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TC4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.52Å1.52Å
C1P1sing1.81Å1.65Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.12Å
C2C3sing1.53Å1.51Å
C2H21sing1.10Å1.12Å
C2H22sing1.10Å1.11Å
C3C4sing1.52Å1.52Å
C3H31sing1.10Å1.12Å
C3H32sing1.10Å1.12Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.12Å
C4H43sing1.09Å1.11Å
C5C6sing1.52Å1.53Å
C5O2sing1.42Å1.43Å
C5H51sing1.09Å1.11Å
C5H52sing1.09Å1.11Å
C6C12sing1.52Å1.53Å
C6O3sing1.43Å1.44Å
C6H6sing1.10Å1.12Å
C7N1sing1.38Å1.33Å
C7O3sing1.37Å1.47Å
C7O4doub1.23Å1.24Å
C8C9sing1.53Å1.52Å
C8N1sing1.44Å1.46Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.11Å
C9C10sing1.53Å1.52Å
C9H91sing1.10Å1.12Å
C9H92sing1.10Å1.12Å
C10C11sing1.52Å1.51Å
C10H101sing1.10Å1.11Å
C10H102sing1.10Å1.11Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
C11H113sing1.10Å1.12Å
C12O5sing1.42Å1.42Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.11Å
C13N2sing1.38Å1.33Å
C13O5sing1.37Å1.46Å
C13O6doub1.23Å1.24Å
C14C15sing1.52Å1.53Å
C14N2sing1.44Å1.46Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C15C16sing1.53Å1.52Å
C15H151sing1.10Å1.12Å
C15H152sing1.10Å1.12Å
C16C17sing1.52Å1.51Å
C16H161sing1.10Å1.12Å
C16H162sing1.10Å1.11Å
C17H171sing1.09Å1.12Å
C17H172sing1.10Å1.11Å
C17H173sing1.09Å1.12Å
N1H1sing1.02Å0.98Å
N2H2sing1.01Å0.98Å
O1P1doub1.51Å1.59Å
O2P1sing1.63Å1.60Å
HP1P1sing1.41Å1.42Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1P1119.5°113.6°
C2C1H11108.6°110.6°
C2C1H12108.6°109.2°
C1C2C3111.1°112.2°
C1C2H21111.6°108.9°
C1C2H22111.6°109.3°
P1C1H11108.6°108.6°
P1C1H12108.6°107.2°
C1P1O1112.7°108.9°
C1P1O2106.4°101.2°
C1P1HP1109.0°112.3°
H11C1H12101.3°107.4°
C3C2H21111.6°109.4°
C3C2H22111.6°109.5°
C2C3C4107.7°111.4°
C2C3H31112.9°110.2°
C2C3H32112.9°109.9°
H21C2H2298.8°107.4°
C4C3H31112.9°108.9°
C4C3H32112.9°109.1°
C3C4H41107.7°110.3°
C3C4H42112.9°111.0°
C3C4H43112.9°111.0°
H31C3H3297.5°107.3°
H41C4H42112.9°108.1°
H41C4H43112.9°108.1°
H42C4H4397.6°108.3°
C6C5O2105.4°109.9°
C6C5H51113.7°111.6°
C6C5H52113.7°111.2°
C5C6C12111.1°111.4°
C5C6O3106.3°108.7°
C5C6H6109.5°111.2°
O2C5H51113.7°108.0°
O2C5H52113.7°107.3°
C5O2P1131.6°118.9°
H51C5H5296.8°108.7°
C12C6O3106.5°108.0°
C12C6H6109.3°110.6°
C6C12O5104.7°108.9°
C6C12H121114.0°111.2°
C6C12H122114.0°111.1°
O3C6H6113.9°106.8°
C6O3C7120.7°115.9°
N1C7O3112.2°109.8°
N1C7O4123.1°125.8°
C7N1C8124.6°123.7°
C7N1H1118.6°118.2°
O3C7O4124.7°124.5°
C9C8N1112.5°112.4°
C9C8H81111.1°111.3°
C9C8H82111.1°109.9°
C8C9C10111.8°112.6°
C8C9H91111.3°109.8°
C8C9H92111.3°108.5°
N1C8H81111.1°107.9°
N1C8H82111.1°107.0°
C8N1H1116.8°118.1°
H81C8H8299.3°108.1°
C10C9H91111.4°109.6°
C10C9H92111.4°109.1°
C9C10C1196.5°111.5°
C9C10H101117.2°109.9°
C9C10H102117.2°110.3°
H91C9H9299.0°107.1°
C11C10H101117.3°109.1°
C11C10H102117.3°108.8°
C10C11H11196.5°111.0°
C10C11H112117.2°110.3°
C10C11H113117.3°111.0°
H101C10H10293.1°107.3°
H111C11H112117.3°108.1°
H111C11H113117.2°108.3°
H112C11H11393.1°108.1°
O5C12H121114.0°107.9°
O5C12H122114.0°108.1°
C12O5C13110.4°116.1°
H121C12H12296.5°109.6°
N2C13O5116.8°110.0°
N2C13O6123.5°125.8°
C13N2C14124.8°123.7°
C13N2H2117.6°118.1°
O5C13O6119.7°124.3°
C15C14N2112.2°112.4°
C15C14H141111.2°111.2°
C15C14H142111.1°110.0°
C14C15C16112.1°112.6°
C14C15H151111.3°109.8°
C14C15H152111.3°108.5°
N2C14H141111.2°107.9°
N2C14H142111.2°107.0°
C14N2H2117.6°118.2°
H141C14H14299.2°108.1°
C16C15H151111.2°109.5°
C16C15H152111.2°109.1°
C15C16C17110.1°111.4°
C15C16H161112.0°109.8°
C15C16H162112.0°110.3°
H151C15H15299.0°107.1°
C17C16H161111.9°109.1°
C17C16H162111.9°108.9°
C16C17H171110.1°111.0°
C16C17H172112.0°110.2°
C16C17H173112.0°111.1°
H161C16H16298.5°107.3°
H171C17H172112.0°108.1°
H171C17H173111.9°108.3°
H172C17H17398.4°108.1°
O1P1O2108.1°110.4°
O1P1HP1107.3°119.7°
O2P1HP1113.4°102.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1P1H11125.3°123.5°
C2C1P1H12125.3°120.7°
C2C1H11H12114.3°119.1°
C1C2C3H21125.2°120.9°
C1C2C3H22125.2°121.6°
C1C2H21H22117.5°118.2°
C1C2C3C4167.6°179.1°
C1C2C3H3142.3°58.1°
C1C2C3H3267.1°59.9°
C2C1P1O181.3°74.9°
C2C1P1O237.0°168.8°
C2C1P1HP1159.7°60.0°
P1C1H11H12114.3°115.6°
P1C1C2C3175.9°62.5°
P1C1C2H2158.8°176.3°
P1C1C2H2250.7°59.2°
C1P1O2C5179.8°56.2°
C1P1O1O2117.3°110.2°
C1P1O1HP1120.0°131.1°
C1P1O2HP1119.8°116.2°
H11C1C2C358.8°60.0°
H11C1C2H2166.5°61.3°
H11C1C2H22176.0°178.3°
H11C1P1O1153.4°161.6°
H11C1P1O288.3°45.3°
H11C1P1HP134.4°63.5°
H12C1C2C350.7°178.0°
H12C1C2H21175.9°56.7°
H12C1C2H2274.6°60.3°
H12C1P1O144.0°45.8°
H12C1P1O2162.3°70.5°
H12C1P1HP175.0°179.3°
C3C2H21H22117.5°118.8°
C2C3C4H31125.3°121.8°
C2C3C4H32125.3°121.5°
C2C3H31H32118.8°119.6°
C2C3C4H41180.0°180.0°
C2C3C4H4254.8°60.2°
C2C3C4H4354.8°60.3°
H21C2C3C467.1°60.0°
H21C2C3H31167.6°179.0°
H21C2C3H3258.1°61.0°
H22C2C3C442.4°57.5°
H22C2C3H3182.9°63.5°
H22C2C3H32167.6°178.5°
C4C3H31H32118.8°117.9°
C3C4H41H42125.2°121.5°
C3C4H41H43125.3°121.5°
C3C4H42H43118.8°122.1°
H31C3C4H4154.7°58.3°
H31C3C4H42179.9°178.0°
H31C3C4H4370.6°61.4°
H32C3C4H4154.7°58.5°
H32C3C4H4270.5°61.2°
H32C3C4H43180.0°178.2°
H41C4H42H43118.8°116.9°
C6C5O2H51125.3°121.9°
C6C5O2H52125.2°121.0°
C6C5H51H52119.7°123.0°
C5C6C12O3115.4°119.3°
C5C6C12H6121.0°124.2°
C5C6O3H6120.7°120.1°
C5C6O3C7149.8°60.1°
C5C6C12O5121.4°178.8°
C5C6C12H1213.8°60.0°
C5C6C12H122113.4°62.3°
C6C5O2P1166.9°150.0°
O2C5H51H52119.6°116.2°
O2C5C6C12177.5°60.3°
O2C5C6O362.0°58.6°
O2C5C6H661.6°175.9°
C5O2P1O158.9°171.4°
C5O2P1HP160.0°59.9°
H51C5C6C1252.2°180.0°
H51C5C6O363.3°61.2°
H51C5C6H6173.1°56.1°
H51C5O2P141.6°88.1°
H52C5C6C1257.3°58.4°
H52C5C6O3172.8°177.3°
H52C5C6H663.6°65.5°
H52C5O2P167.9°29.0°
C12C6O3H6120.6°118.9°
C12C6O3C791.6°178.9°
C6C12O5H121125.3°120.8°
C6C12O5H122125.2°120.8°
C6C12H121H122119.9°123.2°
C6C12O5C13108.4°180.0°
C6O3C7N1140.6°180.0°
C6O3C7O439.9°0.0°
O3C6C12O5123.2°59.5°
O3C6C12H121111.6°59.3°
O3C6C12H1222.1°178.4°
H6C6O3C729.1°60.0°
H6C6C12O50.4°57.0°
H6C6C12H121124.9°175.8°
H6C6C12H122125.6°61.9°
N1C7O3O4179.5°180.0°
C7N1C8C972.5°89.9°
C7N1C8H1179.7°179.9°
C7N1C8H8152.7°147.0°
C7N1C8H82162.2°30.8°
O3C7N1C8179.8°180.0°
O3C7N1H10.5°0.1°
O4C7N1C80.2°0.1°
O4C7N1H1179.9°180.0°
C9C8N1H81125.2°123.1°
C9C8N1H82125.3°120.8°
C9C8H81H82117.0°120.8°
C8C9C10H91125.3°122.5°
C8C9C10H92125.3°120.6°
C8C9H91H92117.2°117.7°
C8C9C10C11156.0°177.5°
C8C9C10H10178.7°56.5°
C8C9C10H10230.8°61.5°
C9C8N1H1107.2°90.0°
N1C8H81H82117.0°115.4°
N1C8C9C10111.4°61.2°
N1C8C9H91123.3°61.2°
N1C8C9H9213.9°178.0°
H81C8C9C10123.3°60.0°
H81C8C9H912.0°177.6°
H81C8C9H92111.4°60.9°
H81C8N1H1127.6°33.1°
H82C8C9C1013.9°179.8°
H82C8C9H91111.4°57.9°
H82C8C9H92139.2°58.9°
H82C8N1H118.1°149.2°
C10C9H91H92117.3°118.2°
C9C10C11H101125.2°121.5°
C9C10C11H102125.2°121.8°
C9C10H101H102122.9°119.9°
C9C10C11H111180.0°60.3°
C9C10C11H11254.7°180.0°
C9C10C11H11354.7°60.2°
H91C9C10C1130.7°60.0°
H91C9C10H101156.0°179.0°
H91C9C10H10294.5°61.0°
H92C9C10C1178.7°57.0°
H92C9C10H10146.6°64.0°
H92C9C10H102156.0°178.0°
C11C10H101H102123.0°117.7°
C10C11H111H112125.3°121.1°
C10C11H111H113125.3°122.0°
C10C11H112H113122.9°121.5°
H101C10C11H11154.8°178.3°
H101C10C11H112180.0°58.5°
H101C10C11H11370.5°61.3°
H102C10C11H11154.8°61.5°
H102C10C11H11270.5°58.2°
H102C10C11H113179.9°178.0°
H111C11H112H113122.9°117.0°
O5C12H121H122119.9°117.5°
C12O5C13N2133.1°180.0°
C12O5C13O646.6°0.1°
H121C12O5C13126.4°59.2°
H122C12O5C1316.9°59.2°
N2C13O5O6179.6°179.9°
C13N2C14C15169.0°90.1°
C13N2C14H2179.4°179.9°
C13N2C14H14165.8°146.9°
C13N2C14H14243.7°30.8°
O5C13N2C14178.9°180.0°
O5C13N2H20.5°0.1°
O6C13N2C140.7°0.1°
O6C13N2H2179.9°180.0°
C15C14N2H141125.2°123.0°
C15C14N2H142125.2°120.8°
C15C14H141H142117.1°120.9°
C14C15C16H151125.3°122.5°
C14C15C16H152125.3°120.6°
C14C15H151H152117.1°117.7°
C14C15C16C17108.7°177.5°
C14C15C16H161126.0°56.6°
C14C15C16H16216.5°61.5°
C15C14N2H211.6°90.0°
N2C14H141H142117.1°115.4°
N2C14C15C16118.1°61.1°
N2C14C15H1517.2°61.2°
N2C14C15H152116.6°178.0°
H141C14C15C167.2°60.1°
H141C14C15H151132.5°177.6°
H141C14C15H152118.1°60.8°
H141C14N2H2113.6°33.0°
H142C14C15C16116.7°179.8°
H142C14C15H151118.0°57.9°
H142C14C15H1528.6°58.9°
H142C14N2H2136.8°149.2°
C16C15H151H152117.1°118.2°
C15C16C17H161125.2°121.4°
C15C16C17H162125.3°121.8°
C15C16H161H162117.9°119.9°
C15C16C17H171180.0°60.4°
C15C16C17H17254.7°179.9°
C15C16C17H17354.7°60.2°
H151C15C16C1716.6°60.0°
H151C15C16H161108.7°179.0°
H151C15C16H162141.8°61.0°
H152C15C16C17125.9°57.0°
H152C15C16H1610.7°64.0°
H152C15C16H162108.8°178.0°
C17C16H161H162117.9°117.8°
C16C17H171H172125.3°121.0°
C16C17H171H173125.3°122.2°
C16C17H172H173117.9°121.5°
H161C16C17H17154.7°178.2°
H161C16C17H172180.0°58.5°
H161C16C17H17370.5°61.2°
H162C16C17H17154.8°61.5°
H162C16C17H17270.5°58.2°
H162C16C17H173180.0°178.0°
H171C17H172H173117.8°117.0°
O1P1O2HP1118.9°128.7°

222415

PDB entries from 2024-07-10

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