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4TV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N2sing1.46Å1.47Å
N2N6sing1.40Å1.40ÅAromatic
N2C3sing1.35Å1.35ÅAromatic
N6C5doub1.31Å1.31ÅAromatic
C3C4doub1.36Å1.36ÅAromatic
C5C4sing1.41Å1.41ÅAromatic
C4C7sing1.48Å1.49Å
C8C7doub1.39Å1.41ÅAromatic
C8C9sing1.38Å1.39ÅAromatic
C7C12sing1.39Å1.40ÅAromatic
C9C10doub1.39Å1.40ÅAromatic
C12C11doub1.38Å1.38ÅAromatic
C10C11sing1.39Å1.40ÅAromatic
C10C13sing1.48Å1.48Å
C14C13doub1.39Å1.40ÅAromatic
C14N15sing1.32Å1.32ÅAromatic
C13C19sing1.41Å1.43ÅAromatic
N15C16doub1.32Å1.33ÅAromatic
C30N20sing1.47Å1.47Å
C30C29sing1.53Å1.53Å
C19N20sing1.39Å1.40Å
C19C17doub1.39Å1.40ÅAromatic
N20C21sing1.47Å1.47Å
C24C23sing1.54Å1.55Å
C24C25sing1.55Å1.54Å
C16C17sing1.38Å1.38ÅAromatic
C29C23sing1.53Å1.53Å
C17CL1sing1.74Å1.74Å
C21C22sing1.53Å1.54Å
C23C22sing1.53Å1.53Å
C23C27sing1.51Å1.51Å
C25N26sing1.47Å1.47Å
C27N26sing1.35Å1.35Å
C27O28doub1.21Å1.21Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C3H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C8H6sing1.08Å1.08Å
C11H7sing1.08Å1.08Å
C12H8sing1.08Å1.08Å
C16H9sing1.08Å1.08Å
C21H10sing1.09Å1.10Å
C21H11sing1.09Å1.10Å
C24H12sing1.09Å1.10Å
C24H13sing1.09Å1.10Å
C30H14sing1.09Å1.10Å
C30H15sing1.09Å1.10Å
C9H16sing1.08Å1.08Å
C14H17sing1.08Å1.08Å
C22H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C25H20sing1.09Å1.10Å
C25H21sing1.09Å1.10Å
N26H22sing0.97Å1.00Å
C29H23sing1.09Å1.10Å
C29H24sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N2N6125.8°125.9°
C1N2C3126.3°125.9°
N2C1H1109.5°109.5°
N2C1H2109.4°109.5°
N2C1H3109.5°109.4°
N6N2C3107.8°108.2°
N2N6C5108.6°108.6°
N2C3C4108.3°107.5°
N2C3H4125.9°126.2°
N6C5C4108.5°108.1°
N6C5H5125.7°126.1°
C3C4C5106.7°107.6°
C3C4C7126.7°126.2°
C4C3H4125.8°126.3°
C5C4C7126.6°126.2°
C4C5H5125.8°125.9°
C4C7C8120.9°120.0°
C4C7C12120.1°120.0°
C7C8C9120.7°120.0°
C8C7C12119.1°120.0°
C7C8H6119.7°119.9°
C8C9C10119.8°120.0°
C9C8H6119.7°120.0°
C8C9H16120.1°120.0°
C7C12C11120.2°120.0°
C7C12H8119.9°120.0°
C9C10C11119.6°120.0°
C9C10C13121.9°120.0°
C10C9H16120.1°120.1°
C12C11C10120.7°120.0°
C12C11H7119.6°120.1°
C11C12H8119.9°120.0°
C11C10C13118.5°120.0°
C10C11H7119.7°120.0°
C10C13C14117.9°120.6°
C10C13C19123.2°120.6°
C13C14N15120.9°120.7°
C14C13C19118.8°118.9°
C13C14H17119.6°119.7°
C14N15C16121.7°122.0°
N15C14H17119.6°119.6°
C13C19N20124.2°120.9°
C13C19C17117.4°118.2°
N15C16C17121.8°121.1°
N15C16H9119.0°119.4°
N20C30C29108.6°109.5°
C30N20C19119.6°111.0°
C30N20C21116.5°111.3°
N20C30H14109.7°109.5°
N20C30H15109.7°109.5°
C30C29C23109.9°109.3°
C29C30H14109.7°109.5°
C29C30H15109.7°109.4°
C30C29H23109.4°109.5°
C30C29H24109.4°109.5°
N20C19C17118.4°120.9°
C19N20C21119.5°111.0°
C19C17C16119.4°119.2°
C19C17CL1122.0°120.4°
N20C21C22110.4°109.5°
N20C21H10109.3°109.5°
N20C21H11109.2°109.5°
C23C24C25101.1°101.6°
C24C23C29110.7°110.0°
C24C23C22112.5°110.0°
C24C23C27103.6°104.7°
C23C24H12111.5°111.0°
C23C24H13111.5°111.0°
C24C25N26104.8°105.5°
C25C24H12111.5°111.0°
C25C24H13111.5°111.0°
C24C25H20110.6°110.2°
C24C25H21110.7°110.2°
C16C17CL1118.6°120.4°
C17C16H9119.1°119.5°
C29C23C22110.8°110.5°
C29C23C27110.4°110.7°
C23C29H23109.4°109.5°
C23C29H24109.4°109.4°
C21C22C23112.8°109.3°
C22C21H10109.2°109.5°
C22C21H11109.2°109.5°
C21C22H18108.6°109.5°
C21C22H19108.6°109.5°
C22C23C27108.6°110.7°
C23C22H18108.6°109.5°
C23C22H19108.6°109.5°
C23C27N26109.7°110.0°
C23C27O28125.3°125.0°
C25N26C27111.1°111.3°
N26C25H20110.6°110.3°
N26C25H21110.6°110.2°
C25N26H22124.5°124.4°
N26C27O28124.9°125.0°
C27N26H22124.4°124.4°
H1C1H2109.5°109.5°
H1C1H3109.5°109.4°
H2C1H3109.5°109.5°
H10C21H11109.5°109.5°
H12C24H13109.5°110.9°
H14C30H15109.5°109.4°
H18C22H19109.5°109.5°
H20C25H21109.5°110.2°
H23C29H24109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N2N6C3180.0°179.7°
C1N2N6C5179.9°180.0°
C1N2C3C4180.0°180.0°
N2C1H1H2120.0°120.1°
N2C1H1H3120.0°119.9°
N2C1H2H3120.0°120.0°
C1N2C3H40.0°0.2°
N6N2C3C40.0°0.3°
N2N6C5C40.2°0.2°
N6N2C1H10.0°89.9°
N6N2C1H2120.0°150.0°
N6N2C1H3120.0°30.0°
N6N2C3H4180.0°179.9°
N2N6C5H5179.8°179.8°
C3N2N6C50.1°0.4°
N2C3C4H4180.0°179.8°
N2C3C4C50.1°0.2°
N2C3C4C7179.7°179.8°
C3N2C1H1180.0°90.5°
C3N2C1H260.0°29.6°
C3N2C1H360.0°149.6°
N6C5C4C30.1°0.0°
N6C5C4H5180.0°180.0°
N6C5C4C7179.7°180.0°
C3C4C5C7179.8°180.0°
C3C4C7C825.7°0.3°
C3C4C7C12155.0°180.0°
C3C4C5H5179.9°180.0°
C5C4C7C8154.1°179.7°
C5C4C7C1225.2°0.0°
C5C4C3H4179.9°180.0°
C4C7C8C12179.4°179.7°
C4C7C8C9179.7°180.0°
C4C7C12C11179.7°180.0°
C7C4C3H40.2°0.0°
C7C4C5H50.3°0.1°
C4C7C8H60.3°0.1°
C4C7C12H80.3°0.0°
C7C8C9H6180.0°179.9°
C7C8C9C100.0°0.0°
C8C7C12C110.3°0.3°
C8C7C12H8179.7°179.7°
C7C8C9H16180.0°180.0°
C9C8C7C120.3°0.3°
C8C9C10H16180.0°180.0°
C8C9C10C110.3°0.2°
C8C9C10C13180.0°180.0°
C7C12C11H8180.0°180.0°
C7C12C11C100.0°0.0°
C12C7C8H6179.6°179.7°
C7C12C11H7180.0°180.0°
C9C10C11C120.3°0.2°
C9C10C11C13179.8°179.7°
C9C10C13C1464.8°49.9°
C9C10C13C19116.9°130.0°
C10C9C8H6179.9°180.0°
C9C10C11H7179.7°179.7°
C12C11C10H7180.0°180.0°
C12C11C10C13180.0°180.0°
C11C10C13C14115.0°130.3°
C11C10C13C1963.4°49.8°
C10C11C12H8180.0°180.0°
C11C10C9H16179.7°179.8°
C10C13C14C19178.5°179.9°
C10C13C14N15179.1°179.7°
C10C13C19N201.7°0.1°
C10C13C19C17179.0°179.9°
C13C10C11H70.1°0.0°
C13C10C9H160.0°0.0°
C10C13C14H171.0°0.1°
C13C14N15H17180.0°179.8°
C13C14N15C160.3°0.4°
C14C13C19N20179.9°180.0°
C14C13C19C170.6°0.0°
N15C14C13C190.6°0.2°
C14N15C16C170.0°0.5°
C14N15C16H9180.0°179.8°
C13C19N20C3052.1°120.0°
C13C19N20C17179.2°180.0°
C13C19N20C21103.5°115.7°
C13C19C17C160.4°0.0°
C13C19C17CL1179.6°180.0°
C19C13C14H17179.4°180.0°
N15C16C17C190.1°0.3°
N15C16C17H9180.0°179.7°
N15C16C17CL1179.9°179.8°
C16N15C14H17179.7°179.7°
N20C30C29H14119.9°120.1°
N20C30C29H15119.9°120.0°
C30N20C19C21155.6°124.3°
C30N20C19C17127.2°60.0°
N20C30C29C2358.5°58.2°
C30N20C21C2253.0°62.2°
C30N20C21H1067.1°57.9°
C30N20C21H11173.1°177.8°
N20C30H14H15120.4°120.0°
N20C30C29H2361.5°178.2°
N20C30C29H24178.6°61.7°
C29C30N20C19145.0°173.7°
C29C30N20C2158.7°62.1°
C30C29C23C2468.7°65.4°
C30C29C23H23120.1°120.0°
C30C29C23H24120.1°119.9°
C30C29C23C2256.9°56.2°
C30C29C23C27177.3°179.3°
C29C30H14H15120.4°119.9°
C30C29H23H24119.8°120.1°
N20C19C17C16179.7°180.0°
N20C19C17CL10.3°0.0°
C19N20C21C22150.7°173.6°
C19N20C21H1089.2°66.3°
C19N20C21H1130.5°53.7°
C19N20C30H1425.1°53.6°
C19N20C30H1595.1°66.4°
C17C19N20C2177.2°64.3°
C19C17C16CL1180.0°179.9°
C19C17C16H9179.9°180.0°
N20C21C22H10120.1°120.0°
N20C21C22H11120.1°120.0°
N20C21C22C2348.0°58.2°
N20C21H10H11119.6°120.0°
C21N20C30H14178.5°177.8°
C21N20C30H1561.2°57.8°
N20C21C22H18168.4°178.2°
N20C21C22H1972.5°61.7°
C23C24C25H12118.6°118.1°
C23C24C25H13118.7°118.1°
C24C23C29C22125.6°121.7°
C24C23C29C27114.1°115.3°
C24C23C22C2172.7°65.4°
C24C23C22C27114.1°115.3°
C23C24C25N2629.2°25.0°
C24C23C27N2619.5°15.8°
C24C23C27O28160.8°164.2°
C23C24H12H13123.9°123.9°
C24C23C22H1847.8°54.6°
C24C23C22H19166.8°174.7°
C23C24C25H20148.5°94.1°
C23C24C25H2190.0°144.0°
C24C23C29H23171.3°54.6°
C24C23C29H2451.4°174.7°
C25C24C23C29147.4°94.7°
C25C24C23C2288.0°143.3°
C25C24C23C2729.1°24.4°
C24C25N26H20119.2°119.0°
C24C25N26H21119.3°119.0°
C24C25N26C2719.0°16.9°
C25C24H12H13123.9°123.9°
C24C25H20H21122.2°121.9°
C24C25N26H22161.0°163.1°
C29C23C22C2151.8°56.3°
C29C23C22C27121.4°123.1°
C29C23C27N26138.1°102.7°
C29C23C27O2842.3°77.2°
C29C23C24H1228.8°23.4°
C29C23C24H1393.9°147.2°
C23C29C30H14178.4°178.3°
C23C29C30H1561.3°61.8°
C29C23C22H18172.3°176.3°
C29C23C22H1968.6°63.6°
C23C29H23H24119.8°120.0°
CL1C17C16H90.1°0.1°
C21C22C23H18120.5°120.0°
C21C22C23H19120.5°119.9°
C21C22C23C27173.3°179.3°
C22C21H10H11119.6°120.0°
C21C22H18H19118.5°120.1°
C22C23C27N26100.3°134.3°
C22C23C27O2879.4°45.7°
C23C22C21H1072.2°61.8°
C23C22C21H11168.1°178.2°
C22C23C24H12153.4°98.6°
C22C23C24H1330.6°25.3°
C23C22H18H19118.5°120.1°
C22C23C29H2363.2°176.3°
C22C23C29H24177.0°63.7°
C23C27N26C250.4°0.7°
C23C27N26O28179.7°179.9°
C27C23C24H1289.5°142.4°
C27C23C24H13147.8°93.7°
C27C23C22H1866.3°60.7°
C27C23C22H1952.8°59.4°
C23C27N26H22179.6°179.3°
C27C23C29H2357.2°60.7°
C27C23C29H2462.7°59.4°
C25N26C27H22180.0°180.0°
C25N26C27O28179.9°179.3°
N26C25C24H1289.4°143.1°
N26C25C24H13147.9°93.1°
N26C25H20H21122.2°122.0°
C27N26C25H20138.2°102.1°
C27N26C25H21100.2°135.9°
O28C27N26H220.1°0.7°
H1C1H2H3120.0°120.0°
H6C8C9H160.1°0.0°
H7C11C12H80.0°0.0°
H10C21C22H1848.3°58.2°
H10C21C22H19167.3°178.3°
H11C21C22H1871.4°61.8°
H11C21C22H1947.6°58.3°
H12C24C25H2029.8°24.0°
H12C24C25H21151.4°97.9°
H13C24C25H2092.9°147.9°
H13C24C25H2128.7°25.9°
H14C30C29H2358.4°61.7°
H14C30C29H2461.5°58.4°
H15C30C29H23178.6°58.2°
H15C30C29H2458.8°178.3°
H20C25N26H2241.8°77.9°
H21C25N26H2279.8°44.1°

222926

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