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Obsolete: 2WS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O14C13sing1.43Å1.46Å
O06C01sing1.43Å1.48Å
O06C05sing1.43Å1.45Å
C02C01sing1.53Å1.54Å
C02O28sing1.43Å1.46Å
C02C03sing1.53Å1.46Å
O07C05sing1.43Å1.44Å
O07C08sing1.43Å1.41Å
O27C03sing1.43Å1.42Å
C04C05sing1.53Å1.54Å
C04C03sing1.53Å1.48Å
C04O26sing1.43Å1.47Å
C13C08sing1.53Å1.45Å
C13C12sing1.53Å1.47Å
O15C12sing1.43Å1.42Å
C08C09sing1.53Å1.53Å
C12C11sing1.53Å1.52Å
C09O10sing1.43Å1.46Å
C11O10sing1.43Å1.46Å
C11O16sing1.43Å1.44Å
O16C17sing1.43Å1.47Å
C18C17sing1.53Å1.52Å
C18O19sing1.43Å1.45Å
C17C22sing1.53Å1.46Å
O19C20sing1.43Å1.47Å
C22O23sing1.43Å1.41Å
C22C21sing1.53Å1.46Å
C20C21sing1.53Å1.51Å
C20O25sing1.43Å1.45Å
C21O24sing1.43Å1.45Å
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C02H3sing1.09Å1.10Å
C03H4sing1.09Å1.10Å
C04H5sing1.09Å1.10Å
C05H6sing1.09Å1.10Å
C08H7sing1.09Å1.10Å
C09H8sing1.09Å1.10Å
C09H9sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
O14H13sing0.97Å0.95Å
O15H14sing0.97Å0.95Å
C17H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
O23H21sing0.97Å0.95Å
O24H22sing0.97Å0.95Å
O25H23sing0.97Å0.95Å
O26H24sing0.97Å0.95Å
O27H25sing0.97Å0.95Å
O28H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O14C13C08108.9°109.5°
O14C13C12109.0°109.5°
O14C13H12108.9°109.6°
C13O14H13109.5°114.1°
C01O06C05112.2°114.1°
O06C01C02112.1°109.4°
O06C01H1108.8°109.5°
O06C01H2108.8°109.5°
O06C05O07108.9°109.5°
O06C05C04112.0°109.4°
O06C05H6109.3°109.5°
C01C02O28109.1°109.5°
C01C02C03112.1°109.2°
C02C01H1108.8°109.5°
C02C01H2108.8°109.5°
C01C02H3108.2°109.5°
O28C02C03109.0°109.5°
O28C02H3109.2°109.6°
C02O28H26109.5°114.0°
C02C03O27108.8°109.6°
C02C03C04112.0°109.0°
C03C02H3109.2°109.5°
C02C03H4108.9°109.5°
C05O07C08109.6°114.0°
O07C05C04108.8°109.5°
O07C05H6109.5°109.5°
O07C08C13108.8°109.5°
O07C08C09108.6°109.5°
O07C08H7109.9°109.5°
O27C03C04109.0°109.6°
O27C03H4109.5°109.6°
C03O27H25109.5°114.0°
C05C04C03112.1°109.2°
C05C04O26108.8°109.5°
C05C04H5108.4°109.5°
C04C05H6108.2°109.4°
C03C04O26109.1°109.5°
C04C03H4108.6°109.5°
C03C04H5109.1°109.5°
O26C04H5109.3°109.6°
C04O26H24109.5°114.0°
C08C13C12112.1°109.0°
C13C08C09112.0°109.1°
C13C08H7109.2°109.6°
C08C13H12109.1°109.6°
C13C12O15109.1°109.6°
C13C12C11112.1°109.2°
C13C12H11108.8°109.6°
C12C13H12108.8°109.5°
O15C12C11109.2°109.5°
O15C12H11109.5°109.5°
C12O15H14109.5°114.0°
C08C09O10112.1°109.4°
C09C08H7108.2°109.5°
C08C09H8108.8°109.4°
C08C09H9108.8°109.4°
C12C11O10112.0°109.3°
C12C11O16109.0°109.5°
C12C11H10108.2°109.5°
C11C12H11108.2°109.5°
C09O10C11112.2°114.1°
O10C09H8108.8°109.5°
O10C09H9108.8°109.5°
O10C11O16109.2°109.5°
O10C11H10109.0°109.5°
C11O16C17109.5°114.0°
O16C11H10109.4°109.5°
O16C17C18108.9°109.5°
O16C17C22109.4°109.5°
O16C17H15108.9°109.5°
C17C18O19112.1°109.4°
C18C17C22112.0°109.1°
C18C17H15108.4°109.6°
C17C18H16108.8°109.5°
C17C18H17108.8°109.5°
C18O19C20112.2°114.1°
O19C18H16108.8°109.4°
O19C18H17108.8°109.5°
C17C22O23109.0°109.6°
C17C22C21112.0°109.1°
C22C17H15109.1°109.5°
C17C22H20108.7°109.5°
O19C20C21112.1°109.4°
O19C20O25109.0°109.5°
O19C20H18108.9°109.4°
O23C22C21109.0°109.6°
O23C22H20109.4°109.5°
C22O23H21109.5°114.0°
C22C21C20112.1°109.2°
C22C21O24108.9°109.5°
C22C21H19109.0°109.6°
C21C22H20108.6°109.6°
C21C20O25109.1°109.5°
C20C21O24109.0°109.5°
C21C20H18108.4°109.4°
C20C21H19108.5°109.5°
O25C20H18109.2°109.5°
C20O25H23109.5°114.0°
O24C21H19109.3°109.5°
C21O24H22109.5°114.0°
H1C01H2109.5°109.5°
H8C09H9109.4°109.5°
H16C18H17109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O14C13C08O0766.4°63.3°
O14C13C08C12120.7°119.8°
O14C13C08H12118.8°120.3°
O14C13C12H12118.7°120.3°
O14C13C12O1565.3°63.2°
O14C13C08C09173.5°176.8°
O14C13C12C11173.8°176.9°
O14C13C08H753.6°56.9°
O14C13C12H1154.1°56.9°
O06C01C02H1120.4°120.0°
O06C01C02H2120.4°120.0°
O06C01C02O28173.7°177.5°
O06C01C02C0352.9°57.6°
C01O06C05O07173.4°178.8°
C01O06C05C0453.0°61.2°
O06C01H1H2118.8°120.1°
O06C01C02H367.5°62.3°
C01O06C05H666.9°58.8°
C05O06C01C0253.1°61.2°
O06C05O07C04122.4°120.0°
O06C05O07H6119.5°120.1°
O06C05O07C0899.1°65.0°
O06C05C04H6120.6°120.0°
O06C05C04C0353.0°57.6°
O06C05C04O26173.7°177.5°
C05O06C01H1173.4°58.8°
C05O06C01H267.3°178.8°
O06C05C04H567.6°62.2°
C01C02O28C03122.7°119.7°
C01C02O28H3118.1°120.1°
C01C02C03H3119.9°119.9°
C01C02C03O27173.5°176.9°
C01C02C03C0452.9°56.9°
C02C01H1H2118.9°120.0°
C01C02C03H467.2°62.9°
C01C02O28H26180.0°60.0°
O28C02C03H3119.2°120.2°
O28C02C03O2765.6°63.2°
O28C02C03C04173.8°176.9°
O28C02C01H165.9°57.5°
O28C02C01H253.4°62.5°
O28C02C03H453.7°57.0°
C02C03O27C04122.4°119.6°
C02C03O27H4119.0°120.2°
C02C03C04C0552.9°56.9°
C02C03C04H4120.3°119.9°
C02C03C04O26173.4°176.9°
C03C02C01H1173.3°62.4°
C03C02C01H267.4°177.6°
C02C03C04H567.3°62.9°
C02C03O27H25180.0°60.0°
C03C02O28H2657.3°179.7°
O07C05C04H6118.9°120.0°
O07C05C04C03173.5°177.6°
O07C05C04O2665.8°62.5°
C05O07C08C13159.7°150.3°
C05O07C08C0978.1°90.0°
O07C05C04H552.9°57.8°
C05O07C08H740.1°30.1°
C08O07C05C04138.5°175.0°
O07C08C13C09120.1°119.9°
O07C08C13H7120.0°120.2°
O07C08C13C12172.9°176.9°
O07C08C09H7119.3°120.2°
O07C08C09O10173.1°177.5°
C08O07C05H620.4°55.0°
O07C08C09H852.7°57.5°
O07C08C09H966.5°62.5°
O07C08C13H1252.4°57.0°
O27C03C04C05173.3°176.9°
O27C03C04H4119.2°120.2°
O27C03C04O2666.1°63.2°
O27C03C02H353.6°57.0°
O27C03C04H553.2°57.0°
C05C04C03O26120.5°119.9°
C05C04C03H5120.2°119.8°
C05C04O26H5118.2°120.2°
C05C04C03H467.4°62.9°
C05C04O26H24180.0°60.0°
C03C04O26H5119.2°120.1°
C04C03C02H367.0°62.9°
C03C04C05H667.6°62.4°
C03C04O26H2457.4°179.7°
C04C03O27H2557.6°179.6°
O26C04C03H453.1°57.0°
O26C04C05H653.1°57.5°
C08C13C12H12120.7°119.9°
C08C13C12O15174.1°176.9°
C13C08C09H7120.5°119.9°
C08C13C12C1153.1°57.0°
C13C08C09O1052.9°57.6°
C13C08C09H867.5°62.4°
C13C08C09H9173.3°177.6°
C08C13C12H1166.5°62.9°
C08C13O14H13180.0°180.0°
C13C12O15C11122.7°119.7°
C13C12O15H11119.0°120.2°
C12C13C08C0952.8°57.0°
C13C12C11H11120.0°120.0°
C13C12C11O1053.0°57.6°
C13C12C11O16173.9°177.6°
C12C13C08H767.1°63.0°
C13C12C11H1067.2°62.3°
C12C13O14H1357.4°60.5°
C13C12O15H14180.0°179.7°
O15C12C11H11119.1°120.1°
O15C12C11O10174.0°177.6°
O15C12C11O1665.1°62.5°
O15C12C11H1053.7°57.6°
O15C12C13H1253.4°57.0°
C08C09O10H8120.4°120.0°
C08C09O10H9120.4°119.9°
C08C09O10C1152.9°61.2°
C08C09H8H9118.8°119.9°
C09C08C13H1267.7°62.9°
C12C11O10C0953.2°61.2°
C12C11O10O16120.8°119.9°
C12C11O10H10119.8°120.0°
C12C11O16H10118.1°120.1°
C12C11O16C17159.3°175.1°
C11C12C13H1267.6°62.8°
C11C12O15H1457.3°60.0°
C09O10C11O16174.0°178.9°
O10C09C08H767.6°62.3°
O10C09H8H9118.8°120.1°
C09O10C11H1066.6°58.8°
O10C11O16H10119.2°120.1°
O10C11O16C1778.1°65.1°
C11O10C09H867.5°58.7°
C11O10C09H9173.3°178.8°
O10C11C12H1166.9°62.3°
C11O16C17C1893.6°90.3°
C11O16C17C22143.7°150.0°
O16C11C12H1154.0°57.6°
C11O16C17H1524.5°29.9°
O16C17C18C22121.1°119.9°
O16C17C18H15118.4°120.2°
O16C17C18O19174.2°177.5°
O16C17C22H15119.1°120.1°
O16C17C22O2365.5°63.2°
O16C17C22C21173.7°176.9°
C17O16C11H1041.1°55.0°
O16C17C18H1653.8°57.5°
O16C17C18H1765.4°62.5°
O16C17C22H2053.7°56.9°
C17C18O19H16120.4°120.0°
C17C18O19H17120.4°120.0°
C18C17C22H15120.0°120.0°
C17C18O19C2053.0°61.1°
C18C17C22O23173.6°176.9°
C18C17C22C2152.8°57.0°
C17C18H16H17118.8°120.0°
C18C17C22H2067.2°63.0°
O19C18C17C2253.1°57.6°
C18O19C20C2153.1°61.1°
C18O19C20O25174.0°178.9°
O19C18C17H1567.4°62.4°
O19C18H16H17118.8°120.0°
C18O19C20H1866.9°58.8°
C17C22O23C21122.6°119.6°
C17C22O23H20118.8°120.2°
C17C22C21H20120.1°119.9°
C17C22C21C2053.0°57.0°
C17C22C21O24173.6°176.9°
C22C17C18H1667.3°62.4°
C22C17C18H17173.5°177.6°
C17C22C21H1967.2°62.9°
C17C22O23H21180.0°180.0°
O19C20C21C2252.9°57.5°
O19C20C21O25120.8°120.0°
O19C20C21H18120.3°119.9°
O19C20O25H18118.9°120.0°
O19C20C21O24173.5°177.5°
C20O19C18H1667.4°58.9°
C20O19C18H17173.4°178.9°
O19C20C21H1967.6°62.4°
O19C20O25H23180.0°60.0°
O23C22C21H20119.2°120.2°
O23C22C21C20173.7°176.9°
O23C22C21O2465.6°63.2°
O23C22C17H1553.5°56.9°
O23C22C21H1953.6°57.0°
C22C21C20O24120.6°119.9°
C22C21C20H19120.5°120.0°
C22C21C20O25173.7°177.6°
C22C21O24H19119.0°120.2°
C21C22C17H1567.2°63.0°
C22C21C20H1867.4°62.4°
C21C22O23H2157.4°60.4°
C22C21O24H22180.0°179.7°
C21C20O25H18118.4°120.0°
C20C21O24H19118.4°120.1°
C20C21C22H2067.1°62.9°
C20C21O24H2257.4°60.0°
C21C20O25H2357.3°179.9°
O25C20C21O2465.7°62.5°
O25C20C21H1953.2°57.6°
O24C21C20H1853.2°57.6°
O24C21C22H2053.6°57.0°
H1C01C02H352.9°177.7°
H2C01C02H3172.1°57.7°
H3C02C03H4172.9°177.2°
H3C02O28H2661.9°60.1°
H4C03C04H5172.4°177.2°
H4C03O27H2561.0°60.2°
H5C04C05H6171.8°177.8°
H5C04O26H2461.8°60.1°
H7C08C09H8172.0°177.6°
H7C08C09H952.8°57.7°
H7C08C13H12172.4°177.2°
H10C11C12H11172.8°177.7°
H11C12C13H12172.8°177.2°
H11C12O15H1461.0°60.1°
H12C13O14H1361.1°59.8°
H15C17C18H16172.2°177.7°
H15C17C18H1753.0°57.6°
H15C17C22H20172.8°177.1°
H18C20C21H19172.1°177.7°
H18C20O25H2361.1°60.0°
H19C21C22H20172.7°177.2°
H19C21O24H2261.0°60.1°
H20C22O23H2161.2°59.8°

225399

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