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2PE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C2sing1.43Å1.43Å
O1HO1sing0.97Å0.95Å
C2C3sing1.53Å1.54Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.12Å
C3O4sing1.43Å1.43Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.11Å
O4C5sing1.43Å1.43Å
C5C6sing1.53Å1.53Å
C5H51sing1.09Å1.11Å
C5H52sing1.09Å1.11Å
C6O7sing1.43Å1.43Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.12Å
O7C8sing1.43Å1.43Å
C8C9sing1.53Å1.55Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.12Å
C9O10sing1.43Å1.44Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.11Å
O10C11sing1.43Å1.44Å
C11C12sing1.53Å1.54Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12O13sing1.43Å1.43Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
O13C14sing1.43Å1.42Å
C14C15sing1.53Å1.52Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.12Å
C15O16sing1.43Å1.43Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.11Å
O16C17sing1.43Å1.43Å
C17C18sing1.53Å1.53Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.11Å
C18O19sing1.43Å1.44Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.12Å
O19C20sing1.43Å1.44Å
C20C21sing1.53Å1.53Å
C20H201sing1.09Å1.12Å
C20H202sing1.09Å1.11Å
C21O22sing1.43Å1.43Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.11Å
O22C23sing1.43Å1.43Å
C23C24sing1.53Å1.53Å
C23H231sing1.09Å1.12Å
C23H232sing1.09Å1.12Å
C24O25sing1.43Å1.43Å
C24H241sing1.09Å1.11Å
C24H242sing1.09Å1.12Å
O25C26sing1.43Å1.44Å
C26C27sing1.53Å1.54Å
C26H261sing1.09Å1.11Å
C26H262sing1.09Å1.11Å
C27O28sing1.43Å1.43Å
C27H271sing1.09Å1.11Å
C27H272sing1.09Å1.11Å
O28HO2sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2O1HO1109.3°106.8°
O1C2C3109.3°109.5°
O1C2H21112.3°109.4°
O1C2H22112.3°109.4°
C3C2H21112.3°109.5°
C3C2H22112.2°109.5°
C2C3O4110.0°109.5°
C2C3H31112.0°109.5°
C2C3H32112.1°109.5°
H21C2H2298.1°109.4°
O4C3H31112.0°109.4°
O4C3H32112.0°109.5°
C3O4C5109.1°106.8°
H31C3H3298.4°109.5°
O4C5C6109.2°109.5°
O4C5H51112.3°109.4°
O4C5H52112.3°109.5°
C6C5H51112.3°109.5°
C6C5H52112.3°109.5°
C5C6O7108.5°109.5°
C5C6H61112.6°109.5°
C5C6H62112.6°109.5°
H51C5H5298.2°109.5°
O7C6H61112.6°109.4°
O7C6H62112.6°109.5°
C6O7C8109.2°106.8°
H61C6H6297.8°109.5°
O7C8C9111.4°109.5°
O7C8H81111.5°109.4°
O7C8H82111.5°109.4°
C9C8H81111.5°109.5°
C9C8H82111.5°109.5°
C8C9O10109.3°109.4°
C8C9H91112.3°109.5°
C8C9H92112.3°109.4°
H81C8H8298.8°109.5°
O10C9H91112.2°109.5°
O10C9H92112.3°109.5°
C9O10C11110.4°106.8°
H91C9H9298.2°109.5°
O10C11C12110.4°109.5°
O10C11H111111.9°109.5°
O10C11H112111.9°109.5°
C12C11H111111.8°109.4°
C12C11H112111.9°109.5°
C11C12O13110.1°109.5°
C11C12H121112.0°109.5°
C11C12H122112.0°109.4°
H111C11H11298.5°109.5°
O13C12H121111.9°109.5°
O13C12H122111.9°109.5°
C12O13C14109.3°106.8°
H121C12H12298.4°109.5°
O13C14C15109.6°109.5°
O13C14H141112.2°109.4°
O13C14H142112.2°109.5°
C15C14H141112.2°109.5°
C15C14H142112.2°109.5°
C14C15O16109.7°109.5°
C14C15H151112.1°109.4°
C14C15H152112.1°109.5°
H141C14H14298.2°109.5°
O16C15H151112.1°109.5°
O16C15H152112.1°109.5°
C15O16C17108.7°106.8°
H151C15H15298.3°109.4°
O16C17C18109.4°109.5°
O16C17H171112.2°109.5°
O16C17H172112.3°109.5°
C18C17H171112.2°109.4°
C18C17H172112.3°109.5°
C17C18O19109.8°109.5°
C17C18H181112.0°109.5°
C17C18H182112.0°109.4°
H171C17H17298.1°109.5°
O19C18H181112.1°109.5°
O19C18H182112.1°109.5°
C18O19C20109.3°106.8°
H181C18H18298.3°109.5°
O19C20C21109.7°109.5°
O19C20H201112.1°109.5°
O19C20H202112.1°109.5°
C21C20H201112.1°109.4°
C21C20H202112.2°109.4°
C20C21O22108.8°109.5°
C20C21H211112.4°109.6°
C20C21H212112.4°109.5°
H201C20H20298.3°109.5°
O22C21H211112.5°109.5°
O22C21H212112.5°109.4°
C21O22C23109.7°106.8°
H211C21H21298.0°109.5°
O22C23C24109.0°109.5°
O22C23H231112.3°109.5°
O22C23H232112.3°109.4°
C24C23H231112.4°109.4°
C24C23H232112.4°109.5°
C23C24O25108.8°109.5°
C23C24H241112.5°109.5°
C23C24H242112.5°109.4°
H231C23H23298.1°109.5°
O25C24H241112.5°109.5°
O25C24H242112.5°109.5°
C24O25C26109.3°106.8°
H241C24H24298.0°109.4°
O25C26C27109.7°109.5°
O25C26H261112.1°109.5°
O25C26H262112.1°109.5°
C27C26H261112.1°109.5°
C27C26H262112.1°109.5°
C26C27O28109.6°109.5°
C26C27H271112.1°109.5°
C26C27H272112.2°109.5°
H261C26H26298.3°109.5°
O28C27H271112.1°109.5°
O28C27H272112.1°109.5°
C27O28HO2109.7°106.7°
H271C27H27298.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C2C3H21125.3°120.0°
O1C2C3H22125.3°120.0°
O1C2H21H22118.2°119.9°
O1C2C3O4162.7°60.0°
O1C2C3H3137.4°180.0°
O1C2C3H3272.1°60.0°
HO1O1C2C3179.9°180.0°
HO1O1C2H2154.8°59.9°
HO1O1C2H2254.7°59.9°
C3C2H21H22118.1°120.0°
C2C3O4H31125.3°120.0°
C2C3O4H32125.3°120.0°
C2C3H31H32118.0°120.0°
C2C3O4C5125.4°180.0°
H21C2C3O472.0°60.0°
H21C2C3H31162.7°60.0°
H21C2C3H3253.2°180.0°
H22C2C3O437.4°180.0°
H22C2C3H3187.8°60.0°
H22C2C3H32162.7°60.0°
O4C3H31H32117.9°120.0°
C3O4C5C6149.1°180.0°
C3O4C5H5123.9°60.0°
C3O4C5H5285.6°60.0°
H31C3O4C5109.4°60.1°
H32C3O4C50.1°60.0°
O4C5C6H51125.2°120.0°
O4C5C6H52125.3°120.0°
O4C5H51H52118.2°120.0°
O4C5C6O7150.6°60.0°
O4C5C6H6184.1°180.0°
O4C5C6H6225.3°60.0°
C6C5H51H52118.2°120.0°
C5C6O7H61125.3°120.0°
C5C6O7H62125.3°120.0°
C5C6H61H62118.5°120.0°
C5C6O7C8120.2°180.0°
H51C5C6O725.3°60.0°
H51C5C6H61150.6°60.0°
H51C5C6H6299.9°180.0°
H52C5C6O784.2°180.0°
H52C5C6H6141.1°60.0°
H52C5C6H62150.6°60.0°
O7C6H61H62118.5°120.0°
C6O7C8C965.4°180.0°
C6O7C8H81169.4°60.0°
C6O7C8H8259.9°60.0°
H61C6O7C8114.4°60.0°
H62C6O7C85.0°60.0°
O7C8C9H81125.3°120.0°
O7C8C9H82125.3°120.0°
O7C8H81H82117.4°119.9°
O7C8C9O10176.1°60.0°
O7C8C9H9150.9°180.0°
O7C8C9H9258.7°60.0°
C9C8H81H82117.4°120.1°
C8C9O10H91125.2°120.0°
C8C9O10H92125.3°119.9°
C8C9H91H92118.2°120.0°
C8C9O10C1174.8°180.0°
H81C8C9O1058.6°60.0°
H81C8C9H91176.2°60.0°
H81C8C9H9266.6°179.9°
H82C8C9O1050.8°180.0°
H82C8C9H9174.4°60.0°
H82C8C9H92176.1°60.0°
O10C9H91H92118.2°120.1°
C9O10C11C12156.3°180.0°
C9O10C11H11131.1°60.0°
C9O10C11H11278.4°60.0°
H91C9O10C1150.4°60.0°
H92C9O10C11159.9°60.0°
O10C11C12H111125.3°120.0°
O10C11C12H112125.3°120.0°
O10C11H111H112117.8°120.0°
O10C11C12O13118.5°60.0°
O10C11C12H121116.2°179.9°
O10C11C12H1226.7°60.0°
C12C11H111H112117.8°120.0°
C11C12O13H121125.3°120.0°
C11C12O13H122125.3°120.0°
C11C12H121H122117.9°120.0°
C11C12O13C1487.0°180.0°
H111C11C12O136.7°60.0°
H111C11C12H121118.5°60.0°
H111C11C12H122132.0°180.0°
H112C11C12O13116.2°180.0°
H112C11C12H1219.1°60.0°
H112C11C12H122118.6°60.0°
O13C12H121H122117.8°120.1°
C12O13C14C15148.5°180.0°
C12O13C14H14123.3°60.0°
C12O13C14H14286.2°60.0°
H121C12O13C1438.3°60.1°
H122C12O13C14147.7°60.0°
O13C14C15H141125.3°119.9°
O13C14C15H142125.3°120.0°
O13C14H141H142118.1°120.0°
O13C14C15O1687.0°60.0°
O13C14C15H151147.7°180.0°
O13C14C15H15238.3°60.1°
C15C14H141H142118.1°120.0°
C14C15O16H151125.3°120.0°
C14C15O16H152125.3°120.1°
C14C15H151H152118.0°120.0°
C14C15O16C17147.8°180.0°
H141C14C15O1638.3°59.9°
H141C14C15H15187.0°60.1°
H141C14C15H152163.6°180.0°
H142C14C15O16147.7°180.0°
H142C14C15H15122.4°60.0°
H142C14C15H15287.0°60.0°
O16C15H151H152118.0°120.0°
C15O16C17C18167.3°180.0°
C15O16C17H17142.1°60.0°
C15O16C17H17267.4°60.0°
H151C15O16C1786.9°60.0°
H152C15O16C1722.5°59.9°
O16C17C18H171125.3°120.0°
O16C17C18H172125.3°120.0°
O16C17H171H172118.2°120.0°
O16C17C18O1996.4°60.0°
O16C17C18H18128.9°180.0°
O16C17C18H182138.3°60.0°
C18C17H171H172118.2°120.0°
C17C18O19H181125.3°120.1°
C17C18O19H182125.3°120.0°
C17C18H181H182117.9°120.0°
C17C18O19C2079.4°180.0°
H171C17C18O19138.3°60.0°
H171C17C18H18196.4°60.0°
H171C17C18H18213.0°180.0°
H172C17C18O1928.9°180.0°
H172C17C18H181154.2°60.0°
H172C17C18H18296.4°60.0°
O19C18H181H182118.0°120.0°
C18O19C20C21156.6°180.0°
C18O19C20H20131.4°60.0°
C18O19C20H20278.1°60.0°
H181C18O19C20155.3°60.0°
H182C18O19C2045.8°60.0°
O19C20C21H201125.2°120.0°
O19C20C21H202125.3°120.0°
O19C20H201H202118.0°120.1°
O19C20C21O2277.7°60.0°
O19C20C21H21147.6°180.0°
O19C20C21H212157.0°59.9°
C21C20H201H202118.1°120.0°
C20C21O22H211125.2°120.1°
C20C21O22H212125.3°120.0°
C20C21H211H212118.3°120.1°
C20C21O22C23117.2°180.0°
H201C20C21O22157.1°60.0°
H201C20C21H21177.7°60.0°
H201C20C21H21231.8°179.9°
H202C20C21O2247.6°180.0°
H202C20C21H211172.9°60.0°
H202C20C21H21277.7°60.1°
O22C21H211H212118.4°119.9°
C21O22C23C24155.8°179.9°
C21O22C23H23130.5°60.0°
C21O22C23H23279.0°60.0°
H211C21O22C23117.5°59.9°
H212C21O22C238.0°60.0°
O22C23C24H231125.3°120.0°
O22C23C24H232125.2°120.0°
O22C23H231H232118.3°120.0°
O22C23C24O2536.6°60.0°
O22C23C24H241161.9°179.9°
O22C23C24H24288.7°60.0°
C24C23H231H232118.3°120.0°
C23C24O25H241125.2°120.0°
C23C24O25H242125.3°120.0°
C23C24H241H242118.4°119.9°
C23C24O25C2680.4°180.0°
H231C23C24O2588.6°60.0°
H231C23C24H24136.6°60.0°
H231C23C24H242146.1°180.0°
H232C23C24O25161.9°180.0°
H232C23C24H24172.9°60.0°
H232C23C24H24236.6°60.0°
O25C24H241H242118.4°120.0°
C24O25C26C27155.6°180.0°
C24O25C26H26130.4°60.0°
C24O25C26H26279.1°60.0°
H241C24O25C2644.8°60.0°
H242C24O25C26154.3°60.0°
O25C26C27H261125.2°120.0°
O25C26C27H262125.3°120.0°
O25C26H261H262118.0°120.0°
O25C26C27O2870.8°60.0°
O25C26C27H271164.0°180.0°
O25C26C27H27254.4°60.0°
C27C26H261H262118.0°120.0°
C26C27O28H271125.3°120.0°
C26C27O28H272125.3°120.0°
C26C27H271H272118.1°120.0°
C26C27O28HO2180.0°180.0°
H261C26C27O2854.4°60.0°
H261C26C27H27170.8°60.0°
H261C26C27H272179.6°NaN°
H262C26C27O28163.9°180.0°
H262C26C27H27138.7°60.0°
H262C26C27H27270.9°60.0°
O28C27H271H272118.0°120.0°
H271C27O28HO254.7°60.1°
H272C27O28HO254.7°60.0°

218853

PDB entries from 2024-04-24

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