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A1H14

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.39ÅAromatic
C1C6sing1.39Å1.38ÅAromatic
C2C3sing1.38Å1.38ÅAromatic
C3C4doub1.38Å1.38ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
C5C6doub1.39Å1.37ÅAromatic
C6O1sing1.36Å1.39Å
O1C7sing1.36Å1.40Å
C7C8doub1.39Å1.38ÅAromatic
C7C10sing1.39Å1.38ÅAromatic
C8C9sing1.38Å1.38ÅAromatic
C9C12doub1.39Å1.39ÅAromatic
C10C11doub1.38Å1.38ÅAromatic
C11C12sing1.40Å1.39ÅAromatic
C12C13sing1.48Å1.48Å
C13N1doub1.31Å1.31ÅAromatic
C13C14sing1.46Å1.51ÅAromatic
N1N5sing1.40Å1.38ÅAromatic
C14C15sing1.40Å1.50ÅAromatic
C14C17doub1.41Å1.56ÅAromatic
C15N2sing1.38Å1.38Å
C15N3doub1.33Å1.30ÅAromatic
N3C16sing1.32Å1.35ÅAromatic
C16N4doub1.31Å1.31ÅAromatic
N4C17sing1.33Å1.47ÅAromatic
C17N5sing1.36Å1.47ÅAromatic
N5C18sing1.47Å1.49Å
C18C19sing1.53Å1.53Å
C18C20sing1.53Å1.52Å
C19N6sing1.47Å1.47Å
C20C21sing1.53Å1.53Å
C21C22sing1.53Å1.52Å
C22N6sing1.47Å1.47Å
N6C23sing1.35Å1.35Å
C23O2doub1.22Å1.23Å
C23C24sing1.47Å1.49Å
C24C25doub1.33Å1.31Å
C4H4sing1.08Å1.08Å
C5H5sing1.08Å1.08Å
C8H6sing1.08Å1.08Å
C10H8sing1.08Å1.08Å
C20H19sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C24H24sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C9H7sing1.08Å1.08Å
C11H9sing1.08Å1.08Å
N2H11sing0.97Å1.00Å
N2H12sing0.97Å1.00Å
C16H13sing1.08Å1.08Å
C18H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C25H26sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6119.2°119.9°
C1C2C3120.5°120.1°
C2C1H1120.4°120.1°
C1C2H2119.8°119.9°
C1C6C5121.2°119.9°
C1C6O1118.0°120.0°
C6C1H1120.4°120.1°
C2C3C4119.2°120.1°
C3C2H2119.8°120.0°
C2C3H3120.4°120.0°
C3C4C5121.1°120.0°
C3C4H4119.5°119.9°
C4C3H3120.4°119.9°
C4C5C6118.7°120.0°
C5C4H4119.4°120.0°
C4C5H5120.6°120.0°
C5C6O1120.7°120.0°
C6C5H5120.7°120.0°
C6O1C7122.0°118.0°
O1C7C8124.2°119.9°
O1C7C10115.5°119.9°
C8C7C10120.3°120.1°
C7C8C9119.9°120.1°
C7C8H6120.1°120.0°
C7C10C11119.7°120.1°
C7C10H8120.2°119.9°
C8C9C12120.5°119.9°
C9C8H6120.1°120.0°
C8C9H7119.8°120.0°
C9C12C11118.7°119.8°
C9C12C13121.6°120.1°
C12C9H7119.8°120.0°
C10C11C12120.8°119.9°
C11C10H8120.1°120.0°
C10C11H9119.6°120.1°
C11C12C13119.7°120.1°
C12C11H9119.6°120.0°
C12C13N1124.0°126.3°
C12C13C14122.6°126.3°
N1C13C14113.4°107.3°
C13N1N5104.0°109.9°
C13C14C15117.6°135.0°
C13C14C17102.2°106.5°
N1N5C17114.7°109.5°
N1N5C18121.0°125.3°
C15C14C17112.9°118.5°
C14C15N2117.5°120.8°
C14C15N3123.3°118.3°
C14C17N4114.5°118.7°
C14C17N599.5°106.8°
N2C15N3118.6°120.8°
C15N2H11109.5°120.0°
C15N2H12109.5°120.0°
C15N3C16116.6°121.1°
N3C16N4128.8°122.7°
N3C16H13115.6°118.6°
C16N4C17116.8°120.7°
N4C16H13115.6°118.7°
N4C17N5116.4°134.5°
C17N5C18123.8°125.2°
N5C18C19113.7°109.5°
N5C18C20112.5°109.5°
N5C18H15107.3°109.5°
C19C18C20109.0°109.3°
C18C19N6110.6°108.8°
C19C18H15106.9°109.5°
C18C19H16109.2°109.6°
C18C19H17109.2°109.7°
C18C20C21108.6°109.5°
C18C20H19109.7°109.5°
C18C20H18109.7°109.4°
C20C18H15107.0°109.6°
C19N6C22114.8°118.7°
C19N6C23122.6°120.6°
N6C19H16109.2°109.6°
N6C19H17109.2°109.6°
C20C21C22110.6°109.3°
C21C20H19109.7°109.5°
C21C20H18109.7°109.5°
C20C21H21109.2°109.5°
C20C21H20109.2°109.5°
C21C22N6112.8°108.8°
C22C21H21109.2°109.5°
C22C21H20109.2°109.5°
C21C22H23108.7°109.6°
C21C22H22108.6°109.6°
C22N6C23122.1°120.6°
N6C22H23108.6°109.6°
N6C22H22108.7°109.6°
N6C23O2120.1°120.0°
N6C23C24119.0°120.0°
O2C23C24120.8°120.0°
C23C24C25121.5°120.0°
C23C24H24119.2°120.0°
C25C24H24119.2°120.0°
C24C25H26120.0°120.0°
C24C25H25120.0°120.0°
H19C20H18109.5°109.5°
H21C21H20109.5°109.5°
H23C22H22109.4°109.6°
H11N2H12109.5°119.9°
H16C19H17109.5°109.7°
H26C25H25120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°179.8°
C1C2C3H2180.0°179.7°
C1C2C3C40.6°0.6°
C2C1C6C52.7°0.0°
C2C1C6O1179.5°179.9°
C1C2C3H3179.4°180.0°
C6C1C2C32.2°0.3°
C1C6C5C41.7°0.1°
C1C6C5O1177.7°180.0°
C1C6O1C7120.3°175.2°
C1C6C5H5178.3°179.9°
C6C1C2H2177.8°180.0°
C2C3C4H3180.0°179.4°
C2C3C4C50.4°0.6°
C2C3C4H4179.7°179.8°
C3C2C1H1177.8°179.9°
C3C4C5H4180.0°179.6°
C3C4C5C60.1°0.4°
C3C4C5H5179.8°179.8°
C4C3C2H2179.4°179.7°
C4C5C6H5180.0°179.8°
C4C5C6O1179.4°179.9°
C5C4C3H3179.6°180.0°
C5C6O1C761.9°4.8°
C6C5C4H4179.8°180.0°
C5C6C1H1177.3°179.8°
C6O1C7C88.7°75.6°
C6O1C7C10172.9°104.8°
O1C6C5H50.6°0.1°
O1C6C1H10.5°0.2°
O1C7C8C10178.4°179.7°
O1C7C8C9179.6°179.7°
O1C7C10C11179.9°179.8°
O1C7C8H60.5°0.2°
O1C7C10H80.1°0.3°
C7C8C9H6180.0°180.0°
C7C8C9C122.4°0.0°
C8C7C10C111.4°0.1°
C8C7C10H8178.6°180.0°
C7C8C9H7177.6°180.0°
C10C7C8C92.1°0.1°
C7C10C11H8180.0°179.9°
C7C10C11C121.0°0.1°
C10C7C8H6177.9°179.9°
C7C10C11H9179.0°180.0°
C8C9C12H7180.0°180.0°
C8C9C12C111.9°0.0°
C8C9C12C13178.9°179.9°
C9C12C11C101.3°0.0°
C9C12C11C13179.2°179.9°
C9C12C13N129.0°132.6°
C9C12C13C14152.7°47.5°
C12C9C8H6177.6°180.0°
C9C12C11H9178.7°180.0°
C10C11C12H9180.0°179.9°
C10C11C12C13179.5°180.0°
C11C12C13N1150.2°47.3°
C11C12C13C1428.1°132.6°
C12C11C10H8179.0°180.0°
C11C12C9H7178.0°180.0°
C12C13N1C14178.4°179.9°
C12C13N1N5155.5°180.0°
C12C13C14C1569.0°0.1°
C12C13C14C17166.7°179.9°
C13C12C9H71.2°0.0°
C13C12C11H90.5°0.1°
N1C13C14C15112.5°180.0°
N1C13C14C1711.7°0.0°
C13N1N5C1726.9°0.0°
C13N1N5C18144.7°180.0°
C14C13N1N523.0°0.1°
C13C14C15C17118.7°180.0°
C13C14C15N253.5°0.0°
C13C14C15N3135.2°180.0°
C13C14C17N4120.7°180.0°
C13C14C17N54.1°0.0°
N1N5C17C1418.9°0.0°
N1N5C17N4104.7°179.9°
N1N5C17C18171.3°180.0°
N1N5C18C19168.3°60.1°
N1N5C18C2043.8°59.8°
N1N5C18H1573.7°179.9°
C14C15N2N3171.8°180.0°
C14C15N3C1621.8°0.1°
C15C14C17N46.6°0.0°
C15C14C17N5131.5°180.0°
C14C15N2H11171.8°176.0°
C14C15N2H1268.2°3.9°
C17C14C15N2172.1°180.0°
C17C14C15N316.5°0.0°
C14C17N4C1623.6°0.0°
C14C17N4N5115.4°180.0°
C14C17N5C18152.4°180.0°
N2C15N3C16167.0°179.9°
C15N2H11H12120.0°180.0°
C15N3C16N41.7°0.1°
N3C15N2H110.0°3.9°
N3C15N2H12120.0°176.1°
C15N3C16H13178.3°180.0°
N3C16N4H13180.0°179.9°
N3C16N4C1721.9°0.1°
C16N4C17N5139.0°179.9°
N4C17N5C1884.0°0.0°
C17N4C16H13158.1°180.0°
C17N5C18C1920.9°120.0°
C17N5C18C20145.4°120.2°
C17N5C18H1597.1°0.0°
N5C18C19C20126.4°120.0°
N5C18C19H15118.3°120.0°
N5C18C20H15117.7°120.1°
N5C18C19N6175.0°174.6°
N5C18C20C21171.3°178.7°
N5C18C20H1951.4°61.3°
N5C18C20H1868.8°58.7°
N5C18C19H1664.8°54.8°
N5C18C19H1754.9°65.6°
C19C18C20H15115.3°119.9°
C18C19N6H16120.2°119.8°
C18C19N6H17120.2°119.9°
C19C18C20C2161.7°61.3°
C18C19N6C2252.8°53.5°
C18C19N6C23134.8°126.4°
C19C18C20H19178.5°58.7°
C19C18C20H1858.2°178.7°
C18C19H16H17119.5°120.4°
C20C18C19N658.6°54.6°
C18C20C21H19119.9°120.0°
C18C20C21H18119.9°119.9°
C18C20C21C2258.3°61.3°
C18C20H19H18120.5°119.9°
C18C20C21H2161.8°58.6°
C18C20C21H20178.5°178.7°
C20C18C19H1661.6°65.2°
C20C18C19H17178.8°174.4°
C19N6C22C2149.7°53.6°
C19N6C22C23172.4°179.9°
C19N6C23O261.1°174.7°
C19N6C23C24115.2°5.4°
C19N6C22H23170.2°173.3°
C19N6C22H2270.8°66.3°
N6C19C18H1556.8°65.4°
N6C19H16H17119.5°120.3°
C20C21C22H21120.2°119.9°
C20C21C22H20120.2°120.0°
C20C21C22N651.8°54.6°
C21C20H19H18120.4°120.0°
C20C21H21H20119.5°120.1°
C20C21C22H23172.3°174.4°
C20C21C22H2268.7°65.2°
C21C20C18H1553.6°58.6°
C21C22N6H23120.5°119.8°
C21C22N6H22120.5°119.8°
C21C22N6C23137.9°126.4°
C22C21C20H19178.2°58.7°
C22C21C20H1861.5°178.7°
C22C21H21H20119.5°120.1°
C21C22H23H22118.5°120.3°
C22N6C23O2110.8°5.4°
C22N6C23C2472.9°174.6°
N6C22C21H2168.4°65.3°
N6C22C21H20171.9°174.6°
N6C22H23H22118.5°120.4°
C22N6C19H1667.4°66.2°
C22N6C19H17173.0°173.4°
N6C23O2C24176.2°180.0°
N6C23C24C25161.7°174.7°
C23N6C22H2317.4°6.6°
C23N6C22H22101.6°113.8°
N6C23C24H2418.3°5.2°
C23N6C19H16105.0°113.8°
C23N6C19H1714.6°6.5°
O2C23C24C2514.6°5.3°
O2C23C24H24165.4°174.7°
C23C24C25H24180.0°179.9°
C23C24C25H26180.0°180.0°
C23C24C25H250.0°0.1°
C24C25H26H25180.0°179.9°
H4C4C5H50.2°0.2°
H4C4C3H30.3°0.4°
H6C8C9H72.4°0.0°
H8C10C11H91.0°0.1°
H19C20C21H2158.1°178.6°
H19C20C21H2061.6°61.3°
H19C20C18H1566.2°178.6°
H18C20C21H21178.3°61.4°
H18C20C21H2058.6°58.7°
H18C20C18H15173.5°61.4°
H21C21C22H2352.1°54.5°
H21C21C22H22171.1°174.8°
H20C21C22H2367.6°65.6°
H20C21C22H2251.4°54.7°
H24C24C25H260.0°0.1°
H24C24C25H25180.0°180.0°
H1C1C2H22.2°0.3°
H2C2C3H30.6°0.4°
H15C18C19H16177.0°174.8°
H15C18C19H1763.4°54.4°

221051

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