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JC3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O17C16doub1.22Å1.22Å
C14C13sing1.54Å1.56Å
C14C15sing1.51Å1.47Å
C16C15sing1.41Å1.50Å
C16N18sing1.35Å1.48Å
C13C12sing1.54Å1.54Å
C15C11doub1.36Å1.50Å
C19N18sing1.47Å1.45Å
N18C9sing1.36Å1.48Å
C12C11sing1.51Å1.47Å
C11N10sing1.33Å1.42Å
C9N10doub1.32Å1.48Å
C9N8sing1.37Å1.47Å
N8C6sing1.46Å1.49Å
C6C7sing1.53Å1.56Å
C6C5sing1.53Å1.45Å
C7N2sing1.47Å1.45Å
C5C4sing1.53Å1.44Å
N2C1sing1.47Å1.21Å
N2C3sing1.47Å1.44Å
C4C3sing1.53Å1.55Å
C4C20sing1.51Å1.58Å
C20C21doub1.38Å1.38ÅAromatic
C20C25sing1.38Å1.40ÅAromatic
C21C22sing1.38Å1.37ÅAromatic
C25C24doub1.38Å1.38ÅAromatic
C22C23doub1.38Å1.38ÅAromatic
C24C23sing1.38Å1.38ÅAromatic
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C21H211sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C1H012sing1.09Å1.10Å
C1H013sing1.09Å1.10Å
C1H011sing1.09Å1.10Å
C3H031sing1.09Å1.10Å
C3H032sing1.09Å1.10Å
C4H041sing1.09Å1.10Å
C5H051sing1.09Å1.10Å
C5H052sing1.09Å1.10Å
C6H061sing1.09Å1.10Å
C7H071sing1.09Å1.10Å
C7H072sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C19H193sing1.09Å1.10Å
C19H191sing1.09Å1.10Å
C19H192sing1.09Å1.10Å
C23H231sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
N8H081sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O17C16C15121.1°120.6°
O17C16N18123.4°120.6°
C13C14C15106.7°105.1°
C14C13C12103.0°102.1°
C14C13H131111.1°110.9°
C14C13H132111.1°111.1°
C13C14H142110.2°110.3°
C13C14H141110.2°110.4°
C14C15C16131.6°130.8°
C14C15C11106.9°110.2°
C15C14H142110.1°110.3°
C15C14H141110.2°110.3°
C15C16N18115.5°118.8°
C16C15C11121.5°119.0°
C16N18C19121.9°120.2°
C16N18C9122.7°119.6°
C13C12C11105.3°105.1°
C12C13H131111.0°110.8°
C12C13H132111.1°110.9°
C13C12H121110.5°110.3°
C13C12H122110.5°110.3°
C15C11C12109.9°110.0°
C15C11N10120.9°119.7°
C19N18C9115.4°120.2°
N18C19H193109.5°109.5°
N18C19H191109.4°109.5°
N18C19H192109.5°109.4°
N18C9N10119.7°121.1°
N18C9N8120.9°119.4°
C12C11N10129.2°130.3°
C11C12H121110.5°110.3°
C11C12H122110.5°110.3°
C11N10C9119.7°121.6°
N10C9N8119.4°119.4°
C9N8C6115.2°120.0°
C9N8H081122.4°120.0°
N8C6C7116.0°109.5°
N8C6C5106.1°109.5°
N8C6H061106.9°109.5°
C6N8H081122.4°120.0°
C7C6C5114.0°109.3°
C6C7N2114.7°109.5°
C7C6H061106.0°109.5°
C6C7H071108.1°109.5°
C6C7H072108.2°109.4°
C6C5C4106.2°109.1°
C6C5H051110.3°109.5°
C6C5H052110.3°109.6°
C5C6H061107.3°109.5°
C7N2C1111.6°111.0°
C7N2C3120.3°111.2°
N2C7H071108.1°109.5°
N2C7H072108.1°109.5°
C5C4C3111.2°109.3°
C5C4C20111.4°109.5°
C5C4H041109.2°109.6°
C4C5H051110.3°109.5°
C4C5H052110.3°109.5°
C1N2C3107.6°111.0°
N2C1H012109.5°109.4°
N2C1H013109.5°109.5°
N2C1H011109.5°109.5°
N2C3C4113.8°109.5°
N2C3H031108.4°109.5°
N2C3H032108.4°109.4°
C3C4C20109.9°109.5°
C4C3H031108.4°109.5°
C4C3H032108.3°109.5°
C3C4H041107.7°109.5°
C4C20C21119.5°120.0°
C4C20C25119.3°119.9°
C20C4H041107.3°109.5°
C21C20C25121.2°120.1°
C20C21C22119.3°120.0°
C20C21H211120.3°120.1°
C20C25C24119.2°119.9°
C20C25H251120.4°120.1°
C21C22C23119.6°120.0°
C22C21H211120.4°120.0°
C21C22H221120.2°120.0°
C25C24C23118.9°120.0°
C25C24H241120.5°120.0°
C24C25H251120.4°120.0°
C22C23C24121.8°120.0°
C23C22H221120.2°120.0°
C22C23H231119.1°120.0°
C23C24H241120.6°120.0°
C24C23H231119.1°120.0°
H131C13H132109.5°110.8°
H012C1H013109.5°109.4°
H012C1H011109.4°109.5°
H013C1H011109.5°109.5°
H031C3H032109.5°109.4°
H051C5H052109.5°109.5°
H071C7H072109.5°109.5°
H121C12H122109.5°110.4°
H142C14H141109.5°110.3°
H193C19H191109.5°109.5°
H193C19H192109.5°109.5°
H191C19H192109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O17C16C15C140.2°0.1°
O17C16C15N18179.2°179.9°
O17C16C15C11178.3°180.0°
O17C16N18C191.0°0.1°
O17C16N18C9178.7°180.0°
C13C14C15H142119.6°118.9°
C13C14C15H141119.6°119.0°
C13C14C15C16161.8°163.0°
C14C13C12H131119.0°118.1°
C14C13C12H132119.0°118.4°
C13C14C15C1116.8°17.0°
C14C13C12C1127.5°26.0°
C14C13H131H132123.0°123.8°
C14C13C12H12191.8°144.9°
C14C13C12H122146.8°92.9°
C13C14H142H141121.3°122.2°
C14C15C16C11178.5°179.9°
C14C15C16N18179.4°180.0°
C15C14C13C1227.5°25.9°
C14C15C11C121.0°0.1°
C14C15C11N10179.5°180.0°
C15C14C13H131146.4°144.0°
C15C14C13H13291.5°92.3°
C15C14H142H141121.3°122.1°
C15C16N18C19179.8°180.0°
C15C16N18C90.5°0.1°
C16C15C11C12179.8°180.0°
C16C15C11N100.7°0.0°
C16C15C14H14242.2°78.1°
C16C15C14H14178.6°44.0°
N18C16C15C110.9°0.1°
C16N18C19C9179.8°179.9°
C16N18C9N100.2°0.1°
C16N18C9N8179.3°179.9°
C16N18C19H193180.0°0.0°
C16N18C19H19160.0°120.0°
C16N18C19H19260.0°120.0°
C13C12C11C1518.5°17.1°
C13C12C11H121119.3°118.9°
C13C12C11H122119.3°118.8°
C13C12C11N10162.0°163.0°
C12C13H131H132123.0°123.5°
C13C12H121H122121.9°122.1°
C12C13C14H142147.0°93.0°
C12C13C14H14192.1°144.8°
C15C11C12N10179.5°179.9°
C15C11N10C90.0°0.1°
C15C11C12H121100.8°136.0°
C15C11C12H122137.8°101.8°
C11C15C14H142136.4°101.9°
C11C15C14H141102.8°135.9°
C19N18C9N10179.5°180.0°
C19N18C9N80.4°0.0°
N18C19H193H191120.0°120.0°
N18C19H193H192120.0°120.0°
N18C19H191H192120.0°119.9°
N18C9N10C110.5°0.1°
N18C9N10N8179.1°180.0°
N18C9N8C6178.4°180.0°
C9N18C19H1930.2°180.0°
C9N18C19H191119.8°59.9°
C9N18C19H192120.3°60.0°
N18C9N8H0811.6°0.0°
C12C11N10C9179.4°180.0°
C11C12C13H131146.5°144.1°
C11C12C13H13291.5°92.4°
C11C12H121H122121.9°122.2°
C11N10C9N8179.6°179.9°
N10C11C12H12178.6°44.1°
N10C11C12H12242.7°78.2°
N10C9N8C62.5°0.0°
N10C9N8H081177.5°180.0°
C9N8C6H081180.0°179.9°
C9N8C6C787.2°85.0°
C9N8C6C5145.1°155.2°
C9N8C6H06130.9°35.1°
N8C6C7C5123.7°120.0°
N8C6C7H061118.5°120.1°
N8C6C5H061114.0°120.1°
N8C6C7N2160.5°179.2°
N8C6C5C4170.1°177.6°
N8C6C5H05170.4°62.5°
N8C6C5H05250.6°57.7°
N8C6C7H07178.7°60.8°
N8C6C7H07239.8°59.2°
C7C6C5H061117.1°119.9°
C6C7N2H071120.8°120.0°
C6C7N2H072120.8°120.0°
C7C6C5C461.0°57.7°
C6C7N2C1145.5°174.2°
C6C7N2C318.0°61.7°
C7C6C5H05158.5°177.6°
C7C6C5H052179.6°62.3°
C6C7H071H072117.6°120.0°
C7C6N8H08192.8°95.0°
C5C6C7N236.8°59.2°
C6C5C4H051119.5°119.9°
C6C5C4H052119.5°120.0°
C6C5C4C366.7°57.7°
C6C5C4C20170.3°177.6°
C6C5C4H04152.0°62.3°
C6C5H051H052121.6°120.2°
C5C6C7H071157.5°179.2°
C5C6C7H07284.0°60.8°
C5C6N8H08134.9°24.8°
C7N2C1C3134.0°124.2°
C7N2C3C423.9°61.8°
C7N2C1H012180.0°64.0°
C7N2C1H01360.0°176.1°
C7N2C1H01160.0°56.0°
C7N2C3H031144.6°58.3°
C7N2C3H03296.7°178.2°
N2C7C6H06181.0°60.8°
N2C7H071H072117.6°120.0°
C5C4C3N249.1°59.2°
C5C4C3C20123.8°119.9°
C5C4C3H041119.6°120.0°
C5C4C20H041119.5°120.1°
C5C4C20C2141.0°120.2°
C5C4C20C25138.4°59.5°
C5C4C3H031169.8°60.8°
C5C4C3H03271.5°179.2°
C4C5H051H052121.5°120.2°
C4C5C6H06156.1°62.3°
C1N2C3C4153.2°174.1°
N2C1H012H013120.0°119.9°
N2C1H012H011120.0°120.0°
N2C1H013H011120.0°120.0°
C1N2C3H03186.1°65.8°
C1N2C3H03232.6°54.1°
C1N2C7H07193.7°54.1°
C1N2C7H07224.7°65.9°
N2C3C4H031120.7°120.1°
N2C3C4H032120.6°120.0°
N2C3C4C20173.0°179.2°
C3N2C1H01246.0°60.2°
C3N2C1H013166.0°59.7°
C3N2C1H01174.0°179.8°
N2C3H031H032118.0°119.9°
N2C3C4H04170.4°60.8°
C3N2C7H071138.8°178.2°
C3N2C7H072102.7°58.2°
C3C4C20H041116.8°120.1°
C3C4C20C2182.7°120.0°
C3C4C20C2597.9°60.3°
C4C3H031H032118.0°120.0°
C3C4C5H05152.8°177.5°
C3C4C5H052173.8°62.3°
C4C20C21C25179.4°179.7°
C4C20C21C22179.6°179.7°
C4C20C25C24179.0°179.8°
C4C20C21H2110.4°0.3°
C20C4C3H03166.4°59.1°
C20C4C3H03252.3°60.9°
C20C4C5H05170.2°62.5°
C20C4C5H05250.8°57.6°
C4C20C25H2511.0°0.3°
C20C21C22H211180.0°180.0°
C21C20C25C240.4°0.1°
C20C21C22C230.4°0.0°
C20C21C22H221179.6°180.0°
C21C20C4H041160.5°0.0°
C21C20C25H251179.6°180.0°
C25C20C21C220.1°0.0°
C20C25C24H251180.0°179.9°
C20C25C24C230.7°0.1°
C25C20C21H211179.9°180.0°
C20C25C24H241179.3°180.0°
C25C20C4H04119.0°179.6°
C21C22C23H221180.0°180.0°
C21C22C23C240.1°0.0°
C21C22C23H231179.9°179.9°
C25C24C23C220.4°0.1°
C25C24C23H241180.0°179.9°
C25C24C23H231179.5°179.9°
C22C23C24H231180.0°180.0°
C23C22C21H211179.6°180.0°
C22C23C24H241179.6°180.0°
C24C23C22H221179.9°180.0°
C23C24C25H251179.3°179.9°
H131C13C12H12127.2°97.0°
H131C13C12H12294.2°25.2°
H131C13C14H14294.0°25.2°
H131C13C14H14126.9°97.0°
H132C13C12H121149.2°26.5°
H132C13C12H12227.9°148.7°
H132C13C14H14228.1°148.8°
H132C13C14H141148.9°26.6°
H211C21C22H2210.4°0.0°
H221C22C23H2310.1°0.0°
H241C24C23H2310.5°0.0°
H241C24C25H2510.7°0.1°
H012C1H013H011120.0°120.0°
H031C3C4H04150.2°179.1°
H032C3C4H041168.9°59.2°
H041C4C5H051171.5°57.5°
H041C4C5H05267.5°177.7°
H051C5C6H061175.6°57.6°
H052C5C6H06163.4°177.8°
H061C6C7H07139.7°59.3°
H061C6C7H072158.2°179.3°
H061C6N8H081149.2°144.9°
H193C19H191H192120.0°120.0°

222415

PDB entries from 2024-07-10

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