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7HW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C18doub1.31Å1.38Å
C19C20sing1.51Å1.51Å
C18C17sing1.51Å1.50Å
C21C20sing1.53Å1.50Å
C21C22sing1.51Å1.50Å
C22O4doub1.21Å1.26Å
C22O3sing1.34Å1.26Å
C17C16sing1.51Å1.49Å
C16C15doub1.31Å1.39Å
C15C14sing1.51Å1.52Å
C14C13sing1.51Å1.52Å
C13C12doub1.31Å1.39Å
C12C11sing1.51Å1.49Å
C11C10sing1.51Å1.51Å
C10C9doub1.31Å1.39Å
C7C8sing1.51Å1.51Å
C7C6doub1.31Å1.40Å
C9C8sing1.51Å1.52Å
C6C5sing1.51Å1.50Å
C5C4sing1.53Å1.50Å
C4C3sing1.53Å1.50Å
C4O2sing1.43Å1.39Å
C3C2sing1.53Å1.51Å
C2C1sing1.53Å1.49Å
C3O1sing1.43Å1.42Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C6H7sing1.08Å1.08Å
C12H8sing1.08Å1.08Å
C13H10sing1.08Å1.08Å
C14H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C15H14sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C17H18sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C18H20sing1.08Å1.08Å
O3H21sing0.97Å0.95Å
C21H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C20H24sing1.09Å1.10Å
C20H25sing1.09Å1.10Å
C19H26sing1.08Å1.08Å
C11H27sing1.09Å1.10Å
C11H28sing1.09Å1.10Å
C10H29sing1.08Å1.08Å
C9H30sing1.08Å1.08Å
C8H31sing1.09Å1.10Å
C8H32sing1.09Å1.10Å
C7H33sing1.08Å1.08Å
C5H34sing1.09Å1.10Å
C5H35sing1.09Å1.10Å
O2H36sing0.97Å0.95Å
C3H37sing1.09Å1.10Å
O1H38sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C19C20120.1°120.0°
C19C18C17120.7°120.0°
C19C18H20119.6°120.0°
C18C19H26120.0°120.0°
C19C20C21110.1°109.5°
C19C20H24109.3°109.5°
C19C20H25109.3°109.6°
C20C19H26119.9°120.0°
C18C17C16110.5°109.5°
C18C17H18109.2°109.5°
C18C17H19109.2°109.5°
C17C18H20119.6°120.0°
C20C21C22117.1°109.5°
C20C21H22107.5°109.5°
C20C21H23107.5°109.5°
C21C20H24109.3°109.4°
C21C20H25109.3°109.5°
C21C22O4120.0°120.0°
C21C22O3120.0°120.0°
C22C21H22107.5°109.5°
C22C21H23107.6°109.5°
O4C22O3120.0°120.0°
C22O3H21109.5°117.0°
C17C16C15122.5°120.0°
C17C16H16118.8°120.0°
C16C17H18109.2°109.5°
C16C17H19109.2°109.4°
C16C15C14123.3°120.0°
C16C15H14118.4°120.0°
C15C16H16118.8°120.0°
C15C14C13109.8°109.5°
C15C14H12109.4°109.5°
C15C14H13109.4°109.5°
C14C15H14118.3°120.0°
C14C13C12123.3°120.0°
C14C13H10118.4°120.0°
C13C14H12109.4°109.5°
C13C14H13109.4°109.5°
C13C12C11123.6°120.0°
C13C12H8118.2°120.0°
C12C13H10118.3°120.0°
C12C11C10108.3°109.5°
C11C12H8118.2°120.0°
C12C11H27109.8°109.5°
C12C11H28109.8°109.5°
C11C10C9120.5°120.0°
C10C11H27109.8°109.4°
C10C11H28109.8°109.5°
C11C10H29119.7°120.0°
C10C9C8119.3°120.0°
C9C10H29119.8°119.9°
C10C9H30120.4°120.0°
C8C7C6120.6°120.0°
C7C8C9109.3°109.5°
C7C8H31109.5°109.4°
C7C8H32109.5°109.5°
C8C7H33119.7°120.0°
C7C6C5119.0°120.0°
C7C6H7120.5°120.0°
C6C7H33119.7°120.0°
C8C9H30120.3°120.0°
C9C8H31109.5°109.5°
C9C8H32109.5°109.5°
C6C5C4112.9°109.5°
C5C6H7120.5°120.0°
C6C5H34108.6°109.4°
C6C5H35108.6°109.5°
C5C4C3113.5°109.5°
C5C4O2105.6°109.5°
C5C4H6108.6°109.4°
C4C5H34108.6°109.5°
C4C5H35108.6°109.5°
C3C4O2110.2°109.5°
C4C3C2112.2°109.5°
C4C3O1113.2°109.5°
C3C4H6108.6°109.5°
C4C3H37106.7°109.5°
O2C4H6110.3°109.4°
C4O2H36109.5°114.0°
C3C2C1114.8°109.5°
C2C3O1110.1°109.5°
C3C2H4108.1°109.4°
C3C2H5108.1°109.5°
C2C3H37106.6°109.4°
C2C1H1109.5°109.4°
C2C1H2109.5°109.5°
C2C1H3109.4°109.5°
C1C2H4108.1°109.4°
C1C2H5108.1°109.5°
O1C3H37107.6°109.5°
C3O1H38109.5°114.0°
H1C1H2109.5°109.5°
H1C1H3109.4°109.5°
H2C1H3109.5°109.4°
H4C2H5109.5°109.5°
H12C14H13109.5°109.4°
H18C17H19109.5°109.4°
H22C21H23109.4°109.5°
H24C20H25109.5°109.4°
H27C11H28109.5°109.5°
H31C8H32109.5°109.5°
H34C5H35109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C19C20H26180.0°179.9°
C19C18C17H20180.0°180.0°
C18C19C20C21123.7°126.3°
C19C18C17C16150.9°126.3°
C19C18C17H1830.7°6.3°
C19C18C17H1989.0°113.7°
C18C19C20H24116.2°6.3°
C18C19C20H253.6°113.7°
C20C19C18C1712.1°8.1°
C19C20C21H24120.1°120.0°
C19C20C21H25120.1°120.1°
C19C20C21C22111.7°180.0°
C20C19C18H20167.9°172.0°
C19C20C21H229.4°60.0°
C19C20C21H23127.2°60.0°
C19C20H24H25119.7°120.1°
C18C17C16H18120.2°120.0°
C18C17C16H19120.2°120.0°
C18C17C16C15131.1°126.3°
C18C17C16H1648.9°53.7°
C18C17H18H19119.5°120.0°
C17C18C19H26167.8°171.9°
C20C21C22H22121.1°120.0°
C20C21C22H23121.1°120.0°
C20C21C22O4107.0°0.0°
C20C21C22O372.8°180.0°
C20C21H22H23116.5°120.0°
C21C20H24H25119.7°119.9°
C21C20C19H2656.3°53.8°
C21C22O4O3179.9°180.0°
C21C22O3H21179.9°180.0°
C22C21H22H23116.5°120.0°
C22C21C20H24128.2°60.0°
C22C21C20H258.4°59.9°
O4C22O3H210.0°0.0°
O4C22C21H2214.1°120.0°
O4C22C21H23131.9°120.0°
O3C22C21H22166.0°60.0°
O3C22C21H2348.3°60.0°
C17C16C15H16180.0°180.0°
C17C16C15C1483.2°8.0°
C17C16C15H1496.8°171.9°
C16C17H18H19119.5°120.0°
C16C17C18H2029.1°53.6°
C16C15C14H14180.0°180.0°
C16C15C14C1358.9°126.3°
C16C15C14H12179.0°6.3°
C16C15C14H1361.1°113.6°
C15C16C17H18108.7°113.6°
C15C16C17H1911.0°6.3°
C15C14C13H12120.0°120.0°
C15C14C13H13120.0°120.0°
C15C14C13C12148.4°126.3°
C15C14C13H1031.6°53.7°
C15C14H12H13119.8°120.0°
C14C15C16H1696.8°171.9°
C14C13C12H10180.0°180.0°
C14C13C12C1129.2°7.1°
C14C13C12H8150.8°172.9°
C13C14H12H13119.9°120.0°
C13C14C15H14121.1°53.7°
C13C12C11H8180.0°180.0°
C13C12C11C10158.2°126.3°
C12C13C14H1228.3°113.7°
C12C13C14H1391.6°6.3°
C13C12C11H2738.3°113.7°
C13C12C11H2882.0°6.3°
C12C11C10H27119.8°120.0°
C12C11C10H28119.8°120.0°
C12C11C10C9170.1°128.9°
C11C12C13H10150.8°172.9°
C12C11H27H28120.5°120.0°
C12C11C10H299.9°51.1°
C11C10C9H29180.0°180.0°
C11C10C9C81.2°8.0°
C10C11C12H821.8°53.7°
C10C11H27H28120.6°120.0°
C11C10C9H30178.8°172.0°
C10C9C8C7112.5°128.9°
C10C9C8H30180.0°180.0°
C9C10C11H2770.1°8.8°
C9C10C11H2850.3°111.1°
C10C9C8H31127.5°111.2°
C10C9C8H327.5°8.9°
C8C7C6H33180.0°180.0°
C7C8C9H31120.0°120.0°
C7C8C9H32120.0°120.0°
C8C7C6C52.1°8.0°
C8C7C6H7177.8°172.0°
C7C8C9H3067.5°51.1°
C7C8H31H32120.1°120.0°
C6C7C8C9146.7°128.9°
C7C6C5H7180.0°179.9°
C7C6C5C4141.9°128.9°
C6C7C8H3126.8°8.9°
C6C7C8H3293.3°111.1°
C7C6C5H3497.6°8.9°
C7C6C5H3521.4°111.1°
C8C9C10H29178.8°172.0°
C9C8H31H32120.1°120.0°
C9C8C7H3333.2°51.1°
C6C5C4H34120.5°120.0°
C6C5C4H35120.5°120.0°
C6C5C4C361.3°175.0°
C6C5C4O2177.9°65.0°
C6C5C4H659.7°55.0°
C5C6C7H33177.9°172.0°
C6C5H34H35118.4°120.0°
C5C4C3O2118.2°120.0°
C5C4C3H6121.0°120.0°
C5C4O2H6117.1°119.9°
C5C4C3C243.0°175.0°
C5C4C3O182.4°55.0°
C4C5C6H738.1°51.2°
C4C5H34H35118.4°120.0°
C5C4O2H36180.0°60.0°
C5C4C3H37159.4°65.0°
C3C4O2H6119.9°120.0°
C4C3C2O1127.1°120.0°
C4C3C2H37116.4°120.0°
C4C3C2C1163.8°175.0°
C4C3O1H37117.6°120.0°
C4C3C2H443.0°65.0°
C4C3C2H575.5°55.0°
C3C4C5H34178.2°55.0°
C3C4C5H3559.2°65.0°
C3C4O2H3657.0°60.0°
C4C3O1H38180.0°60.0°
O2C4C3C275.2°55.0°
O2C4C3O1159.5°65.0°
O2C4C5H3457.4°175.1°
O2C4C5H3561.6°55.0°
O2C4C3H3741.3°175.0°
C3C2C1H4120.8°120.0°
C3C2C1H5120.8°120.0°
C2C3O1H37115.9°120.0°
C3C2C1H1180.0°180.0°
C3C2C1H260.0°60.0°
C3C2C1H360.0°60.0°
C3C2H4H5117.5°120.0°
C2C3C4H6164.0°65.0°
C2C3O1H3853.5°60.0°
C1C2C3O169.2°65.0°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°120.0°
C2C1H2H3120.0°120.0°
C1C2H4H5117.6°120.0°
C1C2C3H3747.3°55.0°
O1C3C2H4170.0°55.0°
O1C3C2H551.6°175.0°
O1C3C4H638.6°175.0°
H1C1H2H3120.0°120.0°
H1C1C2H459.2°60.0°
H1C1C2H559.3°60.0°
H2C1C2H4179.2°60.0°
H2C1C2H560.7°NaN°
H3C1C2H460.8°180.0°
H3C1C2H5179.2°60.0°
H4C2C3H3773.5°175.0°
H5C2C3H37168.1°65.0°
H6C4C5H3460.8°65.0°
H6C4C5H35179.8°175.0°
H6C4O2H3662.8°179.9°
H6C4C3H3779.6°55.0°
H7C6C7H332.1°8.1°
H7C6C5H3482.4°171.2°
H7C6C5H35158.6°68.8°
H8C12C13H1029.2°7.1°
H8C12C11H27141.6°66.3°
H8C12C11H2898.0°173.7°
H10C13C14H12151.7°66.3°
H10C13C14H1388.4°173.7°
H12C14C15H141.0°173.7°
H13C14C15H14118.9°66.3°
H14C15C16H1683.2°8.1°
H16C16C17H1871.3°66.3°
H16C16C17H19169.0°173.7°
H18C17C18H20149.3°173.7°
H19C17C18H2091.0°66.4°
H20C18C19H2612.1°8.1°
H22C21C20H24110.7°180.0°
H22C21C20H25129.5°60.0°
H23C21C20H247.1°60.0°
H23C21C20H25112.7°179.9°
H24C20C19H2663.8°173.7°
H25C20C19H26176.4°66.3°
H27C11C10H29110.0°171.1°
H28C11C10H29129.7°68.9°
H29C10C9H301.2°8.0°
H30C9C8H3152.5°68.8°
H30C9C8H32172.5°171.1°
H31C8C7H33153.2°171.1°
H32C8C7H3386.7°68.9°
H37C3O1H3862.4°180.0°

248636

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