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6DX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18C17doub1.38Å1.39ÅAromatic
C18C19sing1.38Å1.39ÅAromatic
C17C16sing1.38Å1.39ÅAromatic
C19C20doub1.38Å1.39ÅAromatic
C16C15doub1.39Å1.39ÅAromatic
C08C07sing1.53Å1.55Å
C08N09sing1.47Å1.28Å
C20C15sing1.39Å1.39ÅAromatic
C15N12sing1.40Å1.47Å
C07C06sing1.53Å1.54Å
C10N09sing1.47Å1.39Å
C10C11sing1.53Å1.53Å
N09C14sing1.47Å1.39Å
C14C13sing1.53Å1.53Å
C11N12sing1.47Å1.37Å
N12C13sing1.47Å1.37Å
C06N05sing1.47Å1.45Å
N05C04sing1.38Å1.42Å
C04N21doub1.32Å1.33ÅAromatic
C04N03sing1.34Å1.37ÅAromatic
N21C22sing1.34Å1.38ÅAromatic
N03C02doub1.32Å1.35ÅAromatic
C22N23doub1.32Å1.38ÅAromatic
C22N26sing1.37Å1.33ÅAromatic
C02N26sing1.36Å1.37ÅAromatic
C02N01sing1.37Å1.43Å
N23C24sing1.34Å1.35ÅAromatic
N26N25sing1.40Å1.37ÅAromatic
C24N25doub1.32Å1.36ÅAromatic
C24C27sing1.48Å1.53Å
C27C28doub1.36Å1.40ÅAromatic
C27O31sing1.35Å1.36ÅAromatic
C28C29sing1.41Å1.41ÅAromatic
O31C30sing1.34Å1.37ÅAromatic
C29C30doub1.35Å1.39ÅAromatic
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C17H5sing1.08Å1.08Å
C20H6sing1.08Å1.08Å
C18H7sing1.08Å1.08Å
C19H8sing1.08Å1.08Å
C16H9sing1.08Å1.08Å
C14H10sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
N01H14sing0.97Å1.00Å
N01H15sing0.97Å1.00Å
N05H16sing0.97Å1.00Å
C06H17sing1.09Å1.10Å
C06H18sing1.09Å1.10Å
C07H19sing1.09Å1.10Å
C07H20sing1.09Å1.10Å
C08H21sing1.09Å1.10Å
C08H22sing1.09Å1.10Å
C28H24sing1.08Å1.08Å
C29H25sing1.08Å1.08Å
C30H26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C17C18C19120.0°120.1°
C18C17C16120.0°120.1°
C18C17H5120.0°119.9°
C17C18H7120.0°119.9°
C18C19C20120.1°120.1°
C19C18H7120.0°119.9°
C18C19H8120.0°120.0°
C17C16C15120.3°119.9°
C16C17H5120.0°120.0°
C17C16H9119.9°120.1°
C19C20C15120.0°119.9°
C19C20H6120.0°120.0°
C20C19H8119.9°120.0°
C16C15C20119.7°119.8°
C16C15N12120.2°120.1°
C15C16H9119.9°120.0°
C07C08N09112.3°109.5°
C08C07C06111.4°109.5°
C08C07H19109.0°109.5°
C08C07H20109.0°109.5°
C07C08H21108.7°109.5°
C07C08H22108.7°109.4°
C08N09C10108.3°111.0°
C08N09C14112.1°111.0°
N09C08H21108.8°109.5°
N09C08H22108.8°109.5°
C20C15N12120.1°120.1°
C15C20H6120.0°120.0°
C15N12C11119.0°111.0°
C15N12C13120.3°111.0°
C07C06N05109.4°109.5°
C07C06H17109.5°109.4°
C07C06H18109.5°109.4°
C06C07H19109.0°109.5°
C06C07H20109.0°109.5°
N09C10C11114.3°109.4°
C10N09C14115.7°110.9°
N09C10H1108.2°109.5°
N09C10H2108.3°109.5°
C10C11N12110.6°109.4°
C11C10H1108.3°109.5°
C11C10H2108.3°109.5°
C10C11H12109.2°109.5°
C10C11H13109.2°109.5°
N09C14C13114.8°109.4°
N09C14H10108.1°109.4°
N09C14H11108.1°109.5°
C14C13N12112.8°109.3°
C14C13H3108.6°109.5°
C14C13H4108.6°109.5°
C13C14H10108.1°109.5°
C13C14H11108.1°109.5°
C11N12C13110.8°110.9°
N12C11H12109.2°109.5°
N12C11H13109.2°109.5°
N12C13H3108.6°109.5°
N12C13H4108.6°109.5°
C06N05C04119.5°120.0°
C06N05H16106.9°120.0°
N05C06H17109.5°109.4°
N05C06H18109.5°109.5°
N05C04N21119.0°119.4°
N05C04N03120.4°119.4°
C04N05H16106.9°120.1°
N21C04N03120.5°121.2°
C04N21C22119.3°120.1°
C04N03C02120.2°120.6°
N21C22N23131.6°133.3°
N21C22N26120.4°119.1°
N03C02N26119.3°119.4°
N03C02N01121.4°120.3°
N23C22N26108.0°107.6°
C22N23C24107.1°109.6°
C22N26C02120.4°119.5°
C22N26N25109.0°106.5°
N26C02N01119.3°120.3°
C02N26N25130.6°134.0°
C02N01H14109.5°120.0°
C02N01H15109.5°120.0°
N23C24N25108.9°109.4°
N23C24C27125.8°125.3°
N26N25C24106.9°107.0°
N25C24C27125.3°125.3°
C24C27C28126.7°125.9°
C24C27O31125.1°126.0°
C28C27O31108.2°108.1°
C27C28C29106.8°106.8°
C27C28H24126.6°126.7°
C27O31C30109.6°109.5°
C28C29C30107.5°107.0°
C29C28H24126.6°126.6°
C28C29H25126.2°126.5°
O31C30C29107.8°108.6°
O31C30H26126.1°125.7°
C30C29H25126.3°126.4°
C29C30H26126.1°125.7°
H1C10H2109.5°109.5°
H3C13H4109.5°109.6°
H10C14H11109.5°109.5°
H12C11H13109.5°109.5°
H14N01H15109.4°120.0°
H17C06H18109.5°109.5°
H19C07H20109.5°109.4°
H21C08H22109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C17C18C19H7180.0°179.7°
C18C17C16H5180.0°180.0°
C17C18C19C200.0°0.3°
C18C17C16C150.1°0.1°
C17C18C19H8180.0°179.8°
C18C17C16H9179.9°180.0°
C19C18C17C160.0°0.2°
C18C19C20H8180.0°180.0°
C18C19C20C150.1°0.0°
C19C18C17H5180.0°179.7°
C18C19C20H6180.0°179.9°
C17C16C15H9180.0°179.9°
C17C16C15C200.1°0.4°
C17C16C15N12179.9°180.0°
C16C17C18H7180.0°179.9°
C19C20C15C160.1°0.4°
C19C20C15H6180.0°179.9°
C19C20C15N12179.9°180.0°
C20C19C18H7180.0°179.9°
C16C15C20N12179.8°179.6°
C16C15N12C11104.3°0.3°
C16C15N12C1338.3°123.5°
C15C16C17H5179.9°179.9°
C16C15C20H6179.9°179.8°
C07C08N09H21120.4°120.0°
C07C08N09H22120.4°120.0°
C08C07C06H19120.3°120.0°
C08C07C06H20120.3°120.1°
C07C08N09C10165.1°170.0°
C07C08N09C1466.1°66.2°
C08C07C06N05164.3°180.0°
C08C07C06H1775.7°60.0°
C08C07C06H1844.2°60.0°
C08C07H19H20119.1°120.0°
C07C08H21H22118.7°119.9°
N09C08C07C0650.1°180.0°
C08N09C10C14126.7°123.8°
C08N09C10C11165.7°64.5°
C08N09C14C13159.7°64.5°
C08N09C10H145.0°175.5°
C08N09C10H273.6°55.5°
C08N09C14H1079.5°55.5°
C08N09C14H1139.0°175.5°
N09C08C07H19170.4°60.0°
N09C08C07H2070.2°60.0°
N09C08H21H22118.8°120.0°
C20C15N12C1175.5°179.9°
C20C15N12C13141.9°56.1°
C15C20C19H8179.9°179.9°
C20C15C16H9179.9°179.7°
C15N12C11C1085.1°176.8°
C15N12C13C1488.0°176.8°
C15N12C11C13145.9°123.9°
C15N12C13H3151.5°56.8°
C15N12C13H432.5°63.3°
N12C15C20H60.1°0.2°
N12C15C16H90.1°0.1°
C15N12C11H1235.1°63.2°
C15N12C11H13154.7°56.8°
C07C06N05H17120.0°119.9°
C07C06N05H18120.0°120.0°
C07C06N05C0487.5°180.0°
C07C06N05H16151.1°0.1°
C07C06H17H18120.0°120.0°
C06C07H19H20119.1°120.0°
C06C07C08H21170.5°60.0°
C06C07C08H2270.3°59.9°
N09C10C11H1120.7°120.0°
N09C10C11H2120.7°120.0°
C10N09C14C1335.0°59.3°
N09C10C11N1251.8°58.4°
N09C10H1H2117.8°120.1°
C10N09C14H10155.7°179.3°
C10N09C14H1185.8°60.7°
N09C10C11H12172.0°61.6°
N09C10C11H1368.4°178.3°
C10N09C08H2174.4°70.0°
C10N09C08H2244.7°50.0°
C11C10N09C1439.0°59.3°
C10C11N12H12120.2°120.0°
C10C11N12H13120.2°120.0°
C10C11N12C1360.8°59.3°
C11C10H1H2117.8°120.0°
C10C11H12H13119.4°120.1°
N09C14C13H10120.8°119.9°
N09C14C13H11120.8°120.0°
N09C14C13N1243.9°58.4°
C14N09C10H181.7°60.7°
C14N09C10H2159.7°179.3°
N09C14C13H376.6°178.3°
N09C14C13H4164.4°61.5°
N09C14H10H11117.6°120.0°
C14N09C08H2154.3°53.8°
C14N09C08H22173.5°173.7°
C14C13N12C1157.3°59.3°
C14C13N12H3120.5°119.9°
C14C13N12H4120.5°119.9°
C14C13H3H4118.5°120.1°
C13C14H10H11117.6°120.1°
N12C11C10H168.9°61.6°
N12C11C10H2172.5°178.4°
C11N12C13H363.2°179.3°
C11N12C13H4177.8°60.6°
N12C11H12H13119.5°120.0°
N12C13H3H4118.5°120.1°
N12C13C14H10164.7°178.3°
N12C13C14H1176.9°61.7°
C13N12C11H12179.1°60.6°
C13N12C11H1359.4°179.3°
C06N05C04H16121.4°179.9°
C06N05C04N21179.3°179.9°
C06N05C04N031.2°0.1°
N05C06H17H18120.1°120.1°
N05C06C07H1944.0°60.0°
N05C06C07H2075.4°59.9°
N05C04N21N03179.5°179.8°
N05C04N21C22179.8°179.9°
N05C04N03C02179.9°179.7°
C04N05C06H1732.5°60.1°
C04N05C06H18152.5°60.0°
N21C04N03C020.4°0.0°
C04N21C22N23179.9°179.9°
C04N21C22N260.1°0.2°
N21C04N05H1657.9°0.0°
N03C04N21C220.3°0.2°
C04N03C02N260.3°0.1°
C04N03C02N01179.9°179.9°
N03C04N05H16122.6°179.8°
N21C22N23N26179.9°179.8°
N21C22N26C020.1°0.2°
N21C22N23C24179.7°179.8°
N21C22N26N25180.0°179.8°
N03C02N26C220.1°0.0°
N03C02N26N01179.8°180.0°
N03C02N26N25179.9°179.9°
N03C02N01H140.0°179.9°
N03C02N01H15120.0°0.0°
N23C22N26C02180.0°180.0°
N23C22N26N250.1°0.1°
C22N23C24N250.4°0.0°
C22N23C24C27179.3°180.0°
C22N26C02N25179.9°179.9°
C22N26C02N01179.9°180.0°
N26C22N23C240.2°0.1°
C22N26N25C240.3°0.1°
C02N26N25C24179.8°180.0°
N26C02N01H14179.9°0.1°
N26C02N01H1560.2°180.0°
N01C02N26N250.0°0.1°
C02N01H14H15120.0°179.9°
N23C24N25N260.4°0.0°
N23C24N25C27178.9°180.0°
N23C24C27C2817.1°0.0°
N23C24C27O31162.0°179.8°
N26N25C24C27179.4°180.0°
N25C24C27C28164.2°180.0°
N25C24C27O3116.8°0.3°
C24C27C28O31179.2°179.8°
C24C27C28C29179.5°180.0°
C24C27O31C30179.5°179.8°
C24C27C28H240.5°0.0°
C27C28C29H24180.0°180.0°
C28C27O31C300.3°0.4°
C27C28C29C300.2°0.0°
C27C28C29H25179.8°180.0°
O31C27C28C290.3°0.2°
C27O31C30C290.2°0.4°
O31C27C28H24179.7°179.8°
C27O31C30H26179.8°179.8°
C28C29C30O310.0°0.2°
C28C29C30H25180.0°180.0°
C28C29C30H26180.0°180.0°
O31C30C29H26180.0°179.8°
O31C30C29H25180.0°179.8°
C30C29C28H24179.8°180.0°
H1C10C11H1251.3°178.4°
H1C10C11H13170.9°58.4°
H2C10C11H1267.3°58.5°
H2C10C11H1352.3°61.6°
H3C13C14H1044.2°61.7°
H3C13C14H11162.6°58.3°
H4C13C14H1074.8°58.4°
H4C13C14H1143.6°178.4°
H5C17C18H70.0°0.0°
H5C17C16H90.1°0.1°
H6C20C19H80.1°0.1°
H7C18C19H80.0°0.1°
H16N05C06H1788.9°120.0°
H16N05C06H1831.1°119.9°
H17C06C07H19164.0°179.9°
H17C06C07H2044.6°60.0°
H18C06C07H1976.0°60.0°
H18C06C07H20164.5°179.9°
H19C07C08H2169.2°180.0°
H19C07C08H2250.0°60.1°
H20C07C08H2150.2°60.0°
H20C07C08H22169.4°180.0°
H24C28C29H250.1°0.0°
H25C29C30H260.1°0.0°

222624

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