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P2E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C3sing1.53Å1.55Å
C2C1sing1.51Å1.52Å
C3C4sing1.53Å1.54Å
C4C5sing1.51Å1.52Å
C5C6doub1.31Å1.34Å
C6C7sing1.51Å1.51Å
C7C8sing1.53Å1.53Å
C8C9sing1.52Å1.50Å
C8C12sing1.54Å1.51Å
C9O3doub1.21Å1.20Å
C9C10sing1.52Å1.51Å
C12C11sing1.55Å1.55Å
C12C13sing1.51Å1.51Å
C11O4sing1.43Å1.44Å
C11C10sing1.55Å1.51Å
C13C14doub1.31Å1.33Å
C14C15sing1.51Å1.51Å
C15O5sing1.43Å1.45Å
C15C16sing1.53Å1.54Å
C16C17sing1.53Å1.52Å
C17C18sing1.53Å1.53Å
C18C19sing1.53Å1.54Å
C19C20sing1.53Å1.53Å
O1C1doub1.21Å1.24Å
C1O2sing1.34Å1.25Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
O4HO4sing0.97Å0.95Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15H15sing1.09Å1.10Å
O5HO5sing0.97Å0.95Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C20H20Bsing1.09Å1.10Å
O2HO2sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C2C1114.1°109.4°
C2C3C4117.0°109.4°
C3C2H2108.0°109.4°
C3C2H2A106.9°109.5°
C2C3H3107.0°109.5°
C2C3H3A105.3°109.4°
C2C1O1116.6°120.0°
C2C1O2121.4°120.0°
C1C2H2107.9°109.5°
C1C2H2A106.9°109.5°
C3C4C5103.8°109.4°
C4C3H3107.0°109.5°
C4C3H3A105.3°109.5°
C3C4H4111.4°109.5°
C3C4H4A112.6°109.5°
C4C5C6128.7°120.0°
C5C4H4111.4°109.4°
C5C4H4A112.6°109.5°
C4C5H5115.6°120.0°
C5C6C7124.7°120.0°
C6C5H5115.6°120.0°
C5C6H6117.7°120.0°
C6C7C8116.2°109.5°
C7C6H6117.7°120.0°
C6C7H7107.3°109.5°
C6C7H7A105.7°109.5°
C7C8C9116.9°110.0°
C7C8C12112.0°110.0°
C8C7H7107.3°109.5°
C8C7H7A105.7°109.4°
C7C8H8100.1°110.0°
C9C8C12100.8°106.8°
C8C9O3123.5°126.3°
C8C9C10115.0°107.3°
C9C8H8111.4°110.0°
C8C12C11104.4°103.7°
C8C12C13111.4°110.6°
C12C8H8116.3°110.0°
C8C12H12111.3°110.6°
O3C9C10121.5°126.4°
C9C10C11100.1°104.4°
C9C10H10112.8°110.4°
C9C10H10A114.7°110.4°
C11C12C13108.8°110.6°
C12C11O4114.6°110.8°
C12C11C10106.2°102.4°
C11C12H12113.8°110.6°
C12C11H11108.2°110.8°
C12C13C14116.4°120.0°
C13C12H12107.1°110.6°
C12C13H13121.8°120.0°
O4C11C10109.2°110.9°
O4C11H11105.2°110.7°
C11O4HO4109.5°114.0°
C10C11H11113.7°111.0°
C11C10H10112.7°110.5°
C11C10H10A114.6°110.5°
C13C14C15119.7°120.0°
C14C13H13121.8°119.9°
C13C14H14120.1°120.0°
C14C15O5102.6°109.4°
C14C15C16112.1°109.5°
C15C14H14120.1°120.0°
C14C15H15112.8°109.5°
O5C15C16111.0°109.5°
O5C15H15113.9°109.5°
C15O5HO5109.5°114.0°
C15C16C17115.8°109.5°
C16C15H15104.7°109.5°
C15C16H16107.4°109.5°
C15C16H16A106.0°109.4°
C16C17C18112.7°109.5°
C17C16H16107.4°109.5°
C17C16H16A106.0°109.5°
C16C17H17108.4°109.5°
C16C17H17A107.7°109.5°
C17C18C19113.2°109.5°
C18C17H17108.4°109.4°
C18C17H17A107.7°109.5°
C17C18H18108.3°109.4°
C17C18H18A107.4°109.4°
C18C19C20108.4°109.5°
C19C18H18108.3°109.5°
C19C18H18A107.4°109.5°
C18C19H19109.8°109.5°
C18C19H19A110.1°109.4°
C20C19H19109.8°109.5°
C20C19H19A110.0°109.5°
C19C20H20109.5°109.5°
C19C20H20A109.5°109.5°
C19C20H20B109.5°109.5°
O1C1O2121.9°119.9°
C1O2HO2109.5°117.1°
H2C2H2A113.2°109.5°
H3C3H3A115.6°109.5°
H4C4H4A105.2°109.5°
H7C7H7A114.9°109.5°
H10C10H10A102.5°110.5°
H16C16H16A114.5°109.5°
H17C17H17A112.0°109.4°
H18C18H18A112.4°109.5°
H19C19H19A108.7°109.5°
H20C20H20A109.5°109.4°
H20C20H20B109.4°109.5°
H20AC20H20B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C2C1H2120.0°120.0°
C3C2C1H2A118.0°120.0°
C2C3C4H3120.0°120.0°
C2C3C4H3A116.5°120.0°
C2C3C4C5178.2°180.0°
C3C2C1O1107.6°0.0°
C3C2C1O272.9°180.0°
C3C2H2H2A118.1°120.0°
C2C3H3H3A116.9°120.0°
C2C3C4H461.8°60.0°
C2C3C4H4A56.1°60.0°
C1C2C3C474.7°180.0°
C2C1O1O2179.4°180.0°
C1C2H2H2A118.1°120.1°
C1C2C3H345.3°60.0°
C1C2C3H3A168.8°60.0°
C2C1O2HO2179.4°180.0°
C3C4C5H4120.0°120.0°
C3C4C5H4A122.1°120.0°
C3C4C5C6116.2°127.7°
C4C3C2H245.3°60.0°
C4C3C2H2A167.3°60.0°
C4C3H3H3A116.9°120.1°
C3C4H4H4A122.3°120.1°
C3C4C5H563.8°52.4°
C4C5C6H5180.0°179.9°
C4C5C6C74.6°7.5°
C5C4C3H358.2°60.0°
C5C4C3H3A65.3°60.0°
C5C4H4H4A122.3°120.0°
C4C5C6H6175.4°172.5°
C5C6C7H6180.0°180.0°
C5C6C7C8108.7°126.3°
C6C5C4H4123.8°7.7°
C6C5C4H4A5.9°112.3°
C5C6C7H7131.3°113.7°
C5C6C7H7A8.2°6.3°
C6C7C8H7120.0°120.0°
C6C7C8H7A116.9°120.0°
C6C7C8C962.6°66.5°
C6C7C8C1253.0°176.1°
C7C6C5H5175.4°172.4°
C6C7H7H7A117.2°120.0°
C6C7C8H8177.0°54.8°
C7C8C9C12121.7°119.3°
C7C8C9H8114.2°121.3°
C7C8C12H8114.3°121.3°
C7C8C9O342.4°61.1°
C7C8C9C10136.6°119.0°
C7C8C12C11155.9°142.4°
C7C8C12C1386.8°99.0°
C8C7C6H671.2°53.7°
C8C7H7H7A117.2°120.0°
C7C8C12H1232.7°23.9°
C9C8C12H8120.7°119.3°
C8C9O3C10178.9°180.0°
C9C8C12C1130.9°23.1°
C9C8C12C13148.2°141.7°
C8C9C10C117.7°23.8°
C9C8C7H7177.4°53.5°
C9C8C7H7A54.3°173.6°
C9C8C12H1292.3°95.4°
C8C9C10H10127.7°142.5°
C8C9C10H10A115.4°95.0°
C12C8C9O3164.0°179.6°
C12C8C9C1015.0°0.4°
C8C12C11C13119.1°118.6°
C8C12C11H12121.6°118.5°
C8C12C13H12122.0°122.9°
C8C12C11O4158.9°155.3°
C8C12C11C1038.3°37.1°
C8C12C13C14130.5°120.0°
C12C8C7H767.0°63.9°
C12C8C7H7A169.9°56.1°
C8C12C11H1184.2°81.4°
C8C12C13H1349.5°59.9°
O3C9C10C11173.2°156.2°
O3C9C8H871.9°60.2°
O3C9C10H1053.2°37.4°
O3C9C10H10A63.6°85.1°
C9C10C11C1227.1°37.6°
C9C10C11O4151.1°155.8°
C9C10C11H10120.0°118.7°
C9C10C11H10A123.2°118.7°
C10C9C8H8109.1°119.7°
C9C10C11H1191.8°80.7°
C9C10H10H10A123.8°122.4°
C11C12C13H12123.4°122.8°
C12C11O4C10118.9°112.9°
C12C11O4H11118.7°123.4°
C12C11C10H11118.9°118.3°
C11C12C13C14114.9°125.7°
C11C12C8H889.8°96.2°
C12C11O4HO481.7°180.0°
C12C11C10H10147.1°156.3°
C12C11C10H10A96.1°81.1°
C11C12C13H1365.1°54.4°
C13C12C11O482.0°86.1°
C13C12C11C10157.3°155.7°
C12C13C14H13180.0°179.9°
C12C13C14C15176.2°180.0°
C13C12C8H827.5°22.3°
C13C12C11H1134.9°37.2°
C12C13C14H143.8°0.0°
O4C11C10H11117.1°123.5°
O4C11C12H1237.3°36.8°
O4C11C10H1088.9°85.5°
O4C11C10H10A27.9°37.1°
C10C11C12H1283.3°81.5°
C10C11O4HO437.3°67.1°
C11C10H10H10A123.7°122.6°
C13C14C15H14180.0°180.0°
C13C14C15O5113.4°5.0°
C13C14C15C16127.4°125.0°
C14C13C12H128.5°2.9°
C13C14C15H159.5°115.0°
C14C15O5C16120.0°120.0°
C14C15O5H15122.2°120.0°
C14C15C16H15122.6°120.0°
C14C15C16C1753.6°175.0°
C15C14C13H133.8°0.1°
C14C15O5HO526.1°60.0°
C14C15C16H1666.4°65.0°
C14C15C16H16A170.7°55.0°
O5C15C16H15123.3°120.0°
O5C15C16C1760.6°65.0°
O5C15C14H1466.6°175.0°
O5C15C16H16179.4°55.0°
O5C15C16H16A56.6°175.0°
C15C16C17H16120.0°120.0°
C15C16C17H16A117.2°120.0°
C15C16C17C18150.8°180.0°
C16C15C14H1452.6°55.0°
C16C15O5HO5146.1°60.0°
C15C16H16H16A117.4°120.0°
C15C16C17H1730.8°60.0°
C15C16C17H17A90.6°60.0°
C16C17C18H17120.0°120.0°
C16C17C18H17A118.6°120.0°
C16C17C18C1985.6°NaN°
C17C16C15H15176.2°55.0°
C17C16H16H16A117.4°120.0°
C16C17H17H17A118.7°120.0°
C16C17C18H1834.4°60.0°
C16C17C18H18A156.0°59.9°
C17C18C19H18120.0°120.0°
C17C18C19H18A118.4°120.0°
C17C18C19C20174.9°180.0°
C18C17C16H1689.2°60.0°
C18C17C16H16A33.7°60.0°
C18C17H17H17A118.7°120.0°
C17C18H18H18A118.5°119.9°
C17C18C19H1954.9°60.0°
C17C18C19H19A64.7°60.0°
C18C19C20H19120.0°120.0°
C18C19C20H19A120.4°120.0°
C19C18C17H17154.4°60.0°
C19C18C17H17A33.0°60.0°
C19C18H18H18A118.5°120.1°
C18C19H19H19A120.5°120.0°
C18C19C20H2021.6°60.0°
C18C19C20H20A98.4°60.0°
C18C19C20H20B141.6°180.0°
C20C19C18H1865.1°60.0°
C20C19C18H18A56.5°60.0°
C20C19H19H19A120.4°120.0°
C19C20H20H20A120.0°120.0°
C19C20H20H20B120.0°120.0°
C19C20H20AH20B120.0°120.0°
O1C1C2H212.4°120.0°
O1C1C2H2A134.4°120.0°
O1C1O2HO20.0°0.1°
O2C1C2H2167.1°60.0°
O2C1C2H2A45.0°60.0°
H2C2C3H3165.3°60.0°
H2C2C3H3A71.2°180.0°
H2AC2C3H372.7°180.0°
H2AC2C3H3A50.8°60.0°
H3C3C4H4178.2°180.0°
H3C3C4H4A63.9°59.9°
H3AC3C4H454.7°59.9°
H3AC3C4H4A172.6°180.0°
H4C4C5H556.2°172.4°
H4AC4C5H5174.1°67.6°
H5C5C6H64.6°7.6°
H6C6C7H748.8°66.3°
H6C6C7H7A171.9°173.7°
H7C7C8H856.9°174.8°
H7AC7C8H866.1°65.2°
H8C8C12H12147.0°145.2°
H12C12C11H11154.3°160.1°
H12C12C13H13171.5°177.2°
H11C11O4HO4159.6°56.6°
H11C11C10H1028.2°38.0°
H11C11C10H10A145.0°160.6°
H13C13C14H14176.2°180.0°
H14C14C15H15170.5°65.0°
H15C15O5HO596.1°180.0°
H15C15C16H1656.2°175.0°
H15C15C16H16A66.7°65.0°
H16C16C17H17150.8°180.0°
H16C16C17H17A29.4°60.0°
H16AC16C17H1786.3°60.0°
H16AC16C17H17A152.3°179.9°
H17C17C18H1885.6°180.0°
H17C17C18H18A36.0°60.1°
H17AC17C18H18153.0°60.1°
H17AC17C18H18A85.4°180.0°
H18C18C19H19174.9°180.0°
H18C18C19H19A55.3°60.0°
H18AC18C19H1963.5°60.0°
H18AC18C19H19A176.9°180.0°
H19C19C20H20141.6°180.0°
H19C19C20H20A21.6°60.0°
H19C19C20H20B98.4°60.0°
H19AC19C20H2098.8°60.0°
H19AC19C20H20A141.2°179.9°
H19AC19C20H20B21.2°60.0°
H20C20H20AH20B120.0°120.0°

227111

PDB entries from 2024-11-06

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