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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.52Å
C20C1sing1.55Å1.53Å
C1C2sing1.53Å1.54Å
C1C10sing1.52Å1.53Å
C9C10sing1.53Å1.54Å
C9C8sing1.54Å1.52Å
OC8sing1.43Å1.42Å
C19C5sing1.53Å1.54Å
C2C3sing1.53Å1.50Å
C10C5sing1.52Å1.59Å
C8C7sing1.51Å1.51Å
C3C4sing1.53Å1.51Å
C3BRsing1.97Å1.97Å
C5C4sing1.53Å1.54Å
C5C6sing1.54Å1.56Å
C12C7doub1.31Å1.32Å
C7C6sing1.51Å1.51Å
C6C13sing1.53Å1.54Å
C13C14sing1.53Å1.53Å
C14O3sing1.43Å1.43Å
C14C15sing1.53Å1.54Å
C15C16sing1.54Å1.53Å
C15C18sing1.51Å1.51Å
C16C17sing1.51Å1.51Å
O1C18doub1.21Å1.23Å
C18Nsing1.34Å1.37Å
C17Nsing1.34Å1.37Å
C17O2doub1.21Å1.23Å
C2H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C9H8sing1.08Å1.10Å
C10H9sing1.12Å1.10Å
C12H10sing1.08Å1.08Å
C12H11sing1.08Å1.08Å
C14H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
NH22sing0.97Å1.00Å
CH23sing1.09Å1.10Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
OH26sing0.97Å0.95Å
C13H27sing1.09Å1.10Å
C13H28sing1.09Å1.10Å
C3H29sing1.09Å1.10Å
O3H30sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C20101.6°107.3°
CC1C2115.9°109.8°
CC1C10120.7°112.4°
C1CH23109.5°109.5°
C1CH24109.5°109.5°
C1CH25109.4°109.5°
C20C1C2100.0°106.5°
C20C1C10101.2°108.4°
C1C20H19109.5°109.5°
C1C20H20109.5°109.5°
C1C20H21109.5°109.5°
C2C1C10112.8°112.0°
C1C2C3113.4°111.2°
C1C2H1108.5°109.1°
C1C2H2108.5°109.1°
C1C10C9112.3°111.7°
C1C10C5111.9°115.6°
C1C10H9108.0°106.3°
C10C9C8111.4°108.7°
C9C10C5109.3°111.0°
C10C9H7109.0°110.3°
C10C9H8109.0°111.8°
C9C10H9107.9°105.7°
C9C8O110.0°109.4°
C9C8C7111.4°108.2°
C9C8H6107.4°109.6°
C8C9H7109.0°107.9°
C8C9H8109.0°109.3°
OC8C7111.7°109.7°
OC8H6108.6°110.0°
C8OH26109.5°114.0°
C19C5C10112.2°112.7°
C19C5C4108.0°109.6°
C19C5C6109.1°107.9°
C5C19H16109.5°109.5°
C5C19H17109.5°109.5°
C5C19H18109.4°109.5°
C2C3C4112.6°109.1°
C2C3BR109.6°109.3°
C3C2H1108.5°109.4°
C3C2H2108.5°109.4°
C2C3H29109.9°110.2°
C10C5C4107.3°110.7°
C10C5C6108.6°107.7°
C5C10H9107.3°105.9°
C8C7C12121.2°120.9°
C8C7C6114.4°118.2°
C7C8H6107.5°109.9°
C4C3BR109.7°109.1°
C3C4C5112.9°110.2°
C3C4H3108.6°108.6°
C3C4H4108.6°109.2°
C4C3H29109.8°110.3°
BRC3H29105.0°108.8°
C4C5C6111.7°108.1°
C5C4H3108.6°110.1°
C5C4H4108.6°109.4°
C5C6C7110.3°108.1°
C5C6C13114.1°109.7°
C5C6H5106.1°109.5°
C12C7C6124.4°120.9°
C7C12H10120.0°120.0°
C7C12H11120.0°120.0°
C7C6C13113.0°109.1°
C7C6H5106.5°110.1°
C6C13C14114.8°109.5°
C13C6H5106.2°110.3°
C6C13H27108.1°109.5°
C6C13H28108.1°109.4°
C13C14O3109.1°109.5°
C13C14C15113.2°109.4°
C13C14H12107.9°109.4°
C14C13H27108.1°109.5°
C14C13H28108.1°109.5°
O3C14C15109.7°109.5°
O3C14H12109.1°109.5°
C14O3H30109.5°114.0°
C14C15C16115.9°110.6°
C14C15C18110.2°110.6°
C15C14H12107.7°109.5°
C14C15H13108.6°110.6°
C16C15C18104.4°103.5°
C15C16C17105.0°103.6°
C16C15H13108.7°110.7°
C15C16H14110.6°110.5°
C15C16H15110.6°110.6°
C15C18O1126.9°125.4°
C15C18N108.1°109.2°
C18C15H13108.9°110.8°
C16C17N108.1°109.2°
C16C17O2126.6°125.4°
C17C16H14110.6°110.6°
C17C16H15110.6°110.6°
O1C18N124.9°125.4°
C18NC17114.1°114.5°
C18NH22122.9°122.7°
NC17O2125.3°125.3°
C17NH22122.9°122.8°
H1C2H2109.5°108.5°
H3C4H4109.5°109.2°
H7C9H8109.5°108.7°
H10C12H11120.0°120.1°
H14C16H15109.5°110.7°
H16C19H17109.5°109.4°
H16C19H18109.5°109.5°
H17C19H18109.4°109.5°
H19C20H20109.4°109.4°
H19C20H21109.5°109.5°
H20C20H21109.5°109.5°
H23CH24109.4°109.5°
H23CH25109.5°109.4°
H24CH25109.5°109.5°
H27C13H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C20C2119.3°117.6°
CC1C20C10124.8°121.7°
CC1C2C10145.1°125.7°
CC1C10C931.5°50.4°
CC1C2C396.7°74.2°
CC1C10C591.8°77.7°
CC1C2H1142.7°165.1°
CC1C2H223.9°46.7°
CC1C10H9150.3°165.2°
CC1C20H19180.0°60.1°
CC1C20H2060.0°180.0°
CC1C20H2160.0°60.0°
C1CH23H24120.0°120.0°
C1CH23H25120.0°120.0°
C1CH24H25120.0°120.0°
C20C1C2C10106.7°118.3°
C20C1C10C979.3°68.1°
C20C1C2C3155.2°169.9°
C20C1C10C5157.4°163.8°
C20C1C2H134.6°49.1°
C20C1C2H284.3°69.3°
C20C1C10H939.6°46.7°
C1C20H19H20120.0°120.0°
C1C20H19H21120.0°120.0°
C1C20H20H21120.0°120.0°
C20C1CH23180.0°67.6°
C20C1CH2460.0°172.4°
C20C1CH2560.0°52.4°
C2C1C10C9174.7°174.7°
C1C2C3H1120.6°120.6°
C1C2C3H2120.6°120.6°
C2C1C10C551.4°46.6°
C1C2C3C450.4°59.9°
C1C2C3BR172.8°179.1°
C1C2H1H2118.2°118.8°
C2C1C10H966.4°70.5°
C2C1C20H1960.8°57.6°
C2C1C20H20179.2°62.4°
C2C1C20H2159.2°177.6°
C2C1CH2372.8°177.0°
C2C1CH2447.2°57.0°
C2C1CH25167.2°63.1°
C1C2C3H2972.3°61.3°
C1C10C9C5124.7°130.5°
C1C10C9H9118.9°115.2°
C1C10C9C8177.0°165.1°
C1C10C5C1963.2°74.4°
C10C1C2C348.4°51.5°
C1C10C5H9118.3°117.4°
C1C10C5C455.3°48.8°
C1C10C5C6176.1°166.7°
C10C1C2H172.2°69.2°
C10C1C2H2169.0°172.4°
C1C10C9H762.7°47.0°
C1C10C9H856.7°74.1°
C10C1C20H1955.1°178.3°
C10C1C20H2064.9°58.3°
C10C1C20H21175.1°61.7°
C10C1CH2369.4°51.5°
C10C1CH24170.6°68.5°
C10C1CH2550.6°171.5°
C10C9C8H7120.3°119.6°
C10C9C8H8120.3°122.3°
C10C9C8O179.2°173.6°
C9C10C5C1961.7°54.0°
C9C10C5H9116.7°114.2°
C10C9C8C754.7°54.1°
C9C10C5C4179.8°177.2°
C9C10C5C658.9°64.9°
C10C9C8H662.8°65.7°
C10C9H7H8119.1°123.0°
C9C8OC7124.3°118.5°
C9C8OH6117.3°120.4°
C8C9C10C558.3°64.4°
C9C8C7H6117.4°119.6°
C9C8C7C12125.6°128.1°
C9C8C7C653.5°52.4°
C8C9H7H8119.1°118.4°
C8C9C10H958.1°49.9°
C9C8OH26180.0°178.6°
OC8C7H6119.1°121.1°
OC8C7C122.1°8.8°
OC8C7C6177.0°171.7°
OC8C9H758.9°66.8°
OC8C9H860.5°51.3°
C19C5C10C4118.5°123.1°
C19C5C10C6120.6°118.9°
C19C5C4C363.0°69.0°
C19C5C4C6119.9°117.4°
C19C5C6C765.9°66.1°
C19C5C6C1362.6°52.8°
C19C5C4H3176.4°50.8°
C19C5C4H457.5°170.9°
C19C5C6H5179.2°173.9°
C19C5C10H9178.4°168.3°
C5C19H16H17120.0°120.0°
C5C19H16H18120.0°120.0°
C5C19H17H18119.9°120.0°
C2C3C4BR122.3°119.3°
C2C3C4H29122.8°121.2°
C2C3BRH29118.0°120.4°
C2C3C4C557.2°62.3°
C3C2H1H2118.2°119.4°
C2C3C4H363.3°177.0°
C2C3C4H4177.7°57.9°
C10C5C4C358.1°55.9°
C10C5C4C6118.9°117.7°
C10C5C6C756.7°55.8°
C10C5C6C13174.9°174.7°
C10C5C4H362.4°175.7°
C10C5C4H4178.6°64.2°
C10C5C6H558.3°64.1°
C5C10C9H762.0°177.5°
C5C10C9H8178.5°56.4°
C10C5C19H16180.0°55.1°
C10C5C19H1760.0°64.8°
C10C5C19H1860.0°175.1°
C8C7C6C555.2°53.3°
C8C7C12C6179.0°179.5°
C8C7C6C13175.8°172.6°
C8C7C6H559.5°66.2°
C7C8C9H765.6°173.8°
C7C8C9H8175.0°68.2°
C8C7C12H10179.0°173.1°
C8C7C12H111.0°6.9°
C7C8OH2655.7°60.1°
C4C3BRH29117.9°120.3°
C3C4C5H3120.5°119.8°
C3C4C5H4120.5°120.1°
C3C4C5C6177.0°173.7°
C4C3C2H170.2°60.6°
C4C3C2H2171.0°179.4°
C3C4H3H4118.5°119.0°
BRC3C4C5179.6°178.3°
BRC3C2H152.2°58.6°
BRC3C2H266.6°60.2°
BRC3C4H359.1°57.6°
BRC3C4H459.9°61.4°
C4C5C6C7174.8°175.4°
C4C5C6C1356.7°65.7°
C5C4H3H4118.4°120.2°
C4C5C6H559.8°55.5°
C4C5C10H963.1°68.6°
C4C5C19H1661.9°68.6°
C4C5C19H1758.1°171.5°
C4C5C19H18178.0°51.4°
C5C4C3H2965.5°58.9°
C5C6C7C12123.9°127.1°
C5C6C7C13129.0°119.3°
C5C6C7H5114.7°119.6°
C5C6C13H5116.5°120.6°
C5C6C13C14157.8°88.9°
C6C5C4H356.5°66.6°
C6C5C4H462.5°53.5°
C6C5C10H957.8°49.3°
C6C5C19H1659.7°173.9°
C6C5C19H17179.7°54.0°
C6C5C19H1860.4°66.0°
C5C6C13H2737.1°31.1°
C5C6C13H2881.3°151.1°
C12C7C6C135.1°7.8°
C12C7C6H5121.4°113.3°
C12C7C8H6116.9°112.3°
C7C12H10H11180.0°180.0°
C7C6C13H5116.5°121.0°
C7C6C13C1475.1°152.8°
C6C7C8H664.0°67.3°
C6C7C12H100.0°7.4°
C6C7C12H11180.0°172.6°
C7C6C13H27164.2°87.2°
C7C6C13H2845.7°32.8°
C6C13C14H27120.8°120.0°
C6C13C14H28120.8°120.0°
C6C13C14O3171.9°41.6°
C6C13C14C1565.5°161.6°
C6C13C14H1253.5°78.4°
C6C13H27H28117.5°120.0°
C13C14O3C15124.6°120.0°
C13C14O3H12117.6°120.0°
C13C14C15H12119.2°120.0°
C13C14C15C1674.7°180.0°
C13C14C15C18167.1°65.9°
C14C13C6H541.4°31.7°
C13C14C15H1347.9°57.1°
C14C13H27H28117.6°120.0°
C13C14O3H30180.0°65.1°
O3C14C15H12118.6°120.1°
O3C14C15C1647.5°60.1°
O3C14C15C1870.7°174.1°
O3C14C15H13170.1°62.8°
O3C14C13H2767.3°161.6°
O3C14C13H2851.1°78.3°
C14C15C16C18121.3°118.4°
C14C15C16H13122.6°122.8°
C14C15C18H13119.0°122.9°
C14C15C16C17125.9°118.5°
C14C15C18O151.5°61.6°
C14C15C18N128.8°118.5°
C14C15C16H14114.8°123.0°
C14C15C16H156.6°0.1°
C15C14C13H2755.2°78.4°
C15C14C13H28173.7°41.6°
C15C14O3H3055.4°54.9°
C16C15C18H13115.9°118.7°
C15C16C17H14119.3°118.5°
C15C16C17H15119.3°118.6°
C16C15C18O1176.5°180.0°
C16C15C18N3.8°0.1°
C15C16C17N4.0°0.0°
C15C16C17O2175.2°179.9°
C16C15C14H12166.1°60.0°
C15C16H14H15122.1°122.9°
C18C15C16C174.6°0.1°
C15C18O1N179.7°179.9°
C15C18NC171.4°0.1°
C18C15C14H1248.0°54.1°
C18C15C16H14123.9°118.6°
C18C15C16H15114.7°118.5°
C15C18NH22178.5°179.9°
C16C17NC181.7°0.1°
C16C17NO2179.2°180.0°
C17C16C15H13111.5°118.7°
C17C16H14H15122.0°123.0°
C16C17NH22178.3°179.9°
O1C18NC17178.9°180.0°
O1C18C15H1367.6°61.4°
O1C18NH221.2°0.2°
C18NC17H22180.0°179.8°
C18NC17O2177.5°180.0°
NC18C15H13112.1°118.5°
NC17C16H14123.3°118.5°
NC17C16H15115.3°118.5°
O2C17C16H1455.9°61.5°
O2C17C16H1565.5°61.5°
O2C17NH222.5°0.2°
H1C2C3H29167.1°178.1°
H2C2C3H2948.3°59.3°
H3C4C3H29174.0°61.8°
H4C4C3H2955.0°179.1°
H5C6C13H2779.4°151.7°
H5C6C13H28162.2°88.3°
H6C8C9H7176.9°53.9°
H6C8C9H857.5°172.0°
H6C8OH2662.7°61.0°
H7C9C10H9178.4°68.2°
H8C9C10H962.2°170.7°
H12C14C15H1371.3°177.1°
H12C14C13H27174.3°41.6°
H12C14C13H2867.2°161.7°
H12C14O3H3062.4°175.0°
H13C15C16H147.8°0.2°
H13C15C16H15129.2°122.8°
H16C19H17H18120.0°120.0°
H19C20H20H21120.0°120.0°
H23CH24H25120.0°119.9°

248335

PDB entries from 2026-01-28

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