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W6S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N11N10sing1.40Å1.36ÅAromatic
N11C01sing1.35Å1.34ÅAromatic
N10C03doub1.31Å1.32ÅAromatic
C01C02doub1.35Å1.37ÅAromatic
C09C08sing1.53Å1.53Å
C09C04sing1.53Å1.48Å
C03C02sing1.40Å1.39ÅAromatic
C03C04sing1.51Å1.54Å
C08N07sing1.47Å1.50Å
C04C05sing1.53Å1.48Å
C05C06sing1.53Å1.53Å
N07C06sing1.47Å1.48Å
C01H011sing1.08Å1.08Å
C02H021sing1.08Å1.08Å
C04H041sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C06H061sing1.09Å1.10Å
C06H062sing1.09Å1.10Å
C08H082sing1.09Å1.10Å
C08H081sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
N07H1sing1.01Å1.00Å
N11H111sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N10N11C01110.4°107.9°
N11N10C03107.2°108.2°
N10N11H111124.8°126.1°
N11C01C02107.0°107.7°
N11C01H011126.5°126.1°
C01N11H111124.8°126.0°
N10C03C02108.9°108.2°
N10C03C04130.4°125.9°
C01C02C03106.4°107.9°
C02C01H011126.5°126.1°
C01C02H021126.8°126.0°
C08C09C04113.0°109.3°
C09C08N07115.4°109.6°
C09C08H082108.0°109.4°
C09C08H081107.9°109.5°
C08C09H092108.6°109.6°
C08C09H091108.6°109.5°
C09C04C03111.2°109.5°
C09C04C05113.6°109.1°
C09C04H041106.9°109.6°
C04C09H092108.6°109.5°
C04C09H091108.6°109.5°
C02C03C04120.7°125.9°
C03C02H021126.8°126.1°
C03C04C05111.2°109.5°
C03C04H041106.3°109.5°
C08N07C06113.2°111.2°
N07C08H082107.9°109.5°
N07C08H081108.0°109.5°
C08N07H1108.6°111.1°
C04C05C06107.3°109.3°
C05C04H041107.0°109.5°
C04C05H051110.0°109.5°
C04C05H052110.0°109.5°
C05C06N07114.9°109.5°
C06C05H051110.0°109.6°
C06C05H052110.0°109.5°
C05C06H061108.1°109.4°
C05C06H062108.1°109.4°
N07C06H061108.1°109.5°
N07C06H062108.1°109.5°
C06N07H1108.5°110.9°
H051C05H052109.5°109.5°
H061C06H062109.5°109.5°
H082C08H081109.5°109.4°
H092C09H091109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N10N11C01H111180.0°179.5°
N10N11C01C021.2°0.4°
N11N10C03C020.1°0.3°
N11N10C03C04179.6°179.7°
N10N11C01H011178.8°179.9°
C01N11N10C030.8°0.4°
N11C01C02H011180.0°179.7°
N11C01C02C031.1°0.2°
N11C01C02H021178.9°179.7°
N10C03C02C010.6°0.0°
N10C03C04C0975.6°145.4°
N10C03C02C04179.8°180.0°
N10C03C04C0552.2°95.0°
N10C03C02H021179.4°179.9°
N10C03C04H041168.3°25.2°
C03N10N11H111179.2°179.9°
C01C02C03H021180.0°179.9°
C01C02C03C04179.7°179.9°
C02C01N11H111178.8°179.9°
C08C09C04H092120.5°120.0°
C08C09C04H091120.5°119.9°
C08C09C04C03145.3°177.5°
C09C08N07H082120.9°120.0°
C09C08N07H081120.8°120.1°
C08C09C04C0518.8°57.6°
C09C08N07C0642.9°61.7°
C08C09C04H04199.1°62.3°
C09C08H082H081117.3°120.0°
C08C09H092H091118.4°120.1°
C09C08N07H177.6°174.2°
C09C04C03C02104.1°34.7°
C09C04C03C05127.7°119.7°
C09C04C03H041116.1°120.2°
C04C09C08N0734.9°59.1°
C09C04C05H041117.8°119.9°
C09C04C05C0662.1°57.7°
C09C04C05H05157.5°62.3°
C09C04C05H052178.2°177.6°
C04C09C08H082155.7°60.9°
C04C09C08H08186.0°179.2°
C04C09H092H091118.4°120.1°
C02C03C04C05128.1°85.0°
C03C02C01H011178.9°179.9°
C02C03C04H04111.9°154.9°
C03C04C05H041115.8°120.2°
C03C04C05C06171.5°177.6°
C04C03C02H0210.4°0.0°
C03C04C05H05168.9°57.6°
C03C04C05H05251.8°62.5°
C03C04C09H09224.7°62.4°
C03C04C09H09194.2°57.6°
C08N07C06C052.1°61.7°
C08N07C06H1120.6°124.1°
C08N07C06H061122.9°178.3°
C08N07C06H062118.7°58.2°
N07C08H082H081117.3°119.9°
N07C08C09H092155.4°179.1°
N07C08C09H09185.7°60.8°
C04C05C06H051119.7°120.0°
C04C05C06H052119.7°119.9°
C04C05C06N0753.5°59.2°
C04C05H051H052121.0°120.1°
C04C05C06H061174.3°179.2°
C04C05C06H06267.3°60.8°
C05C04C09H092101.7°177.6°
C05C04C09H091139.3°62.3°
C05C06N07H061120.8°120.0°
C05C06N07H062120.8°120.0°
C06C05C04H04155.7°62.3°
C06C05H051H052121.0°120.1°
C05C06H061H062117.5°120.0°
C05C06N07H1122.7°174.1°
N07C06C05H05166.1°60.8°
N07C06C05H052173.2°179.1°
N07C06H061H062117.5°120.0°
C06N07C08H082163.8°58.3°
C06N07C08H08177.9°178.2°
H011C01C02H0211.1°0.0°
H011C01N11H1111.2°0.4°
H041C04C05H051175.4°177.7°
H041C04C05H05264.0°57.7°
H041C04C09H092140.4°57.7°
H041C04C09H09121.5°177.8°
H051C05C06H06154.7°59.2°
H051C05C06H062173.1°179.2°
H052C05C06H06166.0°60.9°
H052C05C06H06252.4°59.1°
H061C06N07H1116.5°54.2°
H062C06N07H11.9°65.9°
H082C08C09H09283.7°59.1°
H082C08C09H09135.2°179.2°
H082C08N07H143.3°65.8°
H081C08C09H09234.6°60.8°
H081C08C09H091153.5°59.3°
H081C08N07H1161.6°54.1°

246704

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