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IU5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C10sing1.53Å1.55Å
C1C2sing1.53Å1.53Å
C1HC11sing1.09Å1.11Å
C1HC12sing1.09Å1.11Å
C10C19sing1.53Å1.52Å
C10C5sing1.53Å1.57Å
C10C9sing1.53Å1.54Å
C11C12sing1.54Å1.53Å
C11C9sing1.53Å1.54Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C12C13sing1.51Å1.53Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C13C14sing1.55Å1.53Å
C13C17sing1.53Å1.55Å
C13C18sing1.53Å1.55Å
C14C15sing1.53Å1.52Å
C14C8sing1.52Å1.51Å
C14H141sing1.09Å1.12Å
C15C16sing1.55Å1.54Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.11Å
C16C17sing1.55Å1.52Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.11Å
C17C20sing1.53Å1.54Å
C17H171sing1.09Å1.12Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.12Å
C18H183sing1.09Å1.11Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.12Å
C19H193sing1.09Å1.11Å
O1AC7sing1.43Å1.43Å
O1AHOA1sing0.97Å0.95Å
O1BC3sing1.43Å1.42Å
O1BHOB1sing0.97Å0.95Å
C2C3sing1.53Å1.50Å
C2HC21sing1.09Å1.12Å
C2HC22sing1.09Å1.11Å
C20C21sing1.53Å1.52Å
C20C22sing1.53Å1.55Å
C20H201sing1.09Å1.12Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.11Å
C21H213sing1.09Å1.12Å
C22C23sing1.53Å1.47Å
C22H221sing1.09Å1.12Å
C22H222sing1.09Å1.12Å
C23C24sing1.51Å1.47Å
C23H231sing1.09Å1.12Å
C23H232sing1.09Å1.12Å
C24O4doub1.21Å1.22Å
C24O4Asing1.34Å1.43Å
C3C4sing1.53Å1.51Å
C3HC31sing1.09Å1.12Å
C4C5sing1.53Å1.51Å
C4HC41sing1.09Å1.11Å
C4HC42sing1.09Å1.11Å
O4AHOA4sing0.97Å0.95Å
C5C6sing1.53Å1.53Å
C5HC51sing1.09Å1.12Å
C6C7sing1.53Å1.51Å
C6HC61sing1.09Å1.11Å
C6HC62sing1.09Å1.12Å
C7C8sing1.53Å1.52Å
C7HC71sing1.09Å1.12Å
C8C9sing1.54Å1.55Å
C8HC81sing1.09Å1.11Å
C9HC91sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C10C1C2115.0°109.5°
C10C1HC11110.2°109.5°
C10C1HC12110.2°109.5°
C1C10C19106.3°109.5°
C1C10C5107.3°109.4°
C1C10C9111.8°109.5°
C2C1HC11110.2°109.5°
C2C1HC12110.2°109.4°
C1C2C3109.3°109.5°
C1C2HC21112.3°109.5°
C1C2HC22112.3°109.5°
HC11C1HC12100.1°109.5°
C19C10C5110.1°109.5°
C19C10C9112.4°108.7°
C10C19H191106.3°109.5°
C10C19H192113.3°109.5°
C10C19H193113.4°109.5°
C5C10C9108.8°110.1°
C10C5C4113.7°109.4°
C10C5C6110.3°109.5°
C10C5HC51107.0°109.5°
C10C9C11113.0°110.0°
C10C9C8112.9°109.2°
C10C9HC91104.7°108.8°
C12C11C9115.7°111.4°
C12C11H111109.9°109.2°
C12C11H112109.9°109.1°
C11C12C13112.1°108.8°
C11C12H121111.2°109.9°
C11C12H122111.3°109.8°
C9C11H111110.0°109.1°
C9C11H112110.0°109.1°
C11C9C8110.2°111.8°
C11C9HC91107.7°108.8°
H111C11H112100.2°109.0°
C13C12H121111.3°107.4°
C13C12H122111.3°110.9°
C12C13C14108.5°108.6°
C12C13C17118.2°118.2°
C12C13C18107.7°109.8°
H121C12H12299.0°109.9°
C14C13C17100.2°103.2°
C14C13C18112.3°106.5°
C13C14C15104.7°101.8°
C13C14C8114.9°107.7°
C13C14H141112.9°110.4°
C17C13C18109.8°109.8°
C13C17C16102.9°105.4°
C13C17C20118.9°110.3°
C13C17H171109.2°110.3°
C13C18H181107.7°109.5°
C13C18H182112.8°109.5°
C13C18H183112.8°109.5°
C15C14C8118.5°115.9°
C15C14H141108.8°110.3°
C14C15C16103.4°102.9°
C14C15H151114.5°110.8°
C14C15H152114.5°110.7°
C8C14H14196.9°110.4°
C14C8C7113.7°110.3°
C14C8C9109.9°107.4°
C14C8HC81107.0°109.7°
C16C15H151114.6°110.7°
C16C15H152114.5°110.6°
C15C16C17107.7°106.4°
C15C16H161112.9°110.0°
C15C16H162112.9°110.1°
H151C15H15296.0°110.8°
C17C16H161112.9°110.0°
C17C16H162112.9°110.1°
C16C17C20113.3°110.2°
C16C17H171115.3°110.2°
H161C16H16297.6°110.2°
C20C17H17197.8°110.3°
C17C20C21113.7°109.4°
C17C20C22109.4°109.5°
C17C20H201106.8°109.4°
H181C18H182112.9°109.5°
H181C18H183112.9°109.4°
H182C18H18397.6°109.4°
H191C19H192113.4°109.4°
H191C19H193113.4°109.4°
H192C19H19397.2°109.4°
C7O1AHOA1106.0°106.8°
O1AC7C6106.1°109.5°
O1AC7C8107.1°109.4°
O1AC7HC71114.5°109.5°
C3O1BHOB1110.5°106.8°
O1BC3C2110.5°109.5°
O1BC3C4106.5°109.5°
O1BC3HC31111.2°109.4°
C3C2HC21112.3°109.4°
C3C2HC22112.3°109.5°
C2C3C4110.9°109.5°
C2C3HC31106.9°109.5°
HC21C2HC2298.1°109.5°
C21C20C22110.3°109.5°
C21C20H201106.0°109.5°
C20C21H211113.7°109.5°
C20C21H212110.7°109.5°
C20C21H213110.7°109.5°
C22C20H201110.5°109.4°
C20C22C23113.7°109.5°
C20C22H221110.6°109.5°
C20C22H222110.6°109.4°
H211C21H212110.7°109.5°
H211C21H213110.6°109.4°
H212C21H21399.6°109.5°
C23C22H221110.7°109.5°
C23C22H222110.7°109.5°
C22C23C24116.9°109.5°
C22C23H231109.5°109.5°
C22C23H232109.5°109.5°
H221C22H22299.7°109.4°
C24C23H231109.5°109.4°
C24C23H232109.6°109.4°
C23C24O4124.5°119.9°
C23C24O4A112.1°120.0°
H231C23H232100.6°109.5°
O4C24O4A123.3°120.0°
C24O4AHOA4112.1°120.0°
C4C3HC31110.9°109.5°
C3C4C5112.4°109.5°
C3C4HC41111.1°109.5°
C3C4HC42111.1°109.5°
C5C4HC41111.2°109.5°
C5C4HC42111.2°109.4°
C4C5C6112.5°109.5°
C4C5HC51104.5°109.5°
HC41C4HC4299.2°109.5°
C6C5HC51108.4°109.4°
C5C6C7115.0°109.6°
C5C6HC61110.2°109.5°
C5C6HC62110.1°109.5°
C7C6HC61110.2°109.4°
C7C6HC62110.2°109.4°
C6C7C8113.0°109.4°
C6C7HC71108.7°109.5°
HC61C6HC62100.1°109.5°
C8C7HC71107.7°109.5°
C7C8C9111.5°109.9°
C7C8HC81105.1°109.7°
C9C8HC81109.3°109.8°
C8C9HC91107.9°108.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C10C1C2HC11125.3°120.1°
C10C1C2HC12125.2°120.0°
C10C1HC11HC12116.0°120.0°
C1C10C19C5115.9°120.0°
C1C10C19C9122.7°119.6°
C1C10C5C9121.1°120.4°
C1C10C9C1158.4°57.4°
C1C10C19H191180.0°60.0°
C1C10C19H19254.8°180.0°
C1C10C19H19354.8°60.0°
C10C1C2C357.9°60.0°
C10C1C2HC21176.8°60.0°
C10C1C2HC2267.4°180.0°
C1C10C5C449.2°60.1°
C1C10C5C6176.6°180.0°
C1C10C5HC5165.6°60.0°
C1C10C9C8175.7°179.5°
C1C10C9HC9158.6°61.8°
C2C1HC11HC12116.0°120.0°
C2C1C10C19169.7°179.8°
C2C1C10C551.9°60.1°
C2C1C10C967.3°60.7°
C1C2C3O1B59.9°60.1°
C1C2C3HC21125.3°120.0°
C1C2C3HC22125.3°120.0°
C1C2HC21HC22118.2°120.0°
C1C2C3C457.9°59.9°
C1C2C3HC31178.9°179.9°
HC11C1C10C1944.4°59.8°
HC11C1C10C573.3°179.9°
HC11C1C10C9167.4°59.3°
HC11C1C2C367.4°180.0°
HC11C1C2HC2157.9°60.1°
HC11C1C2HC22167.3°60.0°
HC12C1C10C1965.1°60.2°
HC12C1C10C5177.1°59.9°
HC12C1C10C957.9°179.3°
HC12C1C2C3176.9°60.0°
HC12C1C2HC2151.6°179.9°
HC12C1C2HC2257.8°60.0°
C19C10C5C9123.6°119.5°
C19C10C9C1161.2°62.2°
C10C19H191H192125.2°120.1°
C10C19H191H193125.2°120.0°
C10C19H192H193119.3°120.0°
C19C10C5C4164.5°179.8°
C19C10C5C668.0°59.9°
C19C10C5HC5149.7°60.1°
C19C10C9C864.7°60.9°
C19C10C9HC91178.1°178.6°
C5C10C9C11176.7°177.7°
C5C10C19H19164.1°60.0°
C5C10C19H192170.6°60.0°
C5C10C19H19361.1°180.0°
C10C5C4C354.1°60.1°
C10C5C4C6126.3°120.0°
C10C5C4HC51116.3°120.1°
C10C5C4HC41179.3°59.9°
C10C5C4HC4271.2°180.0°
C10C5C6HC51116.9°120.0°
C10C5C6C753.3°59.8°
C10C5C6HC6171.9°179.8°
C10C5C6HC62178.6°60.2°
C5C10C9C857.4°59.2°
C5C10C9HC9159.7°58.6°
C10C9C11C12177.2°176.1°
C10C9C11C8127.4°121.6°
C10C9C11HC91115.1°119.2°
C10C9C11H11152.0°63.3°
C10C9C11H11257.5°55.7°
C10C9C8C14178.6°179.3°
C9C10C19H19157.3°179.6°
C9C10C19H19267.9°60.4°
C9C10C19H193177.4°59.6°
C9C10C5C471.9°60.3°
C9C10C5C655.5°59.7°
C9C10C5HC51173.2°179.7°
C10C9C8C754.3°59.3°
C10C9C8HC91115.2°118.2°
C10C9C8HC8161.6°61.5°
C12C11C9H111125.3°120.6°
C12C11C9H112125.3°120.4°
C12C11H111H112115.7°119.1°
C11C12C13H121125.3°118.9°
C11C12C13H122125.3°120.9°
C11C12H121H122117.1°121.0°
C11C12C13C1451.8°61.3°
C11C12C13C17164.9°178.3°
C11C12C13C1870.0°54.8°
C12C11C9C849.9°54.6°
C12C11C9HC9167.6°64.7°
C9C11H111H112115.8°119.0°
C9C11C12C1351.1°55.3°
C9C11C12H12174.2°62.1°
C9C11C12H122176.4°176.8°
C11C9C8C1451.2°58.7°
C11C9C8C7178.3°178.7°
C11C9C8HC91117.4°119.7°
C11C9C8HC8165.9°60.5°
H111C11C12C1374.1°175.9°
H111C11C12H121160.5°58.5°
H111C11C12H12251.2°62.6°
H111C11C9C875.4°175.2°
H111C11C9HC91167.1°55.9°
H112C11C12C13176.4°65.1°
H112C11C12H12151.1°177.5°
H112C11C12H12258.3°56.4°
H112C11C9C8175.1°65.9°
H112C11C9HC9157.6°174.9°
C13C12H121H122117.2°120.7°
C12C13C14C17124.5°126.2°
C12C13C14C18119.0°118.2°
C12C13C17C18124.1°127.0°
C12C13C14C15170.0°170.5°
C12C13C14C858.2°67.2°
C12C13C14H14151.7°53.3°
C12C13C17C16159.0°148.9°
C12C13C17C2074.9°92.1°
C12C13C17H17136.0°30.0°
C12C13C18H181180.0°53.6°
C12C13C18H18254.7°173.7°
C12C13C18H18354.7°66.3°
H121C12C13C1473.4°57.6°
H121C12C13C1739.6°59.3°
H121C12C13C18164.7°173.7°
H122C12C13C14177.1°177.8°
H122C12C13C1769.8°60.8°
H122C12C13C1855.3°66.1°
C14C13C17C18118.3°113.3°
C13C14C15C8129.7°116.5°
C13C14C15H141121.0°117.2°
C13C14C8H141119.3°120.6°
C13C14C15C1631.2°41.5°
C13C14C15H15194.1°159.9°
C13C14C15H152156.5°76.7°
C14C13C17C1641.4°29.2°
C14C13C17C20167.5°148.1°
C14C13C17H17181.6°89.8°
C14C13C18H18160.5°63.7°
C14C13C18H182174.2°56.4°
C14C13C18H18364.8°176.4°
C13C14C8C7175.6°176.4°
C13C14C8C958.5°63.9°
C13C14C8HC8160.0°55.3°
C17C13C14C1545.5°44.3°
C17C13C14C8177.3°166.6°
C17C13C14H14172.8°72.9°
C13C17C16C1523.1°3.5°
C13C17C16C20129.7°119.0°
C13C17C16H171118.8°119.1°
C13C17C16H161102.1°122.6°
C13C17C16H162148.4°115.8°
C13C17C20H171117.1°122.1°
C17C13C18H18150.1°174.8°
C17C13C18H18275.2°54.8°
C17C13C18H183175.4°65.2°
C13C17C20C21134.9°61.3°
C13C17C20C22101.3°178.6°
C13C17C20H20118.4°58.7°
C18C13C14C1571.0°71.3°
C18C13C14C860.8°51.0°
C18C13C14H141170.7°171.5°
C18C13C17C1677.0°84.1°
C18C13C17C2049.2°34.9°
C18C13C17H171160.0°156.9°
C13C18H181H182125.2°120.1°
C13C18H181H183125.2°120.0°
C13C18H182H183118.7°120.0°
C15C14C8H141115.9°126.3°
C14C15C16H151125.2°118.5°
C14C15C16H152125.2°118.3°
C14C15H151H152120.4°123.3°
C14C15C16C174.5°23.9°
C14C15C16H161129.8°95.3°
C14C15C16H162120.7°143.2°
C15C14C8C750.8°63.3°
C15C14C8C9176.6°177.0°
C15C14C8HC8164.9°57.8°
C8C14C15C16160.9°158.0°
C8C14C15H15135.7°83.6°
C8C14C15H15273.8°39.7°
C14C8C7O1A70.0°61.9°
C14C8C7C6173.6°178.1°
C14C8C7C9124.9°118.2°
C14C8C7HC81116.7°121.0°
C14C8C7HC7153.6°58.1°
C14C8C9HC81117.1°119.2°
C14C8C9HC9166.2°61.1°
H141C14C15C1689.7°75.7°
H141C14C15H151145.0°42.7°
H141C14C15H15235.5°166.1°
H141C14C8C765.1°63.1°
H141C14C8C960.7°56.7°
H141C14C8HC81179.3°175.9°
C16C15H151H152120.5°123.1°
C15C16C17H161125.3°119.1°
C15C16C17H162125.2°119.3°
C15C16H161H162118.8°121.5°
C15C16C17C20152.8°122.5°
C15C16C17H17195.7°115.6°
H151C15C16C17120.7°142.3°
H151C15C16H1614.6°23.2°
H151C15C16H162114.1°98.4°
H152C15C16C17129.8°94.4°
H152C15C16H161105.0°146.4°
H152C15C16H1624.5°24.9°
C17C16H161H162118.8°121.6°
C16C17C20H171121.9°121.9°
C16C17C20C21104.0°177.3°
C16C17C20C2219.7°62.7°
C16C17C20H201139.4°57.3°
H161C16C17C2027.6°118.4°
H161C16C17H171139.1°3.5°
H162C16C17C2081.9°3.2°
H162C16C17H17129.6°125.2°
C17C20C21C22123.3°120.1°
C17C20C21H201117.0°119.9°
C17C20C22H201117.4°119.9°
C17C20C21H211180.0°60.1°
C17C20C21H21254.7°59.9°
C17C20C21H21354.7°180.0°
C17C20C22C23172.6°180.0°
C17C20C22H22147.3°60.0°
C17C20C22H22262.1°60.0°
H171C17C20C2117.9°60.8°
H171C17C20C22141.7°59.3°
H171C17C20H20198.6°179.2°
H181C18H182H183118.9°120.0°
H191C19H192H193119.3°119.9°
O1AC7C6C5167.1°180.0°
O1AC7C6C8117.0°119.9°
O1AC7C6HC71123.6°120.1°
O1AC7C6HC6141.8°60.0°
O1AC7C6HC6267.7°59.9°
O1AC7C8HC71123.6°120.0°
O1AC7C8C9165.1°179.9°
O1AC7C8HC8146.7°59.1°
HOA1O1AC7C6180.0°60.1°
HOA1O1AC7C859.1°180.0°
HOA1O1AC7HC7160.2°60.0°
O1BC3C2C4117.8°120.0°
O1BC3C2HC31121.2°120.0°
O1BC3C2HC2165.4°179.9°
O1BC3C2HC22174.8°59.9°
O1BC3C4HC31121.2°119.9°
O1BC3C4C562.5°60.1°
O1BC3C4HC4162.8°179.9°
O1BC3C4HC42172.2°59.9°
HOB1O1BC3C2180.0°59.9°
HOB1O1BC3C459.5°180.0°
HOB1O1BC3HC3161.5°60.1°
C3C2HC21HC22118.2°120.0°
C2C3C4HC31118.6°120.0°
C2C3C4C557.8°60.0°
C2C3C4HC41177.0°60.0°
C2C3C4HC4267.5°180.0°
HC21C2C3C4176.8°60.0°
HC21C2C3HC3155.8°60.0°
HC22C2C3C467.4°180.0°
HC22C2C3HC3153.6°60.0°
C21C20C22H201116.9°120.0°
C20C21H211H212125.3°120.0°
C20C21H211H213125.3°119.9°
C20C21H212H213116.5°120.0°
C21C20C22C2361.7°60.0°
C21C20C22H221173.1°180.0°
C21C20C22H22263.6°60.1°
C22C20C21H21156.7°60.0°
C22C20C21H21268.6°180.0°
C22C20C21H213178.0°59.9°
C20C22C23H221125.2°120.0°
C20C22C23H222125.2°120.0°
C20C22H221H222116.5°119.9°
C20C22C23C24175.9°180.0°
C20C22C23H23158.8°60.0°
C20C22C23H23250.6°60.1°
H201C20C21H21162.9°180.0°
H201C20C21H212171.7°60.0°
H201C20C21H21362.3°60.1°
H201C20C22C2355.2°60.1°
H201C20C22H22170.1°60.0°
H201C20C22H222179.5°179.9°
H211C21H212H213116.5°120.0°
C23C22H221H222116.6°120.0°
C22C23C24H231125.3°120.0°
C22C23C24H232125.3°120.0°
C22C23H231H232115.2°120.1°
C22C23C24O495.5°0.1°
C22C23C24O4A85.4°180.0°
H221C22C23C2450.7°60.0°
H221C22C23H231176.0°180.0°
H221C22C23H23274.6°60.0°
H222C22C23C2458.9°60.0°
H222C22C23H23166.4°59.9°
H222C22C23H232175.8°180.0°
C24C23H231H232115.3°119.9°
C23C24O4O4A179.0°179.9°
C23C24O4AHOA4180.0°179.9°
H231C23C24O4139.3°119.9°
H231C23C24O4A39.8°59.9°
H232C23C24O429.8°120.1°
H232C23C24O4A149.3°60.0°
O4C24O4AHOA40.9°0.1°
C3C4C5HC41125.2°120.0°
C3C4C5HC42125.2°120.0°
C3C4HC41HC42117.0°120.0°
C3C4C5C6179.6°180.0°
C3C4C5HC5162.2°60.0°
HC31C3C4C5176.3°180.0°
HC31C3C4HC4158.4°60.0°
HC31C3C4HC4251.1°60.0°
C5C4HC41HC42117.1°120.0°
C4C5C6HC51115.1°120.0°
C4C5C6C774.7°60.1°
C4C5C6HC61160.0°59.9°
C4C5C6HC6250.5°179.8°
HC41C4C5C654.4°60.0°
HC41C4C5HC5163.0°180.0°
HC42C4C5C655.1°60.0°
HC42C4C5HC51172.5°60.0°
C5C6C7HC61125.2°120.0°
C5C6C7HC62125.2°120.1°
C5C6HC61HC62116.0°120.0°
C5C6C7C850.1°60.1°
C5C6C7HC7169.4°59.9°
HC51C5C6C7170.2°179.9°
HC51C5C6HC6145.0°60.2°
HC51C5C6HC6264.6°59.8°
C7C6HC61HC62116.0°119.9°
C6C7C8HC71120.0°120.0°
C6C7C8C948.7°59.9°
C6C7C8HC8169.7°60.9°
HC61C6C7C875.2°179.9°
HC61C6C7HC71165.4°60.1°
HC62C6C7C8175.3°60.0°
HC62C6C7HC7155.8°180.0°
C7C8C9HC81115.9°120.8°
C7C8C9HC9160.9°59.0°
HC71C7C8C971.4°60.1°
HC71C7C8HC81170.3°179.1°
HC81C8C9HC91176.8°179.7°

219869

PDB entries from 2024-05-15

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