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QWI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C3sing1.38Å1.38ÅAromatic
C2C7doub1.38Å1.38ÅAromatic
C3C4doub1.38Å1.39ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
C5C6doub1.38Å1.39ÅAromatic
C5C8sing1.51Å1.52Å
C6C7sing1.38Å1.39ÅAromatic
C8C9sing1.53Å1.54Å
C8C15sing1.53Å1.53Å
C9C10sing1.53Å1.52Å
C10N11sing1.47Å1.47Å
N11C70sing1.47Å1.52Å
C15C70sing1.53Å1.55Å
C17C18sing1.53Å1.52Å
C17N1sing1.47Å1.47Å
C18C70sing1.53Å1.54Å
C20C21sing1.53Å1.52Å
C20N1sing1.47Å1.47Å
C21C70sing1.53Å1.54Å
C22N23sing1.33Å1.35ÅAromatic
C22C31doub1.41Å1.43ÅAromatic
C22N1sing1.38Å1.43Å
N23C24doub1.32Å1.34ÅAromatic
C24N25sing1.32Å1.34ÅAromatic
N25C26doub1.33Å1.35ÅAromatic
C26N27sing1.37Å1.37ÅAromatic
C26C31sing1.40Å1.39ÅAromatic
N27C29sing1.36Å1.35ÅAromatic
C29N30doub1.30Å1.32ÅAromatic
N30C31sing1.35Å1.39ÅAromatic
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C4H4sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C8H8sing1.09Å1.10Å
C9H91Csing1.09Å1.10Å
C9H92Csing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
N11H11sing1.01Å1.00Å
C17H171sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C18H181sing1.09Å1.10Å
C18H182sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C21H211sing1.09Å1.10Å
C21H212sing1.09Å1.10Å
C24H24sing1.08Å1.08Å
N27H27sing0.97Å1.00Å
C29H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C2C7119.6°120.0°
C2C3C4120.3°120.0°
C3C2H2120.2°120.0°
C2C3H3119.8°120.0°
C2C7C6120.2°120.0°
C7C2H2120.2°120.0°
C2C7H7119.9°120.0°
C3C4C5120.8°120.0°
C4C3H3119.9°120.1°
C3C4H4119.6°120.0°
C4C5C6118.3°120.0°
C4C5C8121.4°120.0°
C5C4H4119.6°120.0°
C6C5C8120.3°120.0°
C5C6C7120.8°120.0°
C5C6H6119.6°120.0°
C5C8C9114.6°109.5°
C5C8C15111.5°109.5°
C5C8H8106.4°109.5°
C6C7H7119.9°120.0°
C7C6H6119.6°120.0°
C9C8C15111.2°109.2°
C8C9C10111.0°109.3°
C9C8H8106.2°109.5°
C8C9H91C109.1°109.5°
C8C9H92C109.1°109.5°
C8C15C70115.0°109.3°
C15C8H8106.2°109.6°
C8C15H151108.1°109.5°
C8C15H152108.1°109.5°
C9C10N11112.3°109.5°
C10C9H91C109.1°109.6°
C10C9H92C109.1°109.5°
C9C10H101108.7°109.4°
C9C10H102108.7°109.5°
C10N11C70113.9°111.2°
N11C10H101108.8°109.5°
N11C10H102108.8°109.4°
C10N11H11108.3°111.0°
N11C70C15108.3°109.6°
N11C70C18107.3°109.5°
N11C70C21113.1°109.5°
C70N11H11108.3°111.0°
C15C70C18104.3°109.5°
C15C70C21112.1°109.5°
C70C15H151108.1°109.5°
C70C15H152108.0°109.5°
C18C17N1115.7°109.5°
C17C18C70110.8°109.3°
C18C17H171107.9°109.5°
C18C17H172107.9°109.4°
C17C18H181109.1°109.5°
C17C18H182109.1°109.5°
C17N1C20114.4°111.2°
C17N1C22121.8°110.9°
N1C17H171107.9°109.5°
N1C17H172107.9°109.5°
C18C70C21111.3°109.2°
C70C18H181109.1°109.5°
C70C18H182109.1°109.5°
C21C20N1113.5°109.5°
C20C21C70115.4°109.3°
C21C20H201108.5°109.5°
C21C20H202108.5°109.5°
C20C21H211108.0°109.5°
C20C21H212108.0°109.5°
C20N1C22122.8°111.0°
N1C20H201108.5°109.4°
N1C20H202108.5°109.4°
C70C21H211107.9°109.5°
C70C21H212108.0°109.5°
N23C22C31125.7°118.5°
N23C22N1114.2°120.8°
C22N23C24113.7°121.2°
C31C22N1120.0°120.7°
C22C31C26111.2°118.2°
C22C31N30138.6°134.7°
N23C24N25128.6°122.5°
N23C24H24115.7°118.8°
C24N25C26114.0°120.7°
N25C24H24115.7°118.8°
N25C26N27127.6°134.9°
N25C26C31126.7°119.1°
N27C26C31105.7°106.1°
C26N27C29106.4°107.4°
C26N27H27126.8°126.3°
C26C31N30110.2°107.2°
N27C29N30113.9°110.0°
C29N27H27126.8°126.3°
N27C29H29123.0°125.0°
C29N30C31103.7°109.4°
N30C29H29123.1°125.0°
H91CC9H92C109.5°109.6°
H151C15H152109.5°109.5°
H101C10H102109.5°109.5°
H171C17H172109.5°109.5°
H181C18H182109.5°109.5°
H201C20H202109.4°109.5°
H211C21H212109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C2C7H2180.0°179.7°
C2C3C4H3180.0°180.0°
C2C3C4C50.0°0.0°
C3C2C7C60.1°0.0°
C3C2C7H7179.9°180.0°
C2C3C4H4180.0°179.9°
C7C2C3C40.1°0.0°
C2C7C6C50.1°0.0°
C2C7C6H7180.0°180.0°
C7C2C3H3179.9°180.0°
C2C7C6H6179.9°180.0°
C3C4C5H4180.0°180.0°
C3C4C5C60.2°0.0°
C3C4C5C8179.9°179.9°
C4C3C2H2179.9°179.7°
C4C5C6C8179.7°179.9°
C4C5C6C70.2°0.0°
C4C5C8C960.1°120.0°
C4C5C8C1567.4°120.3°
C5C4C3H3180.0°180.0°
C4C5C6H6179.8°180.0°
C4C5C8H8177.1°0.1°
C5C6C7H6180.0°179.9°
C6C5C8C9120.2°60.0°
C6C5C8C15112.3°59.7°
C5C6C7H7180.0°179.9°
C6C5C4H4179.8°180.0°
C6C5C8H83.2°179.9°
C8C5C6C7179.9°179.9°
C5C8C9C15127.6°119.9°
C5C8C9H8117.2°120.1°
C5C8C15H8115.6°120.1°
C5C8C9C10178.2°177.6°
C5C8C15C70179.3°177.5°
C8C5C4H40.1°0.0°
C8C5C6H60.1°0.0°
C5C8C9H91C57.9°57.6°
C5C8C9H92C61.6°62.5°
C5C8C15H15159.9°62.5°
C5C8C15H15258.5°57.6°
C6C7C2H2179.9°179.7°
C9C8C15H8115.1°120.0°
C8C9C10H91C120.2°119.9°
C8C9C10H92C120.2°119.9°
C8C9C10N1155.5°59.2°
C9C8C15C7050.0°57.6°
C8C9H91CH92C119.3°120.1°
C9C8C15H151170.8°177.6°
C9C8C15H15270.8°62.4°
C8C9C10H101176.0°179.2°
C8C9C10H10264.9°60.8°
C15C8C9C1050.5°57.7°
C8C15C70N1150.2°59.1°
C8C15C70H151120.8°120.0°
C8C15C70H152120.8°119.9°
C8C15C70C18164.3°179.3°
C8C15C70C2175.3°61.0°
C15C8C9H91C69.7°62.3°
C15C8C9H92C170.8°177.5°
C8C15H151H152117.5°120.1°
C9C10N11H101120.4°120.0°
C9C10N11H102120.4°120.0°
C9C10N11C7059.0°61.7°
C10C9C8H864.6°62.3°
C10C9H91CH92C119.3°120.1°
C9C10H101H102118.7°120.0°
C9C10N11H1161.6°62.4°
C10N11C70H11120.6°124.1°
C10N11C70C1554.2°61.7°
C10N11C70C18166.2°178.1°
C10N11C70C2170.7°58.4°
N11C10C9H91C64.7°60.7°
N11C10C9H92C175.7°179.1°
N11C10H101H102118.7°120.0°
N11C70C15C18114.1°120.2°
N11C70C15C21125.4°120.1°
N11C70C18C17166.6°62.2°
N11C70C18C21124.2°119.9°
N11C70C21C20112.8°62.2°
N11C70C15H151171.0°179.1°
N11C70C15H15270.6°60.8°
C70N11C10H101179.4°178.3°
C70N11C10H10261.4°58.3°
N11C70C18H18146.4°57.7°
N11C70C18H18273.2°177.8°
N11C70C21H211126.3°177.8°
N11C70C21H2128.1°57.7°
C15C70C18C1778.6°177.6°
C15C70C18C21121.0°119.9°
C15C70C21C20124.4°177.6°
C70C15C8H865.1°62.4°
C70C15H151H152117.5°120.1°
C15C70N11H1166.5°62.4°
C15C70C18H181161.2°62.5°
C15C70C18H18241.5°57.6°
C15C70C21H2113.6°57.7°
C15C70C21H212114.7°62.5°
C18C17N1H171120.9°120.0°
C18C17N1H172120.9°119.9°
C17C18C70H181120.2°120.0°
C17C18C70H182120.2°119.9°
C18C17N1C2014.6°61.7°
C17C18C70C2142.4°57.7°
C18C17N1C22154.4°174.2°
C18C17H171H172117.2°119.9°
C17C18H181H182119.4°120.1°
N1C17C18C7056.8°59.1°
C17N1C20C2138.2°61.7°
C17N1C20C22168.8°124.1°
C17N1C22N23159.7°0.0°
C17N1C22C3115.4°179.7°
N1C17H171H172117.2°120.0°
N1C17C18H18163.4°179.1°
N1C17C18H182177.0°60.8°
C17N1C20H20182.4°58.3°
C17N1C20H202158.8°178.2°
C18C70C21C208.1°57.7°
C18C70C15H15174.9°60.7°
C18C70C15H15243.4°59.4°
C18C70N11H1145.6°57.8°
C70C18C17H17164.1°179.2°
C70C18C17H172177.7°60.8°
C70C18H181H182119.4°120.1°
C18C70C21H211112.8°62.2°
C18C70C21H212129.0°177.6°
C21C20N1H201120.6°120.0°
C21C20N1H202120.6°120.1°
C20C21C70H211120.9°119.9°
C20C21C70H212120.9°119.9°
C21C20N1C22152.9°174.2°
C21C20H201H202118.2°120.0°
C20C21H211H212117.3°120.1°
N1C20C21C7050.7°59.2°
C20N1C22N238.3°124.3°
C20N1C22C31176.6°55.5°
C20N1C17H171106.3°178.3°
C20N1C17H172135.5°58.2°
N1C20H201H202118.2°119.9°
N1C20C21H21170.2°60.8°
N1C20C21H212171.6°179.1°
C21C70C15H15145.5°59.0°
C21C70C15H152163.9°179.1°
C21C70N11H11168.7°177.5°
C21C70C18H18177.8°177.6°
C21C70C18H182162.6°62.3°
C70C21C20H20169.9°60.8°
C70C21C20H202171.3°179.2°
C70C21H211H212117.3°120.1°
N23C22C31N1174.4°179.8°
C22N23C24N250.2°0.1°
N23C22C31C263.7°0.0°
N23C22C31N30175.0°179.9°
C22N23C24H24179.8°180.0°
C31C22N23C243.0°0.0°
C22C31C26N251.6°0.0°
C22C31C26N27180.0°180.0°
C22C31C26N30179.1°179.9°
C22C31N30C29179.4°180.0°
N1C22N23C24171.8°179.7°
N1C22C31C26170.7°179.8°
N1C22C31N3010.6°0.3°
C22N1C17H17184.7°54.1°
C22N1C17H17233.5°65.9°
C22N1C20H20186.5°65.8°
C22N1C20H20232.3°54.1°
N23C24N25H24180.0°180.0°
N23C24N25C262.0°0.1°
C24N25C26N27177.2°180.0°
C24N25C26C310.9°0.0°
N25C26N27C31178.4°180.0°
N25C26N27C29177.6°179.9°
N25C26C31N30177.5°179.9°
C26N25C24H24178.0°180.0°
N25C26N27H272.4°0.0°
C26N27C29H27180.0°179.9°
C26N27C29N300.4°0.0°
N27C26C31N301.0°0.0°
C26N27C29H29179.6°179.9°
C31C26N27C290.8°0.0°
C26C31N30C290.7°0.0°
C31C26N27H27179.1°179.9°
N27C29N30H29180.0°180.0°
N27C29N30C310.2°0.0°
N30C29N27H27179.5°179.9°
C31N30C29H29179.8°180.0°
H2C2C3H30.1°0.3°
H2C2C7H70.1°0.3°
H3C3C4H40.0°0.0°
H7C7C6H60.0°0.0°
H8C8C9H91C175.1°177.7°
H8C8C9H92C55.6°57.6°
H8C8C15H15155.7°57.6°
H8C8C15H152174.1°177.7°
H91CC9C10H10155.8°59.3°
H91CC9C10H102174.9°179.3°
H92CC9C10H10163.8°60.9°
H92CC9C10H10255.3°59.1°
H101C10N11H1158.8°57.6°
H102C10N11H11178.0°177.6°
H171C17C18H181175.7°60.9°
H171C17C18H18256.1°59.2°
H172C17C18H18157.5°59.1°
H172C17C18H18262.1°179.2°
H201C20C21H211169.2°179.2°
H201C20C21H21251.0°59.1°
H202C20C21H21150.5°59.2°
H202C20C21H21267.8°60.9°
H27N27C29H290.4°0.0°

224931

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