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CLR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C1C10sing1.53Å1.55Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.11Å
C2C3sing1.53Å1.54Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.11Å
C3C4sing1.53Å1.54Å
C3O1sing1.43Å1.42Å
C3H3sing1.09Å1.12Å
C4C5sing1.52Å1.52Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.12Å
C5C6doub1.30Å1.35Å
C5C10sing1.50Å1.54Å
C6C7sing1.50Å1.53Å
C6H6sing1.08Å1.10Å
C7C8sing1.53Å1.56Å
C7H71sing1.09Å1.12Å
C7H72sing1.09Å1.12Å
C8C9sing1.53Å1.56Å
C8C14sing1.52Å1.51Å
C8H8sing1.09Å1.12Å
C9C10sing1.52Å1.55Å
C9C11sing1.53Å1.54Å
C9H9sing1.09Å1.11Å
C10C19sing1.53Å1.56Å
C11C12sing1.54Å1.54Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C12C13sing1.53Å1.56Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.11Å
C13C14sing1.55Å1.56Å
C13C17sing1.53Å1.56Å
C13C18sing1.53Å1.54Å
C14C15sing1.53Å1.57Å
C14H14sing1.09Å1.11Å
C15C16sing1.55Å1.59Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.11Å
C16C17sing1.55Å1.60Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
C17C20sing1.53Å1.53Å
C17H17sing1.09Å1.11Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.12Å
C18H183sing1.09Å1.12Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.12Å
C19H193sing1.09Å1.12Å
C20C21sing1.53Å1.55Å
C20C22sing1.53Å1.57Å
C20H20sing1.09Å1.12Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.12Å
C21H213sing1.09Å1.11Å
C22C23sing1.53Å1.53Å
C22H221sing1.09Å1.11Å
C22H222sing1.09Å1.11Å
C23C24sing1.53Å1.57Å
C23H231sing1.09Å1.11Å
C23H232sing1.09Å1.12Å
C24C25sing1.53Å1.55Å
C24H241sing1.09Å1.12Å
C24H242sing1.09Å1.11Å
C25C26sing1.53Å1.55Å
C25C27sing1.53Å1.55Å
C25H25sing1.09Å1.11Å
C26H261sing1.09Å1.11Å
C26H262sing1.09Å1.11Å
C26H263sing1.09Å1.11Å
C27H271sing1.09Å1.11Å
C27H272sing1.09Å1.11Å
C27H273sing1.09Å1.11Å
O1H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C10113.7°109.3°
C2C1H11110.7°109.4°
C2C1H12110.6°109.4°
C1C2C3112.5°109.7°
C1C2H21111.1°109.5°
C1C2H22111.1°109.4°
C10C1H11110.7°109.6°
C10C1H12110.7°109.5°
C1C10C5110.2°109.3°
C1C10C9107.9°110.4°
C1C10C19110.1°108.1°
H11C1H1299.6°109.5°
C3C2H21111.1°109.5°
C3C2H22111.1°109.5°
C2C3C4107.8°109.5°
C2C3O1114.3°109.4°
C2C3H3108.3°109.5°
H21C2H2299.2°109.3°
C4C3O1112.5°109.5°
C4C3H3110.4°109.5°
C3C4C5115.2°108.4°
C3C4H41110.1°109.7°
C3C4H42110.1°109.7°
O1C3H3103.4°109.4°
C3O1H1114.3°106.8°
C5C4H41110.1°109.7°
C5C4H42110.1°109.7°
C4C5C6119.2°118.3°
C4C5C10115.0°117.9°
H41C4H42100.1°109.7°
C6C5C10125.8°123.9°
C5C6C7122.6°123.0°
C5C6H6111.9°118.5°
C5C10C9108.7°113.9°
C5C10C19110.5°108.2°
C7C6H6125.5°118.5°
C6C7C8111.3°109.2°
C6C7H71111.5°109.5°
C6C7H72111.6°109.6°
C8C7H71111.5°109.5°
C8C7H72111.5°109.5°
C7C8C9110.1°109.0°
C7C8C14107.6°109.5°
C7C8H8110.3°110.2°
H71C7H7298.8°109.6°
C9C8C14109.4°107.6°
C9C8H8108.5°110.2°
C8C9C10111.7°110.5°
C8C9C11112.6°112.5°
C8C9H9107.2°107.2°
C14C8H8111.0°110.2°
C8C14C13113.9°107.9°
C8C14C15116.7°115.8°
C8C14H1499.7°110.3°
C10C9C11113.8°109.7°
C10C9H9105.9°108.3°
C9C10C19109.4°106.7°
C11C9H9104.9°108.4°
C9C11C12113.5°111.8°
C9C11H111110.7°109.0°
C9C11H112110.7°109.0°
C10C19H191112.0°109.4°
C10C19H192110.1°109.4°
C10C19H193112.0°109.5°
C12C11H111110.7°109.0°
C12C11H112110.7°109.0°
C11C12C13109.5°108.3°
C11C12H121112.2°109.9°
C11C12H122112.2°109.9°
H111C11H11299.6°109.0°
C13C12H121112.2°107.4°
C13C12H122112.2°111.3°
C12C13C14105.4°108.0°
C12C13C17114.9°117.7°
C12C13C18114.2°109.9°
H121C12H12298.2°110.0°
C14C13C1798.4°103.2°
C14C13C18111.6°107.4°
C13C14C15106.0°101.8°
C13C14H14111.8°110.4°
C17C13C18111.0°110.1°
C13C17C16103.2°105.4°
C13C17C20116.5°110.3°
C13C17H17109.1°110.3°
C13C18H181110.5°109.5°
C13C18H182114.2°109.5°
C13C18H183110.5°109.5°
C15C14H14108.7°110.3°
C14C15C16102.8°102.9°
C14C15H151114.7°110.8°
C14C15H152114.8°110.6°
C16C15H151114.8°110.8°
C16C15H152114.7°110.7°
C15C16C17105.5°106.4°
C15C16H161113.7°110.0°
C15C16H162113.7°110.1°
H151C15H15295.7°110.8°
C17C16H161113.7°110.1°
C17C16H162113.7°110.1°
C16C17C20109.5°110.2°
C16C17H17116.2°110.3°
H161C16H16296.8°110.0°
C20C17H17102.8°110.3°
C17C20C21115.6°109.4°
C17C20C22104.0°109.5°
C17C20H20108.7°109.5°
H181C18H182110.5°109.5°
H181C18H18399.8°109.5°
H182C18H183110.5°109.4°
H191C19H192112.0°109.5°
H191C19H19398.4°109.5°
H192C19H193112.0°109.5°
C21C20C22108.0°109.4°
C21C20H20104.7°109.4°
C20C21H211110.0°109.5°
C20C21H212115.6°109.5°
C20C21H213110.0°109.5°
C22C20H20116.2°109.5°
C20C22C23112.6°109.5°
C20C22H221111.0°109.5°
C20C22H222111.1°109.4°
H211C21H212110.0°109.5°
H211C21H213100.2°109.4°
H212C21H213110.0°109.5°
C23C22H221111.0°109.4°
C23C22H222111.0°109.5°
C22C23C24103.9°109.5°
C22C23H231114.3°109.4°
C22C23H232114.3°109.5°
H221C22H22299.3°109.4°
C24C23H231114.3°109.4°
C24C23H232114.3°109.5°
C23C24C25109.2°109.5°
C23C24H241112.3°109.4°
C23C24H242112.3°109.5°
H231C23H23296.1°109.5°
C25C24H241112.3°109.4°
C25C24H242112.3°109.5°
C24C25C26107.1°109.5°
C24C25C27114.4°109.5°
C24C25H25109.7°109.5°
H241C24H24298.1°109.4°
C26C25C27114.6°109.4°
C26C25H25109.5°109.4°
C25C26H261113.1°109.6°
C25C26H262107.1°109.4°
C25C26H263113.1°109.5°
C27C25H25101.4°109.5°
C25C27H271110.4°109.4°
C25C27H272114.4°109.4°
C25C27H273110.4°109.5°
H261C26H262113.1°109.4°
H261C26H26397.4°109.5°
H262C26H263113.1°109.4°
H271C27H272110.4°109.5°
H271C27H27399.9°109.5°
H272C27H273110.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C10H11125.3°119.9°
C2C1C10H12125.3°119.9°
C2C1H11H12116.5°120.0°
C1C2C3H21125.3°120.1°
C1C2C3H22125.3°120.0°
C1C2H21H22117.0°119.8°
C1C2C3C456.1°63.7°
C1C2C3O1178.1°176.3°
C1C2C3H363.4°56.4°
C2C1C10C549.5°54.4°
C2C1C10C9168.1°179.6°
C2C1C10C1972.7°63.2°
C10C1H11H12116.6°120.2°
C10C1C2C357.5°62.8°
C10C1C2H21177.2°177.1°
C10C1C2H2267.8°57.3°
C1C10C5C445.3°51.4°
C1C10C5C6134.9°128.8°
C1C10C5C9118.1°124.0°
C1C10C5C19121.9°117.5°
C1C10C9C8166.5°158.5°
C1C10C9C19119.7°117.2°
C1C10C9C1164.6°76.8°
C1C10C9H950.1°41.4°
C1C10C19H19154.7°67.4°
C1C10C19H192180.0°172.6°
C1C10C19H19354.7°52.6°
H11C1C2C3177.2°57.2°
H11C1C2H2152.0°62.9°
H11C1C2H2257.5°177.3°
H11C1C10C5174.8°65.6°
H11C1C10C966.6°60.5°
H11C1C10C1952.6°176.8°
H12C1C2C367.8°177.2°
H12C1C2H2157.5°57.1°
H12C1C2H22166.9°62.7°
H12C1C10C575.7°174.3°
H12C1C10C942.8°59.7°
H12C1C10C19162.1°56.7°
C3C2H21H22117.0°119.9°
C2C3C4O1126.9°120.0°
C2C3C4H3118.2°120.1°
C2C3O1H3117.5°120.0°
C2C3C4C552.6°55.2°
C2C3C4H41177.8°174.9°
C2C3C4H4272.7°64.5°
C2C3O1H1180.0°180.0°
H21C2C3C4178.7°176.2°
H21C2C3O152.8°56.2°
H21C2C3H361.8°63.7°
H22C2C3C469.2°56.4°
H22C2C3O156.6°63.6°
H22C2C3H3171.3°176.5°
C4C3O1H3119.1°120.0°
C3C4C5H41125.2°119.7°
C3C4C5H42125.3°119.7°
C3C4H41H42115.9°120.6°
C3C4C5C6130.8°128.6°
C3C4C5C1049.4°51.6°
C4C3O1H156.6°60.0°
O1C3C4C5179.5°175.2°
O1C3C4H4155.3°65.1°
O1C3C4H4254.2°55.5°
H3C3C4C565.6°64.9°
H3C3C4H4159.6°54.8°
H3C3C4H42169.1°175.4°
H3C3O1H162.5°60.0°
C5C4H41H42115.9°120.5°
C4C5C6C10179.8°179.8°
C4C5C6C7178.8°179.7°
C4C5C6H61.2°0.3°
C4C5C10C9163.3°175.3°
C4C5C10C1976.7°66.2°
H41C4C5C65.5°8.8°
H41C4C5C10174.6°171.3°
H42C4C5C6104.0°111.7°
H42C4C5C1075.9°68.1°
C5C6C7H6180.0°180.0°
C5C6C7C816.0°26.5°
C5C6C7H71109.3°93.4°
C5C6C7H72141.3°146.4°
C6C5C10C916.8°4.8°
C6C5C10C19103.2°113.7°
C10C5C6C71.4°0.5°
C10C5C6H6178.6°179.5°
C5C10C9C847.0°35.1°
C5C10C9C19120.7°119.4°
C5C10C9C11175.9°159.8°
C5C10C9H969.4°82.1°
C5C10C19H19167.3°50.9°
C5C10C19H19258.0°69.1°
C5C10C19H193176.7°170.9°
C6C7C8H71125.3°119.9°
C6C7C8H72125.3°120.0°
C6C7H71H72117.5°120.2°
C6C7C8C945.5°55.6°
C6C7C8C14164.6°173.1°
C6C7C8H874.2°65.5°
H6C6C7C8164.0°153.5°
H6C6C7H7170.7°86.6°
H6C6C7H7238.8°33.5°
C8C7H71H72117.4°120.1°
C7C8C9C14118.0°118.7°
C7C8C9H8120.8°121.1°
C7C8C14H8120.8°121.4°
C7C8C9C1063.9°61.3°
C7C8C9C11166.6°175.7°
C7C8C9H951.7°56.6°
C7C8C14C13177.2°178.1°
C7C8C14C1558.8°64.8°
C7C8C14H1458.0°61.3°
H71C7C8C979.7°64.2°
H71C7C8C1439.4°53.2°
H71C7C8H8160.6°174.6°
H72C7C8C9170.8°175.6°
H72C7C8C1470.1°66.9°
H72C7C8H851.1°54.5°
C9C8C14H8119.7°120.2°
C8C9C10C11128.9°124.7°
C8C9C10H9116.4°117.2°
C8C9C11H9116.2°118.4°
C8C9C10C1973.8°84.2°
C8C9C11C1250.3°53.3°
C8C9C11H11174.9°173.9°
C8C9C11H112175.6°67.3°
C9C8C14C1357.6°63.5°
C9C8C14C15178.3°176.8°
C9C8C14H1461.6°57.1°
C14C8C9C10178.1°180.0°
C14C8C9C1148.6°57.0°
C14C8C9H966.3°62.1°
C8C14C13C1263.9°68.1°
C8C14C13C15129.7°122.3°
C8C14C13H14112.1°120.6°
C8C14C13C17177.3°166.6°
C8C14C13C1860.6°50.3°
C8C14C15H14111.7°126.2°
C8C14C15C16158.3°158.2°
C8C14C15H15176.5°83.3°
C8C14C15H15233.0°39.9°
H8C8C9C1056.9°59.8°
H8C8C9C1172.7°63.2°
H8C8C9H9172.5°177.7°
H8C8C14C1362.1°56.7°
H8C8C14C1562.0°56.6°
H8C8C14H14178.7°177.3°
C10C9C11H9115.3°118.1°
C10C9C11C12178.8°176.8°
C10C9C11H11153.5°62.6°
C10C9C11H11255.9°56.2°
C9C10C19H191173.1°173.9°
C9C10C19H19261.6°53.9°
C9C10C19H19363.7°66.1°
C11C9C10C1955.2°40.4°
C9C11C12H111125.3°120.5°
C9C11C12H112125.3°120.6°
C9C11H111H112116.6°118.9°
C9C11C12C1357.2°55.1°
C9C11C12H121177.5°62.0°
C9C11C12H12268.1°176.8°
H9C9C10C19169.8°158.6°
H9C9C11C1265.9°65.1°
H9C9C11H111168.8°55.5°
H9C9C11H11259.4°174.3°
C10C19H191H192124.2°119.9°
C10C19H191H193117.9°120.0°
C10C19H192H193125.3°120.0°
C12C11H111H112116.6°118.9°
C11C12C13H121125.3°118.7°
C11C12C13H122125.3°120.9°
C11C12H121H122118.1°121.1°
C11C12C13C1460.5°62.1°
C11C12C13C17167.7°178.3°
C11C12C13C1862.4°54.7°
H111C11C12C1368.1°175.6°
H111C11C12H12157.2°58.6°
H111C11C12H122166.6°62.6°
H112C11C12C13177.5°65.5°
H112C11C12H12152.3°177.4°
H112C11C12H12257.2°56.3°
C13C12H121H122118.1°121.2°
C12C13C14C17118.9°125.3°
C12C13C14C18124.5°118.4°
C12C13C17C18131.5°126.9°
C12C13C14C15166.5°169.6°
C12C13C14H1448.2°52.5°
C12C13C17C16156.7°147.9°
C12C13C17C2083.3°93.1°
C12C13C17H1732.5°28.9°
C12C13C18H18154.7°54.3°
C12C13C18H182180.0°174.3°
C12C13C18H18354.7°65.8°
H121C12C13C14174.2°56.6°
H121C12C13C1767.1°59.7°
H121C12C13C1862.9°173.3°
H122C12C13C1464.8°177.0°
H122C12C13C1742.4°60.8°
H122C12C13C18172.3°66.2°
C14C13C17C18117.1°114.3°
C13C14C15H14120.3°117.1°
C13C14C15C1630.2°41.5°
C13C14C15H151155.5°160.0°
C13C14C15H15295.0°76.8°
C14C13C17C1645.3°29.1°
C14C13C17C20165.3°148.1°
C14C13C17H1778.9°89.8°
C14C13C18H18164.7°62.9°
C14C13C18H18260.6°57.2°
C14C13C18H183174.2°177.1°
C17C13C14C1547.6°44.2°
C17C13C14H1470.7°72.8°
C13C17C16C1528.3°3.5°
C13C17C16C20124.7°119.0°
C13C17C16H17119.4°119.0°
C13C17C16H161153.5°122.6°
C13C17C16H16297.0°115.9°
C13C17C20H17119.3°122.1°
C17C13C18H181173.4°174.6°
C17C13C18H18248.1°54.5°
C17C13C18H18377.1°65.4°
C13C17C20C2158.2°61.4°
C13C17C20C22176.4°178.7°
C13C17C20H2059.2°58.6°
C18C13C14C1569.0°72.0°
C18C13C14H14172.7°170.9°
C18C13C17C1671.8°85.2°
C18C13C17C2048.2°33.7°
C18C13C17H17164.0°155.8°
C13C18H181H182127.3°120.0°
C13C18H181H183116.4°120.0°
C13C18H182H183125.3°120.0°
C14C15C16H151125.2°118.5°
C14C15C16H152125.3°118.2°
C14C15H151H152120.7°123.1°
C14C15C16C170.9°23.8°
C14C15C16H161124.4°95.4°
C14C15C16H162126.2°143.2°
H14C14C15C1690.1°75.7°
H14C14C15H15135.2°42.8°
H14C14C15H152144.7°166.1°
C16C15H151H152120.6°123.3°
C15C16C17H161125.3°119.2°
C15C16C17H162125.3°119.4°
C15C16H161H162119.6°121.5°
C15C16C17C20153.0°122.5°
C15C16C17H1791.1°115.5°
H151C15C16C17126.2°142.3°
H151C15C16H1610.9°23.1°
H151C15C16H162108.6°98.3°
H152C15C16C17124.4°94.4°
H152C15C16H161110.4°146.4°
H152C15C16H1620.9°24.9°
C17C16H161H162119.6°121.5°
C16C17C20H17124.1°122.0°
C16C17C20C21174.7°177.3°
C16C17C20C2267.0°62.7°
C16C17C20H2057.4°57.3°
H161C16C17C2081.7°118.4°
H161C16C17H1734.2°3.6°
H162C16C17C2027.7°3.1°
H162C16C17H17143.6°125.1°
C17C20C21C22116.0°120.0°
C17C20C21H20119.6°120.0°
C17C20C22H20119.4°120.1°
C17C20C21H21154.8°60.0°
C17C20C21H212180.0°60.0°
C17C20C21H21354.7°179.9°
C17C20C22C23170.7°179.9°
C17C20C22H22164.0°60.0°
C17C20C22H22245.5°60.0°
H17C17C20C2161.1°60.7°
H17C17C20C2257.1°59.2°
H17C17C20H20178.5°179.3°
H181C18H182H183109.5°120.0°
H191C19H192H193109.5°120.1°
C21C20C22H20117.3°119.9°
C20C21H211H212128.4°120.0°
C20C21H211H213115.8°120.0°
C20C21H212H213125.3°120.0°
C21C20C22C2366.0°60.0°
C21C20C22H22159.3°60.0°
C21C20C22H222168.8°180.0°
C22C20C21H211170.7°60.1°
C22C20C21H21264.0°179.9°
C22C20C21H21361.2°59.9°
C20C22C23H221125.3°120.0°
C20C22C23H222125.3°120.0°
C20C22H221H222116.9°120.0°
C20C22C23C24167.2°180.0°
C20C22C23H23142.0°60.0°
C20C22C23H23267.5°60.0°
H20C20C21H21164.8°180.0°
H20C20C21H21260.4°60.0°
H20C20C21H213174.3°60.0°
H20C20C22C2351.3°60.0°
H20C20C22H221176.6°179.9°
H20C20C22H22274.0°60.1°
H211C21H212H213109.4°120.0°
C23C22H221H222116.9°120.0°
C22C23C24H231125.3°120.0°
C22C23C24H232125.2°120.0°
C22C23H231H232120.2°120.0°
C22C23C24C25172.2°180.0°
C22C23C24H24162.5°60.0°
C22C23C24H24246.9°59.9°
H221C22C23C2467.5°60.0°
H221C22C23H231167.2°180.0°
H221C22C23H23257.8°60.0°
H222C22C23C2442.0°59.9°
H222C22C23H23183.3°60.0°
H222C22C23H232167.2°180.0°
C24C23H231H232120.2°120.0°
C23C24C25H241125.3°120.0°
C23C24C25H242125.3°120.1°
C23C24H241H242118.2°120.0°
C23C24C25C2658.9°180.0°
C23C24C25C27173.1°60.0°
C23C24C25H2559.9°60.0°
H231C23C24C2546.9°60.0°
H231C23C24H241172.2°NaN°
H231C23C24H24278.4°60.0°
H232C23C24C2562.6°60.0°
H232C23C24H24162.7°60.0°
H232C23C24H242172.1°179.9°
C25C24H241H242118.2°120.0°
C24C25C26C27128.0°120.0°
C24C25C26H25118.9°120.0°
C24C25C27H25118.0°120.0°
C24C25C26H26154.7°179.9°
C24C25C26H262180.0°60.0°
C24C25C26H26354.7°60.0°
C24C25C27H27154.7°60.0°
C24C25C27H272180.0°60.0°
C24C25C27H27354.8°179.9°
H241C24C25C2666.4°60.0°
H241C24C25C2761.7°60.0°
H241C24C25H25174.8°180.0°
H242C24C25C26175.9°60.0°
H242C24C25C2747.8°180.0°
H242C24C25H2565.4°60.0°
C26C25C27H25117.8°119.9°
C25C26H261H262122.0°120.0°
C25C26H261H263119.0°120.1°
C25C26H262H263125.3°120.0°
C26C25C27H27169.5°60.0°
C26C25C27H27255.8°179.9°
C26C25C27H273178.9°60.0°
C27C25C26H261177.3°60.0°
C27C25C26H26252.0°180.0°
C27C25C26H26373.3°60.1°
C25C27H271H272127.5°119.9°
C25C27H271H273116.3°120.0°
C25C27H272H273125.3°120.0°
H25C25C26H26164.2°59.9°
H25C25C26H26261.1°60.0°
H25C25C26H263173.6°180.0°
H25C25C27H271172.7°180.0°
H25C25C27H27262.0°60.0°
H25C25C27H27363.2°60.0°
H261C26H262H263109.5°120.0°
H271C27H272H273109.5°120.1°

219140

PDB entries from 2024-05-01

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