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SQU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C1H11sing1.09Å1.11Å
C1H12Asing1.09Å1.12Å
C1H13sing1.09Å1.11Å
C2C3sing1.53Å1.52Å
C2C4sing1.53Å1.35Å
C2H2sing1.09Å1.11Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.11Å
C3H33sing1.09Å1.12Å
C4C5sing1.53Å1.52Å
C4H41sing1.09Å1.11Å
C4H42sing1.09Å1.11Å
C5C6sing1.53Å1.55Å
C5H51sing1.09Å1.11Å
C5H52sing1.09Å1.11Å
C6C7sing1.53Å1.53Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.12Å
C7C9sing1.53Å1.35Å
C7H71sing1.09Å1.11Å
C7H72sing1.09Å1.12Å
C9C10sing1.53Å1.52Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.11Å
C10C11sing1.53Å1.54Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.12Å
C11C12sing1.53Å1.53Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C12C13sing1.53Å1.53Å
C12C14sing1.53Å1.35Å
C12H12sing1.09Å1.11Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.12Å
C13H133sing1.09Å1.12Å
C14C15sing1.53Å1.51Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C15C16sing1.53Å1.54Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.12Å
C16C17sing1.53Å1.53Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.11Å
C17C18sing1.53Å1.35Å
C17H171sing1.09Å1.11Å
C17H172sing1.09Å1.11Å
C18C20sing1.53Å1.53Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.12Å
C20C21sing1.53Å1.55Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.12Å
C21C22sing1.53Å1.52Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.12Å
C22C23sing1.53Å1.34Å
C22H221sing1.09Å1.12Å
C22H222sing1.09Å1.12Å
C23C25sing1.53Å1.53Å
C23H231sing1.09Å1.12Å
C23H232sing1.09Å1.11Å
C25C26sing1.53Å1.55Å
C25H251sing1.09Å1.11Å
C25H252sing1.09Å1.12Å
C26C27sing1.53Å1.52Å
C26H261sing1.09Å1.12Å
C26H262sing1.09Å1.12Å
C27C28sing1.53Å1.36Å
C27H271sing1.09Å1.11Å
C27H272sing1.09Å1.12Å
C28C29sing1.53Å1.52Å
C28C30sing1.53Å1.53Å
C28H28sing1.09Å1.12Å
C29H291sing1.09Å1.11Å
C29H292sing1.09Å1.11Å
C29H293sing1.09Å1.11Å
C30H301sing1.09Å1.11Å
C30H302sing1.09Å1.12Å
C30H303sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H11115.6°109.5°
C2C1H12A109.9°109.5°
C2C1H13110.0°109.4°
C1C2C3115.6°109.4°
C1C2C4123.0°109.6°
C1C2H294.8°109.5°
H11C1H12A110.0°109.5°
H11C1H13110.1°109.4°
H12AC1H13100.2°109.5°
C3C2C4119.0°109.4°
C3C2H2107.5°109.4°
C2C3H31115.6°109.5°
C2C3H32110.1°109.5°
C2C3H33110.0°109.5°
C4C2H283.9°109.5°
C2C4C5129.1°109.5°
C2C4H41105.3°109.4°
C2C4H42105.3°109.5°
H31C3H32110.0°109.5°
H31C3H33109.9°109.4°
H32C3H33100.2°109.5°
C5C4H41105.4°109.5°
C5C4H42105.4°109.5°
C4C5C6114.9°109.5°
C4C5H51110.2°109.4°
C4C5H52110.2°109.5°
H41C4H42103.9°109.4°
C6C5H51110.2°109.4°
C6C5H52110.2°109.5°
C5C6C7115.3°109.5°
C5C6H61110.1°109.4°
C5C6H62110.1°109.5°
H51C5H52100.1°109.4°
C7C6H61110.1°109.4°
C7C6H62110.1°109.5°
C6C7C9126.4°109.5°
C6C7H71106.3°109.5°
C6C7H72106.3°109.5°
H61C6H62100.1°109.4°
C9C7H71106.3°109.4°
C9C7H72106.3°109.5°
C7C9C10129.4°109.5°
C7C9H91105.2°109.5°
C7C9H92105.2°109.4°
H71C7H72103.2°109.4°
C10C9H91105.3°109.5°
C10C9H92105.3°109.5°
C9C10C11115.1°109.5°
C9C10H101110.1°109.4°
C9C10H102110.1°109.4°
H91C9H92103.9°109.4°
C11C10H101110.2°109.5°
C11C10H102110.2°109.5°
C10C11C12116.6°109.5°
C10C11H111109.6°109.5°
C10C11H112109.6°109.5°
H101C10H102100.1°109.5°
C12C11H111109.7°109.4°
C12C11H112109.7°109.5°
C11C12C13116.9°109.5°
C11C12C14124.8°109.5°
C11C12H1285.7°109.4°
H111C11H112100.5°109.4°
C13C12C14115.0°109.5°
C13C12H12112.4°109.5°
C12C13H131116.9°109.5°
C12C13H132109.5°109.5°
C12C13H133109.5°109.5°
C14C12H1291.2°109.4°
C12C14C15132.3°109.5°
C12C14H141104.3°109.4°
C12C14H142104.3°109.6°
H131C13H132109.5°109.5°
H131C13H133109.5°109.4°
H132C13H133100.6°109.5°
C15C14H141104.3°109.4°
C15C14H142104.3°109.5°
C14C15C16117.2°109.5°
C14C15H151109.4°109.4°
C14C15H152109.4°109.5°
H141C14H142104.7°109.4°
C16C15H151109.4°109.5°
C16C15H152109.4°109.5°
C15C16C17113.4°109.5°
C15C16H161110.8°109.4°
C15C16H162110.8°109.5°
H151C15H152100.7°109.4°
C17C16H161110.7°109.5°
C17C16H162110.7°109.5°
C16C17C18127.0°109.5°
C16C17H171106.1°109.4°
C16C17H172106.1°109.5°
H161C16H16299.6°109.4°
C18C17H171106.0°109.4°
C18C17H172106.0°109.4°
C17C18C20126.3°109.5°
C17C18H181106.3°109.5°
C17C18H182106.3°109.5°
H171C17H172103.4°109.5°
C20C18H181106.2°109.4°
C20C18H182106.2°109.5°
C18C20C21112.2°109.5°
C18C20H201111.2°109.4°
C18C20H202111.2°109.5°
H181C18H182103.2°109.4°
C21C20H201111.1°109.4°
C21C20H202111.2°109.5°
C20C21C22112.9°109.6°
C20C21H211111.0°109.4°
C20C21H212111.0°109.5°
H201C20H20299.1°109.5°
C22C21H211110.9°109.4°
C22C21H212110.9°109.5°
C21C22C23127.6°109.5°
C21C22H221105.9°109.4°
C21C22H222105.9°109.5°
H211C21H21299.4°109.4°
C23C22H221105.9°109.4°
C23C22H222105.9°109.5°
C22C23C25128.0°109.5°
C22C23H231105.7°109.4°
C22C23H232105.7°109.5°
H221C22H222103.5°109.5°
C25C23H231105.7°109.4°
C25C23H232105.7°109.5°
C23C25C26114.3°109.5°
C23C25H251110.4°109.4°
C23C25H252110.4°109.5°
H231C23H232103.6°109.4°
C26C25H251110.5°109.5°
C26C25H252110.5°109.5°
C25C26C27114.4°109.5°
C25C26H261110.4°109.5°
C25C26H262110.4°109.5°
H251C25H25299.8°109.5°
C27C26H261110.4°109.5°
C27C26H262110.4°109.4°
C26C27C28127.2°109.5°
C26C27H271106.0°109.4°
C26C27H272106.0°109.5°
H261C26H26299.8°109.4°
C28C27H271106.0°109.5°
C28C27H272106.0°109.4°
C27C28C29117.6°109.6°
C27C28C30121.0°109.5°
C27C28H2892.4°109.5°
H271C27H272103.4°109.5°
C29C28C30113.4°109.5°
C29C28H28106.3°109.4°
C28C29H291117.6°109.6°
C28C29H292109.2°109.5°
C28C29H293109.3°109.4°
C30C28H28100.1°109.4°
C28C30H301121.1°109.4°
C28C30H302108.1°109.5°
C28C30H303108.1°109.5°
H291C29H292109.3°109.5°
H291C29H293109.3°109.4°
H292C29H293100.8°109.4°
H301C30H302108.1°109.5°
H301C30H303108.1°109.4°
H302C30H303101.8°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H11H12A125.2°120.1°
C2C1H11H13125.3°119.9°
C2C1H12AH13115.7°120.0°
C1C2C3C4162.9°120.0°
C1C2C3H2104.4°120.0°
C1C2C4H291.8°120.1°
C1C2C3H31179.9°60.0°
C1C2C3H3254.7°180.0°
C1C2C3H3354.8°60.0°
C1C2C4C572.9°180.0°
C1C2C4H4152.4°60.0°
C1C2C4H42161.8°59.9°
H11C1H12AH13115.9°119.9°
H11C1C2C3180.0°60.1°
H11C1C2C417.9°59.9°
H11C1C2H268.0°180.0°
H12AC1C2C354.7°60.0°
H12AC1C2C4143.1°180.0°
H12AC1C2H257.3°59.9°
H13C1C2C354.7°180.0°
H13C1C2C4107.5°60.0°
H13C1C2H2166.7°60.1°
C3C2C4H2106.6°119.9°
C2C3H31H32125.4°120.0°
C2C3H31H33125.3°120.0°
C2C3H32H33115.9°120.0°
C3C2C4C5125.5°60.1°
C3C2C4H41109.2°179.9°
C3C2C4H420.3°60.1°
C4C2C3H3117.1°60.0°
C4C2C3H32108.2°60.0°
C4C2C3H33142.3°180.0°
C2C4C5H41125.3°119.9°
C2C4C5H42125.2°120.1°
C2C4H41H42110.5°119.9°
C2C4C5C654.1°180.0°
C2C4C5H5171.1°60.1°
C2C4C5H52179.3°59.9°
H2C2C3H3175.6°180.0°
H2C2C3H32159.1°60.0°
H2C2C3H3349.6°60.0°
H2C2C4C518.9°59.9°
H2C2C4H41144.2°60.1°
H2C2C4H42106.4°180.0°
H31C3H32H33115.7°120.0°
C5C4H41H42110.6°120.0°
C4C5C6H51125.2°119.9°
C4C5C6H52125.2°120.1°
C4C5H51H52116.1°120.0°
C4C5C6C7119.4°180.0°
C4C5C6H61115.3°60.0°
C4C5C6H625.9°59.9°
H41C4C5C6179.4°60.1°
H41C4C5H5154.1°180.0°
H41C4C5H5255.4°60.1°
H42C4C5C671.1°59.9°
H42C4C5H51163.7°60.0°
H42C4C5H5254.1°180.0°
C6C5H51H52116.1°120.0°
C5C6C7H61125.3°120.0°
C5C6C7H62125.3°120.1°
C5C6H61H62115.9°120.0°
C5C6C7C954.8°180.0°
C5C6C7H7170.5°60.1°
C5C6C7H72179.9°59.9°
H51C5C6C75.8°60.1°
H51C5C6H61119.5°180.0°
H51C5C6H62131.1°60.1°
H52C5C6C7115.4°59.9°
H52C5C6H6110.0°60.1°
H52C5C6H62119.4°180.0°
C7C6H61H62115.9°120.0°
C6C7C9H71125.3°120.0°
C6C7C9H72125.3°120.1°
C6C7H71H72111.6°120.1°
C6C7C9C10139.9°180.0°
C6C7C9H9194.8°60.0°
C6C7C9H9214.5°59.9°
H61C6C7C9179.9°60.0°
H61C6C7H7154.8°179.9°
H61C6C7H7254.6°60.1°
H62C6C7C970.5°59.9°
H62C6C7H71164.2°60.0°
H62C6C7H7254.8°180.0°
C9C7H71H72111.6°119.9°
C7C9C10H91125.3°120.0°
C7C9C10H92125.3°120.0°
C7C9H91H92110.3°119.9°
C7C9C10C11159.5°180.0°
C7C9C10H10134.2°60.0°
C7C9C10H10275.3°60.0°
H71C7C9C1014.6°60.0°
H71C7C9H91139.9°180.0°
H71C7C9H92110.8°60.0°
H72C7C9C1094.9°59.9°
H72C7C9H9130.4°60.1°
H72C7C9H92139.8°180.0°
C10C9H91H92110.5°120.0°
C9C10C11H101125.3°120.0°
C9C10C11H102125.2°120.0°
C9C10H101H102115.9°119.9°
C9C10C11C12162.7°180.0°
C9C10C11H11172.0°60.0°
C9C10C11H11237.4°59.9°
H91C9C10C1175.2°60.0°
H91C9C10H101159.5°180.0°
H91C9C10H10250.0°60.1°
H92C9C10C1134.2°60.0°
H92C9C10H10191.1°60.0°
H92C9C10H102159.5°180.0°
C11C10H101H102116.0°120.0°
C10C11C12H111125.3°120.0°
C10C11C12H112125.3°120.1°
C10C11H111H112115.4°120.0°
C10C11C12C136.4°59.9°
C10C11C12C14164.9°180.0°
C10C11C12H12106.6°60.0°
H101C10C11C1237.4°60.1°
H101C10C11H111162.7°180.0°
H101C10C11H11287.9°60.0°
H102C10C11C1272.1°60.0°
H102C10C11H11153.2°60.0°
H102C10C11H112162.6°179.9°
C12C11H111H112115.4°120.0°
C11C12C13C14160.6°120.1°
C11C12C13H1296.8°119.9°
C11C12C14H1285.6°119.9°
C11C12C13H131180.0°60.1°
C11C12C13H13254.7°59.9°
C11C12C13H13354.7°179.9°
C11C12C14C1516.4°180.0°
C11C12C14H141108.8°60.0°
C11C12C14H142141.6°59.9°
H111C11C12C13131.7°60.1°
H111C11C12C1469.8°60.0°
H111C11C12H1218.7°179.9°
H112C11C12C13118.9°180.0°
H112C11C12C1439.6°59.9°
H112C11C12H12128.1°60.0°
C13C12C14H12115.5°120.0°
C12C13H131H132125.3°120.0°
C12C13H131H133125.3°120.0°
C12C13H132H133115.3°120.0°
C13C12C14C15175.3°59.9°
C13C12C14H14150.0°60.0°
C13C12C14H14259.5°180.0°
C14C12C13H13119.4°60.0°
C14C12C13H132105.9°180.0°
C14C12C13H133144.6°59.9°
C12C14C15H141125.2°120.0°
C12C14C15H142125.2°120.1°
C12C14H141H142109.2°120.0°
C12C14C15C1649.1°180.0°
C12C14C15H151174.3°60.1°
C12C14C15H15276.2°59.9°
H12C12C13H13183.2°180.0°
H12C12C13H132151.6°60.0°
H12C12C13H13342.1°60.0°
H12C12C14C1569.2°60.1°
H12C12C14H141165.6°180.0°
H12C12C14H14256.0°60.0°
H131C13H132H133115.3°120.0°
C15C14H141H142109.3°119.9°
C14C15C16H151125.3°119.9°
C14C15C16H152125.2°120.1°
C14C15H151H152115.1°120.0°
C14C15C16C17104.7°180.0°
C14C15C16H16120.5°60.0°
C14C15C16H162130.1°59.9°
H141C14C15C1676.2°60.0°
H141C14C15H15149.1°180.0°
H141C14C15H152158.6°60.1°
H142C14C15C16174.3°59.9°
H142C14C15H15160.5°60.1°
H142C14C15H15249.0°180.0°
C16C15H151H152115.2°120.0°
C15C16C17H161125.2°120.0°
C15C16C17H162125.3°120.0°
C15C16H161H162116.7°119.9°
C15C16C17C18170.2°180.0°
C15C16C17H17164.5°60.0°
C15C16C17H17245.0°60.0°
H151C15C16C17130.0°60.0°
H151C15C16H161104.8°179.9°
H151C15C16H1624.8°60.0°
H152C15C16C1720.5°59.9°
H152C15C16H161145.7°60.1°
H152C15C16H162104.7°180.0°
C17C16H161H162116.6°120.0°
C16C17C18H171125.3°120.0°
C16C17C18H172125.3°120.0°
C16C17H171H172111.4°120.0°
C16C17C18C20131.2°180.0°
C16C17C18H181103.6°60.0°
C16C17C18H1826.0°59.9°
H161C16C17C1845.0°60.0°
H161C16C17H171170.3°180.0°
H161C16C17H17280.3°60.0°
H162C16C17C1864.5°60.0°
H162C16C17H17160.8°60.0°
H162C16C17H172170.2°180.0°
C18C17H171H172111.3°120.0°
C17C18C20H181125.2°120.0°
C17C18C20H182125.3°120.1°
C17C18H181H182111.7°119.9°
C17C18C20C21109.2°180.0°
C17C18C20H201125.6°60.1°
C17C18C20H20216.1°60.0°
H171C17C18C206.0°60.1°
H171C17C18H181131.2°180.0°
H171C17C18H182119.3°60.1°
H172C17C18C20103.5°60.0°
H172C17C18H18121.7°60.0°
H172C17C18H182131.3°179.9°
C20C18H181H182111.6°120.0°
C18C20C21H201125.3°119.9°
C18C20C21H202125.3°120.1°
C18C20H201H202117.1°120.1°
C18C20C21C22147.4°180.0°
C18C20C21H21187.3°60.0°
C18C20C21H21222.2°59.9°
H181C18C20C2116.1°60.0°
H181C18C20H201109.2°179.9°
H181C18C20H202141.3°60.1°
H182C18C20C21125.5°59.9°
H182C18C20H2010.3°60.0°
H182C18C20H202109.2°180.0°
C21C20H201H202117.0°120.0°
C20C21C22H211125.3°120.0°
C20C21C22H212125.3°120.1°
C20C21H211H212116.9°120.0°
C20C21C22C236.9°180.0°
C20C21C22H221132.2°60.1°
C20C21C22H222118.4°59.9°
H201C20C21C2222.1°60.1°
H201C20C21H211147.4°180.0°
H201C20C21H212103.1°60.1°
H202C20C21C2287.3°59.9°
H202C20C21H21138.0°60.1°
H202C20C21H212147.5°180.0°
C22C21H211H212116.8°120.0°
C21C22C23H221125.3°119.9°
C21C22C23H222125.3°120.1°
C21C22H221H222111.1°119.9°
C21C22C23C2555.4°180.0°
C21C22C23H231179.3°60.0°
C21C22C23H23269.9°59.9°
H211C21C22C23118.4°60.0°
H211C21C22H2216.9°180.0°
H211C21C22H222116.3°60.1°
H212C21C22C23132.2°59.9°
H212C21C22H221102.5°60.1°
H212C21C22H2226.9°180.0°
C23C22H221H222111.1°120.0°
C22C23C25H231125.3°120.0°
C22C23C25H232125.3°120.1°
C22C23H231H232111.0°120.0°
C22C23C25C26129.0°180.0°
C22C23C25H2513.7°60.1°
C22C23C25H252105.7°59.9°
H221C22C23C2569.9°60.1°
H221C22C23H23155.4°180.0°
H221C22C23H232164.8°60.1°
H222C22C23C25179.3°59.9°
H222C22C23H23154.1°60.0°
H222C22C23H23255.4°179.9°
C25C23H231H232111.0°120.0°
C23C25C26H251125.3°119.9°
C23C25C26H252125.3°120.0°
C23C25H251H252116.3°119.9°
C23C25C26C27116.6°180.0°
C23C25C26H261118.1°60.0°
C23C25C26H2628.7°60.0°
H231C23C25C26105.7°60.0°
H231C23C25H251129.0°180.0°
H231C23C25H25219.5°60.1°
H232C23C25C263.7°59.9°
H232C23C25H251121.6°60.1°
H232C23C25H252129.0°180.0°
C26C25H251H252116.3°120.0°
C25C26C27H261125.2°120.0°
C25C26C27H262125.3°120.0°
C25C26H261H262116.2°120.0°
C25C26C27C28135.1°180.0°
C25C26C27H27199.6°60.0°
C25C26C27H2729.8°60.0°
H251C25C26C278.7°60.0°
H251C25C26H261116.6°180.0°
H251C25C26H262134.0°60.0°
H252C25C26C27118.1°60.0°
H252C25C26H2617.1°60.0°
H252C25C26H262116.6°180.0°
C27C26H261H262116.3°119.9°
C26C27C28H271125.3°120.0°
C26C27C28H272125.2°120.0°
C26C27H271H272111.2°120.0°
C26C27C28C29150.4°180.0°
C26C27C28C303.6°59.9°
C26C27C28H2899.8°60.0°
H261C26C27C289.8°60.0°
H261C26C27H271135.1°180.0°
H261C26C27H272115.4°60.0°
H262C26C27C2899.7°60.0°
H262C26C27H27125.6°60.0°
H262C26C27H272135.1°179.9°
C28C27H271H272111.3°120.0°
C27C28C29C30149.2°120.1°
C27C28C29H28101.7°120.0°
C27C28C30H2899.1°120.0°
C27C28C29H291180.0°180.0°
C27C28C29H29254.7°59.9°
C27C28C29H29354.7°60.0°
C27C28C30H301180.0°60.1°
C27C28C30H30254.7°59.9°
C27C28C30H30354.7°180.0°
H271C27C28C2925.1°60.0°
H271C27C28C30121.7°60.0°
H271C27C28H28135.0°180.0°
H272C27C28C2984.4°60.0°
H272C27C28C30128.8°179.9°
H272C27C28H2825.5°60.0°
C29C28C30H28112.9°119.9°
C28C29H291H292125.2°120.1°
C28C29H291H293125.3°120.0°
C28C29H292H293115.0°119.9°
C29C28C30H30131.9°60.0°
C29C28C30H302157.2°179.9°
C29C28C30H30393.4°59.9°
C30C28C29H29130.8°59.9°
C30C28C29H29294.5°180.0°
C30C28C29H293156.0°60.1°
C28C30H301H302125.3°120.0°
C28C30H301H303125.3°120.0°
C28C30H302H303113.7°120.0°
H28C28C29H29178.3°60.0°
H28C28C29H292156.4°60.1°
H28C28C29H29347.0°180.0°
H28C28C30H30180.9°179.9°
H28C28C30H30244.4°60.0°
H28C28C30H303153.8°60.0°
H291C29H292H293115.1°119.9°
H301C30H302H303113.7°120.0°

222415

PDB entries from 2024-07-10

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