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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CO3sing1.43Å1.42Å
COsing1.42Å1.40Å
CC32sing1.53Å1.55Å
CC31sing1.54Å1.55Å
OC1sing1.36Å1.34Å
C1C2sing1.50Å1.50Å
C1O37doub1.22Å1.21Å
C2C38sing1.51Å1.50Å
C2H2sing1.09Å1.10Å
C2O3sing1.42Å1.46Å
C4C5doub1.34Å1.43Å
C4C20sing1.48Å1.52Å
C4C9sing1.53Å1.63Å
C5C6sing1.52Å1.56Å
C5H5sing1.08Å1.08Å
C6C7sing1.55Å1.58Å
C6C10sing1.57Å1.58Å
C6H6sing1.09Å1.10Å
C7C8sing1.57Å1.60Å
C7H71sing1.09Å1.10Å
C7H72sing1.10Å1.10Å
C8C14sing1.54Å1.58Å
C8C11sing1.50Å1.55Å
C8C9sing1.58Å1.70Å
C9C10sing1.56Å1.52Å
C9C23sing1.50Å1.62Å
C10C26sing1.55Å1.57Å
C10C13sing1.56Å1.63Å
C11H11sing1.10Å1.08Å
C11O12doub1.23Å1.24Å
C13H131sing1.10Å1.10Å
C13H132sing1.10Å1.10Å
C13C15sing1.52Å1.59Å
C14C18sing1.52Å1.51Å
C14C15sing1.53Å1.60Å
C14H14sing1.10Å1.10Å
C15H15sing1.10Å1.10Å
C15C16sing1.53Å1.54Å
C16H16sing1.10Å1.10Å
C16C19sing1.53Å1.55Å
C16C17sing1.55Å1.55Å
C17H171sing1.10Å1.10Å
C17H172sing1.10Å1.10Å
C17C18sing1.54Å1.54Å
C18H181sing1.09Å1.10Å
C18H182sing1.10Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C20H20sing1.10Å1.10Å
C20C21sing1.53Å1.55Å
C20C22sing1.53Å1.55Å
C21H211sing1.10Å1.10Å
C21H212sing1.10Å1.10Å
C21H213sing1.10Å1.10Å
C22H221sing1.10Å1.10Å
C22H222sing1.10Å1.10Å
C22H223sing1.10Å1.10Å
C23O24doub1.22Å1.28Å
C23O25sing1.36Å1.28Å
O25H25sing0.98Å0.95Å
C26O27sing1.41Å1.43Å
C26H261sing1.08Å1.10Å
C26H262sing1.08Å1.10Å
O27C28sing1.43Å1.46Å
C28C32sing1.53Å1.53Å
C28H28sing1.10Å1.10Å
C28O29sing1.43Å1.49Å
O29C30sing1.43Å1.42Å
C30H30sing1.10Å1.10Å
C30C34sing1.53Å1.51Å
C30C31sing1.54Å1.52Å
C31H31sing1.10Å1.10Å
C31O35sing1.42Å1.44Å
C32H32sing1.10Å1.10Å
C32O33sing1.43Å1.41Å
O33H33sing0.97Å0.95Å
C34H341sing1.09Å1.10Å
C34H342sing1.09Å1.10Å
C34H343sing1.09Å1.10Å
O35C36sing1.42Å1.43Å
C36H361sing1.09Å1.10Å
C36H362sing1.09Å1.10Å
C36H363sing1.09Å1.10Å
C38C39sing1.53Å1.49Å
C38H381sing1.10Å1.10Å
C38H382sing1.10Å1.10Å
C39C40sing1.53Å1.51Å
C39H391sing1.10Å1.10Å
C39H392sing1.10Å1.10Å
C40C41sing1.53Å1.47Å
C40H401sing1.10Å1.10Å
C40H402sing1.10Å1.10Å
C41C42sing1.53Å1.50Å
C41H411sing1.10Å1.10Å
C41H412sing1.10Å1.10Å
C42C43sing1.53Å1.51Å
C42H421sing1.10Å1.10Å
C42H422sing1.10Å1.10Å
C43C44sing1.53Å1.54Å
C43H431sing1.10Å1.10Å
C43H432sing1.10Å1.10Å
C44C45sing1.51Å1.54Å
C44H441sing1.10Å1.10Å
C44H442sing1.10Å1.10Å
C45O46sing1.36Å1.26Å
C45O47doub1.22Å1.29Å
O46H46sing0.98Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3CO107.5°109.6°
O3CC32111.3°108.3°
O3CC31110.0°109.5°
CO3C2109.7°107.6°
OCC32109.1°109.7°
OCC31110.2°109.9°
COC1110.1°107.9°
C32CC31108.7°109.8°
CC32C28108.5°110.3°
CC32H32108.1°111.4°
CC32O33111.5°109.0°
CC31C30108.6°110.8°
CC31H31109.7°109.2°
CC31O35109.8°110.2°
OC1C2110.4°109.6°
OC1O37122.0°124.7°
C2C1O37127.6°125.7°
C1C2C38108.1°112.0°
C1C2H2115.7°109.8°
C1C2O3101.3°105.2°
C38C2H2107.5°111.7°
C38C2O3110.3°109.5°
C2C38C39119.9°113.9°
C2C38H381106.1°108.7°
C2C38H382103.7°109.8°
H2C2O3113.6°108.5°
C5C4C20129.2°128.0°
C5C4C9101.8°106.8°
C4C5C6103.3°106.9°
C4C5H5128.4°127.0°
C20C4C9129.0°125.2°
C4C20H20106.7°108.7°
C4C20C21112.6°110.8°
C4C20C22110.5°111.4°
C4C9C8111.3°109.6°
C4C9C10102.7°100.5°
C4C9C23108.9°112.7°
C6C5H5128.3°126.0°
C5C6C7106.0°102.5°
C5C6C10103.0°100.0°
C5C6H6117.1°114.3°
C7C6C10113.6°106.1°
C7C6H6107.2°116.0°
C6C7C897.7°102.1°
C6C7H71113.6°112.2°
C6C7H72116.0°111.6°
C10C6H6110.1°116.0°
C6C10C986.4°90.8°
C6C10C26119.0°112.6°
C6C10C13118.3°118.2°
C8C7H71113.6°114.2°
C8C7H72116.0°112.0°
C7C8C14115.0°111.8°
C7C8C11109.9°111.5°
C7C8C999.5°101.0°
H71C7H72100.8°105.0°
C14C8C11111.4°110.5°
C14C8C9106.2°108.9°
C8C14C18121.4°120.3°
C8C14C15110.7°110.9°
C8C14H1497.3°108.1°
C11C8C9114.5°112.8°
C8C11H11116.4°115.6°
C8C11O12127.2°123.5°
C8C9C10103.3°100.1°
C8C9C23111.1°117.4°
C10C9C23119.1°114.6°
C9C10C26122.3°116.3°
C9C10C13114.9°113.3°
C9C23O24116.2°125.1°
C9C23O25118.6°110.7°
C26C10C1397.7°105.7°
C10C26O27111.0°107.6°
C10C26H261108.9°108.6°
C10C26H262108.6°108.7°
C10C13H131108.4°109.6°
C10C13H132107.6°107.9°
C10C13C15112.9°114.7°
H11C11O12116.4°120.9°
H131C13H132112.1°106.4°
H131C13C15108.3°108.7°
H132C13C15107.6°109.2°
C13C15C14113.1°111.2°
C13C15H1597.6°105.8°
C13C15C16119.1°121.9°
C18C14C1597.9°100.6°
C18C14H14110.2°106.4°
C14C18C17103.6°103.1°
C14C18H181111.5°112.6°
C14C18H182112.7°111.5°
C15C14H14121.0°110.1°
C14C15H15116.4°110.6°
C14C15C16101.4°103.2°
H15C15C16110.1°103.7°
C15C16H16111.2°109.8°
C15C16C19114.6°115.2°
C15C16C17101.8°102.7°
H16C16C19103.9°107.7°
H16C16C17116.3°109.5°
C19C16C17109.4°111.7°
C16C19H191109.5°110.6°
C16C19H192109.4°110.5°
C16C19H193109.5°110.5°
C16C17H171110.1°111.0°
C16C17H172110.5°111.5°
C16C17C18107.7°106.9°
H171C17H172108.1°107.3°
H171C17C18110.1°109.9°
H172C17C18110.5°110.3°
C17C18H181111.5°111.5°
C17C18H182112.7°110.1°
H181C18H182105.1°108.0°
H191C19H192109.5°108.4°
H191C19H193109.5°108.4°
H192C19H193109.5°108.4°
H20C20C21107.5°108.0°
H20C20C22109.7°107.6°
C21C20C22109.7°110.3°
C20C21H211109.5°111.3°
C20C21H212109.5°110.8°
C20C21H213109.5°111.2°
C20C22H221109.5°110.7°
C20C22H222109.4°111.4°
C20C22H223109.5°111.1°
H211C21H212109.4°107.8°
H211C21H213109.4°107.9°
H212C21H213109.5°107.6°
H221C22H222109.5°107.9°
H221C22H223109.4°107.7°
H222C22H223109.5°107.9°
O24C23O25125.2°124.3°
C23O25H25109.5°111.9°
O27C26H261109.0°110.4°
O27C26H262108.6°110.4°
C26O27C28110.3°112.1°
H261C26H262110.7°111.0°
O27C28C32110.6°108.5°
O27C28H28107.2°107.1°
O27C28O29111.7°110.5°
C32C28H28109.6°111.3°
C32C28O29109.4°110.1°
C28C32H32112.1°110.3°
C28C32O33107.5°109.0°
H28C28O29108.4°109.2°
C28O29C30115.6°112.9°
O29C30H30110.6°109.2°
O29C30C34109.1°107.4°
O29C30C31109.0°110.5°
H30C30C34108.6°107.2°
H30C30C31108.6°110.8°
C34C30C31111.0°111.6°
C30C34H341109.5°110.6°
C30C34H342109.5°110.6°
C30C34H343109.4°110.6°
C30C31H31110.4°110.1°
C30C31O35109.1°109.4°
H31C31O35109.2°107.1°
C31O35C36116.0°111.4°
H32C32O33109.1°106.7°
C32O33H33109.5°106.3°
H341C34H342109.5°108.4°
H341C34H343109.5°108.3°
H342C34H343109.5°108.4°
O35C36H361109.5°109.5°
O35C36H362109.5°109.5°
O35C36H363109.4°109.0°
H361C36H362109.5°110.1°
H361C36H363109.5°109.4°
H362C36H363109.5°109.3°
C39C38H381106.1°108.1°
C39C38H382103.7°109.6°
C38C39C40103.1°113.2°
C38C39H391111.7°107.7°
C38C39H392113.0°109.4°
H381C38H382118.1°106.4°
C40C39H391111.6°109.7°
C40C39H392113.0°109.8°
C39C40C41115.4°113.4°
C39C40H401107.5°109.4°
C39C40H402106.2°109.8°
H391C39H392104.6°106.8°
C41C40H401107.5°107.5°
C41C40H402106.2°109.6°
C40C41C42107.6°113.4°
C40C41H411110.1°107.4°
C40C41H412110.5°109.7°
H401C40H402114.2°106.8°
C42C41H411110.1°109.5°
C42C41H412110.5°109.8°
C41C42C43110.5°113.4°
C41C42H421109.1°109.6°
C41C42H422108.9°109.8°
H411C41H412108.0°106.8°
C43C42H421109.1°107.3°
C43C42H422108.9°110.0°
C42C43C44114.5°115.2°
C42C43H431107.9°108.0°
C42C43H432106.7°109.0°
H421C42H422110.3°106.5°
C44C43H431107.8°109.3°
C44C43H432106.7°108.7°
C43C44C45116.5°112.6°
C43C44H441107.2°110.2°
C43C44H442105.6°111.5°
H431C43H432113.5°106.4°
C45C44H441107.2°108.3°
C45C44H442105.6°108.4°
C44C45O46112.3°112.7°
C44C45O47119.6°123.9°
H441C44H442115.2°105.5°
O46C45O47128.0°123.4°
C45O46H46109.5°115.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3COC32120.8°118.8°
O3COC31119.9°120.4°
O3CC32C31121.3°119.6°
O3COC17.7°2.9°
CO3C2C13.2°0.9°
CO3C2C38111.1°121.4°
CO3C2H2128.0°116.5°
O3CC32C2862.2°66.8°
O3CC31C3061.1°67.1°
O3CC31H31178.2°171.5°
O3CC31O3558.1°54.2°
O3CC32H3259.6°56.0°
O3CC32O33179.6°173.5°
OCC32C31120.2°120.9°
COC1C210.0°3.5°
COC1O37168.3°176.9°
OCO3C22.3°1.2°
OCC32C28179.4°173.7°
OCC31C30179.4°172.5°
OCC31H3159.8°51.1°
OCC31O3560.2°66.3°
OCC32H3258.8°63.5°
OCC32O3361.1°54.0°
C32COC1128.5°115.8°
C32CO3C2121.7°118.4°
CC32C28O27178.5°178.4°
CC32C28H32119.3°123.5°
CC32C28O33120.8°119.7°
CC32C28H2863.6°63.9°
CC32C28O2955.1°57.3°
C32CC31C3061.1°51.8°
C32CC31H3159.7°69.7°
C32CC31O35179.8°173.0°
CC32H32O33121.5°118.8°
CC32O33H33148.0°124.9°
C31COC1112.2°123.3°
C31CO3C2117.7°121.8°
C31CC32C2859.1°52.8°
CC31C30O2959.7°55.1°
CC31C30H3060.9°66.1°
CC31C30C34179.8°174.5°
CC31C30H31120.3°120.9°
CC31C30O35119.6°121.7°
CC31H31O35120.4°119.3°
C31CC32H32179.1°175.6°
C31CC32O3359.1°67.0°
CC31O35C36107.6°58.0°
OC1C2O37178.2°179.6°
OC1C2C38108.0°121.6°
OC1C2H2131.4°113.8°
OC1C2O38.0°2.8°
C1C2C38H2125.6°123.5°
C1C2C38O3110.0°116.2°
C1C2H2O3116.7°114.4°
C1C2C38C39178.5°179.4°
C1C2C38H38158.5°60.0°
C1C2C38H38266.6°56.1°
O37C1C2C3873.8°58.8°
O37C1C2H246.8°65.8°
O37C1C2O3170.3°177.6°
C38C2H2O3122.4°120.8°
C2C38C39H381120.0°120.9°
C2C38C39H382114.9°123.5°
C2C38H381H382115.7°118.2°
C2C38C39C40176.2°178.6°
C2C38C39H39163.8°60.0°
C2C38C39H39253.9°55.8°
H2C2C38C3955.9°55.9°
H2C2C38H381175.9°176.5°
H2C2C38H38259.0°67.4°
O3C2C38C3968.5°64.3°
O3C2C38H38151.4°56.3°
O3C2C38H382176.6°172.3°
C5C4C20C9178.9°177.2°
C4C5C6H5180.0°175.2°
C4C5C6C779.6°71.6°
C4C5C6C1039.9°37.5°
C4C5C6H6160.8°162.0°
C5C4C9C870.5°70.6°
C5C4C9C1039.4°34.2°
C5C4C9C23166.6°156.7°
C5C4C20H20161.8°180.0°
C5C4C20C2144.1°61.5°
C5C4C20C2279.0°61.6°
C20C4C5C6179.7°175.6°
C20C4C5H50.3°0.4°
C20C4C9C8110.4°107.1°
C20C4C9C10139.7°148.1°
C20C4C9C2312.5°25.6°
C4C20H20C21121.0°120.3°
C4C20H20C22119.7°120.7°
C4C20C21C22123.5°123.8°
C4C20C21H211135.5°61.6°
C4C20C21H212104.6°58.3°
C4C20C21H21315.5°177.9°
C4C20C22H22159.8°57.6°
C4C20C22H222179.8°62.4°
C4C20C22H22360.2°177.3°
C9C4C5C61.2°2.1°
C9C4C5H5178.8°177.2°
C4C9C10C657.8°52.4°
C4C9C8C759.8°57.1°
C4C9C8C14179.5°174.9°
C4C9C8C1157.2°62.0°
C4C9C8C10109.5°105.1°
C4C9C8C23121.6°130.3°
C4C9C10C23120.4°121.1°
C4C9C10C2664.7°63.5°
C4C9C10C13177.4°173.8°
C9C4C20H2019.3°2.8°
C9C4C20C21137.0°115.7°
C9C4C20C2299.9°121.2°
C4C9C23O2463.4°120.0°
C4C9C23O25116.5°60.1°
C5C6C7C10112.3°104.4°
C5C6C7H6125.9°125.2°
C5C6C10H6125.6°123.3°
C5C6C7C886.3°79.1°
C5C6C7H71153.7°158.2°
C5C6C7H7237.5°40.7°
C5C6C10C959.6°53.5°
C5C6C10C2665.7°65.6°
C5C6C10C13176.1°170.6°
H5C5C6C7100.4°103.6°
H5C5C6C10140.1°147.3°
H5C5C6H619.2°22.8°
C7C6C10H6120.2°130.4°
C6C7C8H71120.0°121.3°
C6C7C8H72123.9°119.5°
C6C7H71H72124.8°121.4°
C6C7C8C14100.5°102.3°
C6C7C8C11132.9°133.4°
C6C7C8C912.4°13.4°
C7C6C10C954.5°52.8°
C7C6C10C26179.9°171.9°
C7C6C10C1362.0°64.4°
C10C6C7C826.0°25.3°
C10C6C7H7193.9°97.4°
C10C6C7H72149.9°145.1°
C6C10C9C858.1°60.0°
C6C10C9C26122.4°115.9°
C6C10C9C13119.7°121.4°
C6C10C9C23178.2°173.5°
C6C10C26C13128.5°130.5°
C6C10C13H131171.0°69.8°
C6C10C13H13267.5°174.8°
C6C10C13C1551.0°52.8°
C6C10C26O2752.7°70.0°
C6C10C26H261172.8°49.5°
C6C10C26H26266.6°170.4°
H6C6C7C8147.8°155.7°
H6C6C7H7127.9°33.0°
H6C6C7H7288.3°84.5°
H6C6C10C9174.7°176.8°
H6C6C10C2659.9°57.7°
H6C6C10C1358.3°66.0°
C8C7H71H72124.7°123.0°
C7C8C14C11125.8°124.8°
C7C8C14C9108.9°110.8°
C7C8C11C9110.9°112.9°
C7C8C9C1049.7°47.9°
C7C8C9C23178.6°172.6°
C7C8C11H11146.7°179.9°
C7C8C11O1233.3°0.1°
C7C8C14C1870.8°74.4°
C7C8C14C1543.0°42.5°
C7C8C14H14170.1°163.4°
H71C7C8C1419.5°19.0°
H71C7C8C11107.1°105.2°
H71C7C8C9132.4°134.7°
H72C7C8C14135.6°138.2°
H72C7C8C119.0°13.9°
H72C7C8C9111.5°106.1°
C14C8C11C9120.5°122.2°
C14C8C9C1070.0°69.9°
C14C8C9C2358.9°54.8°
C14C8C11H1118.1°55.0°
C14C8C11O12161.9°124.9°
C8C14C15C1351.4°50.7°
C8C14C18C15120.2°122.1°
C8C14C18H14112.5°123.1°
C8C14C15H14112.7°119.6°
C8C14C15H1560.5°66.6°
C8C14C15C16179.9°177.0°
C8C14C18C17164.5°164.3°
C8C14C18H18144.5°75.4°
C8C14C18H18273.3°46.2°
C11C8C9C10166.7°167.0°
C11C8C9C2364.4°68.3°
C8C11H11O12180.0°179.9°
C11C8C14C1855.0°50.4°
C11C8C14C15168.8°167.3°
C11C8C14H1464.1°71.9°
C8C9C10C23123.8°126.6°
C8C9C10C26179.5°175.8°
C8C9C10C1361.6°61.4°
C9C8C11H11102.4°67.2°
C9C8C11O1277.6°112.9°
C9C8C14C18179.8°174.8°
C9C8C14C1566.0°68.3°
C9C8C14H1461.2°52.6°
C8C9C23O2459.5°8.8°
C8C9C23O25120.5°171.0°
C9C10C26C13126.0°126.6°
C9C10C13H13171.1°174.2°
C9C10C13H132167.4°70.4°
C9C10C13C1548.9°51.6°
C10C9C23O24179.4°125.9°
C10C9C23O250.6°54.0°
C9C10C26O27158.2°172.9°
C9C10C26H26181.8°53.4°
C9C10C26H26238.9°67.5°
C23C9C10C2655.7°57.6°
C23C9C10C1362.2°65.2°
C9C23O24O25179.9°179.8°
C9C23O25H25179.9°179.8°
C26C10C13H13160.0°57.4°
C26C10C13H13261.5°58.0°
C26C10C13C15180.0°180.0°
C10C26O27H261120.0°118.4°
C10C26O27H262119.3°118.4°
C10C26H261H262119.4°119.4°
C10C26O27C28178.7°178.4°
C10C13H131H132118.6°116.4°
C10C13H131C15122.8°126.1°
C10C13H132C15121.9°125.3°
C10C13C15C1439.5°42.3°
C10C13C15H1583.5°77.9°
C10C13C15C16158.4°164.3°
C13C10C26O2775.7°60.5°
C13C10C26H26144.3°180.0°
C13C10C26H262164.9°59.1°
H131C13H132C15119.0°117.2°
H131C13C15C1480.5°165.4°
H131C13C15H15156.5°45.2°
H131C13C15C1638.4°72.6°
H132C13C15C14158.1°78.9°
H132C13C15H1535.0°160.9°
H132C13C15C1683.0°43.1°
C13C15C14C18179.3°179.1°
C13C15C14H15111.9°117.3°
C13C15C14C16128.7°132.3°
C13C15C14H1461.3°68.9°
C13C15H15C16124.8°129.4°
C13C15C16H1672.4°82.9°
C13C15C16C1945.2°38.8°
C13C15C16C17163.1°160.6°
C18C14C15H14119.4°112.0°
C18C14C15H1567.4°61.8°
C18C14C15C1652.0°48.5°
C14C18C17C1622.0°21.1°
C14C18C17H17198.0°141.6°
C14C18C17H172142.7°100.3°
C14C18C17H181120.0°121.1°
C14C18C17H182122.1°119.1°
C14C18H181H182122.4°123.6°
C14C15H15C16114.7°110.1°
C14C15C16H16162.9°151.3°
C14C15C16C1979.6°86.9°
C14C15C16C1738.3°34.8°
C15C14C18C1744.3°42.2°
C15C14C18H18175.7°162.5°
C15C14C18H182166.4°75.9°
H14C14C15H15173.2°173.8°
H14C14C15C1667.4°63.4°
H14C14C18C1782.9°72.6°
H14C14C18H181157.0°47.7°
H14C14C18H18239.2°169.3°
H15C15C16H1639.0°35.9°
H15C15C16C19156.5°157.6°
H15C15C16C1785.5°80.6°
C15C16H16C19123.9°126.2°
C15C16H16C17115.9°112.1°
C15C16C19C17113.5°116.8°
C15C16C17H171131.1°111.5°
C15C16C17H172109.6°129.0°
C15C16C17C1811.1°8.4°
C15C16C19H19182.8°121.4°
C15C16C19H19237.2°118.5°
C15C16C19H193157.2°1.4°
H16C16C19C17124.9°120.3°
H16C16C17H171107.8°5.2°
H16C16C17H17211.5°114.3°
H16C16C17C18132.2°125.1°
H16C16C19H191155.6°1.5°
H16C16C19H19284.4°118.5°
H16C16C19H19335.6°121.5°
C19C16C17H1719.5°124.4°
C19C16C17H172128.8°4.9°
C19C16C17C18110.5°115.7°
C16C19H191H192120.0°121.3°
C16C19H191H193120.0°121.3°
C16C19H192H193120.0°121.3°
C16C17H171H172120.7°122.0°
C16C17H171C18118.5°118.0°
C16C17H172C18119.0°118.6°
C16C17C18H18198.0°142.2°
C16C17C18H182144.1°98.0°
C17C16C19H19130.7°121.8°
C17C16C19H192150.7°1.8°
C17C16C19H19389.3°118.2°
H171C17H172C18120.5°119.7°
H171C17C18H181142.0°97.3°
H171C17C18H18224.1°22.5°
H172C17C18H18122.7°20.8°
H172C17C18H18295.1°140.7°
C17C18H181H182122.3°121.1°
H191C19H192H193120.0°117.4°
H20C20C21C22119.3°117.3°
H20C20C21H211107.3°179.4°
H20C20C21H21212.7°60.6°
H20C20C21H213132.7°59.0°
H20C20C22H22157.6°61.4°
H20C20C22H22262.4°178.6°
H20C20C22H223177.5°58.3°
C20C21H211H212120.0°121.7°
C20C21H211H213120.0°122.4°
C20C21H212H213120.0°121.8°
C21C20C22H221175.5°178.9°
C21C20C22H22255.5°61.0°
C21C20C22H22364.5°59.3°
C22C20C21H21112.0°62.1°
C22C20C21H212131.9°177.9°
C22C20C21H213108.0°58.3°
C20C22H221H222120.0°122.1°
C20C22H221H223120.0°121.7°
C20C22H222H223120.0°122.2°
H211C21H212H213120.0°116.2°
H221C22H222H223120.0°116.1°
O24C23O25H250.0°0.0°
O27C26H261H262119.4°122.8°
C26O27C28C32179.2°180.0°
C26O27C28H2859.9°59.7°
C26O27C28O2958.7°59.1°
H261C26O27C2858.7°60.0°
H262C26O27C2861.9°63.2°
O27C28C32H28117.9°117.6°
O27C28C32O29123.4°121.1°
O27C28H28O29120.7°119.7°
O27C28O29C30179.4°178.0°
O27C28C32H3262.1°58.1°
O27C28C32O3357.8°58.8°
C32C28H28O29119.3°121.8°
C32C28O29C3057.8°62.1°
C28C32H32O33119.0°118.3°
C28C32O33H3393.1°114.6°
H28C28O29C3061.6°60.4°
H28C28C32H3255.8°59.5°
H28C28C32O33175.7°176.4°
C28O29C30H3059.8°61.1°
C28O29C30C34179.1°177.1°
C28O29C30C3159.5°61.0°
O29C28C32H32174.5°179.3°
O29C28C32O3365.6°62.4°
O29C30H30C34119.6°116.1°
O29C30H30C31119.5°121.9°
O29C30C34C31120.1°121.2°
O29C30C31H3160.7°65.8°
O29C30C31O35179.3°176.8°
O29C30C34H34130.5°171.7°
O29C30C34H34289.5°51.7°
O29C30C34H343150.5°68.4°
H30C30C34C31119.3°121.5°
H30C30C31H31178.8°173.0°
H30C30C31O3558.7°55.6°
H30C30C34H341151.1°71.0°
H30C30C34H34231.1°169.0°
H30C30C34H34388.9°49.0°
C34C30C31H3159.5°53.6°
C34C30C31O3560.5°63.8°
C30C34H341H342120.0°121.3°
C30C34H341H343120.0°121.3°
C30C34H342H343120.0°121.3°
C30C31H31O35120.0°118.9°
C31C30C34H34189.6°50.5°
C31C30C34H342150.4°69.6°
C31C30C34H34330.4°170.4°
C30C31O35C36133.5°180.0°
H31C31O35C3612.8°60.7°
C31O35C36H361116.6°141.8°
C31O35C36H362123.4°20.9°
C31O35C36H3633.4°98.6°
H32C32O33H3328.7°4.5°
H341C34H342H343120.0°117.3°
O35C36H361H362120.0°120.5°
O35C36H361H363119.9°119.4°
O35C36H362H363120.0°119.3°
H361C36H362H363120.0°120.2°
C39C38H381H382115.7°117.7°
C38C39C40H391120.0°120.3°
C38C39C40H392122.3°122.6°
C38C39H391H392122.6°117.5°
C38C39C40C41176.6°180.0°
C38C39C40H40156.6°60.0°
C38C39C40H40266.1°56.9°
H381C38C39C4056.2°60.5°
H381C38C39H391176.2°61.0°
H381C38C39H39266.1°176.7°
H382C38C39C4068.9°55.1°
H382C38C39H39151.1°176.6°
H382C38C39H392168.7°67.7°
C40C39H391H392122.6°118.9°
C39C40C41H401120.0°121.0°
C39C40C41H402117.3°123.2°
C39C40H401H402117.6°118.8°
C39C40C41C42178.3°179.0°
C39C40C41H41161.7°60.0°
C39C40C41H41257.5°55.8°
H391C39C40C4163.4°59.7°
H391C39C40H401176.6°179.7°
H391C39C40H40253.9°63.4°
H392C39C40C4154.2°57.4°
H392C39C40H40165.8°62.6°
H392C39C40H402171.6°179.5°
C41C40H401H402117.6°117.6°
C40C41C42H411120.0°119.9°
C40C41C42H412120.8°123.1°
C40C41H411H412120.7°117.6°
C40C41C42C43177.9°179.9°
C40C41C42H42157.9°60.2°
C40C41C42H42262.6°56.4°
H401C40C41C4258.3°60.0°
H401C40C41H411178.3°61.1°
H401C40C41H41262.5°176.8°
H402C40C41C4264.4°55.8°
H402C40C41H41155.6°176.9°
H402C40C41H412174.9°67.4°
C42C41H411H412120.8°118.9°
C41C42C43H421120.0°121.2°
C41C42C43H422119.5°123.3°
C41C42H421H422119.6°118.7°
C41C42C43C44135.2°178.8°
C41C42C43H43115.2°58.8°
C41C42C43H432107.1°56.4°
H411C41C42C4362.1°60.0°
H411C41C42H421177.9°179.9°
H411C41C42H42257.4°63.5°
H412C41C42C4357.1°57.0°
H412C41C42H42162.9°62.8°
H412C41C42H422176.7°179.5°
C43C42H421H422119.6°117.7°
C42C43C44H431120.0°121.7°
C42C43C44H432117.8°122.5°
C42C43H431H432118.0°116.9°
C42C43C44C45143.3°61.7°
C42C43C44H44196.7°177.3°
C42C43C44H44226.5°60.4°
H421C42C43C44104.8°60.0°
H421C42C43H431135.2°62.4°
H421C42C43H43212.9°177.6°
H422C42C43C4415.6°55.5°
H422C42C43H431104.4°177.9°
H422C42C43H432133.4°66.9°
C44C43H431H432117.9°117.2°
C43C44C45H441120.0°122.1°
C43C44C45H442116.8°123.8°
C43C44H441H442117.1°120.5°
C43C44C45O46179.5°148.2°
C43C44C45O470.4°32.2°
H431C43C44C4523.3°60.0°
H431C43C44H441143.2°61.0°
H431C43C44H44293.5°177.9°
H432C43C44C4599.0°175.8°
H432C43C44H44121.0°54.7°
H432C43C44H442144.3°62.1°
C45C44H441H442117.1°115.9°
C44C45O46O47179.9°179.6°
C44C45O46H46179.9°179.7°
H441C44C45O4659.5°89.7°
H441C44C45O47120.4°90.0°
H442C44C45O4663.7°24.4°
H442C44C45O47116.4°156.0°
O47C45O46H460.0°0.0°

222415

PDB entries from 2024-07-10

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