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TTC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C25C31sing1.53Å1.55Å
C25C21sing1.53Å1.56Å
C25H251sing1.09Å1.12Å
C25H252sing1.09Å1.11Å
C31H311sing1.09Å1.11Å
C31H312sing1.09Å1.12Å
C31H313sing1.09Å1.12Å
C21O24sing1.43Å1.32Å
C21C16sing1.51Å1.52Å
C21C20sing1.51Å1.57Å
O24H241sing0.97Å0.95Å
C16C15doub1.36Å1.43ÅAromatic
C16C17sing1.40Å1.39ÅAromatic
C20O23doub1.21Å1.32Å
C20O22sing1.35Å1.38Å
C15C14sing1.41Å1.40ÅAromatic
C15C19sing1.51Å1.53Å
C17C13doub1.38Å1.41ÅAromatic
C17H171sing1.08Å1.10Å
O22C19sing1.45Å1.46Å
C14O18doub1.22Å1.32Å
C14N12sing1.35Å1.37ÅAromatic
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.11Å
C13N12sing1.37Å1.31ÅAromatic
C13C9sing1.48Å1.40ÅAromatic
N12C11sing1.47Å1.48Å
C9C8doub1.40Å1.47ÅAromatic
C9N10sing1.32Å1.34ÅAromatic
C11C8sing1.51Å1.52Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C8C7sing1.36Å1.33ÅAromatic
N10C5doub1.33Å1.40ÅAromatic
C7C6doub1.41Å1.44ÅAromatic
C7H71sing1.08Å1.10Å
C5C6sing1.42Å1.43ÅAromatic
C5C4sing1.41Å1.36ÅAromatic
C6C1sing1.40Å1.41ÅAromatic
C4C3doub1.36Å1.41ÅAromatic
C4H41sing1.08Å1.10Å
C1C2doub1.37Å1.40ÅAromatic
C1C27sing1.51Å1.53Å
C3C2sing1.40Å1.40ÅAromatic
C3H31sing1.08Å1.10Å
C2O26sing1.36Å1.37Å
C27N28sing1.47Å1.49Å
C27H271sing1.09Å1.12Å
C27H272sing1.09Å1.11Å
N28C29sing1.47Å1.46Å
N28C30sing1.47Å1.47Å
C29H291sing1.09Å1.12Å
C29H292sing1.09Å1.12Å
C29H293sing1.09Å1.11Å
C30H301sing1.09Å1.11Å
C30H302sing1.09Å1.12Å
C30H303sing1.09Å1.12Å
O26H261sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C31C25C21115.5°109.5°
C31C25H251110.1°109.5°
C31C25H252110.0°109.5°
C25C31H311110.0°109.5°
C25C31H312115.5°109.5°
C25C31H313110.1°109.5°
C21C25H251110.0°109.4°
C21C25H252110.1°109.5°
C25C21O24108.8°109.4°
C25C21C16108.9°109.5°
C25C21C20111.5°109.5°
H251C25H252100.2°109.5°
H311C31H312110.0°109.4°
H311C31H313100.2°109.4°
H312C31H313110.0°109.5°
O24C21C16112.1°109.5°
O24C21C20107.8°109.6°
C21O24H241108.8°106.8°
C16C21C20107.8°109.4°
C21C16C15120.9°122.2°
C21C16C17127.3°118.4°
C21C20O23122.9°121.8°
C21C20O22119.5°116.4°
C15C16C17111.8°119.4°
C16C15C14123.8°119.1°
C16C15C19116.8°122.7°
C16C17C13123.6°120.3°
C16C17H171117.8°119.9°
O23C20O22117.6°121.8°
C20O22C19120.7°116.9°
C14C15C19119.4°118.2°
C15C14O18121.9°119.5°
C15C14N12119.5°120.9°
C15C19O22111.6°110.3°
C15C19H191111.4°109.3°
C15C19H192111.4°109.4°
C13C17H171118.7°119.8°
C17C13N12122.1°119.8°
C17C13C9128.0°130.4°
O22C19H191111.4°109.3°
O22C19H192111.4°109.4°
O18C14N12118.5°119.6°
C14N12C13119.1°120.5°
C14N12C11126.8°130.8°
H191C19H19298.9°109.1°
N12C13C9109.8°109.8°
C13N12C11114.0°108.7°
C13C9C8108.6°108.2°
C13C9N10124.7°131.0°
N12C11C8101.3°106.4°
N12C11H111115.3°110.1°
N12C11H112115.3°110.1°
C8C9N10126.7°120.8°
C9C8C11106.2°106.8°
C9C8C7117.8°120.5°
C9N10C5113.9°121.5°
C8C11H111115.4°110.1°
C8C11H112115.4°110.0°
C11C8C7135.9°132.7°
H111C11H11295.1°110.0°
C8C7C6119.3°118.1°
C8C7H71116.7°120.9°
N10C5C6123.0°120.1°
N10C5C4114.4°120.8°
C6C7H71124.0°120.9°
C7C6C5119.3°119.0°
C7C6C1122.4°121.2°
C6C5C4122.6°119.1°
C5C6C1118.3°119.8°
C5C4C3118.8°119.8°
C5C4H41119.0°120.1°
C6C1C2119.1°119.5°
C6C1C27124.7°120.3°
C3C4H41122.2°120.1°
C4C3C2120.0°121.0°
C4C3H31120.1°119.5°
C2C1C27116.2°120.2°
C1C2C3121.2°120.8°
C1C2O26122.4°119.6°
C1C27N28113.9°109.5°
C1C27H271110.6°109.5°
C1C27H272110.6°109.4°
C2C3H31120.0°119.5°
C3C2O26116.3°119.6°
C2O26H261122.4°106.8°
N28C27H271110.6°109.5°
N28C27H272110.6°109.5°
C27N28C29112.7°106.7°
C27N28C30112.5°106.7°
H271C27H27299.7°109.5°
C29N28C30109.3°106.7°
N28C29H291111.0°109.5°
N28C29H292112.7°109.5°
N28C29H293111.0°109.5°
N28C30H301111.1°109.5°
N28C30H302112.5°109.5°
N28C30H303111.1°109.4°
H291C29H292111.0°109.5°
H291C29H29399.3°109.5°
H292C29H293111.0°109.4°
H301C30H302111.1°109.5°
H301C30H30399.2°109.4°
H302C30H303111.1°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C31C25C21H251125.3°120.0°
C31C25C21H252125.2°120.0°
C31C25H251H252115.8°120.0°
C25C31H311H312128.3°120.0°
C25C31H311H313115.9°120.0°
C25C31H312H313125.3°120.1°
C31C25C21O2447.7°60.0°
C31C25C21C1674.7°180.0°
C31C25C21C20166.5°60.1°
C21C25H251H252115.9°120.0°
C21C25C31H31154.8°180.0°
C21C25C31H312180.0°60.0°
C21C25C31H31354.7°60.1°
C25C21O24C16120.5°120.0°
C25C21O24C20121.0°120.0°
C25C21C16C20121.1°120.0°
C25C21O24H241180.0°60.1°
C25C21C16C1586.2°107.8°
C25C21C16C1794.5°71.9°
C25C21C20O2396.8°100.0°
C25C21C20O2283.4°80.1°
H251C25C31H31170.5°60.0°
H251C25C31H31254.7°60.0°
H251C25C31H313NaN°180.0°
H251C25C21O24173.0°180.0°
H251C25C21C1650.6°60.0°
H251C25C21C2068.2°59.9°
H252C25C31H311180.0°60.0°
H252C25C31H31254.7°180.0°
H252C25C31H31370.5°59.9°
H252C25C21O2477.5°60.0°
H252C25C21C16160.1°60.0°
H252C25C21C2041.2°180.0°
H311C31H312H313109.5°119.9°
O24C21C16C20118.5°120.1°
O24C21C16C15153.3°132.2°
O24C21C16C1726.0°48.0°
O24C21C20O2322.5°20.0°
O24C21C20O22157.3°159.9°
C16C21O24H24159.5°179.9°
C21C16C15C17179.4°179.7°
C16C21C20O23143.7°140.0°
C16C21C20O2236.1°39.9°
C21C16C15C14179.5°178.9°
C21C16C15C190.4°1.2°
C21C16C17C13179.1°179.2°
C21C16C17H1710.9°0.8°
C20C21O24H24159.0°60.0°
C20C21C16C1534.9°12.2°
C20C21C16C17144.4°168.1°
C21C20O23O22179.8°179.9°
C21C20O22C190.2°58.3°
C16C15C14C19179.9°179.9°
C15C16C17C130.2°0.5°
C15C16C17H171179.8°179.4°
C16C15C19O2237.7°13.9°
C16C15C14O18180.0°179.2°
C16C15C14N120.5°0.7°
C16C15C19H191163.0°106.3°
C16C15C19H19287.5°134.3°
C17C16C15C140.1°0.9°
C17C16C15C19179.8°179.0°
C16C17C13H171180.0°179.9°
C16C17C13N120.2°0.0°
C16C17C13C9178.8°179.9°
O23C20O22C19179.5°121.6°
C20O22C19C1537.6°42.2°
C20O22C19H191162.9°78.0°
C20O22C19H19287.7°162.6°
C14C15C19O22142.2°166.2°
C15C14O18N12179.5°179.9°
C14C15C19H19116.9°73.6°
C14C15C19H19292.6°45.8°
C15C14N12C130.5°0.2°
C15C14N12C11179.3°179.7°
C15C19O22H191125.3°120.2°
C15C19O22H192125.3°120.4°
C19C15C14O180.1°0.9°
C19C15C14N12179.4°179.2°
C15C19H191H192117.3°119.6°
C17C13N12C140.2°0.2°
C17C13N12C9179.2°179.9°
C17C13N12C11179.7°179.9°
C17C13C9C8179.3°179.8°
C17C13C9N100.3°0.1°
H171C17C13N12179.8°179.9°
H171C17C13C91.2°0.1°
O22C19H191H192117.3°119.6°
O18C14N12C13180.0°179.7°
O18C14N12C110.2°0.4°
C14N12C13C11179.8°179.9°
C14N12C13C9179.3°179.9°
C14N12C11C8179.2°180.0°
C14N12C11H11155.5°60.7°
C14N12C11H11253.9°60.8°
N12C13C9C80.1°0.1°
N12C13C9N10179.5°180.0°
C13N12C11C80.6°0.0°
C13N12C11H111124.7°119.3°
C13N12C11H112125.9°119.3°
C9C13N12C110.5°0.0°
C13C9C8N10179.6°180.0°
C13C9C8C110.2°0.1°
C13C9C8C7179.4°179.9°
C13C9N10C5179.1°179.8°
N12C11C8C90.5°0.1°
N12C11C8H111125.3°119.3°
N12C11C8H112125.2°119.3°
N12C11H111H112121.1°121.5°
N12C11C8C7179.0°179.9°
C9C8C11C7179.5°180.0°
C9C8C11H111124.8°119.2°
C9C8C11H112125.7°119.3°
C8C9N10C50.4°0.1°
C9C8C7C60.6°0.1°
C9C8C7H71179.4°179.9°
N10C9C8C11179.8°179.9°
N10C9C8C70.2°0.0°
C9N10C5C60.1°0.1°
C9N10C5C4179.2°179.8°
C8C11H111H112121.2°121.5°
C11C8C7C6178.9°180.0°
C11C8C7H711.1°0.1°
H111C11C8C755.7°60.8°
H112C11C8C753.8°60.7°
C8C7C6H71180.0°179.9°
C8C7C6C51.1°0.1°
C8C7C6C1179.0°179.9°
N10C5C6C70.9°0.0°
N10C5C6C4179.0°179.9°
N10C5C6C1179.2°180.0°
N10C5C4C3179.1°180.0°
N10C5C4H410.9°0.1°
C7C6C5C1179.9°180.0°
C7C6C5C4179.8°180.0°
C7C6C1C2179.7°180.0°
C7C6C1C270.5°0.0°
H71C7C6C5178.9°179.8°
H71C7C6C11.0°0.2°
C6C5C4C30.1°0.1°
C6C5C4H41180.0°180.0°
C5C6C1C20.4°0.0°
C5C6C1C27179.5°180.0°
C4C5C6C10.2°0.0°
C5C4C3H41180.0°180.0°
C5C4C3C20.1°0.0°
C5C4C3H31179.9°180.0°
C6C1C2C27179.2°180.0°
C6C1C2C30.4°0.0°
C6C1C2O26179.7°179.9°
C6C1C27N2889.6°90.0°
C6C1C27H271145.2°150.0°
C6C1C27H27235.7°30.0°
C4C3C2C10.3°0.0°
C4C3C2H31180.0°180.0°
C4C3C2O26179.8°179.9°
H41C4C3C2179.9°180.0°
H41C4C3H310.1°0.0°
C1C2C3O26179.9°179.9°
C1C2C3H31179.7°180.0°
C2C1C27N2889.6°90.0°
C2C1C27H27135.7°30.0°
C2C1C27H272145.2°150.0°
C1C2O26H261180.0°89.9°
C27C1C2C3179.6°180.0°
C27C1C2O260.5°0.1°
C1C27N28H271125.3°120.1°
C1C27N28H272125.3°119.9°
C1C27H271H272116.4°120.0°
C1C27N28C2994.5°180.0°
C1C27N28C30141.4°66.2°
C3C2O26H2610.1°90.0°
H31C3C2O260.2°0.1°
N28C27H271H272116.5°120.0°
C27N28C29C30125.9°113.8°
C27N28C29H29154.7°180.0°
C27N28C29H292180.0°59.9°
C27N28C29H29354.7°60.0°
C27N28C30H30154.7°180.0°
C27N28C30H302180.0°60.0°
C27N28C30H30354.8°60.0°
H271C27N28C29140.3°60.0°
H271C27N28C3016.2°173.7°
H272C27N28C2930.8°60.0°
H272C27N28C3093.3°53.7°
N28C29H291H292126.2°120.0°
N28C29H291H293116.9°120.0°
N28C29H292H293125.3°119.9°
C29N28C30H301179.3°66.2°
C29N28C30H30254.0°53.8°
C29N28C30H30371.2°173.8°
C30N28C29H29171.1°66.2°
C30N28C29H29254.1°173.7°
C30N28C29H293179.4°53.8°
N28C30H301H302126.1°120.0°
N28C30H301H303117.0°119.9°
N28C30H302H303125.3°120.0°
H291C29H292H293109.5°120.0°
H301C30H302H303109.5°120.0°

225158

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