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STR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.56Å
C1C10sing1.52Å1.56Å
C1H11sing1.09Å1.11Å
C1H12sing1.09Å1.12Å
C2C3sing1.52Å1.51Å
C2H21sing1.09Å1.12Å
C2H22sing1.09Å1.12Å
C3O3doub1.21Å1.24Å
C3C4sing1.47Å1.47Å
C4C5doub1.33Å1.33Å
C4H4sing1.08Å1.10Å
C5C6sing1.52Å1.54Å
C5C10sing1.50Å1.59Å
C6C7sing1.53Å1.55Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.11Å
C7C8sing1.53Å1.56Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.11Å
C8C9sing1.53Å1.57Å
C8C14sing1.52Å1.54Å
C8H8sing1.09Å1.12Å
C9C10sing1.53Å1.57Å
C9C11sing1.53Å1.55Å
C9H9sing1.09Å1.11Å
C10C19sing1.53Å1.57Å
C11C12sing1.54Å1.56Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C12C13sing1.52Å1.54Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
C13C14sing1.55Å1.58Å
C13C17sing1.53Å1.56Å
C13C18sing1.53Å1.59Å
C14C15sing1.53Å1.54Å
C14H14sing1.09Å1.11Å
C15C16sing1.55Å1.57Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.11Å
C16C17sing1.55Å1.56Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
C17C20sing1.51Å1.54Å
C17H17sing1.09Å1.11Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.12Å
C18H183sing1.09Å1.12Å
C19H191sing1.09Å1.12Å
C19H192sing1.09Å1.12Å
C19H193sing1.09Å1.12Å
C20O20doub1.21Å1.21Å
C20C21sing1.51Å1.48Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.11Å
C21H213sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C10112.7°111.8°
C2C1H11111.0°109.0°
C2C1H12111.0°109.1°
C1C2C3109.0°107.4°
C1C2H21112.4°109.9°
C1C2H22112.4°109.8°
C10C1H11111.0°109.0°
C10C1H12111.0°109.0°
C1C10C5110.3°114.0°
C1C10C9108.1°109.2°
C1C10C19110.7°108.0°
H11C1H1299.4°108.9°
C3C2H21112.4°109.9°
C3C2H22112.4°109.8°
C2C3O3119.1°121.7°
C2C3C4119.7°116.5°
H21C2H2298.0°109.9°
O3C3C4121.1°121.8°
C3C4C5121.6°120.1°
C3C4H4124.2°119.9°
C5C4H4114.3°120.0°
C4C5C6119.2°117.7°
C4C5C10123.2°123.6°
C6C5C10117.6°118.7°
C5C6C7112.6°108.8°
C5C6H61111.1°109.6°
C5C6H62111.1°109.6°
C5C10C9108.1°110.5°
C5C10C19106.9°108.0°
C7C6H61111.1°109.6°
C7C6H62111.1°109.5°
C6C7C8113.4°109.2°
C6C7H71110.8°109.5°
C6C7H72110.8°109.6°
H61C6H6299.3°109.7°
C8C7H71110.8°109.5°
C8C7H72110.8°109.6°
C7C8C9108.7°109.6°
C7C8C14110.2°109.7°
C7C8H8109.0°109.9°
H71C7H7299.6°109.5°
C9C8C14107.7°107.7°
C9C8H8111.4°110.0°
C8C9C10113.4°109.5°
C8C9C11111.1°112.4°
C8C9H9106.2°107.9°
C14C8H8109.9°109.9°
C8C14C13112.9°107.9°
C8C14C15118.2°115.8°
C8C14H1498.9°110.3°
C10C9C11111.4°109.1°
C10C9H9105.9°109.0°
C9C10C19112.7°106.8°
C11C9H9108.4°109.0°
C9C11C12112.5°111.7°
C9C11H111111.1°109.1°
C9C11H112111.1°109.1°
C10C19H191110.7°109.5°
C10C19H192111.8°109.4°
C10C19H193111.8°109.4°
C12C11H111111.1°109.0°
C12C11H112111.1°109.0°
C11C12C13110.8°108.2°
C11C12H121111.7°109.9°
C11C12H122111.7°109.9°
H111C11H11299.1°109.0°
C13C12H121111.7°107.9°
C13C12H122111.7°110.9°
C12C13C14106.0°107.9°
C12C13C17115.1°117.7°
C12C13C18111.8°109.8°
H121C12H12298.7°110.0°
C14C13C1798.2°103.3°
C14C13C18113.5°107.7°
C13C14C15104.0°101.7°
C13C14H14114.4°110.4°
C17C13C18111.4°109.9°
C13C17C16105.8°105.4°
C13C17C20116.3°110.4°
C13C17H17109.8°110.4°
C13C18H181111.9°109.5°
C13C18H182111.4°109.5°
C13C18H183111.4°109.5°
C15C14H14108.7°110.4°
C14C15C16103.0°103.0°
C14C15H151114.7°110.7°
C14C15H152114.7°110.7°
C16C15H151114.7°110.7°
C16C15H152114.7°110.7°
C15C16C17106.0°106.4°
C15C16H161113.5°110.1°
C15C16H162113.5°110.1°
H151C15H15295.8°110.8°
C17C16H161113.5°110.0°
C17C16H162113.5°110.1°
C16C17C20115.5°110.2°
C16C17H17110.7°110.2°
H161C16H16297.0°110.1°
C20C17H1798.6°110.2°
C17C20O20121.2°120.0°
C17C20C21118.8°120.0°
H181C18H182111.3°109.5°
H181C18H183111.3°109.4°
H182C18H18398.9°109.5°
H191C19H192111.7°109.5°
H191C19H193111.8°109.5°
H192C19H19398.6°109.5°
O20C20C21120.0°119.9°
C20C21H211118.8°109.5°
C20C21H212108.9°109.4°
C20C21H213108.8°109.5°
H211C21H212108.9°109.5°
H211C21H213108.8°109.5°
H212C21H213101.2°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C10H11125.3°120.6°
C2C1C10H12125.2°120.7°
C2C1H11H12116.9°118.9°
C1C2C3H21125.3°119.6°
C1C2C3H22125.3°119.4°
C1C2H21H22118.3°121.0°
C1C2C3O3146.4°130.6°
C1C2C3C436.8°49.3°
C2C1C10C544.7°39.4°
C2C1C10C9162.8°163.6°
C2C1C10C1973.4°80.6°
C10C1H11H12116.9°118.9°
C10C1C2C355.8°57.8°
C10C1C2H2169.5°177.4°
C10C1C2H22178.9°61.6°
C1C10C5C414.0°9.5°
C1C10C5C6164.4°171.0°
C1C10C5C9118.0°123.5°
C1C10C5C19120.4°120.1°
C1C10C9C8173.0°178.0°
C1C10C9C19122.6°116.6°
C1C10C9C1160.7°58.7°
C1C10C9H956.9°60.1°
C1C10C19H191180.0°66.5°
C1C10C19H19254.8°173.4°
C1C10C19H19354.7°53.5°
H11C1C2C369.4°62.8°
H11C1C2H21165.3°56.8°
H11C1C2H2255.9°177.8°
H11C1C10C580.5°81.1°
H11C1C10C937.5°43.1°
H11C1C10C19161.3°158.8°
H12C1C2C3178.9°178.4°
H12C1C2H2155.8°62.0°
H12C1C2H2253.6°59.0°
H12C1C10C5170.0°160.1°
H12C1C10C972.0°75.7°
H12C1C10C1951.8°40.1°
C3C2H21H22118.3°121.0°
C2C3O3C4176.8°179.9°
C2C3C4C56.8°21.2°
C2C3C4H4173.2°158.7°
H21C2C3O388.3°11.0°
H21C2C3C488.5°168.9°
H22C2C3O321.1°110.0°
H22C2C3C4162.1°70.1°
O3C3C4C5176.5°158.7°
O3C3C4H43.5°21.4°
C3C4C5H4180.0°179.9°
C3C4C5C6175.9°179.3°
C3C4C5C105.6°0.2°
C4C5C6C10178.5°179.5°
C4C5C6C7133.4°131.4°
C4C5C6H61101.4°11.6°
C4C5C6H628.1°108.8°
C4C5C10C9132.0°133.0°
C4C5C10C19106.3°110.5°
H4C4C5C64.0°0.6°
H4C4C5C10174.4°179.9°
C5C6C7H61125.2°119.8°
C5C6C7H62125.3°119.8°
C5C6H61H62116.9°120.4°
C5C6C7C849.5°55.3°
C5C6C7H71174.7°64.6°
C5C6C7H7275.8°175.3°
C6C5C10C946.4°47.5°
C6C5C10C1975.2°68.9°
C10C5C6C745.2°49.1°
C10C5C6H6180.1°168.9°
C10C5C6H62170.4°70.7°
C5C10C9C853.6°51.8°
C5C10C9C19118.0°117.2°
C5C10C9C11179.9°175.1°
C5C10C9H962.4°66.1°
C5C10C19H19159.9°57.2°
C5C10C19H192174.9°62.8°
C5C10C19H19365.4°177.3°
C7C6H61H62116.9°120.3°
C6C7C8H71125.2°119.9°
C6C7C8H72125.3°120.0°
C6C7H71H72116.7°120.1°
C6C7C8C956.4°64.9°
C6C7C8C14174.2°177.1°
C6C7C8H865.1°56.0°
H61C6C7C875.8°175.1°
H61C6C7H7149.4°55.2°
H61C6C7H72159.0°64.9°
H62C6C7C8174.7°64.5°
H62C6C7H7160.0°175.6°
H62C6C7H7249.5°55.5°
C8C7H71H72116.6°120.2°
C7C8C9C14119.4°119.3°
C7C8C9H8120.0°120.9°
C7C8C14H8120.1°121.1°
C7C8C9C1060.0°62.5°
C7C8C9C11173.6°176.1°
C7C8C9H955.9°56.0°
C7C8C14C13179.4°177.5°
C7C8C14C1558.9°64.3°
C7C8C14H1458.0°61.9°
H71C7C8C9178.3°55.0°
H71C7C8C1460.6°63.0°
H71C7C8H860.1°175.9°
H72C7C8C968.8°175.1°
H72C7C8C1448.9°57.1°
H72C7C8H8169.6°64.0°
C9C8C14H8121.5°119.8°
C8C9C10C11126.3°123.3°
C8C9C10H9116.1°117.8°
C8C9C11H9116.4°119.6°
C8C9C10C1964.4°65.5°
C8C9C11C1253.7°53.6°
C8C9C11H111179.0°174.1°
C8C9C11H11271.6°67.0°
C9C8C14C1361.0°63.4°
C9C8C14C15177.3°176.5°
C9C8C14H1460.4°57.2°
C14C8C9C10179.4°178.2°
C14C8C9C1154.2°56.9°
C14C8C9H963.5°63.3°
C8C14C13C1263.6°68.2°
C8C14C13C15129.4°122.3°
C8C14C13H14112.2°120.5°
C8C14C13C17177.2°166.6°
C8C14C13C1859.5°50.3°
C8C14C15H14111.5°126.2°
C8C14C15C16163.9°158.2°
C8C14C15H15138.6°83.4°
C8C14C15H15270.8°39.8°
H8C8C9C1060.0°58.4°
H8C8C9C1166.4°62.9°
H8C8C9H9175.9°176.9°
H8C8C14C1360.5°56.4°
H8C8C14C1561.2°56.7°
H8C8C14H14178.1°177.0°
C10C9C11H9116.1°118.9°
C10C9C11C12178.8°175.1°
C10C9C11H11153.5°64.3°
C10C9C11H11256.0°54.6°
C9C10C19H19158.8°176.1°
C9C10C19H19266.4°56.1°
C9C10C19H193175.9°63.9°
C11C9C10C1961.9°57.8°
C9C11C12H111125.3°120.6°
C9C11C12H112125.3°120.6°
C9C11H111H112117.0°119.0°
C9C11C12C1357.2°55.7°
C9C11C12H12168.1°61.9°
C9C11C12H122177.5°176.9°
H9C9C10C19179.6°176.7°
H9C9C11C1262.7°66.0°
H9C9C11H11162.7°54.5°
H9C9C11H112172.1°173.5°
C10C19H191H192125.3°120.0°
C10C19H191H193125.3°120.0°
C10C19H192H193117.7°119.9°
C12C11H111H112116.9°118.8°
C11C12C13H121125.3°118.9°
C11C12C13H122125.2°120.6°
C11C12H121H122117.6°121.1°
C11C12C13C1458.9°62.6°
C11C12C13C17166.3°178.7°
C11C12C13C1865.2°54.5°
H111C11C12C13177.5°176.3°
H111C11C12H12157.3°58.7°
H111C11C12H12252.2°62.5°
H112C11C12C1368.1°64.9°
H112C11C12H121166.6°177.5°
H112C11C12H12257.2°56.3°
C13C12H121H122117.6°121.0°
C12C13C14C17119.2°125.2°
C12C13C14C18123.1°118.4°
C12C13C17C18128.7°126.6°
C12C13C14C15167.0°169.5°
C12C13C14H1448.5°52.4°
C12C13C17C16151.4°147.8°
C12C13C17C2078.9°93.2°
C12C13C17H1731.9°28.9°
C12C13C18H181180.0°65.5°
C12C13C18H18254.7°54.5°
C12C13C18H18354.7°174.6°
H121C12C13C1466.4°56.3°
H121C12C13C1741.0°59.8°
H121C12C13C18169.5°173.4°
H122C12C13C14175.9°176.8°
H122C12C13C1768.5°60.7°
H122C12C13C1860.0°66.1°
C14C13C17C18119.3°114.7°
C13C14C15H14122.3°117.1°
C13C14C15C1637.8°41.5°
C13C14C15H15187.5°159.9°
C13C14C15H152163.1°76.8°
C14C13C17C1639.3°29.2°
C14C13C17C20169.0°148.2°
C14C13C17H1780.1°89.8°
C14C13C18H18160.2°177.3°
C14C13C18H182174.5°62.7°
C14C13C18H18365.1°57.3°
C17C13C14C1547.8°44.3°
C17C13C14H1470.6°72.9°
C13C17C16C1517.7°3.5°
C13C17C16C20130.1°119.1°
C13C17C16H17118.9°119.1°
C13C17C16H161107.6°122.6°
C13C17C16H162142.9°115.8°
C13C17C20H17117.2°122.2°
C17C13C18H18149.6°65.4°
C17C13C18H18275.7°174.5°
C17C13C18H183174.8°54.5°
C13C17C20O20104.8°89.9°
C13C17C20C2175.7°90.0°
C18C13C14C1569.9°72.0°
C18C13C14H14171.6°170.8°
C18C13C17C1679.9°85.5°
C18C13C17C2049.8°33.5°
C18C13C17H17160.6°155.5°
C13C18H181H182125.3°120.1°
C13C18H181H183125.3°120.0°
C13C18H182H183117.2°120.1°
C14C15C16H151125.3°118.4°
C14C15C16H152125.3°118.4°
C14C15H151H152120.6°123.2°
C14C15C16C1712.4°23.9°
C14C15C16H161137.7°95.3°
C14C15C16H162112.9°143.2°
H14C14C15C1684.5°75.6°
H14C14C15H151150.2°42.8°
H14C14C15H15240.7°166.0°
C16C15H151H152120.5°123.2°
C15C16C17H161125.2°119.2°
C15C16C17H162125.3°119.3°
C15C16H161H162119.4°121.6°
C15C16C17C20147.8°122.5°
C15C16C17H17101.2°115.6°
H151C15C16C17112.9°142.3°
H151C15C16H16112.4°23.1°
H151C15C16H162121.9°98.4°
H152C15C16C17137.7°94.5°
H152C15C16H16197.1°146.4°
H152C15C16H16212.4°24.8°
C17C16H161H162119.4°121.5°
C16C17C20H17117.9°121.9°
C16C17C20O2020.1°26.1°
C16C17C20C21159.4°154.1°
H161C16C17C2022.6°118.3°
H161C16C17H17133.5°3.6°
H162C16C17C2086.9°3.2°
H162C16C17H1724.1°125.1°
C17C20O20C21179.5°179.9°
C17C20C21H211179.9°179.9°
C17C20C21H21254.7°60.1°
C17C20C21H21354.8°59.9°
H17C17C20O20138.0°148.0°
H17C17C20C2141.5°32.2°
H181C18H182H183117.2°119.9°
H191C19H192H193117.6°120.1°
O20C20C21H2110.6°0.0°
O20C20C21H212124.8°120.1°
O20C20C21H213125.7°120.0°
C20C21H211H212125.3°120.0°
C20C21H211H213125.2°120.0°
C20C21H212H213114.6°120.0°
H211C21H212H213114.5°120.0°

218853

PDB entries from 2024-04-24

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