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A1MG3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O23C20doub1.21Å1.22Å
C20O22sing1.35Å1.45Å
C20C21sing1.51Å1.51Å
O22C19sing1.45Å1.43Å
C19H192sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19C15sing1.51Å1.52Å
C21O24sing1.43Å1.44Å
C21C25sing1.53Å1.53Å
C21C16sing1.51Å1.52Å
O24H24sing0.97Å0.95Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C25C26sing1.53Å1.52Å
C26H263sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C16C15doub1.37Å1.41Å
C16C17sing1.40Å1.40Å
C15C14sing1.41Å1.40Å
C17H17sing1.08Å1.08Å
C17C13doub1.38Å1.39Å
C13N12sing1.37Å1.33Å
C13C9sing1.48Å1.47Å
N12C14sing1.36Å1.34Å
N12C11sing1.47Å1.48Å
C14O18doub1.22Å1.25Å
C9C8doub1.41Å1.38ÅAromatic
C9N10sing1.32Å1.35ÅAromatic
C8C11sing1.51Å1.47Å
C8C7sing1.36Å1.40ÅAromatic
C11H112sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
N10C5doub1.33Å1.36ÅAromatic
C5C4sing1.41Å1.40ÅAromatic
C5C6sing1.42Å1.42ÅAromatic
C4H4sing1.08Å1.08Å
C4C3doub1.36Å1.39ÅAromatic
C3H3sing1.08Å1.08Å
C3C2sing1.40Å1.39ÅAromatic
C2O29sing1.36Å1.37Å
C2C1doub1.37Å1.40ÅAromatic
O29C30sing1.43Å1.43Å
C1H1sing1.08Å1.08Å
C1C6sing1.40Å1.41ÅAromatic
C6C7doub1.41Å1.42ÅAromatic
C7C27sing1.51Å1.52Å
C27C28sing1.53Å1.52Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C28H281sing1.09Å1.10Å
C28H283sing1.09Å1.10Å
C28H282sing1.09Å1.10Å
C30C31sing1.53Å1.53Å
C30H302sing1.09Å1.10Å
C30H301sing1.09Å1.10Å
C31C32sing1.53Å1.52Å
C31H312sing1.09Å1.10Å
C31H311sing1.09Å1.10Å
C32F33sing1.40Å1.37Å
C32H322sing1.09Å1.10Å
C32H321sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O23C20O22119.2°121.6°
O23C20C21121.9°121.7°
O22C20C21118.9°116.7°
C20O22C19120.0°114.7°
C20C21O24109.5°109.5°
C20C21C25109.9°109.6°
C20C21C16110.5°109.1°
O22C19H192108.6°109.3°
O22C19H191108.6°109.2°
O22C19C15112.9°110.6°
H192C19H191109.5°109.2°
H192C19C15108.6°109.2°
H191C19C15108.6°109.2°
C19C15C16122.2°122.4°
C19C15C14118.1°118.4°
O24C21C25109.2°109.5°
O24C21C16109.3°109.5°
C21O24H24109.5°114.0°
C25C21C16108.5°109.6°
C21C25H251108.2°109.5°
C21C25H252108.2°109.4°
C21C25C26114.5°109.5°
C21C16C15123.1°121.7°
C21C16C17118.2°118.7°
H251C25H252109.5°109.4°
H251C25C26108.2°109.5°
H252C25C26108.2°109.5°
C25C26H263109.5°109.4°
C25C26H262109.5°109.5°
C25C26H261109.5°109.4°
H263C26H262109.5°109.5°
H263C26H261109.5°109.5°
H262C26H261109.5°109.6°
C15C16C17118.7°119.6°
C16C15C14119.7°119.2°
C16C17H17121.0°119.9°
C16C17C13118.0°120.2°
C15C14N12119.6°120.4°
C15C14O18120.8°119.6°
H17C17C13121.0°119.9°
C17C13N12122.7°119.8°
C17C13C9129.3°130.3°
N12C13C9108.0°109.9°
C13N12C14121.4°120.8°
C13N12C11112.0°108.6°
C13C9C8107.1°108.1°
C13C9N10129.9°131.1°
C14N12C11126.6°130.6°
N12C14O18119.6°120.0°
N12C11C8102.2°106.5°
N12C11H112111.3°110.0°
N12C11H111111.3°110.0°
C8C9N10123.0°120.8°
C9C8C11110.6°106.9°
C9C8C7120.4°120.4°
C9N10C5118.4°121.5°
C11C8C7129.0°132.7°
C8C11H112111.2°110.1°
C8C11H111111.3°110.1°
C8C7C6117.2°118.2°
C8C7C27119.7°120.9°
H112C11H111109.5°110.1°
N10C5C4118.0°120.9°
N10C5C6121.6°120.1°
C4C5C6120.4°119.0°
C5C4H4119.8°120.1°
C5C4C3120.4°119.9°
C5C6C1118.2°119.7°
C5C6C7119.4°119.0°
H4C4C3119.8°120.1°
C4C3H3120.1°119.5°
C4C3C2119.8°121.0°
H3C3C2120.1°119.5°
C3C2O29119.7°119.6°
C3C2C1120.3°120.7°
O29C2C1120.0°119.6°
C2O29C30121.4°117.0°
C2C1H1119.6°120.2°
C2C1C6120.8°119.6°
O29C30C31109.6°109.5°
O29C30H302109.4°109.4°
O29C30H301109.5°109.5°
H1C1C6119.6°120.2°
C1C6C7122.4°121.3°
C6C7C27123.1°120.9°
C7C27C28111.1°109.5°
C7C27H271109.0°109.4°
C7C27H272109.1°109.4°
C28C27H271109.1°109.5°
C28C27H272109.1°109.5°
C27C28H281109.5°109.4°
C27C28H283109.5°109.5°
C27C28H282109.5°109.4°
H271C27H272109.5°109.5°
H281C28H283109.5°109.5°
H281C28H282109.5°109.5°
H283C28H282109.4°109.5°
C31C30H302109.4°109.5°
C31C30H301109.5°109.5°
C30C31C32111.5°109.5°
C30C31H312109.0°109.5°
C30C31H311109.0°109.4°
H302C30H301109.4°109.4°
C32C31H312109.0°109.5°
C32C31H311108.9°109.4°
C31C32F33109.8°109.4°
C31C32H322109.4°109.5°
C31C32H321109.4°109.5°
H312C31H311109.5°109.5°
F33C32H322109.4°109.5°
F33C32H321109.4°109.4°
H322C32H321109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O23C20O22C21179.9°179.7°
O23C20O22C19135.4°119.2°
O23C20C21O2427.9°19.2°
O23C20C21C2592.0°101.0°
O23C20C21C16148.3°139.0°
C20O22C19H19290.1°75.3°
C20O22C19H191150.9°165.2°
C20O22C19C1530.4°45.0°
O22C20C21O24152.2°161.1°
O22C20C21C2587.9°78.7°
O22C20C21C1631.8°41.3°
C21C20O22C1944.7°61.1°
C20C21O24C25120.4°120.2°
C20C21O24C16121.1°119.6°
C20C21C25C16120.9°119.7°
C20C21O24H2411.7°60.0°
C20C21C25H251176.0°180.0°
C20C21C25H25265.5°60.1°
C20C21C25C2655.3°60.0°
C20C21C16C1510.9°11.4°
C20C21C16C17169.1°168.8°
O22C19H192H191118.5°119.5°
O22C19H192C15123.1°121.2°
O22C19H191C15123.1°121.1°
O22C19C15C168.8°15.7°
O22C19C15C14171.5°164.3°
H192C19H191C15118.4°119.4°
H192C19C15C16111.7°104.6°
H192C19C15C1468.0°75.4°
H191C19C15C16129.3°136.0°
H191C19C15C1451.0°44.0°
C19C15C16C210.2°1.0°
C19C15C16C14179.7°180.0°
C19C15C16C17179.9°179.2°
C19C15C14N12179.9°179.1°
C19C15C14O180.2°1.0°
O24C21C25C16119.0°120.1°
O24C21C25H25155.9°59.9°
O24C21C25H252174.4°179.8°
O24C21C25C2664.9°60.2°
O24C21C16C15131.4°131.3°
O24C21C16C1748.6°48.9°
C25C21O24H24108.7°60.1°
C21C25H251H252117.7°119.9°
C21C25H251C26124.6°120.1°
C21C25H252C26124.6°120.0°
C21C25C26H263180.0°180.0°
C21C25C26H26260.0°60.0°
C21C25C26H26160.0°60.1°
C25C21C16C15109.6°108.6°
C25C21C16C1770.3°71.3°
C16C21O24H24132.8°179.6°
C16C21C25H25163.1°60.3°
C16C21C25H25255.4°59.6°
C16C21C25C26176.1°179.7°
C21C16C15C17179.9°179.8°
C21C16C15C14179.9°179.0°
C21C16C17H170.1°0.5°
C21C16C17C13179.9°179.5°
H251C25H252C26117.7°120.0°
H251C25C26H26359.3°60.0°
H251C25C26H262179.3°179.9°
H251C25C26H26160.7°60.0°
H252C25C26H26359.3°60.0°
H252C25C26H26260.7°60.0°
H252C25C26H261179.3°180.0°
C25C26H263H262120.0°120.0°
C25C26H263H261120.0°119.9°
C25C26H262H261120.0°120.0°
H263C26H262H261120.0°120.0°
C15C16C17H17180.0°179.6°
C15C16C17C130.0°0.3°
C16C15C14N120.2°0.9°
C16C15C14O18179.9°179.0°
C17C16C15C140.1°0.8°
C16C17H17C13180.0°179.9°
C16C17C13N120.1°0.1°
C16C17C13C9180.0°179.9°
C15C14N12C130.1°0.5°
C15C14N12O18179.9°179.9°
C15C14N12C11179.9°179.6°
H17C17C13N12179.9°179.9°
H17C17C13C90.0°0.0°
C17C13N12C9179.9°180.0°
C17C13N12C140.1°0.0°
C17C13N12C11180.0°179.9°
C17C13C9C8180.0°179.9°
C17C13C9N100.1°0.0°
C13N12C14C11179.9°179.9°
C13N12C14O18180.0°179.4°
N12C13C9C80.0°0.1°
N12C13C9N10180.0°180.0°
C13N12C11C80.1°0.0°
C13N12C11H112118.9°119.3°
C13N12C11H111118.8°119.2°
C9C13N12C14180.0°180.0°
C9C13N12C110.0°0.1°
C13C9C8N10179.9°179.9°
C13C9C8C110.0°0.1°
C13C9C8C7179.9°179.9°
C13C9N10C5180.0°179.9°
C14N12C11C8180.0°180.0°
C14N12C11H11261.2°60.8°
C14N12C11H11161.2°60.7°
C11N12C14O180.1°0.5°
N12C11C8C90.0°0.0°
N12C11C8H112118.8°119.3°
N12C11C8H111118.8°119.2°
N12C11C8C7179.9°180.0°
N12C11H112H111123.4°121.4°
C9C8C11C7180.0°180.0°
C9C8C11H112118.9°119.2°
C9C8C11H111118.8°119.2°
C8C9N10C50.1°0.0°
C9C8C7C60.1°0.1°
C9C8C7C27180.0°180.0°
N10C9C8C11179.9°180.0°
N10C9C8C70.1°0.0°
C9N10C5C4180.0°179.9°
C9N10C5C60.1°0.0°
C8C11H112H111123.4°121.5°
C11C8C7C6179.9°179.9°
C11C8C7C270.1°0.0°
C7C8C11H11261.1°60.8°
C7C8C11H11161.3°60.7°
C8C7C6C50.1°0.1°
C8C7C6C1179.9°179.9°
C8C7C6C27179.8°179.9°
C8C7C27C28105.2°90.0°
C8C7C27H271134.6°150.0°
C8C7C27H27215.0°30.0°
N10C5C4C6179.9°180.0°
N10C5C4H40.0°0.1°
N10C5C4C3180.0°179.9°
N10C5C6C1179.9°180.0°
N10C5C6C70.1°0.1°
C5C4H4C3180.0°180.0°
C5C4C3H3179.9°180.0°
C5C4C3C20.1°0.1°
C4C5C6C10.0°0.0°
C4C5C6C7180.0°180.0°
C6C5C4H4179.9°179.9°
C6C5C4C30.1°0.0°
C5C6C1C20.0°0.0°
C5C6C1H1180.0°180.0°
C5C6C1C7179.9°180.0°
C5C6C7C27180.0°179.9°
H4C4C3H30.1°0.0°
H4C4C3C2179.9°179.9°
C4C3H3C2180.0°179.9°
C4C3C2O29180.0°180.0°
C4C3C2C10.1°0.1°
H3C3C2O290.0°0.1°
H3C3C2C1179.9°180.0°
C3C2O29C1179.9°179.9°
C3C2O29C30118.0°0.1°
C3C2C1H1180.0°180.0°
C3C2C1C60.0°0.0°
O29C2C1H10.1°0.1°
O29C2C1C6179.9°180.0°
C2O29C30C31112.0°179.9°
C2O29C30H3028.0°60.0°
C2O29C30H301128.0°59.9°
C1C2O29C3062.1°180.0°
C2C1H1C6180.0°180.0°
C2C1C6C7180.0°180.0°
O29C30C31H302120.0°120.0°
O29C30C31H301120.0°120.0°
O29C30H302H301120.0°120.0°
O29C30C31C32145.8°180.0°
O29C30C31H31225.5°60.0°
O29C30C31H31193.9°60.0°
H1C1C6C70.1°0.0°
C1C6C7C270.1°0.0°
C6C7C27C2874.6°89.9°
C6C7C27H27145.6°30.1°
C6C7C27H272165.1°150.1°
C7C27C28H271120.2°120.0°
C7C27C28H272120.3°120.0°
C7C27H271H272119.3°119.9°
C7C27C28H281180.0°60.0°
C7C27C28H28360.0°60.0°
C7C27C28H28260.0°180.0°
C28C27H271H272119.2°120.0°
C27C28H281H283120.0°120.0°
C27C28H281H282120.0°120.0°
C27C28H283H282120.0°120.0°
H271C27C28H28159.8°180.0°
H271C27C28H283179.8°60.0°
H271C27C28H28260.2°60.0°
H272C27C28H28159.7°60.0°
H272C27C28H28360.3°180.0°
H272C27C28H282179.7°60.0°
H281C28H283H282120.0°120.0°
C31C30H302H301120.0°120.0°
C30C31C32H312120.3°120.0°
C30C31C32H311120.3°119.9°
C30C31H312H311119.1°120.0°
C30C31C32F33157.9°180.0°
C30C31C32H32237.9°60.0°
C30C31C32H32182.0°60.1°
H302C30C31C3294.2°60.0°
H302C30C31H312145.5°180.0°
H302C30C31H31126.1°60.0°
H301C30C31C3225.8°60.0°
H301C30C31H31294.5°60.0°
H301C30C31H311146.0°180.0°
C32C31H312H311119.1°120.0°
C31C32F33H322120.0°120.0°
C31C32F33H321120.1°119.9°
C31C32H322H321119.9°120.0°
H312C31C32F3381.8°60.0°
H312C31C32H322158.2°180.0°
H312C31C32H32138.3°59.9°
H311C31C32F3337.6°60.0°
H311C31C32H32282.4°60.0°
H311C31C32H321157.7°180.0°
F33C32H322H321119.8°120.0°

260896

PDB entries from 2026-10-14

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