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2HX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N25C5sing1.47Å1.47Å
O33C6sing1.43Å1.45Å
C6C5sing1.53Å1.58Å
C6C1sing1.53Å1.56Å
C5C4sing1.53Å1.54Å
C28C29doub1.38Å1.38ÅAromatic
C28C27sing1.38Å1.43ÅAromatic
C14C1sing1.53Å1.53Å
C29C30sing1.38Å1.38ÅAromatic
C4N3sing1.47Å1.47Å
C1C2sing1.53Å1.53Å
C27C26doub1.38Å1.43ÅAromatic
C2N3sing1.47Å1.48Å
N3C7sing1.39Å1.39Å
C30F31sing1.35Å1.32Å
C30C23doub1.40Å1.42ÅAromatic
C26C23sing1.40Å1.45ÅAromatic
C26F32sing1.35Å1.36Å
C8C7doub1.39Å1.40ÅAromatic
C8C9sing1.38Å1.39ÅAromatic
C23C21sing1.48Å1.47Å
C7C12sing1.40Å1.39ÅAromatic
C9N10doub1.32Å1.34ÅAromatic
C12N13sing1.40Å1.40Å
C12C11doub1.39Å1.40ÅAromatic
C21N22doub1.32Å1.37ÅAromatic
C21C20sing1.40Å1.39ÅAromatic
N22C16sing1.33Å1.37ÅAromatic
N13C15sing1.35Å1.38Å
N10C11sing1.32Å1.35ÅAromatic
F24C20sing1.35Å1.36Å
C20C19doub1.39Å1.42ÅAromatic
C16C15sing1.48Å1.49Å
C16C18doub1.39Å1.43ÅAromatic
C15O17doub1.22Å1.22Å
C19C18sing1.39Å1.40ÅAromatic
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C11H10sing1.08Å1.08Å
N13H11sing0.97Å1.00Å
C14H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C18H15sing1.08Å1.08Å
C19H16sing1.08Å1.08Å
N25H17sing1.01Å1.00Å
N25H18sing1.01Å1.00Å
C27H20sing1.08Å1.08Å
C28H21sing1.08Å1.08Å
C29H22sing1.08Å1.08Å
O33H23sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N25C5C6108.8°109.5°
N25C5C4112.8°109.5°
N25C5H6109.0°109.5°
C5N25H17109.5°110.9°
C5N25H18109.5°111.0°
O33C6C5106.8°109.5°
O33C6C1111.4°109.6°
O33C6H7110.5°109.6°
C6O33H23109.5°114.0°
C5C6C1110.5°109.1°
C6C5C4110.3°109.3°
C6C5H6107.7°109.5°
C5C6H7108.6°109.5°
C6C1C14113.2°109.5°
C6C1C2109.7°109.3°
C6C1H1108.1°109.5°
C1C6H7109.0°109.5°
C5C4N3108.2°109.5°
C5C4H4109.8°109.5°
C5C4H5109.8°109.4°
C4C5H6108.2°109.5°
C29C28C27109.1°120.3°
C28C29C30135.6°120.2°
C29C28H21125.5°119.8°
C28C29H22112.2°119.9°
C28C27C26121.0°120.1°
C28C27H20119.5°119.9°
C27C28H21125.5°119.9°
C14C1C2108.8°109.5°
C14C1H1108.4°109.5°
C1C14H12109.5°109.5°
C1C14H13109.5°109.5°
C1C14H14109.5°109.5°
C29C30F31123.7°120.1°
C29C30C23113.8°119.8°
C30C29H22112.2°119.9°
C4N3C2117.7°111.2°
C4N3C7118.3°111.0°
N3C4H4109.8°109.5°
N3C4H5109.8°109.5°
C1C2N3112.3°109.5°
C2C1H1108.4°109.5°
C1C2H2108.7°109.5°
C1C2H3108.8°109.5°
C27C26C23123.6°119.8°
C27C26F32119.9°120.1°
C26C27H20119.5°119.9°
C2N3C7116.3°111.0°
N3C2H2108.8°109.4°
N3C2H3108.8°109.5°
N3C7C8119.3°120.9°
N3C7C12122.0°120.9°
F31C30C23122.2°120.1°
C30C23C26116.4°119.7°
C30C23C21121.8°120.2°
C23C26F32116.4°120.1°
C26C23C21121.8°120.1°
C7C8C9119.5°119.1°
C8C7C12118.6°118.2°
C7C8H8120.2°120.4°
C8C9N10122.4°121.0°
C9C8H8120.3°120.5°
C8C9H9118.8°119.5°
C23C21N22117.2°119.7°
C23C21C20121.7°119.7°
C7C12N13118.1°120.5°
C7C12C11118.0°119.0°
C9N10C11117.9°122.0°
N10C9H9118.8°119.5°
N13C12C11123.8°120.5°
C12N13C15125.6°120.0°
C12N13H11117.2°120.0°
C12C11N10123.5°120.7°
C12C11H10118.3°119.7°
N22C21C20121.1°120.6°
C21N22C16117.6°121.5°
C21C20F24119.3°120.4°
C21C20C19120.4°119.2°
N22C16C15113.2°119.6°
N22C16C18125.6°120.7°
N13C15C16115.6°120.0°
N13C15O17126.9°120.0°
C15N13H11117.2°120.0°
N10C11H10118.2°119.7°
F24C20C19120.3°120.4°
C20C19C18120.0°118.5°
C20C19H16120.0°120.7°
C15C16C18121.2°119.6°
C16C15O17117.5°120.0°
C16C18C19115.3°119.3°
C16C18H15122.4°120.3°
C19C18H15122.3°120.3°
C18C19H16120.0°120.8°
H2C2H3109.5°109.4°
H4C4H5109.5°109.4°
H12C14H13109.4°109.5°
H12C14H14109.5°109.5°
H13C14H14109.5°109.4°
H17N25H18109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N25C5C6O3356.4°62.5°
N25C5C6C4124.2°120.0°
N25C5C6H6118.0°120.0°
N25C5C6C1177.7°177.6°
N25C5C4H6120.6°120.1°
N25C5C4N3178.2°179.1°
N25C5C4H458.4°60.8°
N25C5C4H562.0°59.1°
N25C5C6H762.8°57.7°
C5N25H17H18120.0°123.9°
O33C6C5C1121.3°120.0°
O33C6C5H7119.2°120.2°
O33C6C1H7122.1°120.2°
O33C6C5C4179.4°177.6°
O33C6C1C1465.9°62.5°
O33C6C1C2172.3°177.5°
O33C6C1H154.2°57.6°
O33C6C5H661.7°57.6°
C5C6C1H7119.3°119.8°
C6C5C4H6117.5°120.0°
C5C6C1C14175.5°177.6°
C6C5C4N356.3°59.2°
C5C6C1C253.7°57.6°
C5C6C1H164.3°62.4°
C6C5C4H463.5°179.2°
C6C5C4H5176.1°60.9°
C6C5N25H17180.0°179.9°
C6C5N25H1860.0°55.9°
C5C6O33H23180.0°60.0°
C1C6C5C458.1°57.6°
C6C1C14C2122.3°119.9°
C6C1C14H1120.0°120.1°
C6C1C2H1117.9°119.9°
C6C1C2N350.2°59.2°
C6C1C2H2170.6°179.2°
C6C1C2H370.2°60.8°
C1C6C5H659.7°62.4°
C6C1C14H12180.0°179.9°
C6C1C14H1360.0°60.1°
C6C1C14H1460.0°59.8°
C1C6O33H2359.2°179.7°
C5C4N3H4119.8°120.0°
C5C4N3H5119.8°120.0°
C5C4N3C256.0°61.7°
C5C4N3C7155.7°174.2°
C5C4H4H5120.6°119.9°
C4C5C6H761.4°62.3°
C4C5N25H1757.3°60.0°
C4C5N25H1862.7°63.9°
C29C28C27H21180.0°179.7°
C28C29C30H22180.0°179.7°
C29C28C27C264.1°0.0°
C28C29C30F31177.3°180.0°
C28C29C30C239.0°0.6°
C29C28C27H20175.9°180.0°
C27C28C29C308.9°0.3°
C28C27C26H20180.0°180.0°
C28C27C26C231.5°0.0°
C28C27C26F32179.8°179.9°
C27C28C29H22171.1°180.0°
C14C1C2H1117.8°120.0°
C14C1C2N3174.6°179.2°
C14C1C2H265.0°60.8°
C14C1C2H354.1°59.2°
C14C1C6H756.2°57.7°
C1C14H12H13120.0°120.0°
C1C14H12H14120.0°120.0°
C1C14H13H14120.0°119.9°
C29C30F31C23173.2°179.4°
C29C30C23C263.9°0.6°
C29C30C23C21178.0°179.7°
C30C29C28H21171.1°180.0°
C4N3C2C154.0°61.7°
C4N3C2C7148.9°124.1°
C4N3C7C831.9°63.9°
C4N3C7C12151.1°115.8°
C4N3C2H2174.4°178.2°
C4N3C2H366.4°58.3°
N3C4H4H5120.6°120.0°
N3C4C5H661.2°60.8°
C1C2N3H2120.4°120.1°
C1C2N3H3120.4°120.0°
C1C2N3C7157.0°174.2°
C1C2H2H3118.7°120.0°
C2C1C6H765.6°62.2°
C2C1C14H1257.8°60.0°
C2C1C14H13177.7°180.0°
C2C1C14H1462.3°60.0°
C27C26C23C301.3°0.3°
C27C26C23F32178.8°180.0°
C27C26C23C21179.3°180.0°
C26C27C28H21175.9°179.7°
C2N3C7C8116.8°60.3°
C2N3C7C1260.2°120.0°
N3C2C1H167.7°60.8°
N3C2H2H3118.7°119.9°
C2N3C4H463.8°178.3°
C2N3C4H5175.8°58.3°
N3C7C8C12177.1°179.7°
N3C7C8C9179.4°180.0°
N3C7C12N133.2°0.0°
N3C7C12C11179.9°179.8°
C7N3C2H236.6°54.1°
C7N3C2H382.5°65.8°
C7N3C4H484.5°54.1°
C7N3C4H535.9°65.9°
N3C7C8H80.6°0.1°
F31C30C23C26177.7°180.0°
F31C30C23C214.2°0.3°
F31C30C29H222.7°0.3°
C30C23C26C21178.1°179.7°
C30C23C26F32180.0°179.7°
C30C23C21N2258.2°50.1°
C30C23C21C20123.6°129.4°
C23C30C29H22171.0°179.7°
C26C23C21N22123.9°130.2°
C26C23C21C2054.4°50.3°
C23C26C27H20178.5°180.0°
F32C26C23C211.9°0.0°
F32C26C27H200.2°0.0°
C7C8C9H8180.0°179.9°
C7C8C9N102.1°0.0°
C8C7C12N13179.7°179.7°
C8C7C12C112.8°0.5°
C7C8C9H9177.9°179.9°
C9C8C7C122.3°0.3°
C8C9N10H9180.0°180.0°
C8C9N10C112.4°0.0°
C23C21N22C20178.3°179.5°
C23C21N22C16178.4°180.0°
C23C21C20F241.0°0.3°
C23C21C20C19177.6°179.7°
C7C12N13C11176.7°179.8°
C7C12N13C15164.7°146.5°
C7C12C11N103.4°0.5°
C12C7C8H8177.7°179.8°
C7C12C11H10176.6°179.7°
C7C12N13H1115.3°33.5°
C9N10C11C123.1°0.2°
N10C9C8H8177.9°180.0°
C9N10C11H10176.9°180.0°
C12N13C15H11180.0°179.9°
N13C12C11N10179.9°179.7°
C12N13C15C16173.4°175.3°
C12N13C15O174.3°4.8°
N13C12C11H100.1°0.0°
C11C12N13C1512.1°33.3°
C12C11N10H10180.0°179.8°
C11C12N13H11167.9°146.8°
N22C21C20F24179.2°179.7°
N22C21C20C190.6°0.3°
C21N22C16C15177.4°179.7°
C21N22C16C180.6°0.6°
C20C21N22C160.1°0.5°
C21C20F24C19178.7°180.0°
C21C20C19C180.8°0.0°
C21C20C19H16179.2°180.0°
N22C16C15N131.0°0.2°
N22C16C15C18178.1°179.8°
N22C16C15O17176.9°179.7°
N22C16C18C190.3°0.3°
N22C16C18H15179.7°179.8°
N13C15C16O17178.0°179.9°
N13C15C16C18179.2°180.0°
C11N10C9H9177.6°180.0°
F24C20C19C18179.5°180.0°
F24C20C19H160.5°0.0°
C20C19C18C160.4°0.0°
C20C19C18H16180.0°180.0°
C20C19C18H15179.6°180.0°
C15C16C18C19177.6°180.0°
C16C15N13H116.6°4.6°
C15C16C18H152.4°0.0°
C18C16C15O171.2°0.1°
C16C18C19H15180.0°180.0°
C16C18C19H16179.6°180.0°
O17C15N13H11175.7°175.3°
H1C1C2H252.7°59.2°
H1C1C2H3171.9°179.2°
H1C1C6H7176.4°177.8°
H1C1C14H1260.0°60.1°
H1C1C14H1360.0°59.9°
H1C1C14H14180.0°179.9°
H4C4C5H6179.0°59.3°
H5C4C5H658.6°179.2°
H6C5C6H7179.2°177.8°
H6C5N25H1762.8°60.1°
H6C5N25H18177.1°176.0°
H7C6O33H2362.1°60.1°
H8C8C9H92.1°0.0°
H12C14H13H14120.0°120.0°
H15C18C19H160.4°0.0°
H20C27C28H214.1°0.3°
H21C28C29H228.9°0.3°

223532

PDB entries from 2024-08-07

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