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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C12C11sing1.53Å1.49Å
C12C13sing1.53Å1.51Å
C11C10sing1.53Å1.55Å
C13C14sing1.53Å1.52Å
C10C09sing1.53Å1.51Å
C14C09sing1.53Å1.52Å
C09C08sing1.53Å1.53Å
C02C01sing1.53Å1.53Å
C02C03sing1.53Å1.53Å
C04C03sing1.53Å1.53Å
C04N05sing1.46Å1.45Å
C08C07sing1.53Å1.53Å
C07C06sing1.51Å1.53Å
C03N16sing1.46Å1.45Å
N05C06sing1.35Å1.45Å
C06O15doub1.21Å1.18Å
N16C17sing1.38Å1.45Å
C17C22doub1.41Å1.42ÅAromatic
C17N18sing1.33Å1.33ÅAromatic
C23C22sing1.41Å1.44ÅAromatic
C23N24doub1.30Å1.32ÅAromatic
C22C21sing1.41Å1.38ÅAromatic
N18C19doub1.32Å1.33ÅAromatic
N24N25sing1.40Å1.34ÅAromatic
C21N25sing1.36Å1.35ÅAromatic
C21N20doub1.33Å1.35ÅAromatic
C19N20sing1.32Å1.32ÅAromatic
C14H142sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C19H191sing1.08Å1.08Å
C01H013sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C02H022sing1.09Å1.10Å
C02H021sing1.09Å1.10Å
C03H031sing1.09Å1.10Å
C04H042sing1.09Å1.10Å
C04H041sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
C07H072sing1.09Å1.10Å
C08H081sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C23H231sing1.08Å1.08Å
N05H051sing0.97Å1.00Å
N16H161sing0.97Å1.00Å
N25H251sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C12C13111.6°109.5°
C12C11C10113.5°109.5°
C11C12H121108.9°109.5°
C11C12H122108.9°109.4°
C12C11H111108.5°109.5°
C12C11H112108.4°109.5°
C12C13C14111.2°109.5°
C12C13H132109.0°109.5°
C12C13H131109.1°109.5°
C13C12H121108.9°109.5°
C13C12H122109.0°109.5°
C11C10C09110.3°109.5°
C10C11H111108.5°109.5°
C10C11H112108.5°109.5°
C11C10H102109.3°109.5°
C11C10H101109.3°109.5°
C13C14C09109.0°109.5°
C13C14H142109.6°109.5°
C13C14H141109.6°109.4°
C14C13H132109.1°109.5°
C14C13H131109.0°109.4°
C10C09C14108.1°109.5°
C10C09C08110.9°109.5°
C09C10H102109.3°109.4°
C09C10H101109.3°109.5°
C10C09H091108.7°109.4°
C14C09C08112.1°109.5°
C09C14H142109.6°109.5°
C09C14H141109.6°109.4°
C14C09H091108.6°109.5°
C09C08C07114.1°109.5°
C09C08H081108.3°109.5°
C09C08H082108.3°109.5°
C08C09H091108.4°109.5°
C01C02C03112.6°109.5°
C02C01H013109.5°109.5°
C02C01H011109.5°109.5°
C02C01H012109.5°109.5°
C01C02H022108.7°109.5°
C01C02H021108.7°109.5°
C02C03C04109.6°109.5°
C02C03N16108.6°109.5°
C03C02H022108.7°109.4°
C03C02H021108.7°109.5°
C02C03H031109.4°109.5°
C03C04N05110.0°109.5°
C04C03N16109.3°109.4°
C04C03H031109.4°109.5°
C03C04H042109.4°109.5°
C03C04H041109.4°109.4°
C04N05C06123.4°120.0°
N05C04H042109.4°109.5°
N05C04H041109.3°109.5°
C04N05H051118.3°120.0°
C08C07C06111.7°109.5°
C08C07H071108.9°109.5°
C08C07H072108.9°109.4°
C07C08H081108.3°109.5°
C07C08H082108.3°109.4°
C07C06N05121.4°120.0°
C07C06O15120.1°120.0°
C06C07H071108.9°109.5°
C06C07H072108.9°109.5°
C03N16C17121.8°120.0°
N16C03H031110.5°109.5°
C03N16H161106.3°120.0°
N05C06O15118.4°120.0°
C06N05H051118.3°120.0°
N16C17C22121.1°120.8°
N16C17N18119.8°120.8°
C17N16H161106.3°120.0°
C22C17N18119.0°118.3°
C17C22C23136.5°134.7°
C17C22C21118.2°118.3°
C17N18C19120.8°121.3°
C22C23N24108.4°108.4°
C23C22C21105.3°107.1°
C22C23H231125.8°125.8°
C23N24N25108.1°109.8°
N24C23H231125.8°125.8°
C22C21N25107.0°106.6°
C22C21N20119.1°118.9°
N18C19N20122.2°122.6°
N18C19H191118.9°118.7°
N24N25C21111.2°108.2°
N24N25H251124.4°125.9°
N25C21N20134.0°134.6°
C21N25H251124.4°125.9°
C21N20C19120.6°120.6°
N20C19H191118.9°118.7°
H142C14H141109.5°109.5°
H132C13H131109.5°109.5°
H121C12H122109.5°109.5°
H111C11H112109.5°109.4°
H102C10H101109.5°109.5°
H013C01H011109.5°109.4°
H013C01H012109.5°109.5°
H011C01H012109.5°109.4°
H022C02H021109.5°109.4°
H042C04H041109.4°109.5°
H071C07H072109.5°109.4°
H081C08H082109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C12C13H121120.3°120.0°
C11C12C13H122120.3°120.0°
C12C11C10H111120.6°120.0°
C12C11C10H112120.6°120.0°
C11C12C13C1422.8°60.0°
C12C11C10C0927.0°60.0°
C11C12C13H132143.1°180.0°
C11C12C13H13197.4°60.0°
C11C12H121H122119.0°120.0°
C12C11H111H112118.1°120.0°
C12C11C10H102147.1°60.0°
C12C11C10H10193.2°180.0°
C13C12C11C1059.4°60.0°
C12C13C14H132120.3°120.0°
C12C13C14H131120.3°120.0°
C12C13C14C0940.4°59.9°
C12C13C14H142160.3°180.0°
C12C13C14H14179.5°60.0°
C12C13H132H131119.2°120.0°
C13C12H121H122119.1°120.0°
C13C12C11H11161.3°180.0°
C13C12C11H112180.0°60.0°
C11C10C09H102120.1°120.0°
C11C10C09H101120.1°120.0°
C11C10C09C1436.2°60.0°
C11C10C09C08159.4°180.0°
C10C11C12H12161.0°60.0°
C10C11C12H122179.7°180.0°
C10C11H111H112118.2°120.0°
C11C10H102H101119.6°120.0°
C11C10C09H09181.5°60.0°
C13C14C09C1073.0°59.9°
C13C14C09H142119.9°120.1°
C13C14C09H141119.9°119.9°
C13C14C09C08164.4°179.9°
C13C14H142H141120.2°120.0°
C14C13H132H131119.2°119.9°
C14C13C12H12197.5°60.0°
C14C13C12H122143.1°180.0°
C13C14C09H09144.7°60.0°
C10C09C14C08122.5°120.0°
C10C09C14H091117.7°120.0°
C10C09C08H091119.2°120.0°
C10C09C08C0774.7°65.0°
C10C09C14H142167.0°180.0°
C10C09C14H14146.9°60.0°
C09C10C11H11193.6°180.0°
C09C10C11H112147.6°60.0°
C09C10H102H101119.6°120.0°
C10C09C08H08146.0°55.0°
C10C09C08H082164.6°175.0°
C14C09C08H091119.9°120.0°
C14C09C08C0746.2°174.9°
C09C14H142H141120.2°120.0°
C09C14C13H13279.8°180.0°
C09C14C13H131160.7°60.1°
C14C09C10H10284.0°60.0°
C14C09C10H101156.3°180.0°
C14C09C08H081166.9°65.1°
C14C09C08H08274.5°55.0°
C09C08C07H081120.7°120.0°
C09C08C07H082120.7°120.0°
C09C08C07C06102.9°180.0°
C08C09C14H14244.5°60.0°
C08C09C14H14175.6°60.1°
C08C09C10H10239.3°60.0°
C08C09C10H10180.4°60.0°
C09C08C07H07117.5°59.9°
C09C08C07H072136.8°60.0°
C09C08H081H082117.9°120.0°
C01C02C03H022120.5°120.0°
C01C02C03H021120.5°120.0°
C01C02C03C04166.0°175.0°
C01C02C03N1674.7°65.0°
C02C01H013H011120.0°120.0°
C02C01H013H012120.0°120.0°
C02C01H011H012120.0°120.0°
C01C02H022H021118.6°120.1°
C01C02C03H03146.0°55.0°
C02C03C04N16118.9°120.0°
C02C03C04H031120.0°120.0°
C02C03C04N05177.6°175.0°
C02C03N16H031120.0°120.0°
C02C03N16C17134.7°85.0°
C03C02C01H013180.0°60.0°
C03C02C01H01160.0°60.0°
C03C02C01H01260.0°180.0°
C03C02H022H021118.6°119.9°
C02C03C04H04262.3°55.0°
C02C03C04H04157.5°65.0°
C02C03N16H16113.0°95.0°
C03C04N05H042120.1°120.0°
C03C04N05H041120.1°120.0°
C04C03N16H031120.5°120.0°
C03C04N05C0698.9°180.0°
C04C03N16C17105.8°155.0°
C04C03C02H02273.5°65.0°
C04C03C02H02145.6°55.0°
C03C04H042H041119.8°120.0°
C03C04N05H05181.1°0.0°
C04C03N16H161132.5°25.0°
C04N05C06C070.1°180.0°
N05C04C03N1663.6°55.0°
C04N05C06H051180.0°180.0°
C04N05C06O15179.9°0.0°
N05C04C03H03157.5°65.0°
N05C04H042H041119.7°120.0°
C08C07C06H071120.3°120.0°
C08C07C06H072120.3°120.0°
C08C07C06N05157.0°180.0°
C08C07C06O1523.2°0.0°
C08C07H071H072119.0°119.9°
C07C08H081H082117.9°120.0°
C07C08C09H091166.1°55.0°
C07C06N05O15179.8°180.0°
C06C07H071H072119.0°120.0°
C06C07C08H081136.4°60.0°
C06C07C08H08217.8°60.1°
C07C06N05H051179.9°0.0°
C03N16C17H161121.7°180.0°
C03N16C17C22174.2°180.0°
C03N16C17N185.5°0.3°
N16C03C02H02245.8°55.0°
N16C03C02H021164.8°175.0°
N16C03C04H04256.5°65.0°
N16C03C04H041176.4°175.0°
C06N05C04H04221.2°60.0°
C06N05C04H041141.0°60.0°
N05C06C07H07136.7°60.0°
N05C06C07H07282.7°60.0°
O15C06C07H071143.5°120.0°
O15C06C07H07297.1°120.0°
O15C06N05H0510.1°180.0°
N16C17C22N18179.8°179.7°
N16C17C22C230.1°0.3°
N16C17C22C21179.6°179.7°
N16C17N18C19179.8°179.7°
C17N16C03H03114.6°35.0°
C17C22C23C21179.6°180.0°
C17C22C23N24179.7°180.0°
C22C17N18C190.1°0.0°
C17C22C21N25179.8°180.0°
C17C22C21N200.2°0.1°
C17C22C23H2310.3°0.1°
C22C17N16H16152.5°0.0°
N18C17C22C23179.7°180.0°
N18C17C22C210.1°0.0°
C17N18C19N200.2°0.0°
C17N18C19H191179.8°180.0°
N18C17N16H161127.2°179.7°
C22C23N24H231180.0°179.9°
C22C23N24N250.1°0.0°
C23C22C21N250.1°0.0°
C23C22C21N20179.8°180.0°
N24C23C22C210.1°0.0°
C23N24N25C210.0°0.0°
C23N24N25H251180.0°179.9°
C22C21N25N240.1°0.0°
C22C21N25N20180.0°179.9°
C22C21N20C190.0°0.1°
C21C22C23H231179.9°179.9°
C22C21N25H251179.9°179.9°
N18C19N20C210.2°0.1°
N18C19N20H191180.0°180.0°
N24N25C21H251180.0°179.9°
N24N25C21N20179.9°179.9°
N25N24C23H231179.9°179.9°
N25C21N20C19180.0°180.0°
C21N20C19H191179.8°180.0°
N20C21N25H2510.1°0.0°
H142C14C13H13240.1°60.0°
H142C14C13H13179.4°60.0°
H142C14C09H09175.2°60.0°
H141C14C13H132160.2°60.0°
H141C14C13H13140.8°180.0°
H141C14C09H091164.6°179.9°
H132C13C12H12122.8°60.0°
H132C13C12H12296.6°60.0°
H131C13C12H121142.2°180.0°
H131C13C12H12222.9°60.0°
H121C12C11H111178.4°60.0°
H121C12C11H11259.7°179.9°
H122C12C11H11159.1°60.0°
H122C12C11H11259.7°60.0°
H111C11C10H10226.5°60.1°
H111C11C10H101146.2°60.0°
H112C11C10H10292.3°NaN°
H112C11C10H10127.4°60.0°
H102C10C09H091158.4°180.0°
H101C10C09H09138.6°60.0°
H013C01H011H012120.0°119.9°
H013C01C02H02259.5°60.0°
H013C01C02H02159.6°180.0°
H011C01C02H02260.5°180.0°
H011C01C02H021179.5°60.0°
H012C01C02H022179.5°60.0°
H012C01C02H02160.5°60.0°
H022C02C03H031166.4°175.0°
H021C02C03H03174.5°65.0°
H031C03C04H042177.6°175.0°
H031C03C04H04162.5°55.0°
H031C03N16H161107.1°145.0°
H042C04N05H051158.8°120.0°
H041C04N05H05139.0°120.0°
H071C07C08H081103.3°179.9°
H071C07C08H082138.1°60.0°
H072C07C08H08116.1°60.0°
H072C07C08H082102.5°180.0°
H081C08C09H09173.3°174.9°
H082C08C09H09145.4°65.0°

248636

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