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52D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C7O8doub1.22Å1.22Å
C6C7sing1.47Å1.51Å
C7C9sing1.48Å1.52Å
C14C9doub1.40Å1.39ÅAromatic
C9C10sing1.40Å1.40ÅAromatic
C14C13sing1.38Å1.40ÅAromatic
C14H14sing1.08Å1.08Å
C13N12doub1.32Å1.34ÅAromatic
C13H13sing1.08Å1.08Å
N12C11sing1.32Å1.33ÅAromatic
C10C11doub1.38Å1.38ÅAromatic
C11H11sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C5C6doub1.40Å1.38ÅAromatic
C6C1sing1.40Å1.41ÅAromatic
C2C1doub1.38Å1.39ÅAromatic
C1H1sing1.08Å1.08Å
C4C5sing1.38Å1.38ÅAromatic
C5H5sing1.08Å1.08Å
C4C3doub1.39Å1.39ÅAromatic
C4H4sing1.08Å1.08Å
O15C3sing1.36Å1.38Å
C3C2sing1.39Å1.39ÅAromatic
C2H2sing1.08Å1.08Å
O15C16sing1.43Å1.42Å
C17C16sing1.53Å1.51Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C17N23sing1.47Å1.47Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C19N23sing1.49Å1.45Å
N23C22sing1.48Å1.45Å
C19C20sing1.55Å1.54Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C22C21sing1.54Å1.53Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C20C21sing1.55Å1.52Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O8C7C6113.3°120.0°
O8C7C9117.8°120.0°
C6C7C9128.9°120.0°
C7C6C5118.9°120.1°
C7C6C1121.0°120.1°
C7C9C14123.5°120.9°
C7C9C10119.0°120.9°
C14C9C10117.5°118.2°
C9C14C13118.2°119.0°
C9C14H14120.9°120.5°
C9C10C11121.9°119.0°
C9C10H10119.1°120.5°
C13C14H14120.9°120.5°
C14C13N12122.0°120.9°
C14C13H13119.0°119.6°
N12C13H13119.0°119.5°
C13N12C11121.4°122.1°
N12C11C10119.1°120.9°
N12C11H11120.5°119.6°
C10C11H11120.5°119.6°
C11C10H10119.1°120.5°
C5C6C1120.0°119.8°
C6C5C4118.8°119.9°
C6C5H5120.6°120.1°
C6C1C2121.1°119.9°
C6C1H1119.4°120.0°
C2C1H1119.4°120.1°
C1C2C3118.3°120.1°
C1C2H2120.8°120.0°
C4C5H5120.6°120.0°
C5C4C3121.7°120.1°
C5C4H4119.1°120.0°
C3C4H4119.2°119.9°
C4C3O15116.5°119.9°
C4C3C2120.1°120.2°
O15C3C2123.4°119.9°
C3O15C16123.0°117.0°
C3C2H2120.9°119.9°
O15C16C17111.8°109.5°
O15C16H16108.7°109.5°
O15C16H16A108.2°109.5°
C17C16H16108.7°109.5°
C17C16H16A108.2°109.4°
C16C17N23105.4°109.5°
C16C17H17110.9°109.5°
C16C17H17A111.7°109.4°
H16C16H16A111.3°109.5°
N23C17H17110.9°109.5°
N23C17H17A111.7°109.5°
C17N23C19121.2°111.0°
C17N23C22122.9°111.0°
H17C17H17A106.4°109.5°
C19N23C22115.8°105.8°
N23C19C20102.4°103.3°
N23C19H19111.9°110.7°
N23C19H19A113.4°110.6°
N23C22C21103.6°107.1°
N23C22H22111.5°110.0°
N23C22H22A112.7°109.9°
C20C19H19111.9°110.7°
C20C19H19A113.4°110.6°
C19C20C21108.9°102.9°
C19C20H20109.7°110.8°
C19C20H20A109.8°110.8°
H19C19H19A104.2°110.7°
C21C22H22111.4°109.9°
C21C22H22A112.7°109.9°
C22C21C20106.9°105.1°
C22C21H21110.3°110.3°
C22C21H21A110.9°110.3°
H22C22H22A105.1°110.1°
C20C21H21110.3°110.3°
C20C21H21A110.9°110.4°
C21C20H20109.7°110.7°
C21C20H20A109.8°110.7°
H21C21H21A107.5°110.3°
H20C20H20A109.0°110.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O8C7C6C9178.7°179.8°
O8C7C9C14147.7°157.7°
O8C7C9C1031.7°22.1°
O8C7C6C5114.4°22.2°
O8C7C6C162.1°157.5°
C6C7C9C1433.6°22.5°
C6C7C9C10146.9°157.8°
C7C6C5C1176.5°179.7°
C7C6C1C2179.1°180.0°
C7C6C1H10.9°0.1°
C7C6C5C4178.7°180.0°
C7C6C5H51.4°0.0°
C7C9C14C10179.5°179.8°
C7C9C14C13178.8°179.9°
C7C9C14H141.1°0.0°
C7C9C10C11179.0°179.7°
C7C9C10H100.9°0.1°
C9C7C6C566.9°158.0°
C9C7C6C1116.6°22.3°
C9C14C13H14180.0°179.9°
C9C14C13N121.5°0.0°
C9C14C13H13178.4°180.0°
C14C9C10C111.4°0.5°
C14C9C10H10178.6°179.7°
C10C9C14C131.7°0.3°
C10C9C14H14178.3°179.8°
C9C10C11N121.0°0.5°
C9C10C11H10180.0°179.8°
C9C10C11H11179.0°179.7°
C14C13N12H13180.0°180.0°
C14C13N12C111.1°0.0°
H14C14C13N12178.5°179.9°
H14C14C13H131.5°0.1°
C13N12C11C100.7°0.2°
C13N12C11H11179.2°180.0°
H13C13N12C11178.9°180.0°
N12C11C10H11180.0°179.7°
N12C11C10H10179.0°179.7°
H11C11C10H101.0°0.1°
C5C6C1C22.7°0.3°
C5C6C1H1177.3°179.7°
C6C5C4H5180.0°180.0°
C6C5C4C30.4°0.1°
C6C5C4H4179.6°180.0°
C6C1C2H1180.0°180.0°
C1C6C5C42.1°0.3°
C1C6C5H5177.9°179.7°
C6C1C2C31.4°0.1°
C6C1C2H2178.6°179.7°
C1C2C3C40.4°0.2°
C1C2C3O15179.3°180.0°
C1C2C3H2180.0°179.8°
H1C1C2C3178.6°180.0°
H1C1C2H21.4°0.2°
C5C4C3H4180.0°179.9°
C5C4C3O15179.9°180.0°
C5C4C3C20.9°0.2°
H5C5C4C3179.6°179.9°
H5C5C4H40.4°0.0°
C4C3O15C2179.0°179.8°
C4C3C2H2179.7°180.0°
C4C3O15C16161.1°180.0°
H4C4C3O150.1°0.0°
H4C4C3C2179.1°179.7°
O15C3C2H20.7°0.2°
C3O15C16C17137.9°180.0°
C3O15C16H1617.9°60.0°
C3O15C16H16A103.1°60.0°
C2C3O15C1619.9°0.2°
O15C16C17H16120.0°120.0°
O15C16C17H16A119.0°120.0°
O15C16H16H16A119.0°120.1°
O15C16C17N23144.5°65.0°
O15C16C17H1795.4°175.0°
O15C16C17H17A23.0°55.0°
C17C16H16H16A119.1°119.9°
C16C17N23H17120.0°120.0°
C16C17N23H17A121.5°120.0°
C16C17H17H17A121.6°120.0°
C16C17N23C19103.8°72.6°
C16C17N23C2278.8°170.0°
H16C16C17N2324.5°55.0°
H16C16C17H17144.6°65.0°
H16C16C17H17A97.0°175.0°
H16AC16C17N2396.4°175.0°
H16AC16C17H1723.6°55.0°
H16AC16C17H17A142.1°65.1°
N23C17H17H17A121.6°120.0°
C17N23C19C22177.6°120.5°
C17N23C19C20162.9°159.7°
C17N23C19H1977.0°81.8°
C17N23C19H19A40.4°41.3°
C17N23C22C21160.9°145.8°
C17N23C22H2241.0°26.5°
C17N23C22H22A76.9°94.8°
H17C17N23C1916.3°47.4°
H17C17N23C22161.1°70.0°
H17AC17N23C19134.7°167.4°
H17AC17N23C2242.7°50.1°
N23C19C20H19120.0°118.5°
N23C19C20H19A122.5°118.4°
N23C19H19H19A122.8°123.1°
C19N23C22C2116.6°25.3°
C19N23C22H22136.6°94.0°
C19N23C22H22A105.5°144.6°
N23C19C20C216.4°37.4°
N23C19C20H20126.3°80.9°
N23C19C20H20A113.9°155.7°
C22N23C19C2014.6°39.2°
C22N23C19H19105.4°157.7°
C22N23C19H19A137.2°79.2°
N23C22C21H22120.0°119.4°
N23C22C21H22A122.1°119.4°
N23C22H22H22A122.4°121.3°
N23C22C21C2010.9°1.3°
N23C22C21H21109.1°120.2°
N23C22C21H21A131.9°117.8°
C20C19H19H19A122.9°123.0°
C19C20C21C222.9°21.9°
C19C20C21H20120.0°118.4°
C19C20C21H20A120.2°118.4°
C19C20C21H21117.1°97.0°
C19C20C21H21A123.9°140.9°
C19C20H20H20A120.2°123.3°
H19C19C20C21113.7°155.9°
H19C19C20H206.3°37.6°
H19C19C20H20A126.1°85.8°
H19AC19C20C21128.9°81.0°
H19AC19C20H20111.1°160.6°
H19AC19C20H20A8.6°37.3°
C21C22H22H22A122.3°121.1°
C22C21C20H21120.0°118.9°
C22C21C20H21A121.0°119.0°
C22C21H21H21A121.1°122.1°
C22C21C20H20117.1°96.5°
C22C21C20H20A123.1°140.3°
H22C22C21C20130.9°118.2°
H22C22C21H2110.9°0.7°
H22C22C21H21A108.1°122.8°
H22AC22C21C20111.3°120.6°
H22AC22C21H21128.8°120.5°
H22AC22C21H21A9.8°1.6°
C20C21H21H21A121.0°122.2°
C21C20H20H20A120.3°123.2°
H21C21C20H20122.9°144.6°
H21C21C20H20A3.1°21.4°
H21AC21C20H203.9°22.5°
H21AC21C20H20A115.9°100.7°

227111

PDB entries from 2024-11-06

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