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Obsolete: 395

395 was replaced with 961 on
Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.39ÅAromatic
C1C6sing1.39Å1.38ÅAromatic
C1F1sing1.35Å1.33Å
C2C3sing1.40Å1.39ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.40Å1.39ÅAromatic
C3C7sing1.47Å1.45Å
C4C5sing1.38Å1.40ÅAromatic
C4H4sing1.08Å1.10Å
C5C6doub1.39Å1.39ÅAromatic
C5H5sing1.08Å1.10Å
C6N6sing1.40Å1.39Å
C7O71doub1.22Å1.24Å
C7O72sing1.35Å1.25Å
C8C9doub1.38Å1.39ÅAromatic
C8C17sing1.39Å1.42ÅAromatic
C8H8sing1.08Å1.10Å
C9C10sing1.38Å1.38ÅAromatic
C9C22sing1.51Å1.51Å
C10C11doub1.38Å1.38ÅAromatic
C10H10sing1.08Å1.10Å
C11C12sing1.39Å1.40ÅAromatic
C11H11sing1.08Å1.10Å
C12C13sing1.51Å1.52Å
C12C17doub1.38Å1.38ÅAromatic
C13C14sing1.53Å1.53Å
C13C20sing1.53Å1.53Å
C13C21sing1.53Å1.52Å
C14C15sing1.53Å1.53Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.12Å
C15C16sing1.53Å1.54Å
C15H151sing1.09Å1.11Å
C15H152sing1.09Å1.12Å
C16C17sing1.51Å1.51Å
C16C18sing1.53Å1.54Å
C16C19sing1.53Å1.53Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.12Å
C18H183sing1.09Å1.12Å
C19H191sing1.09Å1.12Å
C19H192sing1.09Å1.11Å
C19H193sing1.09Å1.12Å
C20H201sing1.09Å1.12Å
C20H202sing1.09Å1.11Å
C20H203sing1.09Å1.12Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.12Å
C21H213sing1.09Å1.11Å
C22C23sing1.51Å1.55Å
C22O22sing1.43Å1.43Å
C22H22sing1.09Å1.11Å
C23N6sing1.35Å1.34Å
C23O23doub1.21Å1.23Å
N6HN6sing0.97Å1.02Å
O22HO22sing0.97Å0.95Å
O72HO27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6123.5°120.0°
C2C1F1118.0°120.0°
C1C2C3118.5°119.9°
C1C2H2120.5°120.1°
C6C1F1118.5°120.0°
C1C6C5117.4°120.2°
C1C6N6121.6°119.9°
C3C2H2121.0°120.0°
C2C3C4119.5°119.9°
C2C3C7119.6°120.1°
C4C3C7120.9°120.0°
C3C4C5120.4°120.0°
C3C4H4119.5°120.0°
C3C7O71116.7°120.0°
C3C7O72122.5°120.0°
C5C4H4120.1°120.0°
C4C5C6120.7°120.1°
C4C5H5120.0°120.0°
C6C5H5119.3°120.0°
C5C6N6120.7°119.9°
C6N6C23128.8°120.0°
C6N6HN6117.8°120.0°
O71C7O72120.5°120.0°
C7O72HO27122.6°120.0°
C9C8C17122.4°120.6°
C9C8H8117.8°119.7°
C8C9C10117.6°119.7°
C8C9C22120.5°120.1°
C17C8H8119.8°119.7°
C8C17C12118.5°119.7°
C8C17C16118.9°117.8°
C10C9C22121.9°120.2°
C9C10C11120.4°119.8°
C9C10H10119.9°120.1°
C9C22C23113.6°109.5°
C9C22O22115.1°109.5°
C9C22H22102.9°109.5°
C11C10H10119.7°120.1°
C10C11C12121.8°120.6°
C10C11H11118.4°119.7°
C12C11H11119.8°119.7°
C11C12C13117.0°117.7°
C11C12C17118.7°119.7°
C13C12C17124.3°122.7°
C12C13C14110.9°110.5°
C12C13C20108.3°109.3°
C12C13C21107.6°109.3°
C12C17C16122.0°122.5°
C14C13C20107.4°109.2°
C14C13C21113.0°109.3°
C13C14C15110.4°108.4°
C13C14H141111.8°109.7°
C13C14H142111.8°109.7°
C20C13C21109.6°109.3°
C13C20H201108.4°109.4°
C13C20H202112.7°109.5°
C13C20H203112.6°109.4°
C13C21H211107.6°109.4°
C13C21H212112.9°109.5°
C13C21H213112.9°109.5°
C15C14H141111.9°109.7°
C15C14H142111.9°109.7°
C14C15C16111.6°108.4°
C14C15H151111.4°109.7°
C14C15H152111.4°109.7°
H141C14H14298.5°109.7°
C16C15H151111.4°109.7°
C16C15H152111.4°109.7°
C15C16C17111.3°110.6°
C15C16C18109.7°109.2°
C15C16C19108.3°109.2°
H151C15H15299.0°109.7°
C17C16C18106.5°109.2°
C17C16C19112.2°109.2°
C18C16C19108.7°109.3°
C16C18H181109.7°109.4°
C16C18H182112.1°109.5°
C16C18H183112.1°109.5°
C16C19H191108.3°109.4°
C16C19H192112.6°109.5°
C16C19H193112.6°109.4°
H181C18H182112.1°109.5°
H181C18H183112.2°109.4°
H182C18H18398.3°109.5°
H191C19H192112.7°109.5°
H191C19H193112.7°109.5°
H192C19H19397.8°109.5°
H201C20H202112.6°109.5°
H201C20H203112.6°109.5°
H202C20H20397.8°109.5°
H211C21H212112.9°109.5°
H211C21H213112.9°109.4°
H212C21H21397.5°109.5°
C23C22O22111.5°109.5°
C23C22H22107.2°109.5°
C22C23N6113.2°120.0°
C22C23O23119.7°120.1°
O22C22H22105.4°109.5°
C22O22HO22115.1°106.7°
N6C23O23127.0°119.9°
C23N6HN6113.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6F1178.5°179.5°
C1C2C3H2179.9°179.7°
C1C2C3C40.4°0.3°
C1C2C3C7178.1°179.8°
C2C1C6C52.7°0.6°
C2C1C6N6176.4°179.8°
C6C1C2C31.2°0.6°
C6C1C2H2178.9°179.7°
C1C6C5C42.6°0.3°
C1C6C5N6173.8°179.6°
C1C6C5H5177.4°179.7°
C1C6N6C23139.2°154.9°
C1C6N6HN640.8°25.2°
F1C1C2C3179.7°180.0°
F1C1C2H20.3°0.3°
F1C1C6C5178.8°179.9°
F1C1C6N65.1°0.3°
C2C3C4C7177.6°180.0°
C2C3C4C50.5°0.0°
C2C3C4H4179.5°179.9°
C2C3C7O713.3°180.0°
C2C3C7O72170.9°0.0°
H2C2C3C4179.5°180.0°
H2C2C3C71.9°0.1°
C3C4C5H4180.0°180.0°
C3C4C5C61.1°0.0°
C3C4C5H5178.9°180.0°
C4C3C7O71179.1°0.0°
C4C3C7O726.7°180.0°
C7C3C4C5178.1°180.0°
C7C3C4H41.9°0.0°
C3C7O71O72174.3°180.0°
C3C7O72HO27180.0°180.0°
C4C5C6H5180.0°180.0°
C4C5C6N6176.4°180.0°
H4C4C5C6179.0°179.9°
H4C4C5H51.0°0.1°
C5C6N6C2347.3°24.8°
C5C6N6HN6132.7°155.2°
H5C5C6N63.6°0.0°
C6N6C23C22168.1°174.2°
C6N6C23HN6180.0°180.0°
C6N6C23O237.2°5.9°
O71C7O72HO276.0°0.0°
C9C8C17H8180.0°179.9°
C8C9C10C22179.7°180.0°
C8C9C10C113.7°0.1°
C8C9C10H10176.3°179.9°
C9C8C17C125.4°0.0°
C9C8C17C16176.9°179.8°
C8C9C22C2378.7°90.0°
C8C9C22O22150.9°30.0°
C8C9C22H2236.8°150.0°
C17C8C9C102.4°0.1°
C17C8C9C22177.3°179.9°
C8C17C12C112.1°0.1°
C8C17C12C13179.9°179.5°
C8C17C12C16171.3°179.8°
C8C17C16C15161.8°162.5°
C8C17C16C1878.7°42.2°
C8C17C16C1940.2°77.2°
H8C8C9C10177.6°180.0°
H8C8C9C222.7°0.0°
H8C8C17C12174.6°179.9°
H8C8C17C163.1°0.3°
C9C10C11H10180.0°180.0°
C9C10C11C127.0°0.1°
C9C10C11H11173.0°179.9°
C10C9C22C23101.5°90.0°
C10C9C22O2228.8°150.0°
C10C9C22H22142.9°30.0°
C22C9C10C11176.5°179.9°
C22C9C10H103.5°0.1°
C9C22C23O22132.1°120.0°
C9C22C23H22113.0°120.0°
C9C22O22H22112.7°120.0°
C9C22C23N6127.0°60.0°
C9C22C23O2357.2°120.1°
C9C22O22HO22180.0°60.0°
C10C11C12H11180.0°180.0°
C10C11C12C13174.0°179.6°
C10C11C12C173.9°0.0°
H10C10C11C12173.0°179.9°
H10C10C11H117.0°0.1°
C11C12C13C17177.8°179.6°
C11C12C13C14168.5°162.6°
C11C12C13C2051.0°42.4°
C11C12C13C2167.5°77.2°
C11C12C17C16173.4°179.7°
H11C11C12C136.0°0.4°
H11C11C12C17176.1°180.0°
C12C13C14C20118.2°120.2°
C12C13C14C21120.9°120.3°
C12C13C20C21117.1°119.5°
C12C13C14C1544.2°51.1°
C12C13C14H14181.1°170.8°
C12C13C14H142169.5°68.6°
C13C12C17C168.9°0.6°
C12C13C20H201180.0°59.6°
C12C13C20H20254.7°60.5°
C12C13C20H20354.7°179.5°
C12C13C21H211180.0°59.5°
C12C13C21H21254.8°179.5°
C12C13C21H21354.7°60.5°
C17C12C13C149.2°17.8°
C17C12C13C20126.8°138.0°
C17C12C13C21114.8°102.5°
C12C17C16C159.5°17.7°
C12C17C16C18110.1°138.0°
C12C17C16C19131.1°102.6°
C14C13C20C21123.0°119.5°
C13C14C15H141125.2°119.7°
C13C14C15H142125.3°119.8°
C13C14H141H142117.7°120.5°
C13C14C15C1664.3°69.9°
C13C14C15H151170.5°49.8°
C13C14C15H15261.0°170.3°
C14C13C20H20160.2°179.4°
C14C13C20H20265.1°60.5°
C14C13C20H203174.6°59.5°
C14C13C21H21157.3°179.5°
C14C13C21H212177.5°59.5°
C14C13C21H21368.0°60.5°
C20C13C14C15162.3°171.4°
C20C13C14H14137.1°68.9°
C20C13C14H14272.3°51.6°
C13C20H201H202125.3°120.0°
C13C20H201H203125.3°119.9°
C13C20H202H203118.6°120.0°
C20C13C21H21162.4°60.0°
C20C13C21H21262.8°60.0°
C20C13C21H213172.3°180.0°
C21C13C14C1576.7°69.1°
C21C13C14H141158.0°50.6°
C21C13C14H14248.6°171.1°
C21C13C20H20162.9°60.0°
C21C13C20H202171.9°180.0°
C21C13C20H20362.4°60.0°
C13C21H211H212125.2°120.0°
C13C21H211H213125.3°120.0°
C13C21H212H213118.9°120.0°
C15C14H141H142117.8°120.6°
C14C15C16H151125.2°119.7°
C14C15C16H152125.2°119.8°
C14C15H151H152117.2°120.6°
C14C15C16C1745.1°51.1°
C14C15C16C1872.5°171.3°
C14C15C16C19169.0°69.2°
H141C14C15C1661.0°170.4°
H141C14C15H15164.3°69.9°
H141C14C15H152173.7°50.6°
H142C14C15C16170.5°49.9°
H142C14C15H15145.2°169.5°
H142C14C15H15264.2°69.9°
C16C15H151H152117.4°120.5°
C15C16C17C18119.6°120.3°
C15C16C17C19121.6°120.3°
C15C16C18C19118.3°119.4°
C15C16C18H181180.0°179.9°
C15C16C18H18254.8°60.0°
C15C16C18H18354.7°60.0°
C15C16C19H191180.0°180.0°
C15C16C19H19254.7°60.0°
C15C16C19H19354.7°60.0°
H151C15C16C17170.4°68.6°
H151C15C16C1852.7°51.6°
H151C15C16C1965.8°171.1°
H152C15C16C1780.1°170.8°
H152C15C16C18162.2°68.9°
H152C15C16C1943.7°50.6°
C17C16C18C19121.1°119.4°
C17C16C18H18159.3°58.9°
C17C16C18H18265.9°61.1°
C17C16C18H183175.3°178.9°
C17C16C19H19156.7°58.9°
C17C16C19H192178.0°178.9°
C17C16C19H19368.6°61.1°
C16C18H181H182125.2°120.1°
C16C18H181H183125.3°120.0°
C16C18H182H183118.0°120.0°
C18C16C19H19160.9°60.5°
C18C16C19H19264.4°59.5°
C18C16C19H193173.9°179.4°
C19C16C18H18161.8°60.5°
C19C16C18H182173.0°179.5°
C19C16C18H18363.6°59.5°
C16C19H191H192125.2°120.0°
C16C19H191H193125.2°120.0°
C16C19H192H193118.5°120.0°
H181C18H182H183118.1°120.0°
H191C19H192H193118.6°120.1°
H201C20H202H203118.5°120.1°
H211C21H212H213118.9°120.0°
C23C22O22H22116.0°120.0°
C22C23N6O23175.4°179.9°
C22C23N6HN611.9°5.8°
C23C22O22HO2248.7°59.9°
O22C22C23N65.0°180.0°
O22C22C23O23170.7°0.1°
H22C22C23N6120.0°60.0°
H22C22C23O2355.8°119.9°
H22C22O22HO2267.3°180.0°
O23C23N6HN6172.7°174.1°

223532

PDB entries from 2024-08-07

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