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TES

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C1C10sing1.53Å1.54Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.11Å
C2C3sing1.52Å1.47Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.12Å
C3O3doub1.21Å1.21Å
C3C4sing1.47Å1.45Å
C4C5doub1.33Å1.35Å
C4H4sing1.08Å1.10Å
C5C6sing1.52Å1.50Å
C5C10sing1.48Å1.55Å
C6C7sing1.53Å1.53Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.12Å
C7C8sing1.53Å1.54Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.12Å
C8C9sing1.54Å1.53Å
C8C14sing1.53Å1.53Å
C8H8sing1.09Å1.11Å
C9C10sing1.53Å1.54Å
C9C11sing1.52Å1.54Å
C9H9sing1.09Å1.12Å
C10C19sing1.53Å1.54Å
C11C12sing1.54Å1.54Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.11Å
C12C13sing1.52Å1.52Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C13C14sing1.55Å1.53Å
C13C17sing1.52Å1.56Å
C13C18sing1.53Å1.54Å
C14C15sing1.53Å1.53Å
C14H14sing1.09Å1.12Å
C15C16sing1.55Å1.54Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.12Å
C16C17sing1.56Å1.55Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.11Å
C17O17sing1.43Å1.42Å
C17H17sing1.09Å1.12Å
O17HO7sing0.97Å0.95Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.11Å
C18H183sing1.09Å1.11Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.11Å
C19H193sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C10113.2°112.3°
C2C1H11110.8°109.0°
C2C1H12110.8°108.9°
C1C2C3111.7°107.6°
C1C2H21111.4°109.9°
C1C2H22111.4°109.8°
C10C1H11110.9°109.1°
C10C1H12110.8°108.7°
C1C10C5110.3°115.4°
C1C10C9109.4°111.2°
C1C10C19110.9°106.7°
H11C1H1299.5°108.8°
C3C2H21111.4°109.9°
C3C2H22111.3°109.8°
C2C3O3121.7°122.0°
C2C3C4115.9°116.0°
H21C2H2299.0°109.8°
O3C3C4122.4°122.0°
C3C4C5122.9°119.0°
C3C4H4122.4°120.5°
C5C4H4114.7°120.5°
C4C5C6119.4°118.9°
C4C5C10122.9°124.3°
C6C5C10117.7°116.8°
C5C6C7113.0°107.7°
C5C6H61110.9°109.8°
C5C6H62110.9°109.8°
C5C10C9108.8°110.1°
C5C10C19107.1°106.4°
C7C6H61110.9°109.8°
C7C6H62110.9°109.8°
C6C7C8109.1°110.0°
C6C7H71112.3°109.3°
C6C7H72112.3°109.4°
H61C6H6299.4°109.9°
C8C7H71112.4°109.3°
C8C7H72112.3°109.5°
C7C8C9112.4°110.0°
C7C8C14113.3°110.2°
C7C8H8103.8°109.6°
H71C7H7298.1°109.3°
C9C8C14106.7°106.6°
C9C8H8110.7°109.6°
C8C9C10113.2°107.9°
C8C9C11116.1°111.6°
C8C9H9101.4°109.2°
C14C8H8109.9°110.7°
C8C14C13114.8°106.8°
C8C14C15118.6°115.8°
C8C14H1497.0°110.3°
C10C9C11108.3°109.6°
C10C9H9110.4°109.2°
C9C10C19110.4°106.6°
C11C9H9107.0°109.2°
C9C11C12109.8°111.7°
C9C11H111112.0°109.0°
C9C11H112112.1°109.1°
C10C19H191110.8°109.5°
C10C19H192111.7°109.5°
C10C19H193111.7°109.5°
C12C11H111112.1°109.1°
C12C11H112112.1°109.0°
C11C12C13111.2°107.2°
C11C12H121111.5°109.9°
C11C12H122111.6°109.9°
H111C11H11298.4°108.9°
C13C12H121111.6°109.9°
C13C12H122111.6°109.9°
C12C13C14109.2°107.2°
C12C13C17114.3°116.5°
C12C13C18111.9°109.8°
H121C12H12298.8°110.0°
C14C13C1796.7°103.5°
C14C13C18111.9°109.8°
C13C14C15105.0°102.0°
C13C14H14112.8°111.1°
C17C13C18112.0°109.8°
C13C17C16104.8°105.4°
C13C17O17115.3°111.1°
C13C17H17110.4°109.5°
C13C18H181111.9°109.5°
C13C18H182111.3°109.5°
C13C18H183111.3°109.5°
C15C14H14108.5°110.4°
C14C15C16103.2°103.0°
C14C15H151114.6°110.8°
C14C15H152114.6°110.7°
C16C15H151114.6°110.7°
C16C15H152114.6°110.7°
C15C16C17105.2°106.2°
C15C16H161113.8°110.1°
C15C16H162113.8°110.0°
H151C15H15295.9°110.7°
C17C16H161113.9°109.8°
C17C16H162113.8°110.6°
C16C17O17113.9°110.3°
C16C17H17111.9°110.3°
H161C16H16296.7°110.0°
O17C17H17100.6°110.2°
C17O17HO7115.3°106.9°
H181C18H182111.4°109.5°
H181C18H183111.3°109.4°
H182C18H18399.0°109.5°
H191C19H192111.8°109.5°
H191C19H193111.7°109.4°
H192C19H19398.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C10H11125.2°120.9°
C2C1C10H12125.3°120.5°
C2C1H11H12116.7°118.6°
C1C2C3H21125.3°119.6°
C1C2C3H22125.2°119.5°
C1C2H21H22117.3°120.9°
C1C2C3O3136.2°127.3°
C1C2C3C443.5°52.7°
C2C1C10C540.0°31.3°
C2C1C10C9159.6°95.0°
C2C1C10C1978.5°149.2°
C10C1H11H12116.7°118.5°
C10C1C2C356.1°54.5°
C10C1C2H2169.1°65.1°
C10C1C2H22178.7°174.0°
C1C10C5C414.1°1.8°
C1C10C5C6166.2°178.3°
C1C10C5C9119.9°126.9°
C1C10C5C19120.7°118.0°
C1C10C9C8169.5°174.6°
C1C10C9C19122.2°115.9°
C1C10C9C1160.3°52.9°
C1C10C9H956.6°66.7°
C1C10C19H191180.0°60.0°
C1C10C19H19254.7°180.0°
C1C10C19H19354.7°60.0°
H11C1C2C369.1°175.5°
H11C1C2H21165.6°55.9°
H11C1C2H2256.1°65.0°
H11C1C10C585.2°152.2°
H11C1C10C934.3°25.9°
H11C1C10C19156.3°89.9°
H12C1C2C3178.6°66.0°
H12C1C2H2156.1°174.4°
H12C1C2H2253.4°53.6°
H12C1C10C5165.3°89.2°
H12C1C10C975.2°144.4°
H12C1C10C1946.8°28.6°
C3C2H21H22117.2°120.9°
C2C3O3C4179.7°180.0°
C2C3C4C517.5°25.3°
C2C3C4H4162.5°154.6°
H21C2C3O398.5°113.1°
H21C2C3C481.8°66.9°
H22C2C3O311.0°7.8°
H22C2C3C4168.7°172.2°
O3C3C4C5162.2°154.7°
O3C3C4H417.8°25.3°
C3C4C5H4180.0°179.9°
C3C4C5C6177.9°178.1°
C3C4C5C102.4°1.8°
C4C5C6C10179.7°179.9°
C4C5C6C7130.8°126.7°
C4C5C6H61104.0°7.1°
C4C5C6H625.6°113.9°
C4C5C10C9134.1°125.1°
C4C5C10C19106.6°119.8°
H4C4C5C62.1°1.8°
H4C4C5C10177.6°178.3°
C5C6C7H61125.3°119.6°
C5C6C7H62125.2°119.5°
C5C6H61H62116.8°120.9°
C5C6C7C851.9°55.2°
C5C6C7H71177.2°64.9°
C5C6C7H7273.3°175.5°
C6C5C10C946.3°54.8°
C6C5C10C1973.1°60.3°
C10C5C6C749.5°53.2°
C10C5C6H6175.7°172.8°
C10C5C6H62174.7°66.2°
C5C10C9C849.0°56.2°
C5C10C9C19117.3°114.9°
C5C10C9C11179.3°178.0°
C5C10C9H963.9°62.4°
C5C10C19H19159.6°63.7°
C5C10C19H192175.1°56.4°
C5C10C19H19365.6°176.4°
C7C6H61H62116.8°120.8°
C6C7C8H71125.3°120.0°
C6C7C8H72125.2°120.3°
C6C7H71H72118.2°119.7°
C6C7C8C956.8°63.0°
C6C7C8C14177.9°179.7°
C6C7C8H863.0°57.5°
H61C6C7C873.4°174.7°
H61C6C7H7151.9°54.7°
H61C6C7H72161.4°65.0°
H62C6C7C8177.1°64.3°
H62C6C7H7157.6°175.6°
H62C6C7H7251.9°56.0°
C8C7H71H72118.3°119.8°
C7C8C9C14124.9°119.5°
C7C8C9H8115.6°120.5°
C7C8C14H8115.6°121.4°
C7C8C9C1057.6°62.1°
C7C8C9C11176.3°177.5°
C7C8C9H960.7°56.6°
C7C8C14C13179.1°175.7°
C7C8C14C1555.6°62.9°
C7C8C14H1459.9°63.4°
H71C7C8C9178.0°57.0°
H71C7C8C1456.8°60.3°
H71C7C8H862.3°177.6°
H72C7C8C968.5°176.7°
H72C7C8C1452.7°59.4°
H72C7C8H8171.8°62.7°
C9C8C14H8120.1°119.2°
C8C9C10C11130.3°121.7°
C8C9C10H9112.9°118.6°
C8C9C11H9112.4°120.9°
C8C9C10C1968.3°58.7°
C8C9C11C1252.8°55.0°
C8C9C11H111178.1°65.6°
C8C9C11H11272.4°175.5°
C9C8C14C1354.8°65.0°
C9C8C14C15179.9°177.7°
C9C8C14H1464.4°56.0°
C14C8C9C10177.6°178.4°
C14C8C9C1151.4°57.9°
C14C8C9H964.2°63.0°
C8C14C13C1260.0°70.6°
C8C14C13C15132.1°121.9°
C8C14C13H14109.9°120.4°
C8C14C13C17178.6°165.8°
C8C14C13C1864.4°48.6°
C8C14C15H14109.2°126.3°
C8C14C15C16166.8°157.2°
C8C14C15H15141.5°38.8°
C8C14C15H15268.0°84.4°
H8C8C9C1058.0°58.5°
H8C8C9C1168.1°62.0°
H8C8C9H9176.3°177.1°
H8C8C14C1365.3°54.2°
H8C8C14C1560.0°58.5°
H8C8C14H14175.5°175.1°
C10C9C11H9119.0°119.6°
C10C9C11C12178.6°174.5°
C10C9C11H11153.3°53.9°
C10C9C11H11256.2°65.0°
C9C10C19H19158.7°178.9°
C9C10C19H19266.6°61.1°
C9C10C19H193176.1°58.9°
C11C9C10C1962.0°63.0°
C9C11C12H111125.2°120.6°
C9C11C12H112125.3°120.6°
C9C11H111H112118.0°118.9°
C9C11C12C1354.1°57.4°
C9C11C12H12171.1°176.9°
C9C11C12H122179.4°62.0°
H9C9C10C19178.8°177.4°
H9C9C11C1259.6°65.9°
H9C9C11H11165.7°173.5°
H9C9C11H112175.2°54.6°
C10C19H191H192125.3°120.0°
C10C19H191H193125.2°120.0°
C10C19H192H193117.6°120.0°
C12C11H111H112118.0°118.9°
C11C12C13H121125.2°119.4°
C11C12C13H122125.3°119.3°
C11C12H121H122117.5°121.1°
C11C12C13C1457.6°64.7°
C11C12C13C17164.6°179.9°
C11C12C13C1866.7°54.5°
H111C11C12C13179.3°63.2°
H111C11C12H12154.1°56.3°
H111C11C12H12255.4°177.5°
H112C11C12C1371.1°178.0°
H112C11C12H121163.6°62.5°
H112C11C12H12254.2°58.6°
C13C12H121H122117.5°121.2°
C12C13C14C17118.6°123.6°
C12C13C14C18124.4°119.2°
C12C13C17C18128.6°125.5°
C12C13C14C15167.9°167.5°
C12C13C14H1450.0°49.8°
C12C13C17C16157.8°145.6°
C12C13C17O1776.1°95.0°
C12C13C17H1737.1°27.0°
C12C13C18H181180.0°55.4°
C12C13C18H18254.7°175.5°
C12C13C18H18354.7°64.5°
H121C12C13C1467.6°175.9°
H121C12C13C1739.4°60.6°
H121C12C13C18168.0°64.9°
H122C12C13C14177.1°54.6°
H122C12C13C1770.1°60.6°
H122C12C13C1858.6°173.9°
C14C13C17C18116.9°117.2°
C13C14C15H14120.9°118.2°
C13C14C15C1636.9°41.7°
C13C14C15H15188.4°76.7°
C13C14C15H152162.1°160.0°
C14C13C17C1643.3°28.3°
C14C13C17O17169.4°147.7°
C14C13C17H1777.4°90.3°
C14C13C18H18157.1°62.2°
C14C13C18H182177.6°57.9°
C14C13C18H18368.1°177.9°
C17C13C14C1549.3°43.9°
C17C13C14H1468.7°73.8°
C13C17C16C1522.6°2.5°
C13C17C16O17127.0°120.0°
C13C17C16H17119.7°118.1°
C13C17C16H161102.7°116.5°
C13C17C16H162147.8°121.9°
C13C17O17H17118.8°121.6°
C13C17O17HO7180.0°177.9°
C17C13C18H18150.2°175.3°
C17C13C18H18275.1°55.2°
C17C13C18H183175.4°64.8°
C18C13C14C1567.7°73.3°
C18C13C14H14174.3°169.0°
C18C13C17C1673.6°88.9°
C18C13C17O1752.5°30.5°
C18C13C17H17165.7°152.5°
C13C18H181H182125.3°120.0°
C13C18H181H183125.2°120.0°
C13C18H182H183117.2°120.0°
C14C15C16H151125.3°118.4°
C14C15C16H152125.2°118.3°
C14C15H151H152120.4°123.2°
C14C15C16C178.0°24.5°
C14C15C16H161133.3°143.3°
C14C15C16H162117.3°95.3°
H14C14C15C1684.0°76.5°
H14C14C15H151150.7°165.1°
H14C14C15H15241.3°41.9°
C16C15H151H152120.5°123.2°
C15C16C17H161125.3°119.0°
C15C16C17H162125.2°119.4°
C15C16H161H162119.7°121.5°
C15C16C17O17149.6°122.5°
C15C16C17H1797.1°115.5°
H151C15C16C17117.3°94.0°
H151C15C16H1618.0°24.8°
H151C15C16H162117.5°146.3°
H152C15C16C17133.2°142.8°
H152C15C16H161101.5°98.4°
H152C15C16H1628.0°23.0°
C17C16H161H162119.8°122.0°
C16C17O17H17119.9°122.0°
C16C17O17HO758.8°61.4°
H161C16C17O1724.3°3.5°
H161C16C17H17137.6°125.5°
H162C16C17O1785.2°118.1°
H162C16C17H1728.1°3.8°
H17C17O17HO761.2°60.5°
H181C18H182H183117.2°120.0°
H191C19H192H193117.7°120.0°

222926

PDB entries from 2024-07-24

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