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I0Y

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O2sing1.35Å1.27Å
C1O1doub1.22Å1.26Å
N1C1sing1.35Å1.43Å
N1C9sing1.46Å1.53Å
N1HN1sing0.97Å1.00Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
N2HN2sing0.97Å1.00Å
O2C2sing1.45Å1.39Å
C3C2sing1.51Å1.51Å
C3C8sing1.38Å1.39ÅAromatic
O3C10doub1.21Å1.22Å
C4C3doub1.38Å1.40ÅAromatic
C4H4sing1.08Å1.08Å
C5C4sing1.38Å1.39ÅAromatic
C5C6doub1.38Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
O5C24sing1.36Å1.43Å
C6C7sing1.38Å1.40ÅAromatic
C6H6sing1.08Å1.08Å
O6C21sing1.43Å1.38Å
O6HO6sing0.97Å0.95Å
C7C8doub1.38Å1.40ÅAromatic
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C9C11sing1.53Å1.61Å
C9H9sing1.09Å1.10Å
C10N2sing1.35Å1.44Å
C10C9sing1.51Å1.60Å
C11C12sing1.51Å1.51Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C12C14sing1.38Å1.38ÅAromatic
C13C12doub1.38Å1.38ÅAromatic
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15C13sing1.38Å1.38ÅAromatic
C15C17doub1.38Å1.39ÅAromatic
C15H15sing1.08Å1.08Å
C16C14doub1.38Å1.39ÅAromatic
C16H16sing1.08Å1.08Å
C17C16sing1.38Å1.38ÅAromatic
C17H17sing1.08Å1.08Å
C18C23sing1.51Å1.48Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C19N2sing1.46Å1.44Å
C19C18sing1.53Å1.54Å
C19H19sing1.09Å1.10Å
C20O4doub1.21Å1.23Å
C20C19sing1.51Å1.51Å
C21C20sing1.51Å1.36Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C23C28sing1.38Å1.40ÅAromatic
C24C30sing1.39Å1.41ÅAromatic
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
C26O5sing1.43Å1.44Å
C26C25sing1.53Å1.51Å
C27C23doub1.38Å1.37ÅAromatic
C27H27sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
C29C24doub1.39Å1.38ÅAromatic
C29C27sing1.38Å1.38ÅAromatic
C29H29sing1.08Å1.08Å
C30C28doub1.38Å1.41ÅAromatic
C30H30sing1.08Å1.08Å
C32C26sing1.53Å1.51Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C32H32Bsing1.09Å1.10Å
C33C26sing1.53Å1.52Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C33H33Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C1O1121.9°120.0°
O2C1N1117.9°120.0°
C1O2C2123.5°117.0°
O1C1N1118.2°119.9°
C1N1C9104.9°120.1°
C1N1HN1127.6°119.9°
C9N1HN1127.6°120.0°
N1C9C11120.1°109.5°
N1C9H9101.2°109.4°
N1C9C10111.5°109.5°
H2C2H2A110.4°109.5°
H2C2O2108.5°109.5°
H2C2C3108.5°109.5°
H2AC2O2108.5°109.5°
H2AC2C3108.5°109.5°
HN2N2C10118.5°120.0°
HN2N2C19118.5°120.0°
O2C2C3112.5°109.5°
C2C3C8120.3°120.0°
C2C3C4118.5°120.0°
C8C3C4121.1°120.0°
C3C8C7119.0°120.0°
C3C8H8120.4°120.0°
O3C10N2123.8°120.0°
O3C10C9126.4°120.0°
C3C4H4120.1°120.0°
C3C4C5119.8°120.0°
H4C4C5120.1°120.0°
C4C5C6119.5°120.0°
C4C5H5120.3°120.0°
C6C5H5120.3°120.0°
C5C6C7120.4°120.0°
C5C6H6119.8°120.0°
O5C24C30124.7°120.0°
C24O5C26120.7°116.9°
O5C24C29114.9°120.1°
C7C6H6119.8°120.0°
C6C7C8120.1°120.0°
C6C7H7119.9°120.1°
C21O6HO6109.5°114.0°
O6C21C20110.9°109.5°
O6C21H21109.0°109.4°
O6C21H21A109.0°109.5°
C8C7H7120.0°120.0°
C7C8H8120.5°120.0°
C11C9H998.4°109.4°
C11C9C10113.5°109.5°
C9C11C12117.1°109.5°
C9C11H11107.0°109.5°
C9C11H11A107.0°109.5°
H9C9C10110.1°109.5°
N2C10C9109.6°120.0°
C10N2C19123.0°120.0°
C12C11H11107.0°109.4°
C12C11H11A107.0°109.5°
C11C12C14122.9°120.0°
C11C12C13116.1°120.0°
H11C11H11A111.8°109.5°
C14C12C13121.0°120.0°
C12C14H14120.4°120.0°
C12C14C16119.2°120.0°
C12C13H13120.1°120.0°
C12C13C15119.7°120.0°
H13C13C15120.2°120.0°
H14C14C16120.4°120.0°
C13C15C17120.0°120.0°
C13C15H15120.0°120.0°
C17C15H15120.0°120.0°
C15C17C16120.1°120.0°
C15C17H17119.9°120.1°
C14C16H16120.1°120.0°
C14C16C17119.9°120.0°
H16C16C17120.0°120.0°
C16C17H17119.9°119.9°
C23C18H18108.8°109.5°
C23C18H18A108.8°109.5°
C23C18C19111.6°109.5°
C18C23C28125.9°120.0°
C18C23C27110.9°119.9°
H18C18H18A110.2°109.5°
H18C18C19108.8°109.4°
H18AC18C19108.8°109.5°
N2C19C18107.8°109.5°
N2C19H19115.3°109.5°
N2C19C20105.3°109.5°
C18C19H19105.5°109.4°
C18C19C20115.1°109.5°
H19C19C20108.1°109.5°
O4C20C19123.5°120.0°
O4C20C21114.0°120.0°
C19C20C21122.3°120.0°
C20C21H21109.0°109.4°
C20C21H21A109.0°109.5°
H21C21H21A109.9°109.6°
C28C23C27122.7°120.1°
C23C28H28120.9°119.9°
C23C28C30118.1°120.0°
C30C24C29120.4°119.8°
C24C30C28119.0°120.0°
C24C30H30120.5°120.0°
H25C25H25A109.5°109.5°
H25C25H25B109.5°109.5°
H25C25C26109.5°109.5°
H25AC25H25B109.5°109.5°
H25AC25C26109.5°109.4°
H25BC25C26109.5°109.5°
O5C26C25108.6°109.5°
O5C26C32113.3°109.4°
O5C26C33111.2°109.5°
C25C26C32108.3°109.5°
C25C26C33109.9°109.5°
C23C27H27120.5°120.0°
C23C27C29118.9°120.1°
H27C27C29120.5°119.9°
H28C28C30120.9°120.0°
C24C29C27120.8°120.0°
C24C29H29119.6°120.0°
C27C29H29119.6°120.0°
C28C30H30120.5°120.0°
C26C32H32109.5°109.5°
C26C32H32A109.4°109.4°
C26C32H32B109.5°109.4°
C32C26C33105.4°109.5°
H32C32H32A109.5°109.5°
H32C32H32B109.5°109.5°
H32AC32H32B109.5°109.4°
C26C33H33109.5°109.5°
C26C33H33A109.4°109.5°
C26C33H33B109.5°109.5°
H33C33H33A109.5°109.5°
H33C33H33B109.4°109.5°
H33AC33H33B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C1O1N1163.4°179.7°
O2C1N1C9142.4°180.0°
O2C1N1HN137.6°0.0°
C1O2C2H2122.1°60.0°
C1O2C2H2A2.2°60.0°
C1O2C2C3117.9°180.0°
O1C1N1C921.7°0.3°
O1C1N1HN1158.3°179.7°
O1C1O2C228.0°0.0°
C1N1C9HN1180.0°179.9°
N1C1O2C2168.5°179.7°
C1N1C9C11134.4°85.0°
C1N1C9H927.7°35.0°
C1N1C9C1089.3°155.0°
N1C9C10O319.4°0.0°
N1C9C11H9108.2°120.0°
N1C9C11C10135.5°120.0°
N1C9H9C10118.0°120.0°
N1C9C10N2166.6°180.0°
N1C9C11C123.9°65.0°
N1C9C11H11116.1°55.0°
N1C9C11H11A123.9°175.0°
HN1N1C9C1145.6°95.0°
HN1N1C9H9152.3°145.1°
HN1N1C9C1090.7°25.1°
H2C2H2AO2118.7°120.0°
H2C2H2AC3118.8°120.0°
H2C2O2C3120.0°120.0°
H2C2C3C818.1°30.0°
H2C2C3C4164.8°150.3°
H2AC2O2C3120.0°120.0°
H2AC2C3C8138.1°150.0°
H2AC2C3C444.8°30.3°
HN2N2C10O3155.1°180.0°
HN2N2C10C19180.0°179.9°
HN2N2C10C919.1°0.1°
HN2N2C19C1856.9°25.1°
HN2N2C19H19174.5°145.0°
HN2N2C19C2066.4°94.9°
O2C2C3C8101.9°90.0°
O2C2C3C475.3°89.7°
C2C3C8C4177.1°179.7°
C2C3C4H41.7°0.0°
C2C3C4C5178.3°180.0°
C2C3C8C7178.7°179.8°
C2C3C8H81.3°0.0°
C8C3C4H4178.9°179.7°
C8C3C4C51.1°0.3°
C3C8C7C61.1°0.5°
C3C8C7H8180.0°179.7°
C3C8C7H7178.9°179.7°
O3C10C9C11120.0°120.0°
O3C10C9H9130.8°120.0°
O3C10N2C9174.3°180.0°
O3C10N2C1924.9°0.0°
C3C4H4C5180.0°180.0°
C3C4C5C60.1°0.0°
C3C4C5H5179.9°179.9°
C4C3C8C71.6°0.6°
C4C3C8H8178.4°179.7°
H4C4C5C6179.9°180.0°
H4C4C5H50.1°0.0°
C4C5C6H5180.0°180.0°
C4C5C6C70.4°0.0°
C4C5C6H6179.6°179.9°
C5C6C7H6180.0°179.9°
C5C6C7C80.1°0.2°
C5C6C7H7179.9°179.9°
H5C5C6C7179.6°180.0°
H5C5C6H60.4°0.0°
O5C24C30C29178.6°179.7°
C24O5C26C2564.6°63.8°
O5C24C29C27178.8°180.0°
O5C24C29H291.3°0.2°
O5C24C30C28178.6°180.0°
O5C24C30H301.3°0.2°
C24O5C26C3255.8°176.2°
C24O5C26C33174.4°56.2°
C6C7C8H7180.0°179.8°
C6C7C8H8178.9°179.8°
H6C6C7C8179.9°179.8°
H6C6C7H70.1°0.0°
O6C21C20O428.5°0.1°
O6C21C20C19146.6°180.0°
O6C21C20H21120.0°119.9°
O6C21C20H21A120.0°120.0°
O6C21H21H21A119.4°120.1°
HO6O6C21C2014.3°180.0°
HO6O6C21H21134.3°60.0°
HO6O6C21H21A105.7°60.0°
H7C7C8H81.1°0.0°
C11C9H9C10118.9°120.0°
C11C9C10N254.1°60.0°
C9C11C12H11120.0°119.9°
C9C11C12H11A120.0°120.0°
C9C11H11H11A116.9°120.0°
C9C11C12C14110.0°90.0°
C9C11C12C1368.9°89.8°
H9C9C10N255.1°60.0°
H9C9C11C12104.3°55.0°
H9C9C11H11135.7°174.9°
H9C9C11H11A15.7°65.0°
C10N2C19C18123.1°155.0°
C10N2C19H195.5°35.1°
C10N2C19C20113.5°85.0°
C10C9C11C12139.4°175.0°
C10C9C11H1119.4°65.1°
C10C9C11H11A100.6°55.0°
C9C10N2C19160.9°180.0°
C12C11H11H11A116.9°120.0°
C11C12C14C13178.9°179.7°
C11C12C13H131.2°0.0°
C11C12C14H140.8°0.0°
C11C12C13C15178.8°180.0°
C11C12C14C16179.2°180.0°
H11C11C12C14130.0°30.0°
H11C11C12C1351.1°150.3°
H11AC11C12C1410.1°150.0°
H11AC11C12C13171.0°30.3°
C14C12C13H13179.9°179.7°
C12C14H14C16180.0°180.0°
C14C12C13C150.1°0.3°
C12C14C16H16179.4°180.0°
C12C14C16C170.6°0.0°
C12C13H13C15180.0°180.0°
C13C12C14H14179.7°179.7°
C12C13C15C170.3°0.0°
C12C13C15H15179.7°179.9°
C13C12C14C160.3°0.3°
H13C13C15C17179.7°180.0°
H13C13C15H150.3°0.1°
H14C14C16H160.6°0.0°
H14C14C16C17179.5°180.0°
C13C15C17H15180.0°179.9°
C13C15C17C160.0°0.4°
C13C15C17H17179.9°180.0°
C15C17C16C140.4°0.4°
C15C17C16H16179.6°179.7°
C15C17C16H17180.0°179.7°
H15C15C17C16180.0°179.7°
H15C15C17H170.1°0.1°
C14C16H16C17180.0°180.0°
C14C16C17H17179.6°180.0°
H16C16C17H170.4°0.0°
C23C18H18H18A119.2°120.1°
C23C18H18C19121.7°120.0°
C23C18H18AC19121.7°120.0°
C23C18C19N2150.4°64.9°
C23C18C19H1985.9°55.0°
C23C18C19C2033.3°175.0°
C18C23C28C27171.1°179.7°
C18C23C27H276.3°0.0°
C18C23C28H287.6°0.0°
C18C23C27C29173.6°180.0°
C18C23C28C30172.4°180.0°
H18C18H18AC19119.1°119.9°
H18C18C19N230.4°55.0°
H18C18C19H19154.1°175.0°
H18C18C19C2086.8°65.0°
H18C18C23C288.9°30.0°
H18C18C23C27163.1°150.3°
H18AC18C19N289.6°175.0°
H18AC18C19H1934.1°65.0°
H18AC18C19C20153.2°54.9°
H18AC18C23C28111.2°150.0°
H18AC18C23C2776.8°30.3°
N2C19C18H19123.7°120.0°
N2C19C18C20117.1°120.1°
N2C19H19C20117.5°120.1°
N2C19C20O495.2°14.9°
N2C19C20C2190.2°165.0°
C18C19H19C20123.6°120.0°
C18C19C20O423.4°105.1°
C18C19C20C21151.2°75.0°
C19C18C23C28128.9°90.0°
C19C18C23C2743.1°89.8°
H19C19C20O4141.0°134.9°
H19C19C20C2133.5°44.9°
O4C20C19C21174.6°179.9°
O4C20C21H21148.5°120.0°
O4C20C21H21A91.5°119.9°
C19C20C21H2126.5°60.1°
C19C20C21H21A93.4°60.0°
C20C21H21H21A119.4°120.0°
C23C28C30C240.6°0.0°
C28C23C27H27178.7°179.7°
C23C28H28C30180.0°180.0°
C28C23C27C291.3°0.2°
C23C28C30H30179.4°179.8°
C30C24O5C26114.6°174.9°
C24C30C28H28179.4°180.0°
C30C24C29C270.0°0.3°
C30C24C29H29180.0°180.0°
C24C30C28H30180.0°179.8°
H25C25H25AH25B120.0°120.0°
H25C25H25AC26120.0°120.0°
H25C25H25BC26120.0°120.0°
H25C25C26O5180.0°77.1°
H25C25C26C3256.6°42.8°
H25C25C26C3358.2°162.8°
H25AC25H25BC26120.0°120.0°
H25AC25C26O560.0°162.9°
H25AC25C26C32176.6°77.1°
H25AC25C26C3361.8°42.9°
H25BC25C26O560.0°42.9°
H25BC25C26C3263.4°162.9°
H25BC25C26C33178.1°77.1°
O5C26C25C32123.4°120.0°
O5C26C25C33121.8°120.0°
C26O5C24C2964.0°5.4°
O5C26C32C33121.8°119.9°
O5C26C32H32180.0°60.0°
O5C26C32H32A60.0°180.0°
O5C26C32H32B60.0°60.1°
O5C26C33H33180.0°47.7°
O5C26C33H33A60.0°167.8°
O5C26C33H33B60.0°72.3°
C25C26C32C33117.6°120.0°
C25C26C32H3259.5°180.0°
C25C26C32H32A60.5°60.0°
C25C26C32H32B179.5°60.0°
C25C26C33H3359.7°72.3°
C25C26C33H33A179.8°47.7°
C25C26C33H33B60.3°167.7°
C23C27H27C29180.0°180.0°
C27C23C28H28178.7°179.7°
C23C27C29C240.6°0.0°
C23C27C29H29179.3°179.8°
C27C23C28C301.3°0.3°
H27C27C29C24179.3°180.0°
H27C27C29H290.7°0.2°
H28C28C30H300.6°0.2°
C24C29C27H29180.0°179.8°
C29C24C30C280.1°0.3°
C29C24C30H30179.9°180.0°
C26C32H32H32A120.0°120.0°
C26C32H32H32B120.0°120.0°
C26C32H32AH32B120.0°119.9°
C32C26C33H3356.8°167.6°
C32C26C33H33A63.2°72.3°
C32C26C33H33B176.8°47.6°
H32C32H32AH32B120.0°120.0°
H32C32C26C3358.1°60.0°
H32AC32C26C33178.2°60.1°
H32BC32C26C3361.9°180.0°
C26C33H33H33A120.0°120.0°
C26C33H33H33B120.0°120.0°
C26C33H33AH33B120.0°120.0°
H33C33H33AH33B120.0°120.0°

222415

PDB entries from 2024-07-10

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