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SPH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1sing1.43Å1.45Å
C1C2sing1.53Å1.52Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.11Å
O1HO1sing0.97Å0.95Å
C2N2sing1.47Å1.46Å
C2C3sing1.53Å1.57Å
C2H2sing1.09Å1.11Å
N2HN21sing1.01Å1.02Å
N2HN22sing1.01Å1.02Å
C3O3sing1.43Å1.42Å
C3C4sing1.51Å1.50Å
C3H3sing1.09Å1.11Å
O3HO3sing0.97Å0.95Å
C4C5doub1.31Å1.36Å
C4H4sing1.08Å1.10Å
C5C6sing1.51Å1.49Å
C5H5sing1.08Å1.10Å
C6C7sing1.53Å1.50Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.12Å
C7C8sing1.53Å1.52Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.11Å
C8C9sing1.53Å1.52Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.12Å
C9C10sing1.53Å1.50Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.11Å
C10C11sing1.53Å1.51Å
C10H101sing1.09Å1.12Å
C10H102sing1.09Å1.12Å
C11C12sing1.53Å1.52Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.11Å
C12C13sing1.53Å1.52Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
C13C14sing1.53Å1.52Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.11Å
C14C15sing1.53Å1.52Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.12Å
C15C16sing1.53Å1.53Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.11Å
C16C17sing1.53Å1.53Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.12Å
C17C18sing1.53Å1.55Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.11Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.11Å
C18H183sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2115.4°109.5°
O1C1H11110.1°109.5°
O1C1H12110.1°109.5°
C1O1HO1115.4°106.8°
C2C1H11110.0°109.5°
C2C1H12110.0°109.5°
C1C2N2107.9°109.5°
C1C2C3105.5°109.5°
C1C2H2115.7°109.4°
H11C1H12100.2°109.5°
N2C2C3116.4°109.5°
N2C2H2104.8°109.5°
C2N2HN21107.8°106.7°
C2N2HN22112.7°106.7°
C3C2H2107.0°109.5°
C2C3O3106.3°109.5°
C2C3C4119.5°109.5°
C2C3H3102.8°109.5°
HN21N2HN22112.9°106.7°
O3C3C4101.9°109.5°
O3C3H3120.2°109.5°
C3O3HO3106.3°106.7°
C4C3H3107.2°109.4°
C3C4C5127.6°120.0°
C3C4H4121.7°120.0°
C5C4H4110.7°120.0°
C4C5C6128.3°120.0°
C4C5H5110.6°120.0°
C6C5H5121.1°120.0°
C5C6C7110.0°109.5°
C5C6H61112.0°109.5°
C5C6H62112.0°109.4°
C7C6H61112.1°109.5°
C7C6H62112.0°109.4°
C6C7C8110.4°109.5°
C6C7H71111.9°109.5°
C6C7H72111.9°109.5°
H61C6H6298.3°109.5°
C8C7H71111.8°109.5°
C8C7H72111.8°109.5°
C7C8C9109.1°109.5°
C7C8H81112.3°109.5°
C7C8H82112.3°109.5°
H71C7H7298.6°109.5°
C9C8H81112.4°109.5°
C9C8H82112.3°109.4°
C8C9C10113.8°109.5°
C8C9H91110.6°109.5°
C8C9H92110.6°109.5°
H81C8H8298.0°109.5°
C10C9H91110.6°109.4°
C10C9H92110.6°109.4°
C9C10C11110.5°109.5°
C9C10H101111.8°109.5°
C9C10H102111.8°109.5°
H91C9H9299.7°109.5°
C11C10H101111.8°109.4°
C11C10H102111.8°109.5°
C10C11C12110.2°109.5°
C10C11H111111.9°109.5°
C10C11H112111.9°109.5°
H101C10H10298.6°109.5°
C12C11H111112.0°109.4°
C12C11H112111.9°109.5°
C11C12C13115.4°109.5°
C11C12H121110.0°109.4°
C11C12H122110.0°109.4°
H111C11H11298.5°109.4°
C13C12H121110.1°109.5°
C13C12H122110.0°109.5°
C12C13C14106.3°109.5°
C12C13H131113.4°109.5°
C12C13H132113.4°109.4°
H121C12H122100.2°109.5°
C14C13H131113.4°109.5°
C14C13H132113.4°109.5°
C13C14C15112.8°109.5°
C13C14H141111.0°109.5°
C13C14H142111.0°109.5°
H131C13H13297.1°109.5°
C15C14H141111.0°109.5°
C15C14H142111.0°109.5°
C14C15C16109.2°109.4°
C14C15H151112.3°109.5°
C14C15H152112.3°109.4°
H141C14H14299.3°109.5°
C16C15H151112.3°109.5°
C16C15H152112.3°109.5°
C15C16C17113.1°109.4°
C15C16H161110.9°109.5°
C15C16H162110.8°109.4°
H151C15H15298.1°109.5°
C17C16H161110.9°109.5°
C17C16H162110.9°109.5°
C16C17C18112.8°109.5°
C16C17H171111.0°109.5°
C16C17H172111.0°109.5°
H161C16H16299.4°109.5°
C18C17H171111.0°109.5°
C18C17H172111.0°109.5°
C17C18H181112.8°109.5°
C17C18H182111.0°109.5°
C17C18H183111.0°109.5°
H171C17H17299.3°109.5°
H181C18H182111.0°109.5°
H181C18H183111.0°109.5°
H182C18H18399.3°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2H11125.3°120.0°
O1C1C2H12125.3°120.0°
O1C1H11H12115.9°120.0°
O1C1C2N265.9°65.0°
O1C1C2C359.1°175.0°
O1C1C2H2177.2°55.0°
C2C1H11H12115.8°120.0°
C2C1O1HO1180.0°180.0°
C1C2N2C3118.2°120.0°
C1C2N2H2123.8°120.0°
C1C2C3H2123.8°120.0°
C1C2N2HN21180.0°53.8°
C1C2N2HN2254.7°60.0°
C1C2C3O355.2°60.0°
C1C2C3C4169.5°180.0°
C1C2C3H372.0°60.0°
H11C1O1HO154.7°60.0°
H11C1C2N2168.8°175.0°
H11C1C2C366.2°55.0°
H11C1C2H251.9°65.0°
H12C1O1HO154.7°60.0°
H12C1C2N259.4°55.0°
H12C1C2C3175.6°65.0°
H12C1C2H257.5°175.0°
N2C2C3H2116.7°120.0°
C2N2HN21HN22125.2°113.8°
N2C2C3O3174.7°180.0°
N2C2C3C471.0°60.0°
N2C2C3H347.5°60.0°
C3C2N2HN2161.8°173.8°
C3C2N2HN2263.5°60.0°
C2C3O3C4125.9°120.0°
C2C3O3H3115.9°120.0°
C2C3C4H3116.3°120.0°
C2C3O3HO3180.0°60.0°
C2C3C4C5140.0°127.8°
C2C3C4H440.0°52.2°
H2C2N2HN2156.2°66.2°
H2C2N2HN22178.5°180.0°
H2C2C3O368.6°60.0°
H2C2C3C445.7°60.1°
H2C2C3H3164.2°180.0°
O3C3C4H3127.1°120.0°
O3C3C4C523.4°112.1°
O3C3C4H4156.6°67.9°
C4C3O3HO354.1°60.0°
C3C4C5H4180.0°180.0°
C3C4C5C661.8°7.9°
C3C4C5H5118.1°172.2°
H3C3O3HO364.0°180.0°
H3C3C4C5103.7°7.8°
H3C3C4H476.3°172.1°
C4C5C6H5180.0°179.9°
C4C5C6C773.8°127.6°
C4C5C6H6151.6°7.5°
C4C5C6H62160.9°112.5°
H4C4C5C6118.2°172.2°
H4C4C5H561.9°7.7°
C5C6C7H61125.3°120.1°
C5C6C7H62125.3°120.0°
C5C6H61H62117.9°120.0°
C5C6C7C8175.2°180.0°
C5C6C7H7159.6°60.0°
C5C6C7H7250.0°60.0°
H5C5C6C7106.3°52.4°
H5C5C6H61128.4°172.4°
H5C5C6H6219.0°67.6°
C7C6H61H62117.9°120.0°
C6C7C8H71125.2°120.0°
C6C7C8H72125.2°120.0°
C6C7H71H72117.8°120.0°
C6C7C8C9177.1°180.0°
C6C7C8H8151.8°60.0°
C6C7C8H8257.6°60.0°
H61C6C7C849.9°60.0°
H61C6C7H71175.1°180.0°
H61C6C7H7275.4°60.0°
H62C6C7C859.5°60.0°
H62C6C7H7165.7°60.0°
H62C6C7H72175.2°180.0°
C8C7H71H72117.8°120.0°
C7C8C9H81125.3°120.0°
C7C8C9H82125.3°120.0°
C7C8H81H82118.2°120.0°
C7C8C9C10132.0°180.0°
C7C8C9H916.7°60.0°
C7C8C9H92102.8°60.0°
H71C7C8C957.7°60.0°
H71C7C8H81177.0°180.0°
H71C7C8H8267.6°60.0°
H72C7C8C951.8°60.0°
H72C7C8H8173.5°60.0°
H72C7C8H82177.1°179.9°
C9C8H81H82118.2°120.0°
C8C9C10H91125.2°120.0°
C8C9C10H92125.2°120.0°
C8C9H91H92116.4°120.1°
C8C9C10C11168.4°180.0°
C8C9C10H10143.1°60.0°
C8C9C10H10266.3°60.0°
H81C8C9C10102.7°60.0°
H81C8C9H91132.0°180.0°
H81C8C9H9222.6°60.0°
H82C8C9C106.7°60.0°
H82C8C9H91118.6°59.9°
H82C8C9H92132.0°180.0°
C10C9H91H92116.5°119.9°
C9C10C11H101125.3°120.0°
C9C10C11H102125.3°120.1°
C9C10H101H102117.7°120.0°
C9C10C11C12179.8°180.0°
C9C10C11H11154.6°60.0°
C9C10C11H11254.9°60.0°
H91C9C10C1166.4°60.0°
H91C9C10H101168.4°180.0°
H91C9C10H10258.9°60.0°
H92C9C10C1143.2°60.0°
H92C9C10H10182.1°60.0°
H92C9C10H102168.4°180.0°
C11C10H101H102117.7°120.0°
C10C11C12H111125.2°120.0°
C10C11C12H112125.2°120.1°
C10C11H111H112117.8°120.0°
C10C11C12C1385.0°180.0°
C10C11C12H121149.7°60.0°
C10C11C12H12240.3°60.0°
H101C10C11C1254.9°60.0°
H101C10C11H111179.8°180.0°
H101C10C11H11270.3°60.0°
H102C10C11C1254.5°59.9°
H102C10C11H11170.7°60.0°
H102C10C11H112179.8°180.0°
C12C11H111H112117.9°119.9°
C11C12C13H121125.3°120.0°
C11C12C13H122125.2°120.0°
C11C12H121H122115.9°119.9°
C11C12C13C14167.2°180.0°
C11C12C13H13167.6°60.0°
C11C12C13H13241.9°60.0°
H111C11C12C1340.2°60.0°
H111C11C12H12185.1°180.0°
H111C11C12H122165.5°60.0°
H112C11C12C13149.8°59.9°
H112C11C12H12124.5°60.1°
H112C11C12H12285.0°180.0°
C13C12H121H122115.8°120.1°
C12C13C14H131125.2°120.0°
C12C13C14H132125.3°120.0°
C12C13H131H132119.3°120.0°
C12C13C14C15175.0°NaN°
C12C13C14H14149.7°60.0°
C12C13C14H14259.7°60.0°
H121C12C13C1441.9°60.0°
H121C12C13H131167.1°180.0°
H121C12C13H13283.4°59.9°
H122C12C13C1467.6°60.0°
H122C12C13H13157.6°60.0°
H122C12C13H132167.1°180.0°
C14C13H131H132119.3°120.0°
C13C14C15H141125.3°120.0°
C13C14C15H142125.3°120.0°
C13C14H141H142116.8°120.0°
C13C14C15C16174.4°180.0°
C13C14C15H15160.4°60.0°
C13C14C15H15249.1°60.0°
H131C13C14C1559.7°60.0°
H131C13C14H141174.9°180.0°
H131C13C14H14265.5°60.0°
H132C13C14C1549.8°60.0°
H132C13C14H14175.6°60.0°
H132C13C14H142175.0°179.9°
C15C14H141H142116.8°120.0°
C14C15C16H151125.2°120.0°
C14C15C16H152125.3°119.9°
C14C15H151H152118.2°120.0°
C14C15C16C17173.3°180.0°
C14C15C16H16148.0°60.0°
C14C15C16H16261.4°60.0°
H141C14C15C1649.1°60.0°
H141C14C15H151174.3°180.0°
H141C14C15H15276.2°60.0°
H142C14C15C1660.3°60.0°
H142C14C15H15164.9°60.0°
H142C14C15H152174.4°180.0°
C16C15H151H152118.2°120.0°
C15C16C17H161125.3°120.0°
C15C16C17H162125.2°119.9°
C15C16H161H162116.7°120.0°
C15C16C17C18172.3°180.0°
C15C16C17H17162.5°60.0°
C15C16C17H17247.0°60.0°
H151C15C16C1761.4°60.0°
H151C15C16H161173.3°NaN°
H151C15C16H16263.8°60.0°
H152C15C16C1748.0°60.1°
H152C15C16H16177.3°59.9°
H152C15C16H162173.3°180.0°
C17C16H161H162116.7°120.0°
C16C17C18H171125.2°120.0°
C16C17C18H172125.3°120.0°
C16C17H171H172116.9°120.0°
C16C17C18H181180.0°60.0°
C16C17C18H18254.7°60.0°
C16C17C18H18354.7°180.0°
H161C16C17C1847.0°60.0°
H161C16C17H171172.2°NaN°
H161C16C17H17278.3°60.0°
H162C16C17C1862.5°60.0°
H162C16C17H17162.8°60.0°
H162C16C17H172172.3°179.9°
C18C17H171H172116.8°120.0°
C17C18H181H182125.3°120.0°
C17C18H181H183125.3°120.0°
C17C18H182H183116.8°120.0°
H171C17C18H18154.7°60.0°
H171C17C18H182179.9°180.0°
H171C17C18H18370.5°60.0°
H172C17C18H18154.7°180.0°
H172C17C18H18270.6°60.0°
H172C17C18H183180.0°60.0°
H181C18H182H183116.8°120.0°

222624

PDB entries from 2024-07-17

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