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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N2sing1.46Å1.47Å
C1H1C1sing1.09Å1.10Å
C1H1C2sing1.09Å1.10Å
C1H1C3sing1.09Å1.10Å
N2C3sing1.46Å1.46Å
N2C25sing1.46Å1.47Å
C3C4sing1.53Å1.54Å
C3H3C1sing1.10Å1.10Å
C3H3C2sing1.10Å1.10Å
C4C5sing1.53Å1.53Å
C4H4C1sing1.10Å1.10Å
C4H4C2sing1.10Å1.10Å
C5C6sing1.51Å1.52Å
C5H5C1sing1.09Å1.10Å
C5H5C2sing1.10Å1.10Å
C6C7doub1.35Å1.35Å
C6C26sing1.50Å1.49Å
C7C8sing1.50Å1.52Å
C7H7sing1.09Å1.08Å
C8C9sing1.53Å1.52Å
C8H8C1sing1.10Å1.10Å
C8H8C2sing1.10Å1.10Å
C9C10sing1.52Å1.49Å
C9H9C1sing1.10Å1.10Å
C9H9C2sing1.10Å1.10Å
C10C11doub1.35Å1.33Å
C10C27sing1.51Å1.50Å
C11C12sing1.51Å1.50Å
C11H11sing1.09Å1.08Å
C12C13sing1.54Å1.50Å
C12H121sing1.10Å1.10Å
C12H122sing1.10Å1.10Å
C13C14sing1.50Å1.50Å
C13H131sing1.10Å1.10Å
C13H132sing1.10Å1.10Å
C14C15doub1.35Å1.34Å
C14H14sing1.09Å1.08Å
C15C16sing1.52Å1.51Å
C15C28sing1.50Å1.52Å
C16C17sing1.53Å1.50Å
C16H161sing1.10Å1.10Å
C16H162sing1.10Å1.10Å
C17C18sing1.50Å1.52Å
C17H171sing1.09Å1.10Å
C17H172sing1.10Å1.10Å
C18C19doub1.35Å1.34Å
C18H18sing1.09Å1.08Å
C19C20sing1.52Å1.53Å
C19C29sing1.50Å1.50Å
C20C21sing1.53Å1.53Å
C20H201sing1.10Å1.10Å
C20H202sing1.10Å1.10Å
C21C22sing1.50Å1.52Å
C21H211sing1.09Å1.10Å
C21H212sing1.10Å1.10Å
C22C23doub1.35Å1.36Å
C22H22sing1.09Å1.08Å
C23C24sing1.50Å1.51Å
C23C30sing1.51Å1.51Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C24H243sing1.10Å1.10Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25H253sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.10Å1.10Å
C26H263sing1.10Å1.10Å
C27H271sing1.09Å1.10Å
C27H272sing1.10Å1.10Å
C27H273sing1.09Å1.10Å
C28H281sing1.09Å1.10Å
C28H282sing1.10Å1.10Å
C28H283sing1.09Å1.10Å
C29H291sing1.09Å1.10Å
C29H292sing1.10Å1.10Å
C29H293sing1.09Å1.10Å
C30H301sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
C30H303sing1.10Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C1H1C1109.5°110.1°
N2C1H1C2109.5°110.2°
N2C1H1C3109.5°110.2°
C1N2C3107.7°110.6°
C1N2C25113.3°110.2°
H1C1C1H1C2109.4°108.8°
H1C1C1H1C3109.5°108.8°
H1C2C1H1C3109.5°108.7°
C3N2C25112.6°110.6°
N2C3C4111.6°110.4°
N2C3H3C1108.3°109.0°
N2C3H3C2108.8°109.3°
N2C25H251109.4°110.1°
N2C25H252109.5°110.2°
N2C25H253109.5°110.2°
C4C3H3C1108.3°110.1°
C4C3H3C2108.8°110.2°
C3C4C5109.6°111.0°
C3C4H4C1109.4°109.7°
C3C4H4C2109.5°109.6°
H3C1C3H3C2111.2°107.8°
C5C4H4C1109.4°109.8°
C5C4H4C2109.4°109.7°
C4C5C6107.5°112.4°
C4C5H5C1110.5°109.7°
C4C5H5C2110.1°109.8°
H4C1C4H4C2109.5°107.0°
C6C5H5C1110.6°110.4°
C6C5H5C2110.1°109.3°
C5C6C7118.7°124.1°
C5C6C26118.2°115.4°
H5C1C5H5C2108.0°105.0°
C7C6C26123.0°120.5°
C6C7C8124.2°127.1°
C6C7H7117.9°118.4°
C6C26H261109.4°112.4°
C6C26H262109.4°110.5°
C6C26H263109.5°110.3°
C8C7H7117.9°114.5°
C7C8C9106.8°111.4°
C7C8H8C1111.0°111.2°
C7C8H8C2110.4°107.4°
C9C8H8C1111.0°110.3°
C9C8H8C2110.4°110.0°
C8C9C10106.9°117.4°
C8C9H9C1110.9°108.1°
C8C9H9C2110.4°108.7°
H8C1C8H8C2107.4°106.3°
C10C9H9C1110.9°107.6°
C10C9H9C2110.3°107.9°
C9C10C11119.0°123.9°
C9C10C27118.2°113.1°
H9C1C9H9C2107.5°106.6°
C11C10C27122.8°122.9°
C10C11C12121.9°126.1°
C10C11H11119.1°118.9°
C10C27H271109.4°110.3°
C10C27H272109.5°110.0°
C10C27H273109.5°113.5°
C12C11H11119.0°115.0°
C11C12C13110.8°113.7°
C11C12H121108.7°108.3°
C11C12H122109.0°110.3°
C13C12H121108.7°107.9°
C13C12H122109.0°108.6°
C12C13C14109.8°113.4°
C12C13H131109.3°109.0°
C12C13H132109.3°109.8°
H121C12H122110.6°107.8°
C14C13H131109.3°110.9°
C14C13H132109.3°108.2°
C13C14C15123.9°127.9°
C13C14H14118.0°114.1°
H131C13H132109.7°105.1°
C15C14H14118.0°118.0°
C14C15C16117.6°119.8°
C14C15C28121.8°124.6°
C16C15C28120.5°115.6°
C15C16C17113.0°114.2°
C15C16H161107.5°110.4°
C15C16H162108.3°108.7°
C15C28H281109.4°110.6°
C15C28H282109.5°110.0°
C15C28H283109.5°113.4°
C17C16H161107.5°109.0°
C17C16H162108.3°109.0°
C16C17C18110.5°112.5°
C16C17H171108.9°110.0°
C16C17H172109.1°108.3°
H161C16H162112.3°105.2°
C18C17H171108.9°112.7°
C18C17H172109.1°107.4°
C17C18C19123.5°128.3°
C17C18H18118.2°114.0°
H171C17H172110.3°105.5°
C19C18H18118.2°117.7°
C18C19C20122.5°119.9°
C18C19C29121.6°125.2°
C20C19C29115.9°114.9°
C19C20C21113.9°113.8°
C19C20H201107.0°110.3°
C19C20H202108.0°108.6°
C19C29H291109.4°113.8°
C19C29H292109.4°109.9°
C19C29H293109.5°110.5°
C21C20H201107.0°109.8°
C21C20H202108.0°108.7°
C20C21C22109.3°112.4°
C20C21H211109.6°110.9°
C20C21H212109.5°108.3°
H201C20H202113.0°105.3°
C22C21H211109.6°112.3°
C22C21H212109.5°107.2°
C21C22C23123.0°128.1°
C21C22H22118.5°113.9°
H211C21H212109.3°105.3°
C23C22H22118.5°117.9°
C22C23C24122.6°125.3°
C22C23C30120.3°120.3°
C24C23C30117.1°114.4°
C23C24H241109.5°110.0°
C23C24H242109.4°113.6°
C23C24H243109.5°110.1°
C23C30H301109.4°112.5°
C23C30H302109.5°110.2°
C23C30H303109.5°110.2°
H241C24H242109.5°107.0°
H241C24H243109.5°108.3°
H242C24H243109.5°107.6°
H251C25H252109.5°108.8°
H251C25H253109.5°108.8°
H252C25H253109.5°108.7°
H261C26H262109.5°107.5°
H261C26H263109.5°107.5°
H262C26H263109.5°108.5°
H271C27H272109.5°108.2°
H271C27H273109.5°107.6°
H272C27H273109.5°106.9°
H281C28H282109.5°108.3°
H281C28H283109.4°106.7°
H282C28H283109.5°107.7°
H291C29H292109.5°106.9°
H291C29H293109.5°107.3°
H292C29H293109.5°108.2°
H301C30H302109.5°107.6°
H301C30H303109.4°107.6°
H302C30H303109.5°108.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C1H1C1H1C2120.0°120.9°
N2C1H1C1H1C3120.1°120.9°
N2C1H1C2H1C3120.1°120.9°
C1N2C3C25125.7°122.4°
C1N2C3C4157.4°59.0°
C1N2C3H3C138.3°180.0°
C1N2C3H3C282.6°62.4°
C1N2C25H25118.7°177.0°
C1N2C25H252138.7°57.0°
C1N2C25H253101.3°63.0°
H1C1C1H1C2H1C3120.0°118.3°
H1C1C1N2C3115.8°8.4°
H1C1C1N2C259.4°114.3°
H1C2C1N2C34.1°128.4°
H1C2C1N2C25129.3°5.7°
H1C3C1N2C3124.1°111.6°
H1C3C1N2C25110.6°125.7°
N2C3C4H3C1119.1°120.4°
N2C3C4H3C2120.0°120.8°
N2C3H3C1H3C2119.4°118.5°
N2C3C4C5150.8°179.6°
N2C3C4H4C130.8°58.9°
N2C3C4H4C289.2°58.3°
C3N2C25H251141.3°60.3°
C3N2C25H25298.7°179.7°
C3N2C25H25321.3°59.7°
C25N2C3C477.0°178.6°
C25N2C3H3C1163.9°57.6°
C25N2C3H3C243.0°60.1°
N2C25H251H252120.0°120.8°
N2C25H251H253120.0°120.9°
N2C25H252H253120.0°120.9°
C4C3H3C1H3C2119.4°120.3°
C3C4C5H4C1120.0°121.4°
C3C4C5H4C2120.0°121.3°
C3C4H4C1H4C2120.0°118.9°
C3C4C5C656.7°178.6°
C3C4C5H5C1177.4°55.4°
C3C4C5H5C263.3°59.6°
H3C1C3C4C590.1°60.0°
H3C1C3C4H4C1149.9°61.5°
H3C1C3C4H4C229.9°178.7°
H3C2C3C4C530.8°58.8°
H3C2C3C4H4C189.2°179.7°
H3C2C3C4H4C2150.8°62.5°
C5C4H4C1H4C2119.9°118.9°
C4C5C6H5C1120.8°122.8°
C4C5C6H5C2120.0°122.2°
C4C5H5C1H5C2120.5°118.0°
C4C5C6C7103.5°92.8°
C4C5C6C2673.8°88.7°
H4C1C4C5C663.3°60.0°
H4C1C4C5H5C157.5°176.8°
H4C1C4C5H5C2176.7°61.9°
H4C2C4C5C6176.7°57.2°
H4C2C4C5H5C162.5°65.9°
H4C2C4C5H5C256.7°179.1°
C6C5H5C1H5C2120.5°117.7°
C5C6C7C26177.2°178.5°
C5C6C7C8179.3°178.5°
C5C6C7H70.8°0.3°
C5C6C26H261111.0°179.4°
C5C6C26H2629.0°60.6°
C5C6C26H263129.0°59.4°
H5C1C5C6C7135.7°30.0°
H5C1C5C6C2646.9°148.6°
H5C2C5C6C716.5°145.0°
H5C2C5C6C26166.2°33.5°
C6C7C8H7180.0°178.2°
C6C7C8C9140.9°93.4°
C6C7C8H8C198.1°30.1°
C6C7C8H8C220.9°146.0°
C7C6C26H26166.2°0.8°
C7C6C26H262173.8°120.9°
C7C6C26H26353.8°119.2°
C26C6C7C82.0°0.0°
C26C6C7H7178.0°178.2°
C6C26H261H262120.0°121.8°
C6C26H261H263120.0°121.6°
C6C26H262H263120.0°121.0°
C7C8C9H8C1121.1°124.1°
C7C8C9H8C2120.0°119.0°
C7C8H8C1H8C2120.7°116.6°
C7C8C9C1063.0°58.1°
C7C8C9H9C158.0°180.0°
C7C8C9H9C2177.0°64.7°
H7C7C8C939.1°88.3°
H7C7C8H8C182.0°148.1°
H7C7C8H8C2159.1°32.2°
C9C8H8C1H8C2120.7°119.2°
C8C9C10H9C1121.0°122.1°
C8C9C10H9C2120.0°123.2°
C8C9H9C1H9C2120.7°116.8°
C8C9C10C11115.6°117.8°
C8C9C10C2763.5°62.9°
H8C1C8C9C10175.9°177.8°
H8C1C8C9H9C163.1°56.0°
H8C1C8C9H9C255.9°59.4°
H8C2C8C9C1057.0°60.9°
H8C2C8C9H9C1178.0°60.9°
H8C2C8C9H9C263.0°176.3°
C10C9H9C1H9C2120.7°115.5°
C9C10C11C27179.1°179.2°
C9C10C11C12179.3°179.2°
C9C10C11H110.7°0.6°
C9C10C27H2713.3°63.6°
C9C10C27H272116.6°55.7°
C9C10C27H273123.3°175.4°
H9C1C9C10C115.4°120.0°
H9C1C9C10C27175.5°59.3°
H9C2C9C10C11124.4°5.4°
H9C2C9C10C2756.5°173.9°
C10C11C12H11180.0°179.8°
C10C11C12C13142.8°89.9°
C10C11C12H12123.4°30.0°
C10C11C12H12297.2°147.8°
C11C10C27H271177.5°117.0°
C11C10C27H27262.5°123.6°
C11C10C27H27357.6°3.9°
C27C10C11C120.2°0.1°
C27C10C11H11179.8°179.9°
C10C27H271H272120.0°120.4°
C10C27H271H273120.0°124.4°
C10C27H272H273120.0°123.7°
C11C12C13H121119.4°120.2°
C11C12C13H122120.0°123.2°
C11C12H121H122119.7°119.4°
C11C12C13C1476.4°59.9°
C11C12C13H131163.8°176.0°
C11C12C13H13243.6°61.3°
H11C11C12C1337.2°89.9°
H11C11C12H121156.6°150.1°
H11C11C12H12282.8°32.4°
C13C12H121H122119.6°117.1°
C12C13C14H131119.9°123.1°
C12C13C14H132120.0°122.1°
C12C13H131H132119.9°117.7°
C12C13C14C1598.7°93.0°
C12C13C14H1481.3°87.7°
H121C12C13C1443.0°180.0°
H121C12C13H13176.8°55.9°
H121C12C13H132163.0°58.8°
H122C12C13C14163.6°63.3°
H122C12C13H13143.8°60.8°
H122C12C13H13276.4°175.5°
C14C13H131H132119.9°116.8°
C13C14C15H14180.0°179.2°
C13C14C15C16179.1°178.0°
C13C14C15C282.4°1.2°
H131C13C14C15141.4°30.0°
H131C13C14H1438.6°149.2°
H132C13C14C1521.3°144.9°
H132C13C14H14158.7°34.4°
C14C15C16C28176.8°179.3°
C14C15C16C17107.3°123.2°
C14C15C16H161134.3°0.0°
C14C15C16H16212.7°114.9°
C14C15C28H281112.6°123.5°
C14C15C28H282127.4°117.0°
C14C15C28H2837.4°3.7°
H14C14C15C160.9°1.2°
H14C14C15C28177.6°179.6°
C15C16C17H161118.5°123.9°
C15C16C17H162120.0°121.7°
C15C16H161H162119.0°117.1°
C15C16C17C1873.4°63.9°
C15C16C17H17146.1°62.6°
C15C16C17H172166.6°177.5°
C16C15C28H28164.1°57.3°
C16C15C28H28256.0°62.2°
C16C15C28H283176.0°177.1°
C28C15C16C1776.0°57.6°
C28C15C16H16142.5°179.3°
C28C15C16H162164.0°64.4°
C15C28H281H282120.0°120.6°
C15C28H281H283120.0°123.7°
C15C28H282H283120.0°124.0°
C17C16H161H162119.1°116.8°
C16C17C18H171119.6°125.1°
C16C17C18H172120.0°119.1°
C16C17H171H172119.7°116.6°
C16C17C18C19154.8°125.1°
C16C17C18H1825.2°55.7°
H161C16C17C18168.1°60.0°
H161C16C17H17172.3°173.5°
H161C16C17H17248.1°58.6°
H162C16C17C1846.6°174.4°
H162C16C17H171166.1°59.1°
H162C16C17H17273.4°55.8°
C18C17H171H172119.7°117.0°
C17C18C19H18180.0°179.2°
C17C18C19C20179.5°179.7°
C17C18C19C290.2°1.4°
H171C17C18C1985.7°0.0°
H171C17C18H1894.3°179.2°
H172C17C18C1934.8°115.8°
H172C17C18H18145.2°63.4°
C18C19C20C29179.7°178.5°
C18C19C20C213.8°93.9°
C18C19C20H201114.3°30.0°
C18C19C20H202123.8°144.9°
C18C19C29H29188.7°1.2°
C18C19C29H292151.3°121.1°
C18C19C29H29331.3°119.5°
H18C18C19C200.5°1.1°
H18C18C19C29179.8°179.4°
C19C20C21H201118.0°124.2°
C19C20C21H202120.0°121.1°
C19C20H201H202118.8°116.9°
C19C20C21C22178.6°175.8°
C19C20C21H21158.5°57.5°
C19C20C21H21261.4°57.6°
C20C19C29H29191.6°177.2°
C20C19C29H29228.4°57.3°
C20C19C29H293148.4°62.1°
C29C19C20C21176.5°87.6°
C29C19C20H20165.4°148.5°
C29C19C20H20256.5°33.6°
C19C29H291H292120.0°121.6°
C19C29H291H293120.0°122.5°
C19C29H292H293120.0°120.7°
C21C20H201H202118.8°116.9°
C20C21C22H211120.1°125.9°
C20C21C22H212120.0°118.9°
C20C21H211H212120.1°116.9°
C20C21C22C2390.5°95.9°
C20C21C22H2289.5°84.6°
H201C20C21C2263.4°60.0°
H201C20C21H211176.5°66.7°
H201C20C21H21256.6°178.2°
H202C20C21C2258.5°54.7°
H202C20C21H21161.5°178.6°
H202C20C21H212178.6°63.5°
C22C21H211H212120.0°116.4°
C21C22C23H22180.0°179.5°
C21C22C23C240.1°179.9°
C21C22C23C30179.8°0.8°
H211C21C22C23149.4°30.0°
H211C21C22H2230.6°149.5°
H212C21C22C2329.5°145.2°
H212C21C22H22150.5°34.2°
C22C23C24C30179.9°179.2°
C22C23C24H24165.7°122.4°
C22C23C24H242174.3°2.4°
C22C23C24H24354.3°118.3°
C22C23C30H30162.7°0.8°
C22C23C30H302177.3°120.9°
C22C23C30H30357.2°119.2°
H22C22C23C24179.9°0.5°
H22C22C23C300.2°178.6°
C23C24H241H242120.0°123.9°
C23C24H241H243120.0°120.4°
C23C24H242H243120.0°122.1°
C24C23C30H301117.4°179.9°
C24C23C30H3022.6°59.8°
C24C23C30H303122.7°60.0°
C30C23C24H241114.2°56.8°
C30C23C24H2425.8°176.8°
C30C23C24H243125.8°62.5°
C23C30H301H302120.0°121.6°
C23C30H301H303120.0°121.6°
C23C30H302H303120.0°120.8°
H241C24H242H243120.0°116.2°
H251C25H252H253120.0°118.4°
H261C26H262H263120.0°116.0°
H271C27H272H273120.0°115.7°
H281C28H282H283120.0°115.0°
H291C29H292H293120.0°115.3°
H301C30H302H303120.0°116.2°

223790

PDB entries from 2024-08-14

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