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5KG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21O03sing1.43Å1.40Å
C21C20sing1.53Å1.51Å
C19C16sing1.53Å1.52Å
C19C18sing1.53Å1.52Å
C19C20sing1.53Å1.53Å
C15C16sing1.53Å1.51Å
C15C14sing1.51Å1.39Å
C17C18sing1.53Å1.53Å
C17C14sing1.51Å1.39Å
C14C07doub1.34Å1.40Å
C09C10doub1.38Å1.39ÅAromatic
C09C08sing1.39Å1.40ÅAromatic
C10C11sing1.39Å1.40ÅAromatic
C07C08sing1.48Å1.40Å
C07C06sing1.48Å1.39Å
C01C06doub1.39Å1.39ÅAromatic
C01C02sing1.38Å1.38ÅAromatic
C08C13doub1.39Å1.39ÅAromatic
C06C05sing1.39Å1.38ÅAromatic
C02C03doub1.39Å1.38ÅAromatic
C11O02sing1.36Å1.31Å
C11C12doub1.39Å1.37ÅAromatic
C05C04doub1.38Å1.38ÅAromatic
C03C04sing1.39Å1.39ÅAromatic
C03O01sing1.36Å1.30Å
C13C12sing1.38Å1.39ÅAromatic
C01H1sing1.08Å1.08Å
C02H2sing1.08Å1.08Å
O01H3sing0.97Å0.95Å
C04H4sing1.08Å1.08Å
C05H5sing1.08Å1.08Å
C09H7sing1.08Å1.08Å
C10H8sing1.08Å1.08Å
O02H9sing0.97Å0.95Å
C12H10sing1.08Å1.08Å
C13H11sing1.08Å1.08Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C19H21sing1.09Å1.10Å
C20H22sing1.09Å1.10Å
C20H23sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
C21H25sing1.09Å1.10Å
O03H26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O03C21C20109.2°109.5°
O03C21H24109.5°109.4°
O03C21H25109.5°109.5°
C21O03H26109.5°114.0°
C21C20C19114.4°109.4°
C21C20H22108.2°109.5°
C21C20H23108.2°109.5°
C20C21H24109.5°109.5°
C20C21H25109.5°109.5°
C16C19C18112.7°109.9°
C16C19C20110.1°109.4°
C19C16C15111.2°109.4°
C19C16H15109.1°109.5°
C19C16H16109.0°109.5°
C16C19H21108.7°109.4°
C18C19C20107.9°109.5°
C19C18C17116.7°109.3°
C19C18H19107.6°109.6°
C19C18H20107.6°109.5°
C18C19H21108.7°109.2°
C20C19H21108.6°109.4°
C19C20H22108.2°109.5°
C19C20H23108.2°109.4°
C16C15C14113.2°108.5°
C16C15H13108.5°109.6°
C16C15H14108.5°109.6°
C15C16H15109.0°109.5°
C15C16H16109.1°109.5°
C15C14C17118.4°118.3°
C15C14C07121.5°120.8°
C14C15H13108.5°109.6°
C14C15H14108.5°109.7°
C18C17C14114.5°108.5°
C18C17H17108.2°109.6°
C18C17H18108.2°109.6°
C17C18H19107.6°109.5°
C17C18H20107.6°109.5°
C17C14C07119.4°120.9°
C14C17H17108.2°109.6°
C14C17H18108.2°109.7°
C14C07C08121.5°120.0°
C14C07C06121.2°120.0°
C10C09C08121.4°120.0°
C09C10C11119.3°120.1°
C10C09H7119.3°120.0°
C09C10H8120.4°120.0°
C09C08C07123.3°120.1°
C09C08C13117.2°119.8°
C08C09H7119.3°120.0°
C10C11O02121.7°120.0°
C10C11C12120.4°120.1°
C11C10H8120.4°119.9°
C08C07C06117.1°120.0°
C07C08C13119.5°120.1°
C07C06C01117.3°120.1°
C07C06C05120.5°120.1°
C06C01C02119.9°119.9°
C01C06C05122.2°119.8°
C06C01H1120.0°120.0°
C01C02C03117.8°120.1°
C02C01H1120.1°120.0°
C01C02H2121.1°120.0°
C08C13C12122.0°119.9°
C08C13H11119.0°120.0°
C06C05C04118.2°119.9°
C06C05H5120.9°120.0°
C02C03C04122.7°120.2°
C02C03O01120.5°119.9°
C03C02H2121.1°120.0°
O02C11C12117.9°119.9°
C11O02H9109.5°114.0°
C11C12C13119.7°120.1°
C11C12H10120.2°120.0°
C05C04C03119.2°120.1°
C05C04H4120.4°119.9°
C04C05H5120.9°120.1°
C04C03O01116.7°119.9°
C03C04H4120.4°120.0°
C03O01H3109.5°114.0°
C13C12H10120.2°119.9°
C12C13H11119.0°120.1°
H13C15H14109.4°109.8°
H15C16H16109.4°109.5°
H17C17H18109.5°109.8°
H19C18H20109.5°109.5°
H22C20H23109.5°109.5°
H24C21H25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O03C21C20H24119.9°120.0°
O03C21C20H25120.0°120.0°
O03C21C20C19119.9°179.9°
O03C21C20H22119.3°60.0°
O03C21C20H230.8°60.0°
O03C21H24H25120.1°120.0°
C21C20C19C16119.8°175.0°
C21C20C19C18116.9°64.5°
C21C20C19H22120.7°120.0°
C21C20C19H23120.7°120.0°
C21C20C19H210.8°55.2°
C21C20H22H23117.8°120.0°
C20C21H24H25120.1°120.0°
C20C21O03H26180.0°180.0°
C16C19C18C20121.8°120.2°
C16C19C18H21120.6°120.0°
C16C19C20H21118.9°119.9°
C19C16C15H15120.3°120.0°
C19C16C15H16120.3°120.0°
C19C16C15C1454.0°54.7°
C16C19C18C1734.6°63.4°
C19C16C15H1366.5°174.3°
C19C16C15H14174.6°65.1°
C19C16H15H16119.2°120.0°
C16C19C18H1986.4°176.6°
C16C19C18H20155.7°56.6°
C16C19C20H221.0°64.9°
C16C19C20H23119.5°55.0°
C18C19C20H21117.7°119.6°
C18C19C16C1544.1°63.4°
C19C18C17H19121.0°120.1°
C19C18C17H20121.1°119.9°
C19C18C17C1432.4°54.6°
C18C19C16H15164.4°56.6°
C18C19C16H1676.2°176.6°
C19C18C17H17153.2°65.1°
C19C18C17H1888.4°174.3°
C19C18H19H20116.7°120.0°
C18C19C20H22122.4°55.6°
C18C19C20H233.8°175.6°
C20C19C16C15164.6°176.3°
C20C19C18C17156.4°176.4°
C20C19C16H1575.1°63.7°
C20C19C16H1644.3°56.3°
C20C19C18H1935.4°56.4°
C20C19C18H2082.5°63.6°
C19C20H22H23117.8°120.0°
C19C20C21H240.0°60.0°
C19C20C21H25120.1°60.1°
C16C15C14H13120.6°119.7°
C16C15C14H14120.6°119.7°
C16C15C14C1754.9°51.7°
C16C15C14C07115.6°128.7°
C16C15H13H14118.3°120.5°
C15C16H15H16119.2°120.0°
C15C16C19H2176.5°56.5°
C15C14C17C1842.8°51.7°
C15C14C17C07170.7°179.6°
C15C14C07C08162.5°180.0°
C15C14C07C0612.0°0.1°
C14C15H13H14118.3°120.5°
C14C15C16H15174.3°65.3°
C14C15C16H1666.2°174.6°
C15C14C17H17163.6°68.0°
C15C14C17H1877.9°171.4°
C18C17C14H17120.8°119.7°
C18C17C14H18120.7°119.7°
C18C17C14C07127.9°128.7°
C18C17H17H18117.7°120.4°
C17C18H19H20116.7°120.0°
C17C18C19H2185.9°56.7°
C17C14C07C0827.1°0.4°
C17C14C07C06158.4°179.7°
C17C14C15H1365.7°171.3°
C17C14C15H14175.5°68.1°
C14C17H17H18117.7°120.6°
C14C17C18H1988.6°174.7°
C14C17C18H20153.4°65.3°
C14C07C08C0935.7°64.7°
C14C07C08C06174.7°180.0°
C14C07C06C01113.1°115.0°
C14C07C08C13145.2°115.1°
C14C07C06C0568.0°65.0°
C07C14C15H13123.8°9.0°
C07C14C15H145.0°111.5°
C07C14C17H177.1°111.6°
C07C14C17H18111.4°9.0°
C10C09C08H7180.0°179.9°
C09C10C11H8180.0°179.9°
C10C09C08C07179.4°180.0°
C10C09C08C130.3°0.3°
C09C10C11O02179.9°180.0°
C09C10C11C121.7°0.0°
C08C09C10C110.9°0.0°
C09C08C07C13179.1°179.7°
C09C08C07C06139.0°115.3°
C09C08C13C120.6°0.5°
C08C09C10H8179.1°179.9°
C09C08C13H11179.4°179.7°
C10C11O02C12178.2°180.0°
C10C11C12C131.4°0.3°
C11C10C09H7179.1°179.9°
C10C11O02H9180.0°90.0°
C10C11C12H10178.6°180.0°
C08C07C06C0161.6°65.0°
C08C07C06C05117.3°115.1°
C07C08C13C12179.8°179.8°
C07C08C09H70.6°0.1°
C07C08C13H110.2°0.0°
C07C06C01C05178.9°179.9°
C07C06C01C02178.9°179.9°
C06C07C08C1340.1°65.0°
C07C06C05C04179.5°179.9°
C07C06C01H11.1°0.2°
C07C06C05H50.5°0.1°
C06C01C02H1180.0°179.8°
C06C01C02C030.5°0.0°
C01C06C05C040.7°0.0°
C06C01C02H2179.5°180.0°
C01C06C05H5179.3°180.0°
C02C01C06C050.1°0.0°
C01C02C03H2180.0°180.0°
C01C02C03C040.5°0.0°
C01C02C03O01179.8°180.0°
C08C13C12C110.2°0.5°
C08C13C12H11180.0°179.8°
C13C08C09H7179.7°179.8°
C08C13C12H10179.8°179.7°
C06C05C04H5180.0°180.0°
C06C05C04C030.6°0.0°
C05C06C01H1180.0°179.8°
C06C05C04H4179.4°180.0°
C02C03C04C050.1°0.0°
C02C03C04O01179.7°180.0°
C03C02C01H1179.5°179.8°
C02C03O01H3180.0°90.0°
C02C03C04H4179.9°180.0°
O02C11C12C13179.6°179.7°
O02C11C10H80.1°0.1°
O02C11C12H100.4°0.0°
C11C12C13H10180.0°179.7°
C12C11C10H8178.3°179.9°
C12C11O02H91.8°90.0°
C11C12C13H11179.8°179.7°
C05C04C03H4180.0°180.0°
C05C04C03O01179.6°180.0°
C04C03C02H2179.5°180.0°
C04C03O01H30.3°90.0°
C03C04C05H5179.3°180.0°
O01C03C02H20.2°0.0°
O01C03C04H40.4°0.0°
H1C01C02H20.6°0.2°
H4C04C05H50.6°0.0°
H7C09C10H80.9°0.0°
H10C12C13H110.2°0.0°
H13C15C16H1553.7°54.3°
H13C15C16H16173.2°65.7°
H14C15C16H1565.1°174.9°
H14C15C16H1654.4°54.9°
H15C16C19H2143.8°176.5°
H16C16C19H21163.2°63.5°
H17C17C18H1932.2°55.0°
H17C17C18H2085.8°175.0°
H18C17C18H19150.6°65.6°
H18C17C18H2032.7°54.4°
H19C18C19H21153.0°63.3°
H20C18C19H2135.1°176.6°
H21C19C20H22119.9°175.2°
H21C19C20H23121.6°64.8°
H22C20C21H24120.7°180.0°
H22C20C21H250.6°60.0°
H23C20C21H24120.7°60.0°
H23C20C21H25119.2°180.0°
H24C21O03H2660.0°60.1°
H25C21O03H2660.0°60.0°

225946

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