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H0R

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10O9sing1.43Å1.45Å
O9C8sing1.36Å1.38Å
C7C8doub1.38Å1.38ÅAromatic
C7C6sing1.41Å1.46ÅAromatic
C8C3sing1.40Å1.41ÅAromatic
O12C11doub1.21Å1.18Å
C6C11sing1.47Å1.57Å
C6C5doub1.40Å1.37ÅAromatic
C11C13sing1.51Å1.52Å
C3O2sing1.36Å1.39Å
C3C4doub1.39Å1.41ÅAromatic
O2C1sing1.43Å1.39Å
C5C4sing1.38Å1.42ÅAromatic
C5C30sing1.51Å1.58Å
C13C14sing1.53Å1.60Å
C13C30sing1.53Å1.50Å
F16C15sing1.40Å1.40Å
C14C15sing1.53Å1.57Å
C17C15sing1.53Å1.43Å
C17C18sing1.53Å1.53Å
C15C29sing1.53Å1.48Å
C18N19sing1.47Å1.48Å
C29C28sing1.53Å1.52Å
N19C28sing1.47Å1.44Å
N19C20sing1.47Å1.24Å
F27C26sing1.35Å1.35Å
C20C21sing1.51Å1.59Å
C26C21doub1.38Å1.41ÅAromatic
C26C25sing1.39Å1.44ÅAromatic
C21C22sing1.38Å1.41ÅAromatic
C25C24doub1.38Å1.39ÅAromatic
C22C23doub1.38Å1.43ÅAromatic
C24C23sing1.38Å1.39ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C4H4sing1.08Å1.08Å
C7H5sing1.08Å1.08Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C14H10sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C17H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C22H18sing1.08Å1.08Å
C23H19sing1.08Å1.08Å
C24H20sing1.08Å1.08Å
C25H21sing1.08Å1.08Å
C28H22sing1.09Å1.10Å
C28H23sing1.09Å1.10Å
C29H24sing1.09Å1.10Å
C29H25sing1.09Å1.10Å
C30H26sing1.09Å1.10Å
C30H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C10O9C8114.0°117.0°
O9C10H6109.5°109.4°
O9C10H7109.5°109.4°
O9C10H8109.4°109.5°
O9C8C7121.2°120.0°
O9C8C3118.9°120.0°
C8C7C6120.0°120.1°
C7C8C3119.8°120.0°
C8C7H5120.0°119.9°
C7C6C11132.1°129.9°
C7C6C5119.4°119.5°
C6C7H5120.0°119.9°
C8C3O2121.2°120.0°
C8C3C4120.4°120.0°
O12C11C6124.6°126.0°
O12C11C13126.5°125.9°
C11C6C5108.5°110.7°
C6C11C13108.8°108.2°
C6C5C4120.5°120.0°
C6C5C30109.2°109.6°
C11C13C14114.1°110.2°
C11C13C30104.7°105.3°
C11C13H9108.6°110.3°
O2C3C4118.4°120.0°
C3O2C1110.0°117.0°
C3C4C5119.9°120.4°
C3C4H4120.1°119.8°
O2C1H1109.5°109.4°
O2C1H2109.5°109.5°
O2C1H3109.5°109.5°
C4C5C30130.3°130.4°
C5C4H4120.1°119.8°
C5C30C13108.3°106.3°
C5C30H26109.7°110.1°
C5C30H27109.7°110.1°
C14C13C30112.9°110.3°
C13C14C15112.5°109.4°
C14C13H9107.6°110.2°
C13C14H10108.7°109.5°
C13C14H11108.7°109.4°
C30C13H9108.8°110.4°
C13C30H26109.8°110.1°
C13C30H27109.7°110.1°
F16C15C1488.1°109.6°
F16C15C17116.5°109.6°
F16C15C29121.9°109.5°
C14C15C1793.5°109.6°
C14C15C2990.1°109.5°
C15C14H10108.7°109.5°
C15C14H11108.7°109.5°
C15C17C18108.4°109.3°
C17C15C29121.6°109.1°
C15C17H12109.7°109.5°
C15C17H13109.7°109.5°
C17C18N19114.2°109.5°
C18C17H12109.7°109.5°
C18C17H13109.7°109.5°
C17C18H14108.3°109.4°
C17C18H15108.3°109.4°
C15C29C28111.6°109.2°
C15C29H24108.9°109.5°
C15C29H25109.0°109.5°
C18N19C28112.9°111.2°
C18N19C20115.9°111.0°
N19C18H14108.3°109.5°
N19C18H15108.3°109.5°
C29C28N19107.9°109.5°
C29C28H22109.8°109.5°
C29C28H23109.9°109.5°
C28C29H24108.9°109.5°
C28C29H25108.9°109.5°
C28N19C20110.5°111.0°
N19C28H22109.8°109.5°
N19C28H23109.8°109.5°
N19C20C21114.6°109.4°
N19C20H16108.2°109.4°
N19C20H17108.1°109.5°
F27C26C21121.6°120.1°
F27C26C25117.3°120.0°
C20C21C26122.8°120.0°
C20C21C22118.6°120.0°
C21C20H16108.1°109.5°
C21C20H17108.2°109.5°
C21C26C25121.1°119.9°
C26C21C22118.6°120.0°
C26C25C24119.3°120.0°
C26C25H21120.3°120.0°
C21C22C23119.6°120.0°
C21C22H18120.2°120.0°
C25C24C23119.8°120.0°
C25C24H20120.1°120.0°
C24C25H21120.3°120.0°
C22C23C24121.5°120.1°
C23C22H18120.2°120.0°
C22C23H19119.2°120.0°
C24C23H19119.2°120.0°
C23C24H20120.1°120.0°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H6C10H7109.5°109.5°
H6C10H8109.5°109.5°
H7C10H8109.5°109.5°
H10C14H11109.5°109.5°
H12C17H13109.5°109.6°
H14C18H15109.5°109.4°
H16C20H17109.5°109.5°
H22C28H23109.5°109.4°
H24C29H25109.5°109.6°
H26C30H27109.5°110.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C10O9C8C78.1°0.1°
C10O9C8C3171.9°180.0°
O9C10H6H7120.0°119.9°
O9C10H6H8120.0°120.0°
O9C10H7H8120.0°120.0°
O9C8C7C3180.0°180.0°
O9C8C7C6179.5°180.0°
O9C8C3O20.0°0.0°
O9C8C3C4179.9°179.9°
O9C8C7H50.5°0.0°
C8O9C10H6180.0°180.0°
C8O9C10H760.0°60.1°
C8O9C10H860.0°60.0°
C8C7C6H5180.0°180.0°
C8C7C6C11179.7°180.0°
C8C7C6C50.2°0.0°
C7C8C3O2180.0°180.0°
C7C8C3C40.1°0.1°
C6C7C8C30.5°0.0°
C7C6C11O122.4°0.2°
C7C6C11C5179.9°180.0°
C7C6C11C13176.2°180.0°
C7C6C5C40.4°0.1°
C7C6C5C30179.6°180.0°
C8C3O2C4179.9°179.9°
C8C3O2C1162.2°180.0°
C8C3C4C50.5°0.1°
C8C3C4H4179.5°180.0°
C3C8C7H5179.5°180.0°
O12C11C6C13178.7°179.8°
O12C11C6C5177.6°179.8°
O12C11C13C1451.2°60.8°
O12C11C13C30175.2°179.8°
O12C11C13H968.8°61.1°
C11C6C5C4179.7°179.9°
C11C6C5C300.4°0.0°
C6C11C13C14130.2°119.0°
C6C11C13C306.2°0.1°
C11C6C7H50.3°0.0°
C6C11C13H9109.9°119.0°
C5C6C11C133.7°0.1°
C6C5C4C30.8°0.1°
C6C5C4C30179.1°180.0°
C6C5C30C134.4°0.0°
C6C5C4H4179.2°180.0°
C5C6C7H5179.8°180.0°
C6C5C30H26124.2°119.2°
C6C5C30H27115.4°119.2°
C11C13C30C56.4°0.0°
C11C13C14C30119.4°115.9°
C11C13C14H9120.5°122.0°
C11C13C30H9116.0°119.1°
C11C13C14C15124.7°173.6°
C11C13C14H10114.9°66.4°
C11C13C14H114.2°53.6°
C11C13C30H26126.2°119.2°
C11C13C30H27113.4°119.2°
O2C3C4C5179.4°180.0°
C3O2C1H1180.0°60.0°
C3O2C1H260.0°60.0°
C3O2C1H360.0°180.0°
O2C3C4H40.6°0.1°
C4C3O2C117.7°0.1°
C3C4C5H4180.0°179.9°
C3C4C5C30179.8°179.9°
O2C1H1H2120.0°120.0°
O2C1H1H3120.0°120.0°
O2C1H2H3120.0°120.0°
C4C5C30C13176.4°180.0°
C4C5C30H2656.6°60.9°
C4C5C30H2763.8°60.8°
C5C30C13C14131.1°118.9°
C5C30C13H26119.8°119.2°
C5C30C13H27119.8°119.2°
C30C5C4H40.2°0.1°
C5C30C13H9109.6°119.0°
C5C30H26H27120.5°121.6°
C14C13C30H9119.3°122.0°
C13C14C15F1639.8°59.7°
C13C14C15H10120.4°120.0°
C13C14C15H11120.5°119.9°
C13C14C15C17156.2°60.5°
C13C14C15C2982.1°179.8°
C13C14H10H11118.6°120.0°
C14C13C30H26109.1°121.9°
C14C13C30H2711.3°0.3°
C30C13C14C15115.9°70.6°
C30C13C14H104.6°49.5°
C30C13C14H11123.7°169.5°
C13C30H26H27120.5°121.5°
F16C15C14C17116.4°120.2°
F16C15C14C29121.9°120.1°
F16C15C17C29178.1°119.8°
F16C15C17C18129.3°177.5°
F16C15C29C28149.5°177.6°
F16C15C14H10160.2°60.3°
F16C15C14H1180.7°179.6°
F16C15C17H12110.9°62.5°
F16C15C17H139.4°57.6°
F16C15C29H2429.2°57.7°
F16C15C29H2590.2°62.5°
C14C15C17C2992.3°119.9°
C14C15C17C18141.1°62.2°
C14C15C29C28122.8°62.3°
C15C14C13H94.2°51.6°
C15C14H10H11118.6°120.0°
C14C15C17H1221.3°57.7°
C14C15C17H1399.0°177.8°
C14C15C29H24117.0°177.8°
C14C15C29H252.4°57.6°
C15C17C18H12119.8°119.9°
C15C17C18H13119.8°119.9°
C15C17C18N1911.0°59.2°
C17C15C29C2828.5°57.7°
C17C15C14H1083.4°179.4°
C17C15C14H1135.7°59.4°
C15C17H12H13120.5°120.1°
C15C17C18H14131.6°60.9°
C15C17C18H15109.7°179.2°
C17C15C29H24148.8°62.2°
C17C15C29H2591.8°177.6°
C18C17C15C2948.9°57.7°
C17C18N19H14120.7°120.0°
C17C18N19H15120.7°120.0°
C17C18N19C2845.3°61.8°
C17C18N19C20174.1°174.2°
C18C17H12H13120.5°120.1°
C17C18H14H15117.8°119.9°
C15C29C28H24120.3°120.0°
C15C29C28H25120.3°119.9°
C15C29C28N1929.4°59.2°
C29C15C14H1038.3°59.7°
C29C15C14H11157.4°60.3°
C29C15C17H1271.0°177.6°
C29C15C17H13168.7°62.2°
C15C29C28H22149.1°179.2°
C15C29C28H2390.3°60.8°
C15C29H24H25119.1°120.1°
C18N19C28C2965.9°61.8°
C18N19C28C20131.6°124.1°
C18N19C20C21115.1°170.0°
N19C18C17H12108.9°179.1°
N19C18C17H13130.8°60.7°
N19C18H14H15117.8°120.0°
C18N19C20H16124.2°50.0°
C18N19C20H175.7°70.0°
C18N19C28H22174.3°178.2°
C18N19C28H2353.8°58.3°
C29C28N19H22119.7°120.0°
C29C28N19H23119.8°120.0°
C29C28N19C20162.5°174.2°
C29C28H22H23120.8°120.0°
C28C29H24H25119.0°120.1°
C28N19C20C21114.9°65.8°
C28N19C18H1475.4°58.3°
C28N19C18H15166.0°178.2°
C28N19C20H165.8°174.2°
C28N19C20H17124.3°54.2°
N19C28H22H23120.7°120.0°
N19C28C29H2490.9°60.8°
N19C28C29H25149.7°179.1°
N19C20C21H16120.7°119.9°
N19C20C21H17120.8°120.0°
N19C20C21C26101.8°75.3°
N19C20C21C2278.2°105.0°
C20N19C18H1453.4°65.8°
C20N19C18H1565.2°54.2°
N19C20H16H17117.6°120.0°
C20N19C28H2242.8°54.1°
C20N19C28H2377.7°65.8°
F27C26C21C200.1°0.0°
F27C26C21C25179.6°179.7°
F27C26C21C22180.0°179.8°
F27C26C25C24179.9°179.7°
F27C26C25H210.1°0.0°
C20C21C26C22179.9°179.7°
C20C21C26C25179.5°179.7°
C20C21C22C23179.7°179.9°
C21C20H16H17117.7°120.0°
C20C21C22H180.3°0.0°
C21C26C25C240.3°0.6°
C26C21C22C230.3°0.2°
C26C21C20H16137.5°44.7°
C26C21C20H1719.0°164.8°
C26C21C22H18179.7°179.7°
C21C26C25H21179.7°179.7°
C25C26C21C220.4°0.5°
C26C25C24H21180.0°179.7°
C26C25C24C230.0°0.3°
C26C25C24H20180.0°179.8°
C21C22C23H18180.0°179.9°
C21C22C23C240.0°0.1°
C22C21C20H1642.6°135.1°
C22C21C20H17161.1°15.0°
C21C22C23H19179.9°180.0°
C25C24C23C220.2°0.1°
C25C24C23H20180.0°179.9°
C25C24C23H19179.8°179.9°
C22C23C24H19180.0°179.9°
C22C23C24H20179.8°179.8°
C24C23C22H18180.0°180.0°
C23C24C25H21180.0°180.0°
H1C1H2H3120.0°120.0°
H6C10H7H8120.0°120.1°
H9C13C14H10124.6°171.6°
H9C13C14H11116.3°68.4°
H9C13C30H2610.2°0.2°
H9C13C30H27130.6°121.8°
H12C17C18H1411.8°59.0°
H12C17C18H15130.4°60.8°
H13C17C18H14108.5°179.2°
H13C17C18H1510.1°59.3°
H18C22C23H190.0°0.2°
H19C23C24H200.2°0.0°
H20C24C25H210.0°0.1°
H22C28C29H2428.8°59.3°
H22C28C29H2590.5°60.9°
H23C28C29H24149.4°179.2°
H23C28C29H2530.0°59.0°

222415

PDB entries from 2024-07-10

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