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B81

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C10sing1.53Å1.54Å
C1C2sing1.53Å1.57Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C2C3sing1.53Å1.56Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C3C4sing1.53Å1.55Å
C3O3sing1.43Å1.40Å
C3H3sing1.09Å1.10Å
O3HO3sing0.97Å0.95Å
C5C4sing1.52Å1.52Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C10C5sing1.50Å1.57Å
C5C6doub1.30Å1.39Å
C7C6sing1.50Å1.40Å
C6H6sing1.08Å1.08Å
C8C7sing1.53Å1.55Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C14C8sing1.52Å1.58Å
C9C8sing1.54Å1.59Å
C8H8sing1.09Å1.10Å
C11C9sing1.53Å1.55Å
C9C10sing1.52Å1.60Å
C9H9sing1.09Å1.10Å
C19C10sing1.53Å1.57Å
C12C11sing1.54Å1.56Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C12C13sing1.52Å1.56Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C17C13sing1.53Å1.57Å
C13C18sing1.53Å1.56Å
C13C14sing1.55Å1.55Å
C14C15sing1.53Å1.58Å
C14H14sing1.09Å1.10Å
C16C15sing1.55Å1.56Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C17C16sing1.55Å1.58Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
O17C17sing1.43Å1.42Å
C17H17sing1.09Å1.10Å
O17HO17sing0.97Å0.95Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C18H18Bsing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C19H19Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C10C1C2112.5°109.4°
C10C1H1108.5°109.5°
C10C1H1A108.5°109.5°
C1C10C5104.1°109.4°
C1C10C9110.6°110.0°
C1C10C19108.7°108.1°
C2C1H1108.5°109.4°
C2C1H1A108.5°109.5°
C1C2C3117.0°109.7°
C1C2H2107.1°109.4°
C1C2H2A107.0°109.4°
H1C1H1A110.5°109.5°
C3C2H2107.0°109.4°
C3C2H2A107.0°109.4°
C2C3C4116.1°109.5°
C2C3O3105.9°109.5°
C2C3H3106.8°109.5°
H2C2H2A111.8°109.4°
C4C3O3107.0°109.5°
C4C3H3105.6°109.4°
C3C4C5109.3°108.4°
C3C4H4109.5°109.7°
C3C4H4A109.5°109.7°
O3C3H3115.8°109.5°
C3O3HO3109.5°114.0°
C5C4H4109.5°109.6°
C5C4H4A109.5°109.7°
C4C5C10120.3°117.9°
C4C5C6118.2°118.3°
H4C4H4A109.5°109.7°
C10C5C6121.5°123.9°
C5C10C9111.6°113.2°
C5C10C19106.6°107.6°
C5C6C7127.4°123.1°
C5C6H6116.3°118.5°
C7C6H6116.3°118.4°
C6C7C8111.1°109.2°
C6C7H7109.0°109.6°
C6C7H7A108.9°109.6°
C8C7H7108.9°109.4°
C8C7H7A108.9°109.5°
C7C8C14112.7°109.7°
C7C8C9111.1°108.1°
C7C8H8107.3°110.2°
H7C7H7A110.0°109.5°
C14C8C9112.8°108.4°
C14C8H8105.4°110.2°
C8C14C13113.8°107.6°
C8C14C15121.8°117.6°
C8C14H1494.9°108.6°
C9C8H8107.2°110.2°
C8C9C11112.0°111.8°
C8C9C10113.9°110.5°
C8C9H9107.0°108.4°
C11C9C10115.9°109.8°
C11C9H9104.6°107.9°
C9C11C12112.2°111.8°
C9C11H11108.6°109.0°
C9C11H11A108.6°109.1°
C10C9H9102.1°108.3°
C9C10C19114.6°108.2°
C10C19H19109.5°109.4°
C10C19H19A109.4°109.5°
C10C19H19B109.4°109.4°
C12C11H11108.6°109.0°
C12C11H11A108.6°108.9°
C11C12C13115.4°107.1°
C11C12H12107.5°109.9°
C11C12H12A107.5°109.9°
H11C11H11A110.4°109.0°
C13C12H12107.5°110.0°
C13C12H12A107.5°109.9°
C12C13C17116.1°115.7°
C12C13C18109.8°110.5°
C12C13C14105.4°107.5°
H12C12H12A111.3°109.9°
C17C13C18111.0°110.5°
C17C13C1496.6°102.3°
C13C17C16108.2°102.9°
C13C17O17112.6°110.7°
C13C17H17108.3°110.7°
C18C13C14117.6°109.9°
C13C18H18109.5°109.5°
C13C18H18A109.5°109.5°
C13C18H18B109.5°109.5°
C13C14C15104.0°103.3°
C13C14H14115.9°109.7°
C15C14H14106.7°109.6°
C14C15C16102.2°105.3°
C14C15H15112.0°110.3°
C14C15H15A112.0°110.3°
C16C15H15112.0°110.3°
C16C15H15A111.9°110.3°
C15C16C17104.4°106.7°
C15C16H16111.2°110.1°
C15C16H16A111.2°110.1°
H15C15H15A106.9°110.2°
C17C16H16111.2°109.1°
C17C16H16A111.2°110.7°
C16C17O17109.7°110.7°
C16C17H17111.3°110.8°
H16C16H16A107.7°110.1°
O17C17H17106.8°110.7°
C17O17HO17109.5°114.0°
H18C18H18A109.5°109.5°
H18C18H18B109.5°109.5°
H18AC18H18B109.5°109.5°
H19C19H19A109.5°109.5°
H19C19H19B109.5°109.5°
H19AC19H19B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C10C1C2H1120.0°120.0°
C10C1C2H1A120.0°120.0°
C10C1H1H1A118.8°120.0°
C10C1C2C347.8°62.8°
C10C1C2H272.2°57.2°
C10C1C2H2A167.8°177.1°
C1C10C5C462.1°51.1°
C1C10C5C9119.3°123.1°
C1C10C5C19114.8°117.3°
C1C10C5C6117.4°129.1°
C1C10C9C8140.2°160.0°
C1C10C9C1187.8°76.3°
C1C10C9C19123.2°118.0°
C1C10C9H925.2°41.3°
C1C10C19H19180.0°60.0°
C1C10C19H19A60.0°180.0°
C1C10C19H19B60.0°60.0°
C2C1H1H1A118.8°120.0°
C1C2C3H2120.0°120.0°
C1C2C3H2A120.0°120.1°
C1C2H2H2A116.9°119.9°
C1C2C3C436.2°63.7°
C1C2C3O3154.7°176.3°
C1C2C3H381.3°56.2°
C2C1C10C554.8°54.2°
C2C1C10C9174.8°179.3°
C2C1C10C1958.6°62.7°
H1C1C2C3167.8°57.2°
H1C1C2H247.8°177.2°
H1C1C2H2A72.2°62.9°
H1C1C10C5174.8°65.7°
H1C1C10C965.2°59.3°
H1C1C10C1961.4°177.3°
H1AC1C2C372.2°177.2°
H1AC1C2H2167.8°62.7°
H1AC1C2H2A47.8°57.1°
H1AC1C10C565.2°174.2°
H1AC1C10C954.8°60.7°
H1AC1C10C19178.6°57.3°
C3C2H2H2A116.9°119.9°
C2C3C4O3117.9°120.0°
C2C3C4H3118.1°120.0°
C2C3O3H3118.1°120.1°
C2C3O3HO3180.0°180.0°
C2C3C4C535.0°55.2°
C2C3C4H485.0°64.5°
C2C3C4H4A155.0°175.0°
H2C2C3C483.8°56.3°
H2C2C3O334.7°63.7°
H2C2C3H3158.7°176.3°
H2AC2C3C4156.2°176.2°
H2AC2C3O385.3°56.2°
H2AC2C3H338.7°63.9°
C4C3O3H3117.5°120.0°
C4C3O3HO355.6°60.0°
C3C4C5H4120.0°119.7°
C3C4C5H4A120.0°119.8°
C3C4H4H4A120.1°120.5°
C3C4C5C1051.8°51.4°
C3C4C5C6127.8°128.8°
O3C3C4C5153.0°175.2°
O3C3C4H433.0°55.5°
O3C3C4H4A87.0°65.0°
H3C3O3HO361.9°60.0°
H3C3C4C583.0°64.8°
H3C3C4H4157.0°175.5°
H3C3C4H4A36.9°55.0°
C5C4H4H4A120.0°120.6°
C4C5C10C6179.5°179.8°
C4C5C6C7179.7°179.6°
C4C5C6H60.3°0.3°
C4C5C10C9178.6°174.2°
C4C5C10C1952.8°66.2°
H4C4C5C1068.2°68.3°
H4C4C5C6112.2°111.5°
H4AC4C5C10171.8°171.2°
H4AC4C5C67.8°9.1°
C10C5C6C70.7°0.6°
C10C5C6H6179.2°179.4°
C5C10C9C824.7°37.2°
C5C10C9C11156.8°160.9°
C5C10C9C19121.3°119.2°
C5C10C9H990.2°81.5°
C5C10C19H1968.3°58.2°
C5C10C19H19A171.7°61.8°
C5C10C19H19B51.7°178.1°
C5C6C7H6180.0°180.0°
C5C6C7C827.3°26.4°
C5C6C7H7147.3°146.3°
C5C6C7H7A92.7°93.5°
C6C5C10C91.9°6.0°
C6C5C10C19127.7°113.5°
C6C7C8H7120.0°119.9°
C6C7C8H7A120.0°120.0°
C6C7H7H7A119.4°120.2°
C6C7C8C14179.8°174.0°
C6C7C8C952.2°56.0°
C6C7C8H864.7°64.5°
H6C6C7C8152.8°153.6°
H6C6C7H732.7°33.8°
H6C6C7H7A87.3°86.4°
C8C7H7H7A119.3°120.1°
C7C8C14C9126.7°117.8°
C7C8C14H8116.7°121.5°
C7C8C9H8116.9°120.5°
C7C8C9C11173.7°174.5°
C7C8C9C1052.4°62.9°
C7C8C9H959.7°55.6°
C7C8C14C13179.3°179.6°
C7C8C14C1553.5°63.6°
C7C8C14H1459.5°61.6°
H7C7C8C1460.2°66.1°
H7C7C8C9172.2°176.0°
H7C7C8H855.4°55.4°
H7AC7C8C1459.8°54.0°
H7AC7C8C967.8°64.0°
H7AC7C8H8175.3°175.5°
C14C8C9H8115.5°120.7°
C14C8C9C1146.2°55.7°
C14C8C9C10179.9°178.2°
C14C8C9H967.8°63.2°
C8C14C13C1257.2°69.0°
C8C14C13C17176.6°168.8°
C8C14C13C1865.5°51.4°
C8C14C13C15134.7°125.1°
C8C14C13H14108.6°118.1°
C8C14C15H14106.9°124.7°
C8C14C15C16173.7°147.6°
C8C14C15H1553.7°28.7°
C8C14C15H15A66.3°93.3°
C8C9C11C10133.0°123.0°
C8C9C11H9115.5°119.1°
C8C9C10H9115.0°118.6°
C8C9C10C1996.6°82.1°
C8C9C11C1246.4°53.8°
C8C9C11H11166.4°174.4°
C8C9C11H11A73.6°66.6°
C9C8C14C1354.0°62.5°
C9C8C14C15179.7°178.6°
C9C8C14H1467.2°56.2°
H8C8C9C1169.4°65.0°
H8C8C9C1064.5°57.6°
H8C8C9H9176.6°176.2°
H8C8C14C1362.6°58.1°
H8C8C14C1563.1°57.9°
H8C8C14H14176.2°176.9°
C11C9C10H9113.0°117.6°
C11C9C10C1935.5°41.7°
C9C11C12H11120.0°120.6°
C9C11C12H11A120.0°120.6°
C9C11H11H11A118.9°119.0°
C9C11C12C1355.7°57.8°
C9C11C12H1264.3°61.7°
C9C11C12H12A175.7°177.2°
C10C9C11C12179.4°176.8°
C10C9C11H1160.6°62.6°
C10C9C11H11A59.4°56.3°
C9C10C19H1955.7°179.1°
C9C10C19H19A64.3°60.9°
C9C10C19H19B175.7°59.2°
H9C9C10C19148.4°159.3°
H9C9C11C1269.1°65.3°
H9C9C11H1150.9°55.3°
H9C9C11H11A170.9°174.2°
C10C19H19H19A120.0°120.0°
C10C19H19H19B120.0°119.9°
C10C19H19AH19B120.0°120.0°
C12C11H11H11A118.9°118.7°
C11C12C13H12120.0°119.4°
C11C12C13H12A120.0°119.4°
C11C12H12H12A117.6°121.1°
C11C12C13C17164.4°178.2°
C11C12C13C1868.7°55.3°
C11C12C13C1458.9°64.7°
H11C11C12C13175.7°178.4°
H11C11C12H1255.7°58.9°
H11C11C12H12A64.3°62.2°
H11AC11C12C1364.3°62.8°
H11AC11C12H12175.7°177.8°
H11AC11C12H12A55.7°56.6°
C13C12H12H12A117.6°121.2°
C12C13C17C18126.3°126.5°
C12C13C17C14110.8°116.5°
C12C13C18C14120.4°118.5°
C12C13C14C15168.1°165.9°
C12C13C14H1451.4°49.1°
C12C13C17C16147.9°156.8°
C12C13C17O1790.7°84.9°
C12C13C17H1727.1°38.3°
C12C13C18H18180.0°60.7°
C12C13C18H18A60.0°179.3°
C12C13C18H18B60.0°59.3°
H12C12C13C1744.4°58.8°
H12C12C13C18171.3°174.7°
H12C12C13C1461.1°54.7°
H12AC12C13C1775.6°62.4°
H12AC12C13C1851.3°64.1°
H12AC12C13C14178.9°175.9°
C17C13C18C14109.9°112.2°
C17C13C14C1548.7°43.6°
C17C13C14H1468.1°73.2°
C13C17C16C1511.9°22.5°
C13C17C16O17123.2°118.3°
C13C17C16H17118.8°118.4°
C13C17C16H16108.1°96.4°
C13C17C16H16A131.9°142.3°
C13C17O17H17118.7°123.2°
C13C17O17HO17180.0°180.0°
C17C13C18H1850.3°170.0°
C17C13C18H18A69.7°50.0°
C17C13C18H18B170.3°70.0°
C18C13C14C1569.2°73.8°
C18C13C14H14174.1°169.4°
C18C13C17C1685.8°76.7°
C18C13C17O1735.6°41.6°
C18C13C17H17153.4°164.8°
C13C18H18H18A120.0°120.0°
C13C18H18H18B120.0°120.0°
C13C18H18AH18B120.0°120.0°
C13C14C15H14123.0°116.9°
C13C14C15C1643.6°29.2°
C13C14C15H1576.4°89.7°
C13C14C15H15A163.5°148.3°
C14C13C17C1637.1°40.3°
C14C13C17O17158.5°158.6°
C14C13C17H1783.7°78.2°
C14C13C18H1859.6°57.9°
C14C13C18H18A179.6°62.2°
C14C13C18H18B60.5°177.8°
C14C15C16H15120.0°119.0°
C14C15C16H15A120.0°119.1°
C14C15H15H15A123.0°122.1°
C14C15C16C1718.4°4.3°
C14C15C16H16138.4°122.6°
C14C15C16H16A101.6°115.9°
H14C14C15C1679.4°87.7°
H14C14C15H15160.6°153.3°
H14C14C15H15A40.5°31.4°
C16C15H15H15A122.9°122.1°
C15C16C17H16120.0°118.9°
C15C16C17H16A120.0°119.8°
C15C16H16H16A122.1°121.5°
C15C16C17O17135.1°140.9°
C15C16C17H17107.0°95.9°
H15C15C16C17101.6°114.6°
H15C15C16H1618.4°3.6°
H15C15C16H16A138.4°125.2°
H15AC15C16C17138.4°123.4°
H15AC15C16H16101.6°118.3°
H15AC15C16H16A18.4°3.2°
C17C16H16H16A122.1°121.7°
C16C17O17H17120.7°123.3°
C16C17O17HO1759.4°66.5°
H16C16C17O1715.1°21.9°
H16C16C17H17133.0°145.2°
H16AC16C17O17104.9°99.4°
H16AC16C17H1713.0°23.9°
H17C17O17HO1761.3°56.8°
H18C18H18AH18B120.0°120.0°
H19C19H19AH19B120.0°120.0°

226262

PDB entries from 2024-10-16

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