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ORF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N22C21doub1.32Å1.35ÅAromatic
N22C23sing1.32Å1.35ÅAromatic
C21C19sing1.38Å1.38ÅAromatic
C23C24doub1.38Å1.38ÅAromatic
C19F20sing1.35Å1.34Å
C19C18doub1.40Å1.39ÅAromatic
C24C18sing1.40Å1.39ÅAromatic
C24CL25sing1.74Å1.71Å
C18C15sing1.48Å1.45Å
C15C14doub1.37Å1.38ÅAromatic
C15C16sing1.41Å1.41ÅAromatic
O1N2sing1.42Å1.26Å
N38N37doub1.29Å1.33ÅAromatic
N38N34sing1.41Å1.34ÅAromatic
C14N13sing1.35Å1.37ÅAromatic
N37N36sing1.28Å1.38ÅAromatic
C16N17doub1.31Å1.34ÅAromatic
C3N2doub1.32Å1.35ÅAromatic
C3C4sing1.39Å1.39ÅAromatic
C32C31doub1.38Å1.39ÅAromatic
C32C33sing1.39Å1.40ÅAromatic
C31C29sing1.38Å1.39ÅAromatic
N2C7sing1.32Å1.34ÅAromatic
N34C33sing1.40Å1.39Å
N34C35sing1.35Å1.36ÅAromatic
C33C26doub1.40Å1.39ÅAromatic
C29CL30sing1.74Å1.72Å
C29C27doub1.38Å1.39ÅAromatic
N36C35doub1.31Å1.31ÅAromatic
N13N17sing1.40Å1.35ÅAromatic
N13C8sing1.46Å1.45Å
C26C27sing1.40Å1.39ÅAromatic
C26C4sing1.48Å1.46Å
C27F28sing1.35Å1.34Å
C4C5doub1.40Å1.39ÅAromatic
C7C8sing1.51Å1.50Å
C7C6doub1.38Å1.39ÅAromatic
C8C9sing1.53Å1.51Å
C5C6sing1.39Å1.40ÅAromatic
C11C10sing1.53Å1.50Å
C11C12sing1.53Å1.50Å
C9C10sing1.53Å1.49Å
C10C12sing1.53Å1.51Å
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
C8H3sing1.09Å1.10Å
C10H4sing1.09Å1.10Å
C21H5sing1.08Å1.08Å
C11H6sing1.09Å1.10Å
C11H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C14H10sing1.08Å1.08Å
C16H11sing1.08Å1.08Å
C23H12sing1.08Å1.08Å
C3H13sing1.08Å1.08Å
C31H14sing1.08Å1.08Å
C32H15sing1.08Å1.08Å
C35H16sing1.08Å1.08Å
C9H17sing1.09Å1.10Å
C9H18sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21N22C23116.1°122.0°
N22C21C19123.7°120.9°
N22C21H5118.1°119.6°
N22C23C24123.4°120.9°
N22C23H12118.3°119.5°
C21C19F20119.7°120.5°
C21C19C18120.2°118.9°
C19C21H5118.2°119.5°
C23C24C18120.4°119.0°
C23C24CL25116.8°120.5°
C24C23H12118.3°119.6°
F20C19C18120.2°120.5°
C19C18C24116.3°118.2°
C19C18C15117.8°120.9°
C18C24CL25122.8°120.5°
C24C18C15125.9°120.9°
C18C15C14126.2°126.2°
C18C15C16130.7°126.3°
C14C15C16103.1°107.6°
C15C14N13106.5°107.6°
C15C14H10126.8°126.2°
C15C16N17114.3°108.1°
C15C16H11122.8°125.9°
O1N2C3118.4°119.1°
O1N2C7119.7°119.1°
N37N38N34104.6°106.7°
N38N37N36111.2°110.2°
N38N34C33122.6°127.4°
N38N34C35110.2°105.2°
C14N13N17114.2°108.2°
C14N13C8125.5°125.9°
N13C14H10126.7°126.2°
N37N36C35105.6°110.7°
C16N17N13102.0°108.5°
N17C16H11122.8°126.0°
N2C3C4121.7°120.6°
C3N2C7121.9°121.8°
N2C3H13119.2°119.7°
C3C4C26119.6°120.5°
C3C4C5117.2°118.9°
C4C3H13119.2°119.7°
C31C32C33120.5°120.1°
C32C31C29118.5°120.3°
C32C31H14120.8°119.9°
C31C32H15119.8°119.9°
C32C33N34118.8°120.1°
C32C33C26120.7°119.8°
C33C32H15119.7°119.9°
C31C29CL30119.9°119.9°
C31C29C27120.9°120.2°
C29C31H14120.7°119.8°
N2C7C8116.5°119.4°
N2C7C6119.4°121.1°
C33N34C35127.2°127.4°
N34C33C26120.5°120.1°
N34C35N36108.5°107.2°
N34C35H16125.8°126.4°
C33C26C27118.3°119.6°
C33C26C4124.0°120.2°
CL30C29C27119.2°119.9°
C29C27C26121.0°119.9°
C29C27F28120.1°120.1°
N36C35H16125.8°126.4°
N17N13C8120.3°125.9°
N13C8C7115.0°109.4°
N13C8C9109.4°109.4°
N13C8H3106.6°109.5°
C27C26C4117.7°120.1°
C26C27F28118.9°120.1°
C26C4C5123.1°120.6°
C4C5C6120.5°118.4°
C4C5H1119.7°120.8°
C8C7C6124.1°119.5°
C7C8C9113.2°109.5°
C7C8H3106.0°109.5°
C7C6C5119.3°119.3°
C7C6H2120.4°120.4°
C8C9C10110.4°109.4°
C9C8H3105.9°109.5°
C8C9H17109.2°109.4°
C8C9H18109.2°109.5°
C6C5H1119.7°120.8°
C5C6H2120.4°120.4°
C10C11C1260.2°60.0°
C11C10C9118.7°117.5°
C11C10C1260.0°60.0°
C11C10H4116.2°117.6°
C10C11H6119.9°117.5°
C10C11H7120.0°117.5°
C11C12C1059.9°60.0°
C12C11H6120.0°117.5°
C12C11H7120.0°117.5°
C11C12H8120.0°117.5°
C11C12H9120.0°117.5°
C9C10C12117.5°117.5°
C9C10H4116.5°115.5°
C10C9H17109.2°109.4°
C10C9H18109.2°109.5°
C12C10H4116.1°117.6°
C10C12H8120.0°117.5°
C10C12H9120.0°117.5°
H6C11H7109.5°115.5°
H8C12H9109.5°115.6°
H17C9H18109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N22C21C19H5180.0°179.8°
C21N22C23C240.6°0.6°
N22C21C19F20179.8°179.8°
N22C21C19C180.2°0.3°
C21N22C23H12179.4°179.8°
C23N22C21C190.5°0.1°
N22C23C24H12180.0°179.1°
N22C23C24C180.4°0.8°
N22C23C24CL25179.9°179.1°
C23N22C21H5179.5°179.7°
C21C19F20C18180.0°179.9°
C21C19C18C240.0°0.1°
C21C19C18C15179.3°179.5°
C23C24C18C190.1°0.5°
C23C24C18CL25179.4°179.9°
C23C24C18C15179.3°180.0°
F20C19C18C24180.0°180.0°
F20C19C18C150.7°0.5°
F20C19C21H50.2°0.0°
C19C18C24C15179.2°179.6°
C19C18C24CL25179.5°179.5°
C19C18C15C14157.5°64.5°
C19C18C15C1621.3°115.2°
C18C19C21H5179.8°180.0°
C24C18C15C1421.7°115.0°
C24C18C15C16159.5°65.2°
C18C24C23H12179.6°180.0°
CL25C24C18C151.3°0.1°
CL25C24C23H120.1°0.0°
C18C15C14C16179.0°179.8°
C18C15C14N13178.7°179.8°
C18C15C16N17178.8°179.8°
C18C15C14H101.3°0.2°
C18C15C16H111.2°0.2°
C15C14N13H10180.0°180.0°
C14C15C16N170.2°0.0°
C15C14N13N170.3°0.0°
C15C14N13C8178.8°180.0°
C14C15C16H11179.8°180.0°
C16C15C14N130.3°0.0°
C15C16N17H11180.0°180.0°
C15C16N17N130.0°0.0°
C16C15C14H10179.7°180.0°
O1N2C3C7179.4°179.4°
O1N2C3C4179.6°180.0°
O1N2C7C80.1°0.3°
O1N2C7C6179.7°179.7°
O1N2C3H130.4°0.6°
N37N38N34C33177.9°179.8°
N37N38N34C350.4°0.2°
N38N37N36C350.0°0.2°
N34N38N37N360.3°0.0°
N38N34C33C32125.3°180.0°
N38N34C33C35178.0°180.0°
N38N34C33C2656.6°0.5°
N38N34C35N360.5°0.3°
N38N34C35H16179.6°180.0°
C14N13N17C160.2°0.0°
C14N13N17C8178.6°180.0°
C14N13C8C7118.8°84.2°
C14N13C8C9112.4°35.8°
C14N13C8H31.7°155.8°
N37N36C35N340.3°0.3°
N37N36C35H16179.7°180.0°
C16N17N13C8178.8°180.0°
N2C3C4H13180.0°179.4°
N2C3C4C26178.6°179.7°
N2C3C4C50.1°0.5°
C3N2C7C8179.3°179.7°
C3N2C7C60.3°0.3°
C4C3N2C70.1°0.6°
C3C4C26C33113.9°65.0°
C3C4C26C2765.7°114.7°
C3C4C26C5178.7°179.7°
C3C4C5C60.2°0.2°
C3C4C5H1179.8°179.7°
C31C32C33H15180.0°179.6°
C32C31C29H14180.0°180.0°
C31C32C33N34178.2°180.0°
C31C32C33C260.1°0.6°
C32C31C29CL30179.6°180.0°
C32C31C29C271.1°0.1°
C33C32C31C290.9°0.3°
C32C33N34C26178.1°179.5°
C32C33N34C3552.7°0.0°
C32C33C26C270.5°0.6°
C32C33C26C4179.0°179.7°
C33C32C31H14179.1°179.7°
C31C29CL30C27179.3°180.0°
C31C29C27C260.5°0.1°
C31C29C27F28179.4°180.0°
C29C31C32H15179.1°180.0°
N2C7C8N1383.3°96.0°
N2C7C8C6179.6°180.0°
N2C7C8C9149.9°144.1°
N2C7C6C50.2°0.0°
N2C7C6H2179.8°180.0°
N2C7C8H334.3°24.1°
C7N2C3H13179.9°180.0°
C33N34C35N36177.7°179.7°
N34C33C26C27177.5°180.0°
N34C33C26C42.9°0.2°
N34C33C32H151.8°0.3°
C33N34C35H162.2°0.1°
C35N34C33C26125.4°179.5°
N34C35N36H16180.0°179.7°
C33C26C27C290.3°0.3°
C33C26C27C4179.6°179.7°
C33C26C27F28179.8°179.8°
C33C26C4C567.4°115.2°
C26C33C32H15179.9°179.8°
CL30C29C27C26179.8°180.0°
CL30C29C27F280.1°0.0°
CL30C29C31H140.4°0.0°
C29C27C26F28179.9°179.9°
C29C27C26C4179.3°180.0°
C27C29C31H14178.9°180.0°
N17N13C8C762.8°95.8°
N17N13C8C966.0°144.3°
N17N13C8H3180.0°24.3°
N17N13C14H10179.7°180.0°
N13N17C16H11180.0°180.0°
N13C8C7C9126.8°119.9°
N13C8C7H3117.5°120.0°
N13C8C7C697.1°84.1°
N13C8C9H3114.5°120.0°
N13C8C9C1049.2°65.1°
C8N13C14H101.2°0.0°
N13C8C9H17169.3°175.0°
N13C8C9H1870.9°54.9°
C27C26C4C5113.0°65.0°
C4C26C27F280.6°0.0°
C26C4C5C6178.5°180.0°
C26C4C5H11.5°0.1°
C26C4C3H131.3°0.3°
C4C5C6C70.0°0.1°
C4C5C6H1180.0°179.9°
C4C5C6H2179.9°180.0°
C5C4C3H13179.9°179.9°
C7C8C9H3115.8°120.1°
C8C7C6C5179.4°180.0°
C7C8C9C10178.9°175.0°
C8C7C6H20.6°0.0°
C7C8C9H1761.0°55.1°
C7C8C9H1858.8°65.0°
C6C7C8C929.7°35.8°
C7C6C5H2180.0°180.0°
C7C6C5H1180.0°180.0°
C6C7C8H3145.3°155.9°
C8C9C10C1173.2°116.4°
C8C9C10H17120.1°119.9°
C8C9C10H18120.1°120.0°
C8C9C10C12142.2°175.0°
C8C9C10H473.4°29.4°
C8C9H17H18119.6°120.1°
C10C11C12H6109.5°107.5°
C10C11C12H7109.5°107.5°
C11C10C9C1269.0°68.6°
C11C10C9H4146.6°145.7°
C11C10C12H4106.5°107.5°
C10C11H6H7144.6°145.7°
C10C11C12H8109.4°107.4°
C10C11C12H9109.4°107.4°
C11C10C9H1746.9°3.6°
C11C10C9H18166.7°123.6°
C12C11H6H7144.7°145.7°
C11C12H8H9144.8°145.8°
C9C10C12H4144.6°145.0°
C10C9C8H365.4°55.0°
C9C10C11H6143.5°145.1°
C9C10C11H72.5°0.1°
C9C10C12H8141.7°0.0°
C9C10C12H90.5°144.9°
C10C9H17H18119.6°120.0°
C10C12H8H9144.8°145.6°
C12C10C9H1722.1°65.0°
C12C10C9H1897.7°55.0°
H1C5C6H20.1°0.1°
H3C8C9H1754.8°65.0°
H3C8C9H18174.5°175.0°
H4C10C11H63.2°0.1°
H4C10C11H7144.1°144.9°
H4C10C12H82.9°145.0°
H4C10C12H9144.0°0.0°
H4C10C9H17166.5°149.3°
H4C10C9H1846.8°90.7°
H6C11C12H80.1°145.1°
H6C11C12H9141.1°0.0°
H7C11C12H8141.0°0.1°
H7C11C12H90.1°145.0°
H14C31C32H150.9°0.1°

225946

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