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666

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.44ÅAromatic
C1C6sing1.38Å1.46ÅAromatic
C1H1sing1.08Å1.10Å
C2C3sing1.38Å1.46ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.38Å1.45ÅAromatic
C3C11sing1.51Å1.54Å
C4C5sing1.38Å1.48ÅAromatic
C4H4sing1.08Å1.10Å
C5C6doub1.38Å1.44ÅAromatic
C5I54sing2.10Å2.16Å
C6H6sing1.08Å1.10Å
C11C12sing1.51Å1.54Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C12C15doub1.35Å1.35Å
C12C19sing1.40Å1.58Å
C15C16sing1.51Å1.56Å
C15N26sing1.36Å1.49Å
C16C17sing1.53Å1.59Å
C16H161sing1.09Å1.12Å
C16H162sing1.09Å1.11Å
C17C18sing1.53Å1.71Å
C17H171sing1.09Å1.12Å
C17H172sing1.09Å1.11Å
C18C19sing1.51Å1.55Å
C18H181sing1.09Å1.12Å
C18H182sing1.09Å1.11Å
C19O45doub1.22Å1.20Å
N26C27sing1.40Å1.35Å
N26H26sing0.97Å1.02Å
C27C28doub1.39Å1.42ÅAromatic
C27C32sing1.39Å1.44ÅAromatic
C28C29sing1.38Å1.39ÅAromatic
C28H28sing1.08Å1.10Å
C29C30doub1.40Å1.43ÅAromatic
C29H29sing1.08Å1.10Å
C30C31sing1.40Å1.44ÅAromatic
C30C37sing1.47Å1.46Å
C31C32doub1.38Å1.44ÅAromatic
C31H31sing1.08Å1.10Å
C32H32sing1.08Å1.10Å
C37N38doub1.29Å1.38Å
C37C42sing1.51Å1.58Å
N38N39sing1.40Å1.27Å
N39C40sing1.35Å1.37Å
N39H39sing0.97Å1.02Å
C40C41sing1.51Å1.54Å
C40O46doub1.21Å1.18Å
C41C42sing1.53Å1.55Å
C41H411sing1.09Å1.11Å
C41H412sing1.09Å1.12Å
C42C47sing1.53Å1.57Å
C42H42sing1.09Å1.11Å
C47H471sing1.09Å1.12Å
C47H472sing1.09Å1.11Å
C47H473sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6120.2°120.0°
C2C1H1119.2°120.0°
C1C2C3121.2°120.0°
C1C2H2118.5°120.0°
C6C1H1120.6°120.0°
C1C6C5121.1°120.0°
C1C6H6120.1°120.0°
C3C2H2120.3°120.0°
C2C3C4117.8°120.0°
C2C3C11120.5°120.0°
C4C3C11121.6°120.0°
C3C4C5121.9°120.0°
C3C4H4118.1°120.0°
C3C11C12112.8°109.4°
C3C11H111111.0°109.5°
C3C11H112111.0°109.4°
C5C4H4120.1°120.1°
C4C5C6117.8°120.0°
C4C5I54121.4°120.0°
C6C5I54120.7°120.0°
C5C6H6118.8°120.0°
C12C11H111111.0°109.5°
C12C11H112111.0°109.5°
C11C12C15126.6°119.2°
C11C12C19104.3°119.2°
H111C11H11299.3°109.6°
C15C12C19114.3°121.6°
C12C15C16124.0°121.2°
C12C15N26112.9°119.4°
C12C19C18116.6°120.6°
C12C19O45124.5°119.7°
C16C15N26123.2°119.4°
C15C16C17111.5°109.3°
C15C16H161111.4°109.8°
C15C16H162111.4°109.3°
C15N26C27135.7°120.0°
C15N26H26103.2°120.0°
C17C16H161111.4°109.5°
C17C16H162111.4°109.4°
C16C17C18103.7°108.7°
C16C17H171114.4°109.8°
C16C17H172114.4°109.6°
H161C16H16298.9°109.5°
C18C17H171114.4°109.5°
C18C17H172114.4°109.5°
C17C18C19117.8°109.1°
C17C18H181109.2°109.5°
C17C18H182109.2°109.5°
H171C17H17296.1°109.7°
C19C18H181109.2°109.5°
C19C18H182109.2°109.5°
C18C19O45118.9°119.7°
H181C18H182100.9°109.7°
C27N26H26103.2°120.0°
N26C27C28122.7°120.0°
N26C27C32118.0°119.9°
C28C27C32119.3°120.1°
C27C28C29121.9°120.1°
C27C28H28120.2°119.9°
C27C32C31119.5°120.1°
C27C32H32120.2°120.0°
C29C28H28117.9°120.0°
C28C29C30119.9°120.0°
C28C29H29118.8°120.0°
C30C29H29121.3°120.0°
C29C30C31119.7°119.8°
C29C30C37118.3°120.1°
C31C30C37121.9°120.1°
C30C31C32119.6°119.9°
C30C31H31120.4°120.0°
C30C37N38121.0°119.4°
C30C37C42122.1°119.4°
C32C31H31120.0°120.1°
C31C32H32120.4°119.9°
N38C37C42116.7°121.2°
C37N38N39124.8°121.6°
C37C42C41110.2°109.7°
C37C42C47109.8°109.4°
C37C42H42109.0°109.4°
N38N39C40126.5°120.5°
N38N39H39112.3°119.8°
C40N39H39121.2°119.7°
N39C40C41115.5°119.7°
N39C40O46123.4°120.2°
C41C40O46121.1°120.1°
C40C41C42113.8°109.1°
C40C41H411110.6°109.6°
C40C41H412110.6°109.5°
C42C41H411110.6°109.5°
C42C41H412110.6°109.5°
C41C42C47110.3°109.4°
C41C42H42108.5°109.4°
H411C41H41299.7°109.6°
C47C42H42108.9°109.4°
C42C47H471112.1°109.5°
C42C47H472109.8°109.5°
C42C47H473112.1°109.5°
H471C47H472112.1°109.5°
H471C47H47398.3°109.5°
H472C47H473112.0°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°180.0°
C1C2C3H2180.0°179.9°
C1C2C3C40.1°0.4°
C1C2C3C11179.9°180.0°
C2C1C6C50.1°0.1°
C2C1C6H6179.9°180.0°
C6C1C2C30.1°0.1°
C6C1C2H2179.9°180.0°
C1C6C5C40.1°0.3°
C1C6C5H6180.0°180.0°
C1C6C5I54179.8°180.0°
H1C1C2C3179.9°179.9°
H1C1C2H20.1°0.1°
H1C1C6C5179.9°180.0°
H1C1C6H60.1°0.0°
C2C3C4C11179.7°179.6°
C2C3C4C50.2°0.6°
C2C3C4H4179.8°179.9°
C2C3C11C1239.2°90.1°
C2C3C11H11186.1°29.9°
C2C3C11H112164.5°150.0°
H2C2C3C4179.9°179.7°
H2C2C3C110.1°0.1°
C3C4C5H4180.0°179.4°
C3C4C5C60.1°0.6°
C3C4C5I54179.8°179.7°
C4C3C11C12141.1°90.3°
C4C3C11H11193.6°149.7°
C4C3C11H11215.8°29.6°
C11C3C4C5179.9°179.8°
C11C3C4H40.1°0.3°
C3C11C12H111125.3°120.0°
C3C11C12H112125.3°119.9°
C3C11H111H112116.9°120.0°
C3C11C12C1582.5°95.0°
C3C11C12C19141.5°85.0°
C4C5C6I54179.7°179.7°
C4C5C6H6179.9°179.8°
H4C4C5C6179.9°180.0°
H4C4C5I540.2°0.3°
I54C5C6H60.2°0.0°
C12C11H111H112116.9°120.1°
C11C12C15C19132.3°180.0°
C11C12C15C16134.0°179.5°
C11C12C15N2646.3°0.2°
C11C12C19C18178.9°179.9°
C11C12C19O450.6°0.1°
H111C11C12C15152.2°145.0°
H111C11C12C1916.2°35.0°
H112C11C12C1542.7°24.9°
H112C11C12C1993.2°155.1°
C12C15C16N26179.7°179.7°
C12C15C16C1748.5°30.1°
C12C15C16H16176.8°90.1°
C12C15C16H162173.7°149.8°
C15C12C19C1836.6°0.1°
C15C12C19O45142.8°179.9°
C12C15N26C27179.2°121.1°
C12C15N26H2654.0°58.8°
C19C12C15C161.6°0.5°
C19C12C15N26178.6°179.8°
C12C19C18C1721.7°28.9°
C12C19C18O45179.5°180.0°
C12C19C18H181147.0°148.8°
C12C19C18H182103.5°90.9°
C15C16C17H161125.2°120.3°
C15C16C17H162125.3°119.6°
C15C16H161H162117.3°120.0°
C15C16C17C1855.0°57.7°
C15C16C17H171179.7°62.1°
C15C16C17H17270.2°177.4°
C16C15N26C271.0°58.6°
C16C15N26H26126.3°121.5°
N26C15C16C17131.2°150.2°
N26C15C16H161103.5°89.6°
N26C15C16H1626.0°30.5°
C15N26C27H26125.3°179.9°
C15N26C27C2820.2°171.5°
C15N26C27C32160.9°8.5°
C17C16H161H162117.3°120.0°
C16C17C18H171125.3°120.0°
C16C17C18H172125.3°119.7°
C16C17H171H172120.3°120.5°
C16C17C18C1923.1°56.9°
C16C17C18H181102.2°176.8°
C16C17C18H182148.3°62.9°
H161C16C17C1870.2°62.7°
H161C16C17H17155.1°177.6°
H161C16C17H172164.5°57.0°
H162C16C17C18179.7°177.3°
H162C16C17H17154.4°57.5°
H162C16C17H17255.0°63.0°
C18C17H171H172120.3°120.3°
C17C18C19H181125.3°119.8°
C17C18C19H182125.3°119.9°
C17C18H181H182114.9°120.2°
C17C18C19O45157.8°151.1°
H171C17C18C19148.4°63.0°
H171C17C18H18123.1°56.8°
H171C17C18H18286.4°177.1°
H172C17C18C19102.2°176.6°
H172C17C18H181132.5°63.5°
H172C17C18H18223.1°56.8°
C19C18H181H182115.0°120.2°
H181C18C19O4532.5°31.3°
H182C18C19O4577.0°89.0°
N26C27C28C32178.9°180.0°
N26C27C28C29178.2°180.0°
N26C27C28H281.8°0.0°
N26C27C32C31178.1°179.8°
N26C27C32H321.9°0.0°
H26N26C27C28105.1°8.5°
H26N26C27C3273.8°171.5°
C27C28C29H28180.0°180.0°
C27C28C29C300.1°0.0°
C27C28C29H29179.9°180.0°
C28C27C32C310.8°0.3°
C28C27C32H32179.2°180.0°
C32C27C28C290.7°0.0°
C32C27C28H28179.3°180.0°
C27C32C31C300.2°0.5°
C27C32C31H32180.0°179.8°
C27C32C31H31179.8°180.0°
C28C29C30H29180.0°180.0°
C28C29C30C310.7°0.3°
C28C29C30C37176.8°180.0°
H28C28C29C30179.9°180.0°
H28C28C29H290.1°0.0°
C29C30C31C37177.5°179.7°
C29C30C31C320.6°0.6°
C29C30C31H31179.4°180.0°
C29C30C37N38174.1°0.0°
C29C30C37C422.1°180.0°
H29C29C30C31179.2°179.7°
H29C29C30C373.2°0.0°
C30C31C32H31180.0°179.5°
C30C31C32H32179.8°179.7°
C31C30C37N383.4°179.7°
C31C30C37C42179.6°0.3°
C37C30C31C32176.9°179.7°
C37C30C31H313.1°0.3°
C30C37N38C42176.4°180.0°
C30C37N38N39177.0°178.7°
C30C37C42C41156.6°146.7°
C30C37C42C4781.6°93.3°
C30C37C42H4237.6°26.6°
H31C31C32H320.2°0.2°
C37N38N39C4014.5°15.2°
C37N38N39H39165.5°164.8°
N38C37C42C4127.0°33.3°
N38C37C42C4794.7°86.7°
N38C37C42H42146.0°153.4°
C42C37N38N390.6°1.3°
C37C42C41C4039.4°47.0°
C37C42C41C47121.5°120.0°
C37C42C41H42119.3°120.1°
C37C42C41H411164.7°166.9°
C37C42C41H41285.8°72.9°
C37C42C47H42119.3°119.9°
C37C42C47H47154.7°60.1°
C37C42C47H472180.0°59.9°
C37C42C47H47354.8°179.9°
N38N39C40H39180.0°180.0°
N38N39C40C410.8°4.2°
N38N39C40O46178.6°175.8°
N39C40C41O46179.5°180.0°
N39C40C41C4228.7°35.5°
N39C40C41H411154.0°155.4°
N39C40C41H41296.5°84.4°
H39N39C40C41179.2°175.8°
H39N39C40O461.4°4.2°
C40C41C42H411125.3°119.9°
C40C41C42H412125.3°119.9°
C40C41H411H412116.5°120.2°
C40C41C42C4782.0°73.0°
C40C41C42H42158.7°167.1°
O46C40C41C42150.7°144.5°
O46C40C41H41125.4°24.6°
O46C40C41H41284.0°95.6°
C42C41H411H412116.5°120.2°
C41C42C47H42119.0°119.9°
C41C42C47H471176.4°60.1°
C41C42C47H47258.3°179.9°
C41C42C47H47366.9°59.9°
H411C41C42C4743.2°46.9°
H411C41C42H4276.0°73.0°
H412C41C42C47152.7°167.1°
H412C41C42H4233.5°47.2°
C42C47H471H472124.0°120.0°
C42C47H471H473118.0°120.0°
C42C47H472H473125.2°120.0°
H42C42C47H47164.6°180.0°
H42C42C47H47260.7°60.0°
H42C42C47H473174.1°60.0°
H471C47H472H473109.5°120.0°

222415

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