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GA4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.54Å1.53Å
C1C10sing1.51Å1.54Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.11Å
C2C3sing1.53Å1.56Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.12Å
C3O31sing1.43Å1.42Å
C3C4sing1.56Å1.60Å
C3H3sing1.09Å1.11Å
O31HO3sing0.97Å0.95Å
C4C5sing1.54Å1.57Å
C4C18sing1.53Å1.52Å
C4C19sing1.52Å1.54Å
C5C6sing1.52Å1.55Å
C5C10sing1.58Å1.55Å
C5H5sing1.09Å1.11Å
C6C7sing1.51Å1.51Å
C6C8sing1.52Å1.56Å
C6H6sing1.09Å1.12Å
C7O71doub1.21Å1.24Å
C7O72sing1.34Å1.36Å
O72HO7sing0.97Å0.95Å
C8C9sing1.55Å1.60Å
C8C14sing1.53Å1.56Å
C8C15sing1.52Å1.56Å
C9C10sing1.50Å1.53Å
C9C11sing1.49Å1.56Å
C9H9sing1.09Å1.11Å
C10O92sing1.46Å1.50Å
C11C12sing1.52Å1.53Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C12C13sing1.53Å1.54Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C13C14sing1.56Å1.54Å
C13C16sing1.52Å1.51Å
C13H13sing1.09Å1.11Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.12Å
C15C16sing1.52Å1.52Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.11Å
C16C17doub1.31Å1.33Å
C17H171sing1.08Å1.10Å
C17H172sing1.08Å1.10Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.11Å
C18H183sing1.09Å1.11Å
C19O91doub1.21Å1.22Å
C19O92sing1.36Å1.41Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C10111.4°108.6°
C2C1H11111.5°109.7°
C2C1H12111.5°109.6°
C1C2C3115.6°112.0°
C1C2H21110.0°108.9°
C1C2H22110.0°109.0°
C10C1H11111.5°109.6°
C10C1H12111.5°109.6°
C1C10C5110.1°106.5°
C1C10C9116.9°120.2°
C1C10O92110.8°111.9°
H11C1H1298.8°109.8°
C3C2H21110.0°109.0°
C3C2H22110.0°109.0°
C2C3O31106.1°109.6°
C2C3C4114.0°109.0°
C2C3H3109.1°109.5°
H21C2H22100.2°108.8°
O31C3C4110.7°109.6°
O31C3H3112.6°109.5°
C3O31HO3106.1°106.8°
C4C3H3104.5°109.6°
C3C4C5108.4°103.3°
C3C4C18110.5°114.4°
C3C4C19105.9°104.4°
C5C4C18116.1°114.4°
C5C4C1999.4°104.8°
C4C5C6119.3°115.8°
C4C5C10100.7°98.1°
C4C5H5108.1°112.9°
C18C4C19115.6°114.4°
C4C18H181110.5°109.5°
C4C18H182111.8°109.5°
C4C18H183111.8°109.5°
C4C19O91133.8°126.3°
C4C19O92109.0°108.1°
C6C5C10106.3°104.5°
C6C5H5102.7°112.3°
C5C6C7110.8°110.3°
C5C6C8107.0°105.8°
C5C6H6111.9°110.0°
C10C5H5120.8°112.1°
C5C10C9104.6°101.4°
C5C10O92101.9°102.7°
C7C6C8114.1°110.3°
C7C6H6104.6°110.2°
C6C7O71130.2°120.0°
C6C7O72113.3°120.0°
C8C6H6108.5°110.2°
C6C8C9105.1°104.4°
C6C8C14110.9°110.7°
C6C8C15120.6°118.7°
O71C7O72116.5°120.0°
C7O72HO7113.3°120.1°
C9C8C14110.5°109.3°
C9C8C15108.6°108.9°
C8C9C10105.6°100.6°
C8C9C11115.3°112.7°
C8C9H9108.8°107.1°
C14C8C15101.1°104.7°
C8C14C13100.0°99.1°
C8C14H141115.9°111.4°
C8C14H142115.9°111.7°
C8C15C16104.4°104.8°
C8C15H151114.1°110.4°
C8C15H152114.1°110.5°
C10C9C11110.7°120.6°
C10C9H9113.4°107.4°
C9C10O92111.2°111.8°
C11C9H9103.3°107.6°
C9C11C12117.1°115.3°
C9C11H111109.5°108.3°
C9C11H112109.5°108.3°
C10O92C19108.8°109.8°
C12C11H111109.4°108.3°
C12C11H112109.4°108.3°
C11C12C13114.9°111.1°
C11C12H121110.2°109.1°
C11C12H122110.2°109.1°
H111C11H112100.6°108.1°
C13C12H121110.2°109.2°
C13C12H122110.2°109.1°
C12C13C14111.7°105.1°
C12C13C16113.5°110.6°
C12C13H13103.0°111.9°
H121C12H122100.0°109.1°
C14C13C16101.6°104.9°
C14C13H13114.6°112.1°
C13C14H141115.9°111.4°
C13C14H142115.8°111.4°
C16C13H13112.9°111.9°
C13C16C15108.0°106.5°
C13C16C17126.3°127.2°
H141C14H14294.5°111.3°
C16C15H151114.1°110.0°
C16C15H152114.1°110.5°
C15C16C17125.7°126.3°
H151C15H15296.4°110.5°
C16C17H171125.6°120.0°
C16C17H172126.3°120.0°
H171C17H172108.1°120.0°
H181C18H182111.9°109.4°
H181C18H183111.9°109.5°
H182C18H18398.6°109.4°
O91C19O92117.2°125.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C10H11125.2°119.8°
C2C1C10H12125.3°119.7°
C2C1H11H12117.3°120.5°
C1C2C3H21125.3°120.7°
C1C2C3H22125.3°120.7°
C1C2H21H22115.8°118.7°
C1C2C3O3187.4°67.6°
C1C2C3C434.6°52.4°
C1C2C3H3151.0°172.2°
C2C1C10C560.5°64.3°
C2C1C10C9179.6°178.6°
C2C1C10O9251.5°47.2°
C10C1H11H12117.4°120.4°
C10C1C2C337.8°50.6°
C10C1C2H21163.1°70.1°
C10C1C2H2287.5°171.3°
C1C10C5C475.4°78.4°
C1C10C5C6159.6°162.2°
C1C10C5C9126.4°126.6°
C1C10C5O92117.6°117.8°
C1C10C5H543.4°40.3°
C1C10C9C8154.7°164.2°
C1C10C9O92128.7°134.2°
C1C10C9C1179.9°71.3°
C1C10C9H935.7°52.4°
C1C10O92C1990.8°79.1°
H11C1C2C3163.1°170.3°
H11C1C2H2171.6°49.6°
H11C1C2H2237.8°69.0°
H11C1C10C5174.3°175.9°
H11C1C10C955.2°61.6°
H11C1C10O9273.7°72.6°
H12C1C2C387.5°69.1°
H12C1C2H2137.8°170.2°
H12C1C2H22147.2°51.6°
H12C1C10C564.8°55.4°
H12C1C10C954.3°58.9°
H12C1C10O92176.8°166.9°
C3C2H21H22115.8°118.8°
C2C3O31C4124.1°119.6°
C2C3O31H3119.3°120.2°
C2C3C4H3119.1°119.8°
C2C3O31HO3180.0°60.4°
C2C3C4C551.3°67.6°
C2C3C4C18179.6°167.4°
C2C3C4C1954.5°41.7°
H21C2C3O3137.9°171.7°
H21C2C3C4159.9°68.3°
H21C2C3H383.7°51.6°
H22C2C3O31147.3°53.0°
H22C2C3C490.7°173.0°
H22C2C3H325.7°67.1°
O31C3C4H3121.4°120.2°
O31C3C4C568.2°52.3°
O31C3C4C1860.1°72.6°
O31C3C4C19174.0°161.6°
C4C3O31HO355.9°180.0°
C3C4C5C18125.1°124.9°
C3C4C5C19110.4°109.0°
C3C4C18C19120.3°120.3°
C3C4C5C6175.6°171.9°
C3C4C5C1068.6°77.6°
C3C4C5H558.9°40.5°
C3C4C18H181180.0°59.3°
C3C4C18H18254.7°179.3°
C3C4C18H18354.7°60.7°
C3C4C19O9194.4°84.7°
C3C4C19O9285.1°95.2°
H3C3O31HO360.6°59.8°
H3C3C4C5170.4°172.5°
H3C3C4C1861.3°47.6°
H3C3C4C1964.5°78.1°
C5C4C18C19115.8°120.9°
C4C5C6C10112.7°106.6°
C4C5C6H5119.5°131.6°
C4C5C10H5118.8°118.8°
C4C5C6C7102.0°125.1°
C4C5C6C8133.1°115.7°
C4C5C6H614.3°3.4°
C4C5C10C9158.2°155.0°
C4C5C10O9242.3°39.4°
C5C4C18H18156.0°178.2°
C5C4C18H18269.3°61.8°
C5C4C18H183178.7°58.2°
C5C4C19O91153.3°167.1°
C5C4C19O9227.3°13.0°
C18C4C5C650.5°47.0°
C18C4C5C10166.3°157.4°
C18C4C5H566.2°84.4°
C4C18H181H182125.2°120.0°
C4C18H181H183125.2°120.1°
C4C18H182H183117.7°120.0°
C18C4C19O9128.4°41.0°
C18C4C19O92152.2°139.0°
C19C4C5C674.0°79.1°
C19C4C5C1041.7°31.4°
C19C4C5H5169.3°149.6°
C4C19O92C101.0°14.1°
C19C4C18H18159.7°61.0°
C19C4C18H182175.0°59.0°
C19C4C18H18365.6°179.0°
C4C19O91O92179.4°180.0°
C6C5C10H5116.2°121.9°
C5C6C7C8120.9°116.5°
C5C6C7H6120.7°121.6°
C5C6C8H6120.9°118.9°
C5C6C7O7146.2°116.6°
C5C6C7O72133.7°63.5°
C5C6C8C90.2°20.1°
C5C6C8C14119.6°97.3°
C5C6C8C15122.7°141.6°
C6C5C10C933.1°35.7°
C6C5C10O9282.8°80.0°
C10C5C6C7145.3°128.3°
C10C5C6C820.3°9.0°
C10C5C6H698.4°110.0°
C5C10C9C832.7°47.3°
C5C10C9O92109.3°108.8°
C5C10C9C11158.0°171.8°
C5C10C9H986.3°64.5°
C5C10O92C1926.4°34.8°
H5C5C6C717.6°6.6°
H5C5C6C8107.4°112.7°
H5C5C6H6133.8°128.3°
H5C5C10C983.0°86.2°
H5C5C10O92161.0°158.1°
C7C6C8H6116.1°121.9°
C6C7O71O72179.8°180.0°
C6C7O72HO7180.0°179.9°
C7C6C8C9123.1°99.2°
C7C6C8C14117.4°143.4°
C7C6C8C150.2°22.4°
C8C6C7O7174.7°0.1°
C8C6C7O72105.5°180.0°
C6C8C9C14119.7°118.4°
C6C8C9C15130.3°127.8°
C6C8C14C15129.0°129.0°
C6C8C9C1020.1°42.7°
C6C8C9C11142.6°172.4°
C6C8C9H9101.9°69.4°
C6C8C14C13176.1°173.1°
C6C8C14H14150.8°69.5°
C6C8C14H14258.6°55.6°
C6C8C15C16152.1°156.4°
C6C8C15H15182.7°85.2°
C6C8C15H15226.8°37.4°
H6C6C7O71166.9°121.8°
H6C6C7O7212.9°58.1°
H6C6C8C9120.7°138.9°
H6C6C8C141.3°21.5°
H6C6C8C15116.3°99.5°
O71C7O72HO70.1°0.0°
C9C8C14C15114.9°116.5°
C8C9C10C11125.4°124.5°
C8C9C10H9119.0°111.8°
C8C9C11H9118.5°117.9°
C8C9C10O9276.6°61.5°
C8C9C11C1221.2°36.9°
C8C9C11H111104.0°158.4°
C8C9C11H112146.5°84.6°
C9C8C14C1367.7°72.5°
C9C8C14H141167.0°44.9°
C9C8C14H14257.5°170.0°
C9C8C15C1686.7°84.4°
C9C8C15H15138.6°34.0°
C9C8C15H152148.1°156.6°
C14C8C9C1099.5°75.7°
C14C8C9C1123.0°54.0°
C14C8C9H9138.4°172.2°
C8C14C13C1274.5°77.1°
C8C14C13H141125.3°117.4°
C8C14C13H142125.3°117.7°
C8C14C13C1646.8°39.5°
C8C14C13H13168.9°161.2°
C8C14H141H142121.6°125.3°
C14C8C15C1629.6°32.4°
C14C8C15H151154.9°150.8°
C14C8C15H15295.6°86.7°
C15C8C9C10150.4°170.5°
C15C8C9C1187.1°59.8°
C15C8C9H928.4°58.4°
C15C8C14C1347.2°44.0°
C8C15C16C130.7°6.6°
C15C8C14H14178.1°161.5°
C15C8C14H142172.4°73.4°
C8C15C16H151125.2°118.7°
C8C15C16H152125.2°119.1°
C8C15H151H152120.0°122.6°
C8C15C16C17179.9°173.5°
C10C9C11H9121.8°123.6°
C10C9C11C12141.0°81.7°
C10C9C11H11115.7°39.8°
C10C9C11H11293.8°156.8°
C9C10O92C19137.3°142.8°
C11C9C10O9248.8°63.0°
C9C11C12H111125.3°121.4°
C9C11C12H112125.3°121.6°
C9C11H111H112115.2°117.2°
C9C11C12C1316.9°42.7°
C9C11C12H121142.1°77.7°
C9C11C12H122108.4°163.1°
H9C9C10O92164.4°173.3°
H9C9C11C1297.3°154.8°
H9C9C11H111137.4°83.8°
H9C9C11H11228.0°33.2°
C10O92C19O91179.5°165.9°
C12C11H111H112115.2°117.2°
C11C12C13H121125.2°120.4°
C11C12C13H122125.3°120.4°
C11C12H121H122116.0°119.2°
C11C12C13C1432.6°63.7°
C11C12C13C1681.5°48.9°
C11C12C13H13156.1°174.4°
H111C11C12C13108.4°164.2°
H111C11C12H12116.8°43.7°
H111C11C12H122126.3°75.4°
H112C11C12C13142.2°78.8°
H112C11C12H12192.6°160.7°
H112C11C12H12216.9°41.6°
C13C12H121H122116.1°119.2°
C12C13C14C16121.3°116.6°
C12C13C14H13116.6°121.7°
C12C13C16H13116.7°125.4°
C12C13C14H141160.2°40.3°
C12C13C14H14250.8°165.2°
C12C13C16C1591.1°91.8°
C12C13C16C1789.5°88.2°
H121C12C13C1492.6°56.7°
H121C12C13C16153.3°169.3°
H121C12C13H1330.9°65.2°
H122C12C13C14157.9°175.9°
H122C12C13C1643.8°71.5°
H122C12C13H1378.6°54.0°
C14C13C16H13123.3°121.8°
C13C14H141H142121.6°125.0°
C14C13C16C1528.9°21.0°
C14C13C16C17150.5°159.0°
C16C13C14H14178.5°157.0°
C16C13C14H142172.1°78.1°
C13C16C15C17179.4°180.0°
C13C16C15H151125.9°125.3°
C13C16C15H152124.5°112.5°
C13C16C17H1710.7°180.0°
C13C16C17H172180.0°0.0°
H13C13C14H14143.6°81.4°
H13C13C14H14265.8°43.5°
H13C13C16C15152.2°142.7°
H13C13C16C1727.2°37.2°
C16C15H151H152120.1°122.2°
C15C16C17H171180.0°0.1°
C15C16C17H1720.7°179.9°
H151C15C16C1754.7°54.7°
H152C15C16C1754.9°67.5°
C16C17H171H172179.4°180.0°
H181C18H182H183117.8°119.9°

222415

PDB entries from 2024-07-10

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