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TTG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C25C31sing1.53Å1.55Å
C25C21sing1.53Å1.57Å
C25H251sing1.09Å1.12Å
C25H252sing1.09Å1.11Å
C31H311sing1.09Å1.11Å
C31H312sing1.09Å1.12Å
C31H313sing1.09Å1.12Å
C21O24sing1.43Å1.43Å
C21C16sing1.51Å1.59Å
C21C20sing1.51Å1.61Å
O24H241sing0.97Å0.95Å
C16C15doub1.36Å1.39ÅAromatic
C16C17sing1.40Å1.39ÅAromatic
C20O23doub1.21Å1.26Å
C20O22sing1.34Å1.25Å
C15C14sing1.41Å1.58ÅAromatic
C15C19sing1.51Å1.52Å
C17C13doub1.38Å1.36ÅAromatic
C17H171sing1.08Å1.10Å
O22H22Osing0.97Å0.95Å
C14O18doub1.22Å1.24Å
C14N12sing1.35Å1.35ÅAromatic
C19O19sing1.43Å1.42Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.11Å
C13N12sing1.37Å1.45ÅAromatic
C13C9sing1.48Å1.50ÅAromatic
N12C11sing1.47Å1.48Å
C9C8doub1.40Å1.42ÅAromatic
C9N10sing1.32Å1.45ÅAromatic
C11C8sing1.51Å1.52Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C8C7sing1.36Å1.40ÅAromatic
N10C5doub1.33Å1.32ÅAromatic
C7C6doub1.41Å1.41ÅAromatic
C7H71sing1.08Å1.10Å
C5C6sing1.42Å1.45ÅAromatic
C5C4sing1.41Å1.39ÅAromatic
C6C1sing1.40Å1.42ÅAromatic
C4C3doub1.36Å1.38ÅAromatic
C4H41sing1.08Å1.10Å
C1C2doub1.37Å1.41ÅAromatic
C1C27sing1.51Å1.56Å
C3C2sing1.40Å1.38ÅAromatic
C3H31sing1.08Å1.10Å
C2O26sing1.36Å1.38Å
C27N28sing1.47Å1.51Å
C27H271sing1.09Å1.12Å
C27H272sing1.09Å1.12Å
N28C29sing1.47Å1.50Å
N28C30sing1.47Å1.50Å
C29H291sing1.09Å1.12Å
C29H292sing1.09Å1.12Å
C29H293sing1.09Å1.11Å
C30H301sing1.09Å1.12Å
C30H302sing1.09Å1.12Å
C30H303sing1.09Å1.11Å
O26H261sing0.97Å0.95Å
O19H19Osing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C31C25C21120.2°109.5°
C31C25H251108.3°109.4°
C31C25H252108.4°109.5°
C25C31H311108.4°109.5°
C25C31H312120.2°109.4°
C25C31H313108.3°109.4°
C21C25H251108.4°109.5°
C21C25H252108.3°109.5°
C25C21O24106.3°109.5°
C25C21C16109.9°109.5°
C25C21C20109.6°109.5°
H251C25H252101.6°109.4°
H311C31H312108.3°109.5°
H311C31H313101.6°109.5°
H312C31H313108.4°109.4°
O24C21C16108.9°109.5°
O24C21C20102.7°109.4°
C21O24H241106.4°106.8°
C16C21C20118.5°109.5°
C21C16C15124.7°120.3°
C21C16C17118.9°120.3°
C21C20O23121.0°120.0°
C21C20O22120.4°120.0°
C15C16C17116.4°119.4°
C16C15C14121.5°119.6°
C16C15C19123.9°120.2°
C16C17C13125.3°120.0°
C16C17H171118.5°120.0°
O23C20O22118.6°120.0°
C20O22H22O120.4°120.1°
C14C15C19114.7°120.2°
C15C14O18122.8°119.8°
C15C14N12114.7°120.4°
C15C19O19113.3°109.5°
C15C19H191110.8°109.6°
C15C19H192110.8°109.5°
C13C17H171116.2°120.0°
C17C13N12118.8°120.0°
C17C13C9136.2°130.3°
O18C14N12122.5°119.8°
C14N12C13122.5°120.6°
C14N12C11124.3°130.7°
O19C19H191110.8°109.4°
O19C19H192110.8°109.4°
C19O19H19O113.3°106.8°
H191C19H19299.5°109.4°
N12C13C9104.9°109.8°
C13N12C11113.3°108.7°
C13C9C8108.9°108.2°
C13C9N10130.0°131.0°
N12C11C8102.0°106.5°
N12C11H111115.1°110.1°
N12C11H112115.1°110.1°
C8C9N10120.7°120.8°
C9C8C11110.9°106.8°
C9C8C7119.6°120.5°
C9N10C5118.2°121.4°
C8C11H111115.1°110.0°
C8C11H112115.1°110.1°
C11C8C7129.4°132.8°
H111C11H11295.4°110.0°
C8C7C6119.8°118.2°
C8C7H71119.9°120.9°
N10C5C6123.3°120.1°
N10C5C4117.7°120.9°
C6C7H71120.3°120.9°
C7C6C5118.5°119.1°
C7C6C1122.3°121.3°
C6C5C4118.8°119.1°
C5C6C1119.2°119.7°
C5C4C3120.7°119.9°
C5C4H41119.9°120.0°
C6C1C2118.9°119.7°
C6C1C27125.7°120.2°
C3C4H41119.3°120.1°
C4C3C2121.2°121.0°
C4C3H31119.5°119.5°
C2C1C27115.5°120.1°
C1C2C3120.9°120.8°
C1C2O26121.6°119.7°
C1C27N28115.5°109.5°
C1C27H271110.0°109.5°
C1C27H272110.0°109.4°
C2C3H31119.3°119.5°
C3C2O26117.5°119.6°
C2O26H261121.6°106.8°
N28C27H271110.0°109.5°
N28C27H272110.0°109.5°
C27N28C29113.2°106.7°
C27N28C30113.6°106.7°
H271C27H272100.2°109.5°
C29N28C30112.6°106.7°
N28C29H291110.8°109.5°
N28C29H292113.2°109.4°
N28C29H293110.8°109.4°
N28C30H301110.7°109.5°
N28C30H302113.6°109.5°
N28C30H303110.7°109.5°
H291C29H292110.8°109.5°
H291C29H29399.5°109.5°
H292C29H293110.8°109.5°
H301C30H302110.7°109.4°
H301C30H30399.6°109.5°
H302C30H303110.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C31C25C21H251125.3°120.0°
C31C25C21H252125.3°120.1°
C31C25H251H252114.0°120.0°
C25C31H311H312132.0°120.0°
C25C31H311H313114.0°120.0°
C25C31H312H313125.3°119.9°
C31C25C21O2456.0°60.0°
C31C25C21C1661.7°180.0°
C31C25C21C20166.4°60.0°
C21C25H251H252114.0°120.0°
C21C25C31H31154.7°180.0°
C21C25C31H312180.0°59.9°
C21C25C31H31354.7°60.0°
C25C21O24C16118.4°120.0°
C25C21O24C20115.1°120.0°
C25C21C16C20127.0°120.1°
C25C21O24H241180.0°66.2°
C25C21C16C1591.3°156.4°
C25C21C16C1787.0°23.3°
C25C21C20O23150.4°121.8°
C25C21C20O2230.1°58.2°
H251C25C31H31170.5°60.0°
H251C25C31H31254.7°60.1°
H251C25C31H313NaN°180.0°
H251C25C21O24178.7°180.0°
H251C25C21C1663.5°60.0°
H251C25C21C2068.4°60.0°
H252C25C31H311180.0°59.9°
H252C25C31H31254.7°180.0°
H252C25C31H31370.5°60.1°
H252C25C21O2469.3°60.1°
H252C25C21C16173.0°60.0°
H252C25C21C2041.1°180.0°
H311C31H312H313109.5°120.0°
O24C21C16C20116.8°119.9°
O24C21C16C15152.5°83.6°
O24C21C16C1729.2°96.7°
O24C21C20O2337.6°1.8°
O24C21C20O22142.9°178.2°
C16C21O24H24161.5°53.9°
C21C16C15C17178.3°179.7°
C16C21C20O2382.4°118.2°
C16C21C20O2297.1°61.8°
C21C16C15C14171.9°179.9°
C21C16C15C197.8°0.0°
C21C16C17C13173.7°179.7°
C21C16C17H1716.4°0.0°
C20C21O24H24164.9°173.8°
C20C21C16C1535.7°36.3°
C20C21C16C17146.0°143.4°
C21C20O23O22179.5°180.0°
C21C20O22H22O180.0°180.0°
C16C15C14C19179.7°179.9°
C15C16C17C137.9°0.6°
C15C16C17H171172.0°179.7°
C16C15C14O18176.4°180.0°
C16C15C14N124.8°0.1°
C16C15C19O19113.6°49.7°
C16C15C19H191121.1°70.4°
C16C15C19H19211.7°169.6°
C17C16C15C149.8°0.2°
C17C16C15C19170.5°179.7°
C16C17C13H171180.0°179.8°
C16C17C13N120.7°0.6°
C16C17C13C9175.8°179.8°
O23C20O22H22O0.5°0.0°
C15C14O18N12178.7°180.0°
C14C15C19O1966.1°130.4°
C14C15C19H19159.2°109.6°
C14C15C19H192168.7°10.4°
C15C14N12C132.8°0.0°
C15C14N12C11176.0°179.9°
C19C15C14O183.3°0.1°
C19C15C14N12175.5°180.0°
C15C19O19H191125.3°120.1°
C15C19O19H192125.3°120.0°
C15C19H191H192116.7°120.1°
C15C19O19H19O180.0°179.0°
C17C13N12C145.0°0.3°
C17C13N12C9177.5°179.7°
C17C13N12C11174.0°179.7°
C17C13C9C8173.5°179.7°
C17C13C9N101.0°0.3°
H171C17C13N12179.3°179.7°
H171C17C13C94.2°0.0°
O18C14N12C13176.0°180.0°
O18C14N12C115.1°0.0°
C14N12C13C11179.0°180.0°
C14N12C13C9177.5°180.0°
C14N12C11C8178.8°180.0°
C14N12C11H11153.5°60.8°
C14N12C11H11255.9°60.7°
O19C19H191H192116.6°119.9°
H191C19O19H19O54.7°60.9°
H192C19O19H19O54.7°59.0°
N12C13C9C83.3°0.0°
N12C13C9N10175.8°180.0°
C13N12C11C82.3°0.0°
C13N12C11H111127.5°119.2°
C13N12C11H112123.0°119.3°
C9C13N12C113.5°0.0°
C13C9C8N10173.3°180.0°
C13C9C8C112.1°0.1°
C13C9C8C7173.5°180.0°
C13C9N10C5171.8°179.9°
N12C11C8C90.0°0.0°
N12C11C8H111125.2°119.2°
N12C11C8H112125.3°119.3°
N12C11H111H112120.9°121.5°
N12C11C8C7175.0°180.0°
C9C8C11C7175.0°180.0°
C9C8C11H111125.3°119.3°
C9C8C11H112125.2°119.3°
C8C9N10C50.1°0.0°
C9C8C7C60.6°0.0°
C9C8C7H71179.4°180.0°
N10C9C8C11175.4°180.0°
N10C9C8C70.2°0.0°
C9N10C5C60.3°0.1°
C9N10C5C4175.5°180.0°
C8C11H111H112121.0°121.5°
C11C8C7C6174.1°180.0°
C11C8C7H716.0°0.0°
H111C11C8C759.7°60.7°
H112C11C8C749.8°60.7°
C8C7C6H71180.0°180.0°
C8C7C6C50.8°0.0°
C8C7C6C1175.6°180.0°
N10C5C6C70.7°0.0°
N10C5C6C4175.2°180.0°
N10C5C6C1175.8°179.9°
N10C5C4C3171.0°180.0°
N10C5C4H419.0°0.0°
C7C6C5C1176.5°180.0°
C7C6C5C4175.9°180.0°
C7C6C1C2172.5°180.0°
C7C6C1C277.7°0.0°
H71C7C6C5179.1°180.0°
H71C7C6C14.5°0.0°
C6C5C4C34.4°0.0°
C6C5C4H41175.6°180.0°
C5C6C1C23.9°0.0°
C5C6C1C27175.9°180.0°
C4C5C6C10.6°0.0°
C5C4C3H41180.0°180.0°
C5C4C3C26.2°0.1°
C5C4C3H31173.8°180.0°
C6C1C2C27179.8°180.0°
C6C1C2C32.3°0.0°
C6C1C2O26175.8°180.0°
C6C1C27N28103.1°90.0°
C6C1C27H271131.6°150.0°
C6C1C27H27222.1°30.0°
C4C3C2C12.7°0.0°
C4C3C2H31180.0°180.0°
C4C3C2O26179.1°180.0°
H41C4C3C2173.8°179.9°
H41C4C3H316.1°0.1°
C1C2C3O26178.2°180.0°
C1C2C3H31177.3°180.0°
C2C1C27N2877.1°90.0°
C2C1C27H27148.2°30.0°
C2C1C27H272157.7°150.0°
C1C2O26H261180.0°90.0°
C27C1C2C3177.5°180.0°
C27C1C2O264.3°0.0°
C1C27N28H271125.3°120.0°
C1C27N28H272125.3°119.9°
C1C27H271H272115.8°120.0°
C1C27N28C2976.6°180.0°
C1C27N28C30153.4°66.2°
C3C2O26H2611.8°90.0°
H31C3C2O260.9°0.0°
N28C27H271H272115.8°120.0°
C27N28C29C30130.5°113.8°
C27N28C29H29154.7°180.0°
C27N28C29H292180.0°59.9°
C27N28C29H29354.7°60.0°
C27N28C30H30154.7°180.0°
C27N28C30H302180.0°60.1°
C27N28C30H30354.8°60.0°
H271C27N28C29158.1°60.0°
H271C27N28C3028.1°173.8°
H272C27N28C2948.6°60.0°
H272C27N28C3081.4°53.8°
N28C29H291H292126.6°120.0°
N28C29H291H293116.7°120.0°
N28C29H292H293125.3°119.9°
C29N28C30H301174.9°66.2°
C29N28C30H30249.7°53.8°
C29N28C30H30375.6°173.8°
C30N28C29H29175.8°66.2°
C30N28C29H29249.5°173.8°
C30N28C29H293174.8°53.8°
N28C30H301H302126.9°120.0°
N28C30H301H303116.6°120.0°
N28C30H302H303125.3°120.0°
H291C29H292H293109.5°120.0°
H301C30H302H303109.5°120.0°

224931

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