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QQ2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22C21doub1.38Å1.39ÅAromatic
C22C23sing1.39Å1.40ÅAromatic
C22H22sing1.08Å1.08Å
C1N2doub1.32Å1.34ÅAromatic
C1N6sing1.32Å1.34ÅAromatic
C1H1sing1.08Å1.08Å
C5C4sing1.39Å1.41ÅAromatic
C5N6doub1.33Å1.34ÅAromatic
C5N19sing1.39Å1.42Å
C4C3doub1.39Å1.41ÅAromatic
C4H4sing1.08Å1.08Å
C3N2sing1.33Å1.35ÅAromatic
C3N7sing1.39Å1.38Å
C11C10doub1.38Å1.39ÅAromatic
C11C12sing1.38Å1.39ÅAromatic
C11H11sing1.08Å1.08Å
C10C9sing1.38Å1.40ÅAromatic
C10C33sing1.51Å1.50Å
C9C8doub1.39Å1.40ÅAromatic
C9H9sing1.08Å1.08Å
C8C13sing1.39Å1.41ÅAromatic
C8N7sing1.40Å1.38Å
C12C13doub1.38Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C17C16sing1.47Å1.50Å
C17N18trip1.14Å1.19Å
C16N7sing1.46Å1.48Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C13CL1sing1.74Å1.77Å
C20N19sing1.40Å1.37Å
C20C21sing1.39Å1.39ÅAromatic
C20C25doub1.39Å1.38ÅAromatic
N19H19sing0.97Å1.00Å
C21H21sing1.08Å1.08Å
C23C24doub1.39Å1.40ÅAromatic
C23O26sing1.36Å1.38Å
C24C25sing1.38Å1.41ÅAromatic
C24H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
O26C27sing1.43Å1.43Å
C27C28sing1.53Å1.55Å
C27H271sing1.09Å1.10Å
C27H272sing1.09Å1.10Å
C28C29sing1.53Å1.55Å
C28O33sing1.43Å1.44Å
C28H28sing1.09Å1.10Å
C29N30sing1.47Å1.50Å
C29H291sing1.09Å1.10Å
C29H292sing1.09Å1.10Å
N30C31sing1.47Å1.47Å
N30C32sing1.47Å1.47Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C31H313sing1.09Å1.10Å
C32H321sing1.09Å1.10Å
C32H322sing1.09Å1.10Å
C32H323sing1.09Å1.10Å
O33H33sing0.97Å0.95Å
C33H331sing1.09Å1.10Å
C33H332sing1.09Å1.10Å
C33H333sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21C22C23122.4°120.0°
C21C22H22118.8°120.0°
C22C21C20118.7°120.0°
C22C21H21120.7°120.0°
C23C22H22118.8°120.0°
C22C23C24118.6°120.0°
C22C23O26117.9°120.0°
N2C1N6122.9°121.9°
N2C1H1118.6°119.0°
C1N2C3121.2°120.9°
N6C1H1118.6°119.1°
C1N6C5120.3°120.9°
C4C5N6117.9°119.0°
C4C5N19124.8°120.5°
C5C4C3121.0°118.2°
C5C4H4119.5°120.9°
N6C5N19117.2°120.5°
C5N19C20127.3°120.0°
C5N19H19116.4°120.0°
C3C4H4119.5°120.9°
C4C3N2116.7°119.0°
C4C3N7123.4°120.5°
N2C3N7119.9°120.5°
C3N7C8119.8°120.0°
C3N7C16121.1°119.9°
C10C11C12119.6°120.1°
C10C11H11120.2°119.9°
C11C10C9121.0°120.1°
C11C10C33119.5°120.0°
C12C11H11120.2°119.9°
C11C12C13119.1°120.1°
C11C12H12120.4°119.9°
C9C10C33119.5°120.0°
C10C9C8120.5°120.0°
C10C9H9119.7°120.0°
C10C33H331109.5°109.5°
C10C33H332109.5°109.4°
C10C33H333109.5°109.5°
C8C9H9119.7°120.0°
C9C8C13117.1°119.8°
C9C8N7118.9°120.1°
C13C8N7124.0°120.1°
C8C13C12122.6°119.9°
C8C13CL1122.6°120.0°
C8N7C16119.1°120.0°
C13C12H12120.5°120.0°
C12C13CL1114.9°120.1°
C16C17N18178.2°180.0°
C17C16N7112.5°109.5°
C17C16H161107.8°109.4°
C17C16H162108.5°109.5°
N7C16H161107.8°109.5°
N7C16H162108.5°109.5°
H161C16H162111.8°109.4°
N19C20C21121.2°120.0°
N19C20C25119.0°120.0°
C20N19H19116.3°120.0°
C21C20C25119.8°120.0°
C20C21H21120.6°120.0°
C20C25C24121.7°120.0°
C20C25H25119.1°120.0°
C24C23O26123.5°120.0°
C23C24C25118.8°120.0°
C23C24H24120.6°120.0°
C23O26C27123.9°106.8°
C25C24H24120.6°120.0°
C24C25H25119.1°120.0°
O26C27C28116.3°109.5°
O26C27H271105.7°109.5°
O26C27H272107.2°109.4°
C28C27H271105.7°109.5°
C28C27H272107.3°109.5°
C27C28C29117.2°109.5°
C27C28O33108.2°109.5°
C27C28H28105.1°109.5°
H271C27H272115.0°109.4°
C29C28O33110.2°109.5°
C29C28H28103.0°109.5°
C28C29N30109.6°109.5°
C28C29H291109.4°109.5°
C28C29H292109.4°109.5°
O33C28H28113.0°109.5°
C28O33H33109.5°106.8°
N30C29H291109.4°109.5°
N30C29H292109.4°109.4°
C29N30C31120.3°106.7°
C29N30C32122.9°106.6°
H291C29H292109.6°109.5°
C31N30C32116.4°106.7°
N30C31H311109.4°109.5°
N30C31H312109.5°109.5°
N30C31H313109.5°109.5°
N30C32H321109.4°109.5°
N30C32H322109.5°109.4°
N30C32H323109.5°109.5°
H311C31H312109.5°109.5°
H311C31H313109.5°109.4°
H312C31H313109.4°109.4°
H321C32H322109.5°109.5°
H321C32H323109.5°109.5°
H322C32H323109.4°109.4°
H331C33H332109.5°109.5°
H331C33H333109.5°109.5°
H332C33H333109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21C22C23H22180.0°179.9°
C22C21C20N19179.5°179.9°
C22C21C20H21180.0°179.9°
C22C21C20C250.4°0.0°
C21C22C23C240.3°0.3°
C21C22C23O26179.6°180.0°
C23C22C21C200.1°0.0°
C23C22C21H21179.9°180.0°
C22C23C24O26179.2°179.8°
C22C23C24C250.0°0.5°
C22C23C24H24180.0°179.9°
C22C23O26C27175.7°180.0°
H22C22C21C20179.9°179.9°
H22C22C21H210.1°0.1°
H22C22C23C24179.7°179.8°
H22C22C23O260.4°0.1°
N2C1N6H1180.0°179.8°
N2C1N6C51.2°0.5°
C1N2C3C40.1°0.0°
C1N2C3N7179.1°180.0°
C1N6C5C41.2°0.5°
C1N6C5N19179.4°179.7°
N6C1N2C30.6°0.3°
H1C1N6C5178.7°179.7°
H1C1N2C3179.3°180.0°
C4C5N6N19179.4°179.8°
C5C4C3H4180.0°180.0°
C5C4C3N20.1°0.1°
C5C4C3N7179.1°180.0°
C4C5N19C2012.1°174.0°
C4C5N19H19167.9°6.1°
N6C5C4C30.7°0.2°
N6C5C4H4179.3°179.7°
N6C5N19C20168.5°6.2°
N6C5N19H1911.5°173.7°
N19C5C4C3179.9°180.0°
N19C5C4H40.1°0.0°
C5N19C20H19180.0°180.0°
C5N19C20C2128.5°35.5°
C5N19C20C25151.4°144.5°
C4C3N2N7179.2°179.9°
C4C3N7C817.5°175.0°
C4C3N7C16162.6°5.0°
H4C4C3N2179.9°180.0°
H4C4C3N70.9°0.1°
N2C3N7C8161.7°4.9°
N2C3N7C1618.3°175.1°
C3N7C8C990.5°90.0°
C3N7C8C1389.1°90.2°
C3N7C8C16180.0°180.0°
C3N7C16C1786.9°60.0°
C3N7C16H16131.8°180.0°
C3N7C16H162153.1°60.0°
C10C11C12H11180.0°180.0°
C11C10C9C33179.4°180.0°
C11C10C9C80.9°0.0°
C11C10C9H9179.1°180.0°
C10C11C12C130.4°0.3°
C10C11C12H12179.6°179.9°
C11C10C33H33196.9°89.9°
C11C10C33H332143.1°30.0°
C11C10C33H33323.2°150.0°
C12C11C10C91.0°0.0°
C12C11C10C33179.6°180.0°
C11C12C13C80.4°0.5°
C11C12C13H12180.0°179.8°
C11C12C13CL1179.7°179.9°
H11C11C10C9178.9°180.0°
H11C11C10C330.4°0.0°
H11C11C12C13179.6°179.7°
H11C11C12H120.4°0.0°
C10C9C8H9180.0°180.0°
C10C9C8C130.1°0.2°
C10C9C8N7179.4°179.9°
C9C10C33H33183.8°90.1°
C9C10C33H33236.3°150.0°
C9C10C33H333156.2°30.0°
C33C10C9C8179.7°180.0°
C33C10C9H90.3°0.0°
C10C33H331H332120.0°120.0°
C10C33H331H333120.0°120.0°
C10C33H332H333120.0°120.0°
C9C8C13N7179.6°179.7°
C9C8C13C120.5°0.5°
C9C8N7C1689.5°90.0°
C9C8C13CL1179.6°180.0°
H9C9C8C13179.9°179.8°
H9C9C8N70.6°0.0°
C8C13C12CL1179.9°179.5°
C8C13C12H12179.6°179.7°
C13C8N7C1690.9°89.7°
N7C8C13C12179.9°179.8°
C8N7C16C1793.1°119.9°
C8N7C16H161148.2°0.0°
C8N7C16H16226.9°120.0°
N7C8C13CL10.0°0.2°
H12C12C13CL10.3°0.2°
C17C16N7H161118.7°119.9°
C17C16N7H162120.0°120.1°
C17C16H161H162119.2°120.0°
N18C17C16N7136.2°169.2°
N18C17C16H16117.5°49.2°
N18C17C16H162103.8°70.7°
N7C16H161H162119.2°120.1°
N19C20C21C25179.9°180.0°
N19C20C21H210.4°0.0°
N19C20C25C24179.3°179.7°
N19C20C25H250.8°0.0°
C21C20N19H19151.5°144.5°
C21C20C25C240.7°0.2°
C21C20C25H25179.3°180.0°
C25C20N19H1928.5°35.5°
C25C20C21H21179.6°180.0°
C20C25C24C230.5°0.5°
C20C25C24H25180.0°179.8°
C20C25C24H24179.5°180.0°
C23C24C25H24180.0°179.6°
C23C24C25H25179.5°179.8°
C24C23O26C275.0°0.2°
O26C23C24C25179.3°179.7°
O26C23C24H240.8°0.2°
C23O26C27C28160.4°180.0°
C23O26C27H27182.7°59.9°
C23O26C27H27240.3°60.0°
H24C24C25H250.5°0.2°
O26C27C28H271116.9°120.0°
O26C27C28H272120.0°120.0°
O26C27H271H272118.0°119.9°
O26C27C28C294.6°175.0°
O26C27C28O33120.7°65.0°
O26C27C28H28118.3°55.0°
C28C27H271H272118.1°120.0°
C27C28C29O33124.3°120.0°
C27C28C29H28114.9°120.0°
C27C28O33H28116.0°120.0°
C27C28C29N30178.8°175.0°
C27C28C29H29158.9°65.0°
C27C28C29H29261.2°55.0°
C27C28O33H3395.1°60.0°
H271C27C28C29112.3°65.0°
H271C27C28O33122.4°55.0°
H271C27C28H281.4°175.0°
H272C27C28C29124.6°55.0°
H272C27C28O330.7°175.0°
H272C27C28H28121.7°65.0°
C29C28O33H28114.6°120.0°
C28C29N30H291119.9°120.1°
C28C29N30H292120.0°119.9°
C28C29H291H292120.0°120.0°
C28C29N30C31130.2°170.0°
C28C29N30C3257.6°76.2°
C29C28O33H3334.2°60.0°
O33C28C29N3054.5°65.1°
O33C28C29H29165.4°55.0°
O33C28C29H292174.5°175.0°
H28C28C29N3066.3°55.0°
H28C28C29H291173.8°175.0°
H28C28C29H29253.7°65.0°
H28C28O33H33148.9°180.0°
N30C29H291H292120.0°120.0°
C29N30C31C32172.7°113.7°
C29N30C31H311147.7°179.9°
C29N30C31H31227.7°60.0°
C29N30C31H31392.3°60.0°
C29N30C32H321152.0°66.2°
C29N30C32H32232.0°173.8°
C29N30C32H32388.0°53.9°
H291C29N30C3110.2°70.0°
H291C29N30C32177.5°43.8°
H292C29N30C31109.8°50.0°
H292C29N30C3262.4°163.8°
N30C31H311H312120.0°120.1°
N30C31H311H313120.0°120.0°
N30C31H312H313120.0°120.0°
C31N30C32H32120.5°180.0°
C31N30C32H322140.5°60.0°
C31N30C32H32399.5°59.9°
C32N30C31H31139.6°66.2°
C32N30C31H312159.6°173.7°
C32N30C31H31380.5°53.7°
N30C32H321H322120.0°119.9°
N30C32H321H323120.0°120.0°
N30C32H322H323120.0°119.9°
H311C31H312H313120.0°120.0°
H321C32H322H323120.0°120.1°
H331C33H332H333120.0°120.0°

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