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AGA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1sing1.43Å1.42Å
O1HO1sing0.97Å0.95Å
C1C2sing1.53Å1.57Å
C1H11sing1.09Å1.12Å
C1H12sing1.09Å1.12Å
C2O2sing1.43Å1.41Å
C2C3sing1.53Å1.55Å
C2H2sing1.09Å1.11Å
O2HO2sing0.97Å0.95Å
C3O5sing1.43Å1.46Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.11Å
P1O3sing1.54Å1.53Å
P1O4doub1.55Å1.56Å
P1O5sing1.61Å1.56Å
P1O6sing1.61Å1.60Å
O6C4sing1.43Å1.43Å
C4C5sing1.53Å1.50Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.12Å
C5C6sing1.53Å1.51Å
C5O9sing1.45Å1.46Å
C5H5sing1.09Å1.11Å
C6O7sing1.45Å1.44Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.12Å
O7C7sing1.34Å1.35Å
C7O8doub1.21Å1.22Å
C7C8sing1.51Å1.56Å
C8C9sing1.53Å1.54Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.12Å
C9C10sing1.53Å1.52Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.11Å
C10C11sing1.53Å1.52Å
C10H101sing1.09Å1.12Å
C10H102sing1.09Å1.11Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.11Å
C11H113sing1.09Å1.12Å
O9C12sing1.34Å1.36Å
C12O10doub1.21Å1.22Å
C12C13sing1.51Å1.52Å
C13C14sing1.53Å1.53Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.11Å
C14C15sing1.53Å1.53Å
C14H141sing1.09Å1.12Å
C14H142sing1.09Å1.11Å
C15C16sing1.53Å1.52Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.12Å
C16C17sing1.53Å1.55Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.11Å
C17C18sing1.53Å1.54Å
C17H171sing1.09Å1.11Å
C17H172sing1.09Å1.12Å
C18C19sing1.53Å1.54Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.11Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.12Å
C19H193sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1O1HO1111.2°114.0°
O1C1C2111.3°109.5°
O1C1H11111.5°109.5°
O1C1H12111.5°109.5°
C2C1H11111.6°109.5°
C2C1H12111.5°109.5°
C1C2O2111.0°109.4°
C1C2C3112.1°109.5°
C1C2H2106.3°109.4°
H11C1H1298.8°109.4°
O2C2C3108.5°109.5°
O2C2H2110.0°109.5°
C2O2HO2111.0°114.1°
C3C2H2108.9°109.5°
C2C3O5116.4°109.5°
C2C3H31109.7°109.4°
C2C3H32109.7°109.5°
O5C3H31109.7°109.5°
O5C3H32109.7°109.5°
C3O5P1122.9°123.0°
H31C3H32100.5°109.5°
O3P1O4113.6°109.5°
O3P1O5111.6°109.5°
O3P1O6112.3°109.5°
O4P1O5107.9°109.5°
O4P1O6105.8°109.4°
O5P1O6105.0°109.4°
P1O6C4120.0°123.0°
O6C4C5109.3°109.4°
O6C4H41112.3°109.4°
O6C4H42112.3°109.5°
C5C4H41112.3°109.5°
C5C4H42112.3°109.5°
C4C5C6115.8°109.5°
C4C5O9110.6°109.5°
C4C5H5105.5°109.4°
H41C4H4298.1°109.5°
C6C5O9113.1°109.5°
C6C5H5102.4°109.5°
C5C6O7107.6°109.4°
C5C6H61112.9°109.5°
C5C6H62112.9°109.5°
O9C5H5108.6°109.4°
C5O9C12122.9°117.0°
O7C6H61112.9°109.5°
O7C6H62112.9°109.5°
C6O7C7121.2°116.9°
H61C6H6297.5°109.5°
O7C7O8125.6°120.1°
O7C7C8110.5°120.0°
O8C7C8123.9°120.0°
C7C8C9131.4°109.5°
C7C8H81104.6°109.5°
C7C8H82104.7°109.4°
C9C8H81104.7°109.5°
C9C8H82104.6°109.5°
C8C9C10113.6°109.5°
C8C9H91110.7°109.5°
C8C9H92110.7°109.4°
H81C8H82104.3°109.4°
C10C9H91110.7°109.5°
C10C9H92110.7°109.4°
C9C10C11113.6°109.5°
C9C10H101110.7°109.5°
C9C10H102110.7°109.4°
H91C9H9299.6°109.5°
C11C10H101110.7°109.5°
C11C10H102110.7°109.4°
C10C11H111113.7°109.5°
C10C11H112110.7°109.5°
C10C11H113110.7°109.5°
H101C10H10299.6°109.5°
H111C11H112110.7°109.4°
H111C11H113110.6°109.5°
H112C11H11399.6°109.4°
O9C12O10125.2°120.0°
O9C12C13113.0°120.0°
O10C12C13121.2°120.0°
C12C13C14133.4°109.5°
C12C13H131103.9°109.5°
C12C13H132104.0°109.5°
C14C13H131104.0°109.4°
C14C13H132103.9°109.5°
C13C14C15109.9°109.5°
C13C14H141112.0°109.5°
C13C14H142112.1°109.5°
H131C13H132104.8°109.4°
C15C14H141112.1°109.5°
C15C14H142112.0°109.4°
C14C15C16114.6°109.5°
C14C15H151110.4°109.5°
C14C15H152110.4°109.4°
H141C14H14298.4°109.5°
C16C15H151110.4°109.5°
C16C15H152110.3°109.5°
C15C16C17111.6°109.5°
C15C16H161111.4°109.4°
C15C16H162111.4°109.4°
H151C15H15299.9°109.4°
C17C16H161111.4°109.5°
C17C16H162111.4°109.5°
C16C17C18116.8°109.5°
C16C17H171109.6°109.4°
C16C17H172109.5°109.5°
H161C16H16299.0°109.5°
C18C17H171109.6°109.4°
C18C17H172109.6°109.4°
C17C18C19110.6°109.5°
C17C18H181111.8°109.5°
C17C18H182111.8°109.5°
H171C17H172100.6°109.5°
C19C18H181111.8°109.5°
C19C18H182111.8°109.5°
C18C19H191110.7°109.5°
C18C19H192111.8°109.5°
C18C19H193111.8°109.4°
H181C18H18298.6°109.4°
H191C19H192111.8°109.5°
H191C19H193111.7°109.5°
H192C19H19398.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2H11125.3°120.1°
O1C1C2H12125.2°120.0°
O1C1H11H12117.4°120.0°
O1C1C2O292.1°65.0°
O1C1C2C3146.4°175.1°
O1C1C2H227.5°55.0°
HO1O1C1C2180.0°179.9°
HO1O1C1H1154.7°59.9°
HO1O1C1H1254.7°60.1°
C2C1H11H12117.5°120.0°
C1C2O2C3123.5°120.0°
C1C2O2H2117.4°120.0°
C1C2C3H2117.4°120.0°
C1C2O2HO2180.0°60.0°
C1C2C3O553.4°175.0°
C1C2C3H3171.9°55.0°
C1C2C3H32178.7°65.0°
H11C1C2O2142.6°174.9°
H11C1C2C321.1°55.0°
H11C1C2H297.8°65.0°
H12C1C2O233.1°55.0°
H12C1C2C388.4°65.0°
H12C1C2H2152.7°175.0°
O2C2C3H2119.8°120.1°
O2C2C3O5176.2°65.1°
O2C2C3H3151.0°175.0°
O2C2C3H3258.5°55.0°
C3C2O2HO256.5°59.9°
C2C3O5H31125.2°119.9°
C2C3O5H32125.3°120.1°
C2C3H31H32115.5°120.0°
C2C3O5P1158.0°180.0°
H2C2O2HO262.6°180.0°
H2C2C3O564.0°55.0°
H2C2C3H31170.8°65.0°
H2C2C3H3261.3°175.0°
O5C3H31H32115.5°120.0°
C3O5P1O390.2°65.0°
C3O5P1O435.3°55.0°
C3O5P1O6147.8°175.0°
H31C3O5P132.8°60.0°
H32C3O5P176.7°60.0°
O3P1O4O5124.3°120.0°
O3P1O4O6123.7°120.0°
O3P1O5O6122.0°120.0°
O3P1O6C4179.8°65.0°
O4P1O5O6112.5°120.0°
O4P1O6C455.3°55.0°
O5P1O6C458.7°175.0°
P1O6C4C5177.6°180.0°
P1O6C4H4152.3°60.0°
P1O6C4H4257.1°60.0°
O6C4C5H41125.3°120.0°
O6C4C5H42125.3°120.0°
O6C4H41H42118.2°119.9°
O6C4C5C6159.7°55.0°
O6C4C5O970.0°65.0°
O6C4C5H547.3°175.0°
C5C4H41H42118.2°120.1°
C4C5C6O9129.1°120.0°
C4C5C6H5114.2°120.0°
C4C5O9H5115.3°119.9°
C4C5C6O7179.6°55.0°
C4C5C6H6155.1°175.0°
C4C5C6H6254.3°65.0°
C4C5O9C12136.6°149.9°
H41C4C5C634.4°175.0°
H41C4C5O9164.7°55.0°
H41C4C5H578.0°65.0°
H42C4C5C675.0°65.0°
H42C4C5O955.3°175.0°
H42C4C5H5172.6°55.1°
C6C5O9H5113.0°120.0°
C5C6O7H61125.3°120.0°
C5C6O7H62125.3°120.0°
C5C6H61H62118.8°120.0°
C5C6O7C7102.6°180.0°
C6C5O9C1291.7°90.0°
O9C5C6O750.5°65.0°
O9C5C6H61175.8°55.0°
O9C5C6H6274.8°175.0°
C5O9C12O102.1°0.0°
C5O9C12C13169.3°180.0°
H5C5C6O766.2°175.0°
H5C5C6H6159.1°65.0°
H5C5C6H62168.5°55.0°
H5C5O9C1221.3°30.0°
O7C6H61H62118.8°120.0°
C6O7C7O834.3°0.0°
C6O7C7C8145.9°180.0°
H61C6O7C722.7°60.0°
H62C6O7C7132.1°60.0°
O7C7O8C8179.8°180.0°
O7C7C8C9129.2°180.0°
O7C7C8H81105.5°60.0°
O7C7C8H823.9°60.0°
O8C7C8C950.6°0.0°
O8C7C8H8174.7°120.1°
O8C7C8H82175.9°120.0°
C7C8C9H81125.3°120.1°
C7C8C9H82125.3°120.0°
C7C8H81H82109.6°119.9°
C7C8C9C10128.4°180.0°
C7C8C9H913.1°59.9°
C7C8C9H92106.4°60.0°
C9C8H81H82109.6°120.0°
C8C9C10H91125.2°120.0°
C8C9C10H92125.3°119.9°
C8C9H91H92116.6°119.9°
C8C9C10C11128.6°180.0°
C8C9C10H1013.4°59.9°
C8C9C10H102106.1°60.1°
H81C8C9C10106.3°59.9°
H81C8C9H91128.4°180.0°
H81C8C9H9218.9°60.0°
H82C8C9C103.0°60.0°
H82C8C9H91122.2°60.0°
H82C8C9H92128.3°180.0°
C10C9H91H92116.6°120.0°
C9C10C11H101125.2°120.1°
C9C10C11H102125.3°119.9°
C9C10H101H102116.6°120.0°
C9C10C11H111180.0°59.9°
C9C10C11H11254.7°60.0°
C9C10C11H11354.8°180.0°
H91C9C10C11106.1°60.0°
H91C9C10H101128.6°180.0°
H91C9C10H10219.1°60.0°
H92C9C10C113.4°60.1°
H92C9C10H101121.9°60.0°
H92C9C10H102128.6°NaN°
C11C10H101H102116.5°120.0°
C10C11H111H112125.3°120.0°
C10C11H111H113125.2°120.1°
C10C11H112H113116.5°120.0°
H101C10C11H11154.7°180.0°
H101C10C11H112180.0°60.0°
H101C10C11H11370.5°60.0°
H102C10C11H11154.7°60.0°
H102C10C11H11270.6°180.0°
H102C10C11H113179.9°60.0°
H111C11H112H113116.5°120.0°
O9C12O10C13170.8°180.0°
O9C12C13C14169.8°180.0°
O9C12C13H13144.5°60.0°
O9C12C13H13265.0°60.0°
O10C12C13C142.1°0.0°
O10C12C13H131127.3°120.0°
O10C12C13H132123.2°120.0°
C12C13C14H131125.3°120.0°
C12C13C14H132125.3°120.1°
C12C13H131H132108.9°120.0°
C12C13C14C1562.9°180.0°
C12C13C14H141171.9°60.0°
C12C13C14H14262.4°60.0°
C14C13H131H132108.8°120.0°
C13C14C15H141125.2°120.0°
C13C14C15H142125.3°120.0°
C13C14H141H142118.0°120.0°
C13C14C15C16168.9°180.0°
C13C14C15H15143.6°60.0°
C13C14C15H15265.8°60.0°
H131C13C14C1562.4°60.0°
H131C13C14H14162.9°180.0°
H131C13C14H142172.4°60.0°
H132C13C14C15171.8°60.0°
H132C13C14H14146.6°60.0°
H132C13C14H14262.9°179.9°
C15C14H141H142118.0°119.9°
C14C15C16H151125.3°120.1°
C14C15C16H152125.3°120.0°
C14C15H151H152116.2°120.0°
C14C15C16C17179.8°180.0°
C14C15C16H16155.0°60.0°
C14C15C16H16254.5°60.0°
H141C14C15C1665.9°60.0°
H141C14C15H151168.9°180.0°
H141C14C15H15259.4°60.0°
H142C14C15C1643.6°60.0°
H142C14C15H15181.6°60.0°
H142C14C15H152168.9°180.0°
C16C15H151H152116.2°120.0°
C15C16C17H161125.2°120.0°
C15C16C17H162125.3°120.0°
C15C16H161H162117.3°119.9°
C15C16C17C18179.8°180.0°
C15C16C17H17154.9°60.1°
C15C16C17H17254.6°60.0°
H151C15C16C1754.5°60.0°
H151C15C16H161179.7°180.0°
H151C15C16H16270.8°60.1°
H152C15C16C1754.9°60.0°
H152C15C16H16170.3°60.0°
H152C15C16H162179.8°179.9°
C17C16H161H162117.3°120.1°
C16C17C18H171125.3°119.9°
C16C17C18H172125.2°120.0°
C16C17H171H172115.3°120.1°
C16C17C18C19179.9°180.0°
C16C17C18H18154.8°60.0°
C16C17C18H18254.6°59.9°
H161C16C17C1854.6°60.0°
H161C16C17H171179.9°180.0°
H161C16C17H17270.6°59.9°
H162C16C17C1854.9°60.0°
H162C16C17H17170.4°59.9°
H162C16C17H172179.8°180.0°
C18C17H171H172115.4°120.0°
C17C18C19H181125.3°120.0°
C17C18C19H182125.3°120.0°
C17C18H181H182117.7°120.0°
C17C18C19H191180.0°180.0°
C17C18C19H19254.7°60.0°
C17C18C19H19354.7°60.0°
H171C17C18C1954.6°60.0°
H171C17C18H181179.8°179.9°
H171C17C18H18270.7°60.0°
H172C17C18C1954.9°60.0°
H172C17C18H18170.4°60.0°
H172C17C18H182179.8°180.0°
C19C18H181H182117.7°120.0°
C18C19H191H192125.4°120.0°
C18C19H191H193125.3°119.9°
C18C19H192H193117.7°119.9°
H181C18C19H19154.7°59.9°
H181C18C19H192179.9°180.0°
H181C18C19H19370.6°60.0°
H182C18C19H19154.8°60.0°
H182C18C19H19270.6°60.0°
H182C18C19H193180.0°180.0°
H191C19H192H193117.6°120.0°

222415

PDB entries from 2024-07-10

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