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TWT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.52Å
C1H1C1sing1.09Å1.12Å
C1H1C2sing1.09Å1.11Å
C1H1C3sing1.09Å1.11Å
C2C3sing1.53Å1.52Å
C2H2C1sing1.09Å1.11Å
C2H2C2sing1.09Å1.11Å
C3C4sing1.53Å1.53Å
C3H3C1sing1.09Å1.11Å
C3H3C2sing1.09Å1.11Å
C4C5sing1.53Å1.52Å
C4H4C1sing1.09Å1.11Å
C4H4C2sing1.09Å1.11Å
C5C6sing1.53Å1.52Å
C5H5C1sing1.09Å1.12Å
C5H5C2sing1.09Å1.11Å
C6C7sing1.53Å1.53Å
C6H6C1sing1.09Å1.12Å
C6H6C2sing1.09Å1.11Å
C7C8sing1.53Å1.53Å
C7H7C1sing1.09Å1.11Å
C7H7C2sing1.09Å1.12Å
C8C9sing1.53Å1.53Å
C8H8C1sing1.09Å1.12Å
C8H8C2sing1.09Å1.11Å
C9C10sing1.53Å1.53Å
C9H9C1sing1.09Å1.12Å
C9H9C2sing1.09Å1.11Å
C10C11sing1.53Å1.53Å
C10H101sing1.09Å1.12Å
C10H102sing1.09Å1.12Å
C11C12sing1.53Å1.52Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.11Å
C12C13sing1.53Å1.51Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.11Å
C13C14sing1.53Å1.52Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.12Å
C14C15sing1.53Å1.53Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.12Å
C15C16sing1.53Å1.52Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.12Å
C16C17sing1.53Å1.52Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
C17C18sing1.53Å1.52Å
C17H171sing1.09Å1.11Å
C17H172sing1.09Å1.12Å
C18C19sing1.53Å1.52Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.12Å
C19C20sing1.53Å1.52Å
C19H191sing1.09Å1.12Å
C19H192sing1.09Å1.12Å
C20C21sing1.53Å1.52Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.11Å
C21C22sing1.53Å1.52Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.12Å
C22H221sing1.09Å1.12Å
C22H222sing1.09Å1.11Å
C22H223sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1H1C1117.3°109.6°
C2C1H1C2109.4°109.5°
C2C1H1C3109.4°109.4°
C1C2C3117.3°109.5°
C1C2H2C1109.4°109.4°
C1C2H2C2109.4°109.5°
H1C1C1H1C2109.4°109.5°
H1C1C1H1C3109.3°109.4°
H1C2C1H1C3100.7°109.4°
C3C2H2C1109.4°109.4°
C3C2H2C2109.4°109.5°
C2C3C4117.5°109.5°
C2C3H3C1109.3°109.4°
C2C3H3C2109.3°109.5°
H2C1C2H2C2100.7°109.5°
C4C3H3C1109.3°109.4°
C4C3H3C2109.3°109.5°
C3C4C5117.4°109.5°
C3C4H4C1109.3°109.5°
C3C4H4C2109.3°109.5°
H3C1C3H3C2100.8°109.5°
C5C4H4C1109.4°109.4°
C5C4H4C2109.3°109.4°
C4C5C6117.7°109.5°
C4C5H5C1109.3°109.5°
C4C5H5C2109.3°109.5°
H4C1C4H4C2100.8°109.5°
C6C5H5C1109.2°109.4°
C6C5H5C2109.2°109.5°
C5C6C7117.5°109.6°
C5C6H6C1109.3°109.4°
C5C6H6C2109.3°109.5°
H5C1C5H5C2100.9°109.4°
C7C6H6C1109.3°109.4°
C7C6H6C2109.3°109.5°
C6C7C8117.4°109.5°
C6C7H7C1109.3°109.4°
C6C7H7C2109.3°109.5°
H6C1C6H6C2100.8°109.4°
C8C7H7C1109.3°109.4°
C8C7H7C2109.3°109.5°
C7C8C9117.1°109.5°
C7C8H8C1109.5°109.4°
C7C8H8C2109.5°109.5°
H7C1C7H7C2100.8°109.4°
C9C8H8C1109.4°109.4°
C9C8H8C2109.4°109.5°
C8C9C10118.0°109.5°
C8C9H9C1109.2°109.4°
C8C9H9C2109.1°109.5°
H8C1C8H8C2100.7°109.5°
C10C9H9C1109.1°109.4°
C10C9H9C2109.1°109.5°
C9C10C11117.0°109.6°
C9C10H101109.5°109.4°
C9C10H102109.5°109.5°
H9C1C9H9C2100.9°109.5°
C11C10H101109.5°109.4°
C11C10H102109.5°109.5°
C10C11C12117.8°109.5°
C10C11H111109.2°109.4°
C10C11H112109.2°109.5°
H101C10H102100.6°109.4°
C12C11H111109.2°109.4°
C12C11H112109.2°109.5°
C11C12C13117.1°109.5°
C11C12H121109.5°109.4°
C11C12H122109.5°109.5°
H111C11H112100.8°109.4°
C13C12H121109.5°109.4°
C13C12H122109.4°109.5°
C12C13C14117.0°109.6°
C12C13H131109.5°109.4°
C12C13H132109.5°109.5°
H121C12H122100.7°109.4°
C14C13H131109.5°109.4°
C14C13H132109.5°109.5°
C13C14C15117.1°109.5°
C13C14H141109.5°109.4°
C13C14H142109.5°109.5°
H131C13H132100.6°109.4°
C15C14H141109.5°109.4°
C15C14H142109.5°109.5°
C14C15C16117.9°109.5°
C14C15H151109.2°109.4°
C14C15H152109.2°109.5°
H141C14H142100.7°109.5°
C16C15H151109.2°109.4°
C16C15H152109.2°109.5°
C15C16C17117.2°109.5°
C15C16H161109.4°109.4°
C15C16H162109.4°109.5°
H151C15H152100.9°109.5°
C17C16H161109.4°109.4°
C17C16H162109.4°109.5°
C16C17C18117.3°109.6°
C16C17H171109.4°109.4°
C16C17H172109.4°109.5°
H161C16H162100.7°109.4°
C18C17H171109.4°109.4°
C18C17H172109.4°109.5°
C17C18C19117.0°109.5°
C17C18H181109.5°109.4°
C17C18H182109.5°109.5°
H171C17H172100.7°109.4°
C19C18H181109.5°109.5°
C19C18H182109.5°109.5°
C18C19C20117.4°109.5°
C18C19H191109.3°109.4°
C18C19H192109.3°109.4°
H181C18H182100.6°109.4°
C20C19H191109.3°109.5°
C20C19H192109.3°109.5°
C19C20C21117.0°109.5°
C19C20H201109.5°109.4°
C19C20H202109.5°109.5°
H191C19H192100.8°109.5°
C21C20H201109.5°109.4°
C21C20H202109.5°109.5°
C20C21C22117.2°109.5°
C20C21H211109.4°109.4°
C20C21H212109.4°109.5°
H201C20H202100.7°109.5°
C22C21H211109.4°109.4°
C22C21H212109.4°109.5°
C21C22H221117.2°109.6°
C21C22H222109.4°109.4°
C21C22H223109.4°109.5°
H211C21H212100.7°109.5°
H221C22H222109.4°109.4°
H221C22H223109.4°109.5°
H222C22H223100.7°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1H1C1H1C2125.3°120.1°
C2C1H1C1H1C3125.3°120.0°
C2C1H1C2H1C3115.2°119.9°
C1C2C3H2C1125.3°119.9°
C1C2C3H2C2125.3°120.1°
C1C2H2C1H2C2115.2°120.0°
C1C2C3C4144.0°180.0°
C1C2C3H3C118.7°60.1°
C1C2C3H3C290.8°59.9°
H1C1C1H1C2H1C3115.1°119.9°
H1C1C1C2C3180.0°180.0°
H1C1C1C2H2C154.8°60.1°
H1C1C1C2H2C254.7°59.9°
H1C2C1C2C354.7°59.9°
H1C2C1C2H2C170.5°60.0°
H1C2C1C2H2C2180.0°180.0°
H1C3C1C2C354.8°60.0°
H1C3C1C2H2C1180.0°179.9°
H1C3C1C2H2C270.5°60.1°
C3C2H2C1H2C2115.1°120.0°
C2C3C4H3C1125.2°119.9°
C2C3C4H3C2125.3°120.1°
C2C3H3C1H3C2115.1°120.0°
C2C3C4C5107.4°180.0°
C2C3C4H4C1127.3°60.1°
C2C3C4H4C217.8°60.0°
H2C1C2C3C490.8°60.1°
H2C1C2C3H3C1144.0°180.0°
H2C1C2C3H3C234.5°60.0°
H2C2C2C3C418.7°59.9°
H2C2C2C3H3C1106.6°60.0°
H2C2C2C3H3C2143.9°180.0°
C4C3H3C1H3C2115.0°120.0°
C3C4C5H4C1125.3°120.0°
C3C4C5H4C2125.3°120.1°
C3C4H4C1H4C2115.1°120.1°
C3C4C5C6152.0°180.0°
C3C4C5H5C126.8°60.0°
C3C4C5H5C282.7°59.9°
H3C1C3C4C517.8°60.1°
H3C1C3C4H4C1107.5°180.0°
H3C1C3C4H4C2143.1°59.9°
H3C2C3C4C5127.3°59.9°
H3C2C3C4H4C12.0°60.0°
H3C2C3C4H4C2107.4°179.9°
C5C4H4C1H4C2115.1°119.9°
C4C5C6H5C1125.3°120.0°
C4C5C6H5C2125.3°120.1°
C4C5H5C1H5C2115.0°120.0°
C4C5C6C7167.3°180.0°
C4C5C6H6C167.4°60.0°
C4C5C6H6C242.0°59.9°
H4C1C4C5C682.7°60.0°
H4C1C4C5H5C1152.1°180.0°
H4C1C4C5H5C242.6°60.0°
H4C2C4C5C626.8°59.9°
H4C2C4C5H5C198.5°60.0°
H4C2C4C5H5C2152.1°180.0°
C6C5H5C1H5C2115.0°120.0°
C5C6C7H6C1125.2°120.0°
C5C6C7H6C2125.3°120.1°
C5C6H6C1H6C2115.1°120.0°
C5C6C7C8158.4°180.0°
C5C6C7H7C133.2°60.0°
C5C6C7H7C276.4°59.9°
H5C1C5C6C742.0°60.0°
H5C1C5C6H6C1167.3°180.0°
H5C1C5C6H6C283.2°60.1°
H5C2C5C6C767.4°59.9°
H5C2C5C6H6C157.8°60.1°
H5C2C5C6H6C2167.3°180.0°
C7C6H6C1H6C2115.0°120.0°
C6C7C8H7C1125.2°120.0°
C6C7C8H7C2125.3°120.1°
C6C7H7C1H7C2115.1°120.0°
C6C7C8C923.4°180.0°
C6C7C8H8C1148.7°60.0°
C6C7C8H8C2101.9°59.9°
H6C1C6C7C876.4°60.0°
H6C1C6C7H7C1158.4°180.0°
H6C1C6C7H7C248.9°60.1°
H6C2C6C7C833.1°59.9°
H6C2C6C7H7C192.1°60.1°
H6C2C6C7H7C2158.4°180.0°
C8C7H7C1H7C2115.1°120.0°
C7C8C9H8C1125.3°120.0°
C7C8C9H8C2125.3°120.0°
C7C8H8C1H8C2115.2°120.0°
C7C8C9C10168.5°180.0°
C7C8C9H9C166.2°60.1°
C7C8C9H9C243.2°59.9°
H7C1C7C8C9101.9°60.0°
H7C1C7C8H8C123.4°180.0°
H7C1C7C8H8C2132.9°60.0°
H7C2C7C8C9148.6°59.9°
H7C2C7C8H8C186.1°60.0°
H7C2C7C8H8C223.4°180.0°
C9C8H8C1H8C2115.2°120.0°
C8C9C10H9C1125.3°119.9°
C8C9C10H9C2125.3°120.1°
C8C9H9C1H9C2114.9°120.0°
C8C9C10C11100.3°180.0°
C8C9C10H101134.4°60.0°
C8C9C10H10225.0°59.9°
H8C1C8C9C1043.2°60.1°
H8C1C8C9H9C1168.5°180.0°
H8C1C8C9H9C282.0°60.0°
H8C2C8C9C1066.2°59.9°
H8C2C8C9H9C159.0°60.0°
H8C2C8C9H9C2168.5°180.0°
C10C9H9C1H9C2114.8°120.0°
C9C10C11H101125.3°119.9°
C9C10C11H102125.3°120.1°
C9C10H101H102115.2°120.0°
C9C10C11C12127.0°180.0°
C9C10C11H111107.7°60.1°
C9C10C11H1121.7°59.9°
H9C1C9C10C1125.0°60.1°
H9C1C9C10H101100.3°180.0°
H9C1C9C10H102150.3°60.0°
H9C2C9C10C11134.4°59.9°
H9C2C9C10H1019.2°60.1°
H9C2C9C10H102100.3°NaN°
C11C10H101H102115.2°120.0°
C10C11C12H111125.3°119.9°
C10C11C12H112125.3°120.1°
C10C11H111H112115.0°120.0°
C10C11C12C13152.1°180.0°
C10C11C12H12182.6°60.1°
C10C11C12H12226.9°59.9°
H101C10C11C121.7°60.1°
H101C10C11H111127.0°180.0°
H101C10C11H112123.6°60.1°
H102C10C11C12107.8°59.9°
H102C10C11H11117.5°60.1°
H102C10C11H112127.0°180.0°
C12C11H111H112115.0°120.0°
C11C12C13H121125.3°119.9°
C11C12C13H122125.3°120.1°
C11C12H121H122115.2°120.0°
C11C12C13C1497.4°180.0°
C11C12C13H13127.9°60.1°
C11C12C13H132137.3°59.9°
H111C11C12C1326.8°60.1°
H111C11C12H121152.1°180.0°
H111C11C12H12298.4°60.0°
H112C11C12C1382.6°59.9°
H112C11C12H12142.7°60.0°
H112C11C12H122152.2°180.0°
C13C12H121H122115.2°120.0°
C12C13C14H131125.3°119.9°
C12C13C14H132125.3°120.1°
C12C13H131H132115.2°120.0°
C12C13C14C15177.3°180.0°
C12C13C14H14157.5°60.1°
C12C13C14H14252.0°59.9°
H121C12C13C14137.3°60.1°
H121C12C13H13197.4°180.0°
H121C12C13H13212.0°60.1°
H122C12C13C1427.8°59.9°
H122C12C13H131153.1°60.1°
H122C12C13H13297.4°180.0°
C14C13H131H132115.3°120.0°
C13C14C15H141125.3°119.9°
C13C14C15H142125.3°120.1°
C13C14H141H142115.2°120.0°
C13C14C15C16108.3°180.0°
C13C14C15H15116.9°60.1°
C13C14C15H152126.4°59.9°
H131C13C14C1552.0°60.0°
H131C13C14H141177.3°180.0°
H131C13C14H14273.3°60.1°
H132C13C14C1557.5°59.9°
H132C13C14H14167.8°60.0°
H132C13C14H142177.3°180.0°
C15C14H141H142115.2°120.0°
C14C15C16H151125.2°120.0°
C14C15C16H152125.3°120.1°
C14C15H151H152114.9°120.0°
C14C15C16C17126.0°180.0°
C14C15C16H1610.7°60.0°
C14C15C16H162108.8°59.9°
H141C14C15C16126.4°60.1°
H141C14C15H151108.4°180.0°
H141C14C15H1521.1°60.0°
H142C14C15C1616.9°59.9°
H142C14C15H151142.2°60.0°
H142C14C15H152108.3°180.0°
C16C15H151H152114.9°120.0°
C15C16C17H161125.2°120.0°
C15C16C17H162125.3°120.1°
C15C16H161H162115.2°120.0°
C15C16C17C18131.5°180.0°
C15C16C17H1716.2°60.0°
C15C16C17H172103.3°59.9°
H151C15C16C17108.8°60.0°
H151C15C16H161126.0°180.0°
H151C15C16H16216.5°60.0°
H152C15C16C170.7°59.9°
H152C15C16H161124.6°60.0°
H152C15C16H162125.9°180.0°
C17C16H161H162115.2°120.0°
C16C17C18H171125.3°120.0°
C16C17C18H172125.3°120.1°
C16C17H171H172115.2°120.0°
C16C17C18C19156.8°180.0°
C16C17C18H18131.5°60.0°
C16C17C18H18277.9°59.9°
H161C16C17C18103.3°60.0°
H161C16C17H171131.4°180.0°
H161C16C17H17222.0°60.1°
H162C16C17C186.2°59.9°
H162C16C17H171119.1°60.1°
H162C16C17H172131.5°180.0°
C18C17H171H172115.1°120.0°
C17C18C19H181125.3°120.0°
C17C18C19H182125.3°120.1°
C17C18H181H182115.2°120.0°
C17C18C19C20176.3°180.0°
C17C18C19H19158.5°60.0°
C17C18C19H19251.0°59.9°
H171C17C18C1977.9°60.0°
H171C17C18H181156.8°180.0°
H171C17C18H18247.4°60.1°
H172C17C18C1931.5°59.9°
H172C17C18H18193.7°60.1°
H172C17C18H182156.8°180.0°
C19C18H181H182115.3°120.0°
C18C19C20H191125.2°119.9°
C18C19C20H192125.2°120.0°
C18C19H191H192115.1°119.9°
C18C19C20C21143.8°180.0°
C18C19C20H20118.6°60.1°
C18C19C20H20290.9°59.9°
H181C18C19C2051.0°60.0°
H181C18C19H191176.3°180.0°
H181C18C19H19274.2°60.0°
H182C18C19C2058.4°59.9°
H182C18C19H19166.8°60.0°
H182C18C19H192176.3°180.0°
C20C19H191H192115.1°120.1°
C19C20C21H201125.3°119.9°
C19C20C21H202125.3°120.1°
C19C20H201H202115.3°120.0°
C19C20C21C22176.9°180.0°
C19C20C21H21151.6°60.1°
C19C20C21H21257.9°59.9°
H191C19C20C2190.9°60.1°
H191C19C20H201143.8°180.0°
H191C19C20H20234.3°60.0°
H192C19C20C2118.6°60.0°
H192C19C20H201106.7°59.9°
H192C19C20H202143.8°179.9°
C21C20H201H202115.2°120.0°
C20C21C22H211125.3°119.9°
C20C21C22H212125.3°120.1°
C20C21H211H212115.2°120.0°
C20C21C22H221180.0°180.0°
C20C21C22H22254.7°60.0°
C20C21C22H22354.7°59.9°
H201C20C21C2257.9°60.1°
H201C20C21H211176.9°180.0°
H201C20C21H21267.4°60.0°
H202C20C21C2251.6°59.9°
H202C20C21H21173.7°60.0°
H202C20C21H212176.8°180.0°
C22C21H211H212115.1°120.0°
C21C22H221H222125.2°120.0°
C21C22H221H223125.2°120.1°
C21C22H222H223115.1°119.9°
H211C21C22H22154.7°60.1°
H211C21C22H222180.0°179.9°
H211C21C22H22370.5°60.0°
H212C21C22H22154.7°59.9°
H212C21C22H22270.5°60.1°
H212C21C22H223180.0°180.0°
H221C22H222H223115.2°120.0°

221051

PDB entries from 2024-06-12

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