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TRT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C25O24sing1.43Å1.43Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25H253sing1.09Å1.10Å
O24C23sing1.43Å1.43Å
C23C22sing1.53Å1.52Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C22O21sing1.43Å1.43Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
O21C20sing1.43Å1.43Å
C20C19sing1.53Å1.52Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C19O18sing1.43Å1.43Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
O18C17sing1.43Å1.43Å
C17C16sing1.53Å1.52Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C16O15sing1.43Å1.42Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
O15C12sing1.36Å1.36Å
C12C13doub1.39Å1.39ÅAromatic
C12C11sing1.39Å1.39ÅAromatic
C13C14sing1.38Å1.39ÅAromatic
C13H13sing1.08Å1.06Å
C14C9doub1.38Å1.40ÅAromatic
C14H14sing1.08Å1.06Å
C11C10doub1.38Å1.39ÅAromatic
C11H11sing1.08Å1.06Å
C10C9sing1.38Å1.40ÅAromatic
C10H10sing1.08Å1.06Å
C9C6sing1.51Å1.51Å
C6C8sing1.53Å1.52Å
C6C7sing1.53Å1.53Å
C6C5sing1.53Å1.54Å
C8H8C1sing1.09Å1.10Å
C8H8C2sing1.09Å1.10Å
C8H8C3sing1.09Å1.10Å
C7H7C1sing1.09Å1.10Å
C7H7C2sing1.09Å1.10Å
C7H7C3sing1.09Å1.10Å
C5C1sing1.53Å1.54Å
C5H5C1sing1.09Å1.10Å
C5H5C2sing1.09Å1.10Å
C1C2sing1.53Å1.53Å
C1C4sing1.53Å1.52Å
C1C3sing1.53Å1.52Å
C2H2C1sing1.09Å1.10Å
C2H2C2sing1.09Å1.10Å
C2H2C3sing1.09Å1.10Å
C4H4C1sing1.09Å1.10Å
C4H4C2sing1.09Å1.10Å
C4H4C3sing1.09Å1.10Å
C3H3C1sing1.09Å1.10Å
C3H3C2sing1.09Å1.10Å
C3H3C3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O24C25H251109.5°109.5°
O24C25H252109.5°109.5°
O24C25H253109.5°109.5°
C25O24C23112.5°106.8°
H251C25H252109.5°109.5°
H251C25H253109.5°109.4°
H252C25H253109.5°109.5°
O24C23C22109.7°109.5°
O24C23H231109.4°109.5°
O24C23H232109.4°109.4°
C22C23H231109.4°109.5°
C22C23H232109.4°109.4°
C23C22O21109.7°109.5°
C23C22H221109.4°109.5°
C23C22H222109.4°109.5°
H231C23H232109.6°109.5°
O21C22H221109.4°109.5°
O21C22H222109.3°109.5°
C22O21C20112.1°106.8°
H221C22H222109.6°109.4°
O21C20C19108.9°109.4°
O21C20H201109.6°109.5°
O21C20H202109.8°109.4°
C19C20H201109.6°109.5°
C19C20H202109.8°109.5°
C20C19O18110.5°109.5°
C20C19H191109.2°109.4°
C20C19H192108.8°109.4°
H201C20H202109.1°109.5°
O18C19H191109.2°109.5°
O18C19H192108.9°109.5°
C19O18C17113.3°106.8°
H191C19H192110.2°109.4°
O18C17C16108.6°109.5°
O18C17H171109.7°109.5°
O18C17H172109.9°109.5°
C16C17H171109.7°109.4°
C16C17H172109.9°109.4°
C17C16O15110.9°109.4°
C17C16H161109.1°109.5°
C17C16H162108.6°109.5°
H171C17H172109.0°109.5°
O15C16H161109.1°109.4°
O15C16H162108.7°109.5°
C16O15C12119.1°106.8°
H161C16H162110.4°109.5°
O15C12C13119.8°120.1°
O15C12C11119.9°120.1°
C13C12C11120.3°119.8°
C12C13C14119.7°119.9°
C12C13H13120.1°120.0°
C12C11C10119.8°120.0°
C12C11H11120.1°120.0°
C14C13H13120.1°120.1°
C13C14C9120.6°120.1°
C13C14H14119.7°119.9°
C9C14H14119.7°120.0°
C14C9C10119.0°120.1°
C14C9C6120.2°120.0°
C10C11H11120.1°120.0°
C11C10C9120.5°120.0°
C11C10H10119.7°120.0°
C9C10H10119.8°120.0°
C10C9C6120.7°119.9°
C9C6C8105.9°109.5°
C9C6C7108.8°109.5°
C9C6C5115.2°109.5°
C8C6C7107.3°109.4°
C8C6C5107.4°109.5°
C6C8H8C1109.5°109.5°
C6C8H8C2109.5°109.5°
C6C8H8C3109.5°109.5°
C7C6C5111.7°109.5°
C6C7H7C1109.5°109.5°
C6C7H7C2109.5°109.5°
C6C7H7C3109.5°109.5°
C6C5C1122.8°109.5°
C6C5H5C1106.0°109.5°
C6C5H5C2101.6°109.5°
H8C1C8H8C2109.4°109.4°
H8C1C8H8C3109.5°109.5°
H8C2C8H8C3109.5°109.5°
H7C1C7H7C2109.5°109.4°
H7C1C7H7C3109.5°109.5°
H7C2C7H7C3109.5°109.4°
C1C5H5C1106.0°109.5°
C1C5H5C2101.7°109.4°
C5C1C2113.3°109.5°
C5C1C4107.7°109.5°
C5C1C3113.5°109.5°
H5C1C5H5C2119.8°109.5°
C2C1C4107.0°109.4°
C2C1C3108.1°109.5°
C1C2H2C1109.5°109.4°
C1C2H2C2109.5°109.4°
C1C2H2C3109.4°109.5°
C4C1C3106.8°109.4°
C1C4H4C1109.5°109.5°
C1C4H4C2109.5°109.4°
C1C4H4C3109.4°109.5°
C1C3H3C1109.5°109.4°
C1C3H3C2109.5°109.5°
C1C3H3C3109.5°109.5°
H2C1C2H2C2109.4°109.5°
H2C1C2H2C3109.5°109.5°
H2C2C2H2C3109.5°109.5°
H4C1C4H4C2109.5°109.4°
H4C1C4H4C3109.4°109.5°
H4C2C4H4C3109.5°109.4°
H3C1C3H3C2109.5°109.4°
H3C1C3H3C3109.4°109.4°
H3C2C3H3C3109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O24C25H251H252120.0°120.0°
O24C25H251H253120.0°120.0°
O24C25H252H253120.0°120.0°
C25O24C23C22112.3°180.0°
C25O24C23H2317.7°60.0°
C25O24C23H232127.8°60.0°
H251C25H252H253120.0°120.0°
H251C25O24C2321.9°179.9°
H252C25O24C23141.9°60.1°
H253C25O24C2398.1°60.0°
O24C23C22H231120.0°120.1°
O24C23C22H232119.9°120.0°
O24C23H231H232119.9°120.0°
O24C23C22O2148.2°60.0°
O24C23C22H221168.3°180.0°
O24C23C22H22271.7°59.9°
C22C23H231H232119.9°120.0°
C23C22O21H221120.0°120.0°
C23C22O21H222119.9°120.0°
C23C22H221H222119.9°120.0°
C23C22O21C20152.2°180.0°
H231C23C22O2171.8°60.0°
H231C23C22H22148.3°60.0°
H231C23C22H222168.3°180.0°
H232C23C22O21168.1°180.0°
H232C23C22H22171.8°60.0°
H232C23C22H22248.3°60.0°
O21C22H221H222119.9°120.0°
C22O21C20C19167.4°180.0°
C22O21C20H20147.5°60.0°
C22O21C20H20272.4°60.0°
H221C22O21C2087.8°59.9°
H222C22O21C2032.3°60.0°
O21C20C19H201119.9°120.0°
O21C20C19H202120.3°120.0°
O21C20H201H202120.3°120.0°
O21C20C19O18107.4°60.0°
O21C20C19H19112.7°179.9°
O21C20C19H192133.1°60.0°
C19C20H201H202120.3°120.0°
C20C19O18H191120.1°120.0°
C20C19O18H192119.5°120.0°
C20C19H191H192119.5°119.9°
C20C19O18C17178.6°180.0°
H201C20C19O18132.7°60.0°
H201C20C19H191107.2°60.1°
H201C20C19H19213.1°180.0°
H202C20C19O1812.9°180.0°
H202C20C19H191133.0°60.0°
H202C20C19H192106.7°60.0°
O18C19H191H192119.6°120.1°
C19O18C17C1683.7°180.0°
C19O18C17H171156.4°60.0°
C19O18C17H17236.7°60.0°
H191C19O18C1761.3°60.0°
H192C19O18C1759.1°60.0°
O18C17C16H171119.8°120.1°
O18C17C16H172120.4°120.0°
O18C17H171H172120.4°120.1°
O18C17C16O15154.9°60.0°
O18C17C16H16184.9°180.0°
O18C17C16H16235.6°60.0°
C16C17H171H172120.4°119.9°
C17C16O15H161120.2°120.0°
C17C16O15H162119.3°120.0°
C17C16H161H162119.3°120.1°
C17C16O15C12165.8°180.0°
H171C17C16O1535.1°60.0°
H171C17C16H161155.3°59.9°
H171C17C16H16284.3°180.0°
H172C17C16O1584.7°180.0°
H172C17C16H16135.5°60.0°
H172C17C16H162155.9°60.0°
O15C16H161H162119.4°120.0°
C16O15C12C1324.5°180.0°
C16O15C12C11155.6°0.3°
H161C16O15C1274.0°60.1°
H162C16O15C1246.4°60.0°
O15C12C13C11179.9°179.7°
O15C12C13C14179.5°180.0°
O15C12C13H130.5°0.0°
O15C12C11C10179.7°179.8°
O15C12C11H110.2°0.3°
C12C13C14H13180.0°180.0°
C12C13C14C90.0°0.0°
C12C13C14H14180.0°180.0°
C13C12C11C100.3°0.5°
C13C12C11H11179.7°180.0°
C11C12C13C140.6°0.2°
C11C12C13H13179.5°179.8°
C12C11C10H11180.0°179.5°
C12C11C10C90.4°0.6°
C12C11C10H10179.6°179.7°
C13C14C9H14180.0°180.0°
C13C14C9C100.7°0.1°
C13C14C9C6179.5°180.0°
H13C13C14C9180.0°180.0°
H13C13C14H140.0°0.0°
C14C9C10C110.9°0.3°
C14C9C10C6178.7°179.9°
C14C9C10H10179.1°180.0°
C14C9C6C855.9°59.9°
C14C9C6C7170.9°60.0°
C14C9C6C562.7°180.0°
H14C14C9C10179.3°179.9°
H14C14C9C60.6°0.0°
C11C10C9H10180.0°179.7°
C11C10C9C6179.7°179.7°
H11C11C10C9179.6°180.0°
H11C11C10H100.4°0.3°
C10C9C6C8122.9°120.0°
C10C9C6C77.8°120.1°
C10C9C6C5118.6°0.1°
H10C10C9C60.3°0.0°
C9C6C8C7116.1°120.0°
C9C6C8C5123.6°120.0°
C9C6C7C5128.4°120.0°
C9C6C8H8C19.6°74.6°
C9C6C8H8C2110.4°45.3°
C9C6C8H8C3129.6°165.3°
C9C6C7H7C116.0°103.0°
C9C6C7H7C2136.0°137.0°
C9C6C7H7C3104.0°17.1°
C9C6C5C156.8°168.0°
C9C6C5H5C1178.6°72.0°
C9C6C5H5C255.4°48.0°
C8C6C7C5117.4°120.0°
C6C8H8C1H8C2120.0°120.0°
C6C8H8C1H8C3120.0°120.0°
C6C8H8C2H8C3120.0°120.0°
C8C6C7H7C198.2°137.0°
C8C6C7H7C221.8°17.1°
C8C6C7H7C3141.8°102.9°
C8C6C5C1174.6°47.9°
C8C6C5H5C163.6°167.9°
C8C6C5H5C262.4°72.1°
C7C6C8H8C1106.6°165.4°
C7C6C8H8C2133.5°74.7°
C7C6C8H8C313.5°45.3°
C6C7H7C1H7C2120.0°120.0°
C6C7H7C1H7C3120.0°120.1°
C6C7H7C2H7C3120.0°120.0°
C7C6C5C168.1°72.1°
C7C6C5H5C153.7°47.9°
C7C6C5H5C2179.7°168.0°
C5C6C8H8C1133.2°45.4°
C5C6C8H8C213.2°165.3°
C5C6C8H8C3106.8°74.6°
C5C6C7H7C1144.4°17.0°
C5C6C7H7C295.6°103.0°
C5C6C7H7C324.4°137.1°
C6C5C1H5C1121.8°120.0°
C6C5C1H5C2112.2°120.0°
C6C5H5C1H5C2113.9°120.0°
C6C5C1C258.8°44.0°
C6C5C1C4177.0°163.9°
C6C5C1C365.0°76.1°
H8C1C8H8C2H8C3120.0°120.0°
H7C1C7H7C2H7C3120.0°119.9°
C1C5H5C1H5C2114.0°119.9°
C5C1C2C4118.5°120.0°
C5C1C2C3126.7°120.0°
C5C1C4C3122.3°120.0°
C5C1C2H2C126.2°165.2°
C5C1C2H2C293.7°74.8°
C5C1C2H2C3146.3°45.2°
C5C1C4H4C113.4°55.2°
C5C1C4H4C2133.5°64.8°
C5C1C4H4C3106.5°175.3°
C5C1C3H3C194.1°82.3°
C5C1C3H3C225.9°157.8°
C5C1C3H3C3145.9°37.6°
H5C1C5C1C2179.4°76.1°
H5C1C5C1C461.2°43.9°
H5C1C5C1C356.8°163.9°
H5C2C5C1C253.4°164.0°
H5C2C5C1C464.8°76.1°
H5C2C5C1C3177.2°43.9°
C2C1C4C3115.6°120.0°
C1C2H2C1H2C2120.0°119.9°
C1C2H2C1H2C3120.0°120.0°
C1C2H2C2H2C3120.0°120.0°
C2C1C4H4C1108.7°64.8°
C2C1C4H4C211.3°175.3°
C2C1C4H4C3131.3°55.3°
C2C1C3H3C132.5°37.7°
C2C1C3H3C2152.5°82.2°
C2C1C3H3C387.5°157.6°
C4C1C2H2C192.3°45.2°
C4C1C2H2C2147.8°165.2°
C4C1C2H2C327.7°74.8°
C1C4H4C1H4C2120.0°119.9°
C1C4H4C1H4C3120.0°120.1°
C1C4H4C2H4C3120.0°120.0°
C4C1C3H3C1147.4°157.6°
C4C1C3H3C292.6°37.7°
C4C1C3H3C327.4°82.5°
C3C1C2H2C1153.0°74.7°
C3C1C2H2C233.0°45.3°
C3C1C2H2C387.0°165.3°
C3C1C4H4C1135.7°175.2°
C3C1C4H4C2104.3°55.3°
C3C1C4H4C315.7°64.7°
C1C3H3C1H3C2120.0°120.0°
C1C3H3C1H3C3120.0°120.0°
C1C3H3C2H3C3120.0°120.1°
H2C1C2H2C2H2C3120.0°120.0°
H4C1C4H4C2H4C3120.0°120.0°
H3C1C3H3C2H3C3120.0°119.9°

225946

PDB entries from 2024-10-09

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