.47Å1.46Å
N1C12sing1.47Å1.46Å
N1C25sing1.47Å1.46Å
C12C11sing1.53Å1.52Å
C25C26sing1.53Å1.53Å
C11C10sing1.53Å1.53Å
C26C10sing1.53Å1.53Å
N6H1sing0.97Å1.00Å
C11H4sing1.09Å1.10Å
C11H5sing1.09Å1.10Å
C12H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
C16H10sing1.08Å1.08Å
C20H11sing1.08Å1.08Å
C23H12sing1.08Å1.08Å
C25H13sing1.09Å1.10Å
C25H14sing1.09Å1.10Å
C19H15sing1.08Å1.08Å
C17H16sing1.08Å1.08Å
C13H17sing1.09Å1.10Å
C13H18sing1.09Å1.10Å
C26H20sing1.09Å1.10Å
C26H21sing1.09Å1.10Å
C10C1sing1.54Å47.86Å
C10C2sing1.51Å47.86Å
C1C5sing1.54Å0.00Å
C2C4sing1.38Å0.00ÅAromatic
C4C5sing1.51Å0.00Å
C2C3doub1.39Å0.00ÅAromatic
C4C6doub1.38Å0.00ÅAromatic
C3C9sing1.38Å0.00ÅAromatic
C6C8sing1.38Å0.00ÅAromatic
C8C9doub1.38Å0.00ÅAromatic
C1H2sing1.09Å0.00Å
C1H3sing1.09Å0.00Å
C5H19sing1.09Å0.00Å
C5H22sing1.09Å0.00Å
C3H23sing1.08Å0.00Å
C6H24sing1.08Å0.00Å
C8H25sing1.08Å0.00Å
C9H26sing1.08Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OC24C21123.5°121.4°
OC24N6121.6°121.4°
C19C20C21117.2°118.5°
C20C19N4124.0°121.5°
C19C20H11121.4°120.8°
C20C19H15118.0°119.3°
C20C21C24120.2°122.9°
C20C21C22121.5°118.9°
C21C20H11121.4°120.7°
C19N4C18117.7°122.7°
N4C19H15118.0°119.2°
C21C24N6114.9°117.2°
C24C21C22118.3°118.2°
C24N6C23123.3°120.6°
C24N6H1118.4°119.7°
C21C22C18115.1°118.5°
C21C22N5122.1°119.0°
N4C18C22124.4°119.9°
N4C18N2114.0°120.0°
N6C23N5125.2°123.5°
C23N6H1118.4°119.7°
N6C23H12117.4°118.3°
C18C22N5122.9°122.5°
C22C18N2121.0°120.0°
C22N5C23116.2°121.5°
C18N2N3119.7°126.1°
C18N2C16128.3°126.1°
N5C23H12117.4°118.3°
N3N2C16111.9°107.8°
N2N3C17104.1°108.2°
N2C16C15107.4°107.6°
N2C16H10126.3°126.2°
N3C17C15112.4°108.4°
N3C17H16123.8°125.8°
C16C15C17104.3°108.0°
C16C15C14127.1°126.0°
C15C16H10126.3°126.2°
C17C15C14128.6°126.0°
C15C17H16123.8°125.9°
C15C14C13113.1°109.5°
C15C14H8108.6°109.4°
C15C14H9108.6°109.4°
C14C13N1112.7°109.4°
C13C14H8108.6°109.5°
C13C14H9108.6°109.5°
C14C13H17108.7°109.5°
C14C13H18108.7°109.5°
C13N1C12111.8°111.0°
C13N1C25111.8°111.0°
N1C13H17108.7°109.5°
N1C13H18108.7°109.5°
C12N1C25108.8°111.2°
N1C12C11110.9°109.5°
N1C12H6109.1°109.5°
N1C12H7109.1°109.5°
N1C25C26110.9°109.5°
N1C25H13109.1°109.5°
N1C25H14109.1°109.5°
C12C11C10111.0°109.3°
C12C11H4109.1°109.5°
C12C11H5109.1°109.5°
C11C12H6109.1°109.4°
C11C12H7109.1°109.5°
C25C26C10110.9°109.3°
C26C25H13109.1°109.5°
C26C25H14109.1°109.4°
C25C26H20109.1°109.5°
C25C26H21109.1°109.6°
C11C10C26109.3°110.3°
C10C11H4109.1°109.5°
C10C11H5109.1°109.5°
C11C10C1150.0°110.0°
C11C10C2150.0°110.4°
C10C26H20109.1°109.4°
C10C26H21109.1°109.5°
C26C10C175.9°110.0°
C26C10C275.9°110.4°
H4C11H5109.5°109.6°
H6C12H7109.5°109.4°
H8C14H9109.4°109.4°
H13C25H14109.5°109.5°
H17C13H18109.5°109.5°
H20C26H21109.5°109.5°
C1C10C2NaN°105.6°
C10C1C590.0°102.3°
C10C1H290.0°110.8°
C10C1H390.0°110.9°
C10C2C490.0°109.6°
C10C2C390.0°130.6°
C1C5C490.0°105.2°
C5C1H290.0°110.8°
C5C1H390.0°110.9°
C1C5H1990.0°110.3°
C1C5H2290.0°110.3°
C2C4C590.0°109.7°
C4C2C390.0°119.8°
C2C4C690.0°119.9°
C5C4C690.0°130.4°
C4C5H1990.0°110.3°
C4C5H2290.0°110.3°
C2C3C990.0°120.3°
C2C3H2390.0°119.8°
C4C6C890.0°120.2°
C4C6H2490.0°119.8°
C3C9C890.0°120.0°
C9C3H2390.0°119.9°
C3C9H2690.0°120.1°
C6C8C990.0°119.9°
C8C6H2490.0°119.9°
C6C8H2590.0°120.1°
C9C8H2590.0°120.1°
C8C9H2690.0°120.0°
H2C1H390.0°110.9°
H19C5H2290.0°110.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OC24C21C206.1°0.4°
OC24C21N6177.7°179.9°
OC24C21C22175.8°179.5°
OC24N6C23176.8°179.9°
OC24N6H13.2°0.3°
C19C20C21H11180.0°180.0°
C20C19N4H15180.0°180.0°
C19C20C21C24176.5°179.1°
C19C20C21C221.6°0.1°
C20C19N4C181.3°0.0°
C21C20C19N41.9°0.0°
C20C21C24C22178.2°179.1°
C20C21C24N6176.2°179.6°
C20C21C22C181.5°0.1°
C20C21C22N5176.5°179.9°
C21C20C19H15178.1°180.0°
C19N4C18C224.9°0.0°
C19N4C18N2165.9°179.9°
N4C19C20H11178.2°180.0°
C21C24N6C230.9°0.0°
C24C21C22C18179.6°179.2°
C24C21C22N51.6°0.8°
C21C24N6H1179.1°179.7°
C24C21C20H113.5°0.9°
N6C24C21C221.9°0.5°
C24N6C23H1180.0°179.7°
C24N6C23N50.6°0.3°
C24N6C23H12179.4°179.8°
C21C22C18N44.9°0.1°
C21C22C18N5178.0°180.0°
C21C22C18N2165.2°180.0°
C21C22N5C230.2°0.5°
C22C21C20H11178.4°179.9°
N4C18C22N2170.2°179.9°
N4C18C22N5173.0°179.9°
N4C18N2N30.1°155.0°
N4C18N2C16175.6°25.1°
C18N4C19H15178.7°180.0°
N6C23N5C221.0°0.1°
N6C23N5H12180.0°179.9°
C18C22N5C23178.0°179.5°
C22C18N2N3171.1°24.9°
C22C18N2C164.4°155.0°
N5C22C18N216.8°0.0°
C22N5C23H12179.0°180.0°
C18N2N3C16176.2°179.9°
C18N2N3C17175.6°179.7°
C18N2C16C15175.3°180.0°
C18N2C16H104.7°0.2°
N5C23N6H1179.4°180.0°
N3N2C16C150.4°0.1°
N2N3C17C150.6°0.4°
N3N2C16H10179.5°179.9°
N2N3C17H16179.4°180.0°
C16N2N3C170.6°0.2°
N2C16C15H10180.0°179.9°
N2C16C15C170.1°0.3°
N2C16C15C14179.2°180.0°
N3C17C15C160.3°0.4°
N3C17C15H16180.0°179.7°
N3C17C15C14178.8°179.9°
C16C15C17C14179.1°179.7°
C16C15C14C1388.9°90.0°
C16C15C14H8150.6°149.9°
C16C15C14H931.7°30.0°
C16C15C17H16179.7°179.9°
C17C15C14C1392.2°90.3°
C17C15C14H828.3°29.8°
C17C15C14H9147.2°149.7°
C17C15C16H10179.9°179.9°
C15C14C13H8120.6°120.0°
C15C14C13H9120.5°120.0°
C15C14C13N1171.5°179.9°
C15C14H8H9118.4°119.9°
C14C15C16H100.8°0.1°
C14C15C17H161.2°0.2°
C15C14C13H1768.0°60.0°
C15C14C13H1851.0°60.0°
C14C13N1H17120.5°120.0°
C14C13N1H18120.5°120.0°
C14C13N1C1274.9°170.0°
C14C13N1C25162.9°65.8°
C13C14H8H9118.4°120.1°
C14C13H17H18118.5°120.0°
C13N1C12C25123.9°124.1°
C13N1C12C11173.6°173.7°
C13N1C25C26173.6°173.7°
C13N1C12H653.4°66.3°
C13N1C12H766.2°53.7°
N1C13C14H850.9°60.1°
N1C13C14H968.0°60.0°
C13N1C25H1366.2°66.3°
C13N1C25H1453.4°53.8°
N1C13H17H18118.5°120.1°
N1C12C11H6120.2°120.0°
N1C12C11H7120.2°120.1°
C12N1C25C2662.5°62.2°
N1C12C11C1058.4°58.4°
N1C12C11H461.8°178.3°
N1C12C11H5178.7°61.6°
N1C12H6H7119.3°120.0°
C12N1C25H1357.7°57.8°
C12N1C25H14177.3°177.9°
C12N1C13H1745.6°50.0°
C12N1C13H18164.7°70.0°
C25N1C12C1162.5°62.2°
N1C25C26H13120.2°120.0°
N1C25C26H14120.2°120.0°
N1C25C26C1058.4°58.4°
C25N1C12H6177.3°57.8°
C25N1C12H757.7°177.8°
N1C25H13H14119.4°120.0°
C25N1C13H1776.6°174.3°
C25N1C13H1842.4°54.2°
N1C25C26H20178.6°61.5°
N1C25C26H2161.8°178.4°
C12C11C10H4120.2°119.9°
C12C11C10H5120.2°119.9°
C12C11C10C2652.4°56.4°
C12C11H4H5119.3°120.0°
C11C12H6H7119.3°120.0°
C12C11C10C1147.5°177.9°
C12C11C10C2147.5°65.9°
C25C26C10C1152.4°56.4°
C25C26C10H20120.2°119.9°
C25C26C10H21120.2°120.0°
C26C25H13H14119.4°120.0°
C25C26H20H21119.4°120.1°
C25C26C10C1158.6°177.9°
C25C26C10C2158.6°65.9°
C11C10C26C1149.1°121.5°
C11C10C26C2149.1°122.3°
C10C11H4H5119.3°120.1°
C10C11C12H6178.6°61.6°
C10C11C12H761.8°178.5°
C11C10C26H20172.5°63.5°
C11C10C26H2167.9°176.4°
C11C10C1C290.0°119.1°
C11C10C1C590.0°93.1°
C11C10C2C490.0°101.8°
C11C10C2C390.0°78.2°
C11C10C1H290.0°148.8°
C11C10C1H390.0°25.2°
C26C10C11H467.8°176.3°
C26C10C11H5172.6°63.5°
C10C26C25H1361.8°61.7°
C10C26C25H14178.6°178.4°
C10C26H20H21119.3°120.0°
C26C10C1C290.0°119.2°
C26C10C1C590.0°145.2°
C26C10C2C490.0°135.9°
C26C10C2C390.0°44.0°
C26C10C1H290.0°27.0°
C26C10C1H390.0°96.5°
H1N6C23H120.6°0.1°
H4C11C12H658.4°58.3°
H4C11C12H7178.0°61.6°
H4C11C10C127.3°62.1°
H4C11C10C227.3°54.0°
H5C11C12H661.1°178.4°
H5C11C12H758.5°58.5°
H5C11C10C192.2°58.0°
H5C11C10C292.2°174.2°
H8C14C13H17171.4°180.0°
H8C14C13H1869.5°60.0°
H9C14C13H1752.5°60.0°
H9C14C13H18171.6°180.0°
H11C20C19H151.8°0.0°
H13C25C26H2058.4°178.4°
H13C25C26H21178.0°58.3°
H14C25C26H2061.2°58.5°
H14C25C26H2158.4°61.6°
H20C26C10C138.4°58.0°
H20C26C10C238.4°174.2°
H21C26C10C181.2°62.1°
H21C26C10C281.2°54.1°
C10C1C5H290.0°118.2°
C10C1C5H390.0°118.2°
C1C10C2C490.0°17.0°
C10C1C5C490.0°25.9°
C1C10C2C390.0°162.9°
C10C1H2H390.0°123.6°
C10C1C5H1990.0°144.9°
C10C1C5H2290.0°93.0°
C2C10C1C590.0°26.0°
C10C2C4C390.0°179.9°
C10C2C4C590.0°0.1°
C10C2C4C690.0°180.0°
C10C2C3C990.0°179.9°
C2C10C1H290.0°92.1°
C2C10C1H390.0°144.3°
C10C2C3H2390.0°0.0°
C1C5C4C290.0°17.0°
C1C5C4H1990.0°119.0°
C1C5C4H2290.0°118.9°
C1C5C4C690.0°163.1°
C5C1H2H390.0°123.6°
C1C5H19H2290.0°122.1°
C2C4C5C690.0°180.0°
C4C2C3C990.0°0.2°
C2C4C6C890.0°0.1°
C2C4C5H1990.0°135.9°
C2C4C5H2290.0°101.9°
C4C2C3H2390.0°180.0°
C2C4C6H2490.0°180.0°
C5C4C2C390.0°180.0°
C5C4C6C890.0°179.9°
C4C5C1H290.0°92.2°
C4C5C1H390.0°144.2°
C4C5H19H2290.0°122.1°
C5C4C6H2490.0°0.0°
C3C2C4C690.0°0.1°
C2C3C9H2390.0°179.9°
C2C3C9C890.0°0.3°
C2C3C9H2690.0°180.0°
C4C6C8H2490.0°179.9°
C4C6C8C990.0°0.3°
C6C4C5H1990.0°44.1°
C6C4C5H2290.0°78.0°
C4C6C8H2590.0°180.0°
C3C9C8C690.0°0.4°
C3C9C8H2690.0°179.7°
C3C9C8H2590.0°179.9°
C6C8C9H2590.0°179.7°
C6C8C9H2690.0°179.9°
C8C9C3H2390.0°179.8°
C9C8C6H2490.0°179.8°
H2C1C5H1990.0°26.7°
H2C1C5H2290.0°148.9°
H3C1C5H1990.0°96.9°
H3C1C5H2290.0°25.3°
H23C3C9H2690.0°0.1°
H24C6C8H2590.0°0.1°
H25C8C9H2690.0°0.2°

222624

PDB entries from 2024-07-17

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