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KR9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C39C38doub1.39Å1.40ÅAromatic
C39C40sing1.38Å1.39ÅAromatic
C38C37sing1.37Å1.39ÅAromatic
C40C35doub1.39Å1.41ÅAromatic
C37C36doub1.40Å1.41ÅAromatic
F20C19sing1.40Å1.36Å
O18C19sing1.43Å1.39Å
O18C17sing1.36Å1.41Å
C35C36sing1.41Å1.37ÅAromatic
C35N34sing1.38Å1.37ÅAromatic
C36C32sing1.47Å1.40ÅAromatic
C19F21sing1.40Å1.36Å
C19F22sing1.40Å1.35Å
C17C16doub1.38Å1.39ÅAromatic
C17C23sing1.39Å1.40ÅAromatic
C16C15sing1.39Å1.38ÅAromatic
N34C33sing1.37Å1.34ÅAromatic
C23C24doub1.38Å1.40ÅAromatic
C32C33doub1.34Å1.39ÅAromatic
C32C31sing1.51Å1.52Å
C15C14sing1.48Å1.53Å
C15C25doub1.40Å1.39ÅAromatic
C13N12doub1.32Å1.34ÅAromatic
C13C14sing1.38Å1.38ÅAromatic
N12C11sing1.31Å1.35ÅAromatic
C14C09doub1.42Å1.43ÅAromatic
C24C25sing1.39Å1.41ÅAromatic
C11C10doub1.40Å1.43ÅAromatic
C31C04sing1.53Å1.52Å
C09C10sing1.42Å1.36ÅAromatic
C09N08sing1.33Å1.37ÅAromatic
C25O26sing1.36Å1.41Å
C10C28sing1.41Å1.43ÅAromatic
N08C07doub1.32Å1.32ÅAromatic
C07C29sing1.40Å1.39ÅAromatic
C07C06sing1.48Å1.50Å
C28C29doub1.37Å1.40ÅAromatic
N05C06sing1.35Å1.44Å
N05C04sing1.46Å1.44Å
C06O30doub1.22Å1.20Å
O26C27sing1.43Å1.40Å
C04C03sing1.51Å1.55Å
O41C03doub1.21Å1.20Å
C03N02sing1.35Å1.45Å
N02C01sing1.47Å1.46Å
C01H011sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C04H041sing1.09Å1.10Å
C11H111sing1.08Å1.08Å
C13H131sing1.08Å1.08Å
C16H161sing1.08Å1.08Å
C23H231sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C27H272sing1.09Å1.10Å
C27H273sing1.09Å1.10Å
C27H271sing1.09Å1.10Å
C28H281sing1.08Å1.08Å
C29H291sing1.08Å1.08Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C33H331sing1.08Å1.08Å
C37H371sing1.08Å1.08Å
C38H381sing1.08Å1.08Å
C39H391sing1.08Å1.08Å
C40H401sing1.08Å1.08Å
N02H021sing0.97Å1.00Å
N05H051sing0.97Å1.00Å
N34H341sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C38C39C40121.0°120.7°
C39C38C37119.6°120.5°
C39C38H381120.2°119.8°
C38C39H391119.5°119.7°
C39C40C35119.3°119.7°
C40C39H391119.5°119.6°
C39C40H401120.4°120.1°
C38C37C36119.2°119.8°
C38C37H371120.4°120.1°
C37C38H381120.2°119.7°
C40C35C36119.8°119.4°
C40C35N34132.2°133.5°
C35C40H401120.3°120.1°
C37C36C35121.0°119.9°
C37C36C32132.0°134.0°
C36C37H371120.4°120.1°
F20C19O18110.4°109.5°
F20C19F21107.4°109.5°
F20C19F22110.9°109.5°
C19O18C17114.5°117.0°
O18C19F21112.7°109.5°
O18C19F22107.3°109.5°
O18C17C16117.8°119.9°
O18C17C23122.7°119.9°
C36C35N34108.0°107.1°
C35C36C32106.9°106.1°
C35N34C33110.3°109.8°
C35N34H341124.8°125.1°
C36C32C33107.8°106.9°
C36C32C31120.9°126.5°
F21C19F22108.1°109.5°
C16C17C23119.5°120.1°
C17C16C15120.8°119.9°
C17C16H161119.6°120.0°
C17C23C24119.7°120.3°
C17C23H231120.2°119.8°
C16C15C14121.1°120.2°
C16C15C25120.7°119.7°
C15C16H161119.6°120.1°
N34C33C32106.9°110.0°
N34C33H331126.5°125.0°
C33N34H341124.9°125.1°
C23C24C25120.2°120.2°
C24C23H231120.1°119.9°
C23C24H241119.9°119.9°
C33C32C31131.3°126.5°
C32C33H331126.5°125.0°
C32C31C04109.9°109.5°
C32C31H311109.4°109.5°
C32C31H312109.4°109.5°
C14C15C25118.2°120.1°
C15C14C13115.4°120.8°
C15C14C09123.9°120.8°
C15C25C24119.1°119.8°
C15C25O26117.5°120.1°
N12C13C14120.1°121.6°
C13N12C11121.6°122.9°
N12C13H131120.0°119.2°
C13C14C09120.6°118.5°
C14C13H131119.9°119.2°
N12C11C10120.0°120.3°
N12C11H111120.0°119.9°
C14C09C10117.7°117.8°
C14C09N08121.7°121.9°
C24C25O26123.4°120.1°
C25C24H241119.9°119.9°
C11C10C09119.8°119.0°
C11C10C28119.0°121.9°
C10C11H111120.0°119.9°
C31C04N05112.9°109.5°
C31C04C03108.7°109.5°
C31C04H041110.1°109.4°
C04C31H311109.3°109.4°
C04C31H312109.3°109.5°
C10C09N08120.4°120.2°
C09C10C28121.1°119.1°
C09N08C07119.6°121.2°
C25O26C27114.8°117.0°
C10C28C29116.5°118.1°
C10C28H281121.7°121.0°
N08C07C29123.0°121.5°
N08C07C06117.5°119.2°
C29C07C06118.7°119.3°
C07C29C28119.2°119.9°
C07C29H291120.4°120.0°
C07C06N05115.2°120.0°
C07C06O30121.3°120.0°
C29C28H281121.8°120.9°
C28C29H291120.4°120.1°
C06N05C04118.3°120.0°
N05C06O30122.6°120.0°
C06N05H051120.8°120.0°
N05C04C03104.1°109.5°
N05C04H041111.3°109.5°
C04N05H051120.9°120.0°
O26C27H272109.5°109.5°
O26C27H273109.5°109.5°
O26C27H271109.5°109.5°
C04C03O41120.2°120.0°
C04C03N02125.4°120.0°
C03C04H041109.6°109.5°
O41C03N02114.3°120.0°
C03N02C01116.9°120.0°
C03N02H021121.5°120.0°
N02C01H011109.5°109.5°
N02C01H013109.5°109.5°
N02C01H012109.5°109.5°
C01N02H021121.5°120.0°
H011C01H013109.4°109.5°
H011C01H012109.4°109.4°
H013C01H012109.5°109.5°
H272C27H273109.5°109.5°
H272C27H271109.4°109.5°
H273C27H271109.5°109.4°
H311C31H312109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C38C39C40H391180.0°180.0°
C39C38C37H381180.0°179.9°
C38C39C40C350.5°0.0°
C39C38C37C361.6°0.1°
C39C38C37H371178.4°180.0°
C38C39C40H401179.5°179.9°
C40C39C38C371.6°0.0°
C39C40C35H401180.0°179.9°
C39C40C35C360.7°0.0°
C39C40C35N34179.1°179.9°
C40C39C38H381178.4°180.0°
C38C37C36H371180.0°179.9°
C38C37C36C350.4°0.1°
C38C37C36C32179.7°179.6°
C37C38C39H391178.3°179.9°
C40C35C36C370.7°0.0°
C40C35C36N34178.8°179.9°
C40C35C36C32179.2°179.7°
C40C35N34C33179.1°179.5°
C35C40C39H391179.5°180.0°
C40C35N34H3410.9°0.1°
C37C36C35C32179.9°179.7°
C37C36C35N34179.5°179.9°
C37C36C32C33179.7°179.6°
C37C36C32C310.7°0.1°
C36C37C38H381178.4°180.0°
F20C19O18F21120.1°120.0°
F20C19O18F22121.0°120.0°
F20C19O18C17179.5°180.0°
F20C19F21F22119.8°120.0°
O18C19F21F22118.4°120.0°
C19O18C17C1693.1°180.0°
C19O18C17C2388.2°0.1°
C17O18C19F2160.4°59.9°
C17O18C19F2258.5°60.1°
O18C17C16C23178.8°179.9°
O18C17C16C15179.3°180.0°
O18C17C23C24179.3°180.0°
O18C17C16H1610.7°0.1°
O18C17C23H2310.7°0.1°
C36C35N34C330.5°0.4°
C35C36C32C330.2°0.0°
C35C36C32C31179.4°179.7°
C35C36C37H371179.6°180.0°
C36C35C40H401179.3°180.0°
C36C35N34H341179.5°180.0°
N34C35C36C320.4°0.2°
C35N34C33H341180.0°179.6°
C35N34C33C320.4°0.4°
C35N34C33H331179.6°179.6°
N34C35C40H4010.9°0.1°
C36C32C33N340.1°0.2°
C36C32C33C31179.5°179.7°
C36C32C31C04139.7°86.7°
C36C32C31H311100.2°33.3°
C36C32C31H31219.6°153.2°
C36C32C33H331179.8°179.7°
C32C36C37H3710.3°0.4°
C17C16C15H161180.0°179.9°
C16C17C23C240.6°0.1°
C17C16C15C14179.7°180.0°
C17C16C15C251.2°0.4°
C16C17C23H231179.5°180.0°
C23C17C16C150.6°0.1°
C17C23C24H231180.0°179.9°
C17C23C24C251.2°0.4°
C23C17C16H161179.4°180.0°
C17C23C24H241178.8°180.0°
C16C15C14C25178.6°179.7°
C16C15C14C13125.9°65.4°
C16C15C14C0957.1°113.9°
C16C15C25C241.8°0.6°
C16C15C25O26179.5°179.7°
N34C33C32H331180.0°179.9°
N34C33C32C31179.6°179.9°
C23C24C25C151.8°0.6°
C23C24C25H241180.0°179.7°
C23C24C25O26179.6°179.7°
C33C32C31C0439.7°93.0°
C33C32C31H31180.3°147.0°
C33C32C31H312159.8°27.1°
C32C33N34H341179.6°180.0°
C32C31C04H311120.1°120.0°
C32C31C04H312120.1°120.1°
C32C31C04N0585.1°63.4°
C32C31C04C03159.9°176.6°
C32C31C04H04139.9°56.6°
C32C31H311H312119.8°120.0°
C31C32C33H3310.4°0.0°
C15C14C13N12179.8°180.0°
C15C14C13C09177.1°179.3°
C14C15C25C24179.7°179.7°
C15C14C09C10179.0°179.4°
C15C14C09N083.5°0.4°
C14C15C25O261.0°0.0°
C15C14C13H1310.2°1.0°
C14C15C16H1610.3°0.1°
C25C15C14C1352.7°114.9°
C25C15C14C09124.3°65.7°
C15C25C24O26178.6°179.7°
C15C25O26C27175.2°175.2°
C25C15C16H161178.8°179.8°
C15C25C24H241178.2°179.7°
N12C13C14H131180.0°179.0°
N12C13C14C092.7°0.6°
C13N12C11C101.8°0.6°
C13N12C11H111178.2°179.4°
C14C13N12C111.5°0.9°
C13C14C09C104.2°0.1°
C13C14C09N08179.7°179.7°
N12C11C10H111180.0°180.0°
N12C11C10C093.4°0.0°
N12C11C10C28179.6°179.7°
C11N12C13H131178.5°179.9°
C14C09C10C114.5°0.2°
C14C09C10N08175.5°179.8°
C14C09C10C28178.6°180.0°
C14C09N08C07175.3°179.8°
C09C14C13H131177.3°179.7°
C24C25O26C276.1°5.1°
C25C24C23H231178.8°179.7°
C11C10C09C28176.9°179.7°
C11C10C09N08180.0°180.0°
C11C10C28C29179.1°179.8°
C11C10C28H2810.9°0.3°
C31C04N05C06119.9°157.4°
C31C04N05C03117.7°120.0°
C31C04N05H041124.4°119.9°
C31C04C03H041120.3°119.9°
C31C04C03O4185.7°120.1°
C31C04C03N0291.9°60.0°
C04C31H311H312119.8°120.0°
C31C04N05H05160.1°22.7°
C10C09N08C070.0°0.0°
C09C10C28C292.2°0.5°
C09C10C11H111176.5°180.0°
C09C10C28H281177.8°180.0°
N08C09C10C283.1°0.2°
C09N08C07C294.0°0.0°
C09N08C07C06173.8°179.7°
O26C25C24H2410.4°0.0°
C25O26C27H272180.0°175.8°
C25O26C27H27360.0°55.8°
C25O26C27H27160.0°64.2°
C10C28C29C071.6°0.5°
C10C28C29H281180.0°179.5°
C28C10C11H1110.4°0.3°
C10C28C29H291178.4°179.5°
N08C07C29C06169.6°179.8°
N08C07C29C284.8°0.2°
N08C07C06N058.2°175.2°
N08C07C06O30161.7°4.9°
N08C07C29H291175.2°179.8°
C07C29C28H291180.0°180.0°
C29C07C06N05178.4°5.0°
C29C07C06O308.5°174.9°
C07C29C28H281178.4°180.0°
C06C07C29C28174.4°180.0°
C07C06N05O30169.8°179.9°
C07C06N05C04172.5°174.6°
C06C07C29H2915.5°0.0°
C07C06N05H0517.5°5.3°
C06N05C04H051180.0°179.9°
C06N05C04C03122.4°82.6°
C06N05C04H0414.5°37.5°
C04N05C06O302.7°5.5°
N05C04C03H041119.1°120.0°
N05C04C03O4134.9°0.1°
N05C04C03N02147.5°180.0°
N05C04C31H311154.8°56.6°
N05C04C31H31234.9°176.5°
O30C06N05H051177.3°174.7°
O26C27H272H273120.0°120.0°
O26C27H272H271120.0°120.0°
O26C27H273H271120.0°120.0°
C04C03O41N02177.8°179.9°
C04C03N02C01176.9°180.0°
C03C04C31H31139.8°63.5°
C03C04C31H31280.0°56.5°
C04C03N02H0213.1°0.0°
C03C04N05H05157.6°97.3°
O41C03N02C010.8°0.0°
O41C03C04H041154.0°120.0°
O41C03N02H021179.2°180.0°
C03N02C01H021180.0°180.0°
C03N02C01H011180.0°180.0°
C03N02C01H01360.0°60.0°
C03N02C01H01260.0°60.0°
N02C03C04H04128.4°60.0°
N02C01H011H013120.0°120.0°
N02C01H011H012120.0°120.0°
N02C01H013H012120.0°120.0°
H011C01H013H012120.0°120.0°
H011C01N02H0210.0°0.0°
H013C01N02H021120.0°120.0°
H012C01N02H021120.0°120.0°
H041C04C31H31180.2°176.6°
H041C04C31H312159.9°63.5°
H041C04N05H051175.5°142.7°
H231C23C24H2411.2°0.1°
H272C27H273H271120.0°120.0°
H281C28C29H2911.6°0.1°
H331C33N34H3410.4°0.1°
H371C37C38H3811.6°0.1°
H381C38C39H3911.7°0.0°
H391C39C40H4010.5°0.1°

223532

PDB entries from 2024-08-07

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