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2I6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
COsing1.43Å1.43Å
OC1sing1.36Å1.38Å
C1C2doub1.39Å1.39ÅAromatic
C1C6sing1.39Å1.39ÅAromatic
C2C3sing1.38Å1.39ÅAromatic
C6C5doub1.39Å1.39ÅAromatic
C3C4doub1.38Å1.38ÅAromatic
C5C4sing1.39Å1.39ÅAromatic
C5C7sing1.48Å1.47Å
NC7doub1.31Å1.35ÅAromatic
NN1sing1.40Å1.36ÅAromatic
C7C9sing1.46Å1.39ÅAromatic
N1C8sing1.34Å1.33ÅAromatic
C9C8doub1.37Å1.41ÅAromatic
C9C10sing1.48Å1.49Å
N2C10doub1.33Å1.33ÅAromatic
N2C11sing1.32Å1.34ÅAromatic
C10C24sing1.42Å1.43ÅAromatic
C11N3doub1.31Å1.32ÅAromatic
N3C12sing1.34Å1.37ÅAromatic
C24C12doub1.42Å1.41ÅAromatic
C24C23sing1.40Å1.41ÅAromatic
C12C13sing1.40Å1.41ÅAromatic
C23C16doub1.37Å1.36ÅAromatic
C19N4sing1.47Å1.47Å
C19C17sing1.54Å1.57Å
C21C20sing1.51Å1.51Å
C21C22sing1.53Å1.55Å
C13C14doub1.37Å1.37ÅAromatic
C16C14sing1.40Å1.41ÅAromatic
C16O2sing1.36Å1.37Å
C20N4sing1.35Å1.35Å
C20O3doub1.21Å1.22Å
N4C18sing1.47Å1.47Å
C14O1sing1.36Å1.37Å
O2C17sing1.43Å1.45Å
C17C18sing1.54Å1.58Å
O1C15sing1.43Å1.43Å
C2H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
C8H3sing1.08Å1.08Å
C11H4sing1.08Å1.08Å
C13H5sing1.08Å1.08Å
C15H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C15H8sing1.09Å1.10Å
C19H9sing1.09Å1.10Å
C19H10sing1.09Å1.10Å
C21H11sing1.09Å1.10Å
C21H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
C22H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C17H18sing1.09Å1.10Å
C23H19sing1.08Å1.08Å
N1H20sing0.97Å1.00Å
C4H21sing1.08Å1.08Å
C6H22sing1.08Å1.08Å
CH23sing1.09Å1.10Å
CH24sing1.09Å1.10Å
CH25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
COC1118.0°117.0°
OCH23109.5°109.5°
OCH24109.5°109.5°
OCH25109.4°109.5°
OC1C2124.3°120.0°
OC1C6115.1°120.0°
C2C1C6120.6°120.0°
C1C2C3119.3°120.2°
C1C2H1120.3°119.9°
C1C6C5119.8°119.8°
C1C6H22120.1°120.1°
C2C3C4120.4°120.2°
C3C2H1120.3°119.9°
C2C3H2119.8°120.0°
C6C5C4119.5°119.8°
C6C5C7119.1°120.1°
C5C6H22120.1°120.1°
C3C4C5120.3°120.0°
C4C3H2119.8°119.9°
C3C4H21119.9°120.1°
C4C5C7120.6°120.1°
C5C4H21119.8°120.0°
C5C7N120.5°126.5°
C5C7C9132.6°126.5°
C7NN1112.6°108.8°
NC7C9106.3°107.0°
NN1C8104.3°109.5°
NN1H20127.8°125.2°
C7C9C8104.4°106.6°
C7C9C10127.7°126.7°
N1C8C9112.2°108.1°
N1C8H3123.9°125.9°
C8N1H20127.9°125.3°
C8C9C10127.6°126.7°
C9C8H3123.9°126.0°
C9C10N2117.2°121.0°
C9C10C24120.6°120.9°
C10N2C11116.4°121.5°
N2C10C24122.1°118.1°
N2C11N3128.7°123.0°
N2C11H4115.6°118.5°
C10C24C12115.6°118.2°
C10C24C23125.0°122.0°
C11N3C12115.0°120.6°
N3C11H4115.6°118.5°
N3C12C24122.2°118.7°
N3C12C13118.3°121.9°
C12C24C23119.0°119.8°
C24C12C13119.2°119.4°
C24C23C16120.9°119.5°
C24C23H19119.5°120.2°
C12C13C14120.3°119.6°
C12C13H5119.9°120.2°
C23C16C14120.1°120.7°
C23C16O2123.7°119.7°
C16C23H19119.6°120.2°
N4C19C1784.1°88.0°
C19N4C20131.6°136.0°
C19N4C1892.4°87.9°
N4C19H9115.4°113.5°
N4C19H10115.4°113.5°
C19C17O2111.7°114.2°
C19C17C1884.5°83.3°
C17C19H9115.3°113.4°
C17C19H10115.4°113.4°
C19C17H18113.8°114.2°
C20C21C22112.1°109.5°
C21C20N4116.6°120.0°
C21C20O3121.0°120.0°
C20C21H11108.8°109.5°
C20C21H12108.8°109.4°
C22C21H11108.8°109.5°
C22C21H12108.8°109.4°
C21C22H13109.5°109.4°
C21C22H14109.5°109.5°
C21C22H15109.5°109.4°
C13C14C16120.3°120.9°
C13C14O1125.1°119.5°
C14C13H5119.8°120.2°
C14C16O2116.2°119.6°
C16C14O1114.5°119.6°
C16O2C17118.7°117.0°
N4C20O3122.4°120.0°
C20N4C18136.0°136.1°
N4C18C1783.8°88.0°
N4C18H16115.4°113.4°
N4C18H17115.5°113.5°
C14O1C15117.9°117.0°
O2C17C18113.4°114.2°
O2C17H18115.9°113.5°
C17C18H16115.4°113.5°
C17C18H17115.4°113.6°
C18C17H18113.7°114.2°
O1C15H6109.5°109.4°
O1C15H7109.5°109.5°
O1C15H8109.5°109.4°
H6C15H7109.5°109.5°
H6C15H8109.5°109.5°
H7C15H8109.5°109.4°
H9C19H10109.5°112.8°
H11C21H12109.5°109.5°
H13C22H14109.5°109.5°
H13C22H15109.4°109.5°
H14C22H15109.5°109.5°
H16C18H17109.5°112.7°
H23CH24109.4°109.5°
H23CH25109.5°109.5°
H24CH25109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
COC1C229.4°0.0°
COC1C6149.2°179.8°
OCH23H24120.0°120.0°
OCH23H25120.0°120.0°
OCH24H25120.0°120.0°
OC1C2C6178.5°179.8°
OC1C2C3179.2°179.8°
OC1C6C5176.6°179.7°
OC1C2H10.8°0.2°
OC1C6H223.4°0.2°
C1OCH23180.0°180.0°
C1OCH2460.0°60.0°
C1OCH2560.0°60.0°
C1C2C3H1180.0°180.0°
C2C1C6C52.0°0.0°
C1C2C3C41.4°0.0°
C1C2C3H2178.6°180.0°
C2C1C6H22178.0°180.0°
C6C1C2C30.7°0.0°
C1C6C5H22180.0°180.0°
C1C6C5C43.9°0.0°
C1C6C5C7166.1°180.0°
C6C1C2H1179.3°180.0°
C2C3C4H2180.0°180.0°
C2C3C4C50.5°0.0°
C2C3C4H21179.5°179.9°
C6C5C4C33.2°0.0°
C6C5C4C7169.8°180.0°
C6C5C7N45.1°41.6°
C6C5C7C9125.7°138.6°
C6C5C4H21176.8°179.9°
C3C4C5H21180.0°179.9°
C3C4C5C7166.6°180.0°
C4C3C2H1178.6°180.0°
C4C5C7N124.8°138.4°
C4C5C7C964.4°41.4°
C5C4C3H2179.5°180.0°
C4C5C6H22176.1°180.0°
C5C7NC9173.0°179.8°
C5C7NN1170.2°179.7°
C5C7C9C8168.5°179.7°
C5C7C9C1017.1°0.2°
C7C5C4H2113.4°0.1°
C7C5C6H2213.9°0.0°
C7NN1C81.0°0.0°
NC7C9C83.3°0.1°
NC7C9C10171.1°180.0°
C7NN1H20179.0°180.0°
N1NC7C92.8°0.1°
NN1C8H20180.0°179.9°
NN1C8C91.2°0.0°
NN1C8H3178.8°180.0°
C7C9C8N12.9°0.0°
C7C9C8C10174.4°180.0°
C7C9C10N242.4°48.6°
C7C9C10C24141.5°131.7°
C7C9C8H3177.1°179.9°
N1C8C9H3180.0°179.9°
N1C8C9C10171.5°180.0°
C8C9C10N2144.5°131.4°
C8C9C10C2431.7°48.3°
C9C8N1H20178.8°179.9°
C9C10N2C24176.1°179.7°
C9C10N2C11176.8°180.0°
C9C10C24C12176.0°179.9°
C9C10C24C233.4°0.0°
C10C9C8H38.4°0.1°
C10N2C11N30.1°0.1°
N2C10C24C120.1°0.2°
N2C10C24C23172.5°179.8°
C10N2C11H4179.9°179.8°
C11N2C10C240.7°0.3°
N2C11N3H4180.0°179.8°
N2C11N3C121.1°0.2°
C10C24C12N31.2°0.0°
C10C24C12C23173.1°180.0°
C10C24C12C13172.0°180.0°
C10C24C23C16169.2°180.0°
C10C24C23H1910.8°0.0°
C11N3C12C241.7°0.2°
C11N3C12C13171.5°179.8°
N3C12C24C13173.2°179.9°
N3C12C24C23174.2°180.0°
N3C12C13C14171.2°180.0°
C12N3C11H4178.9°180.0°
N3C12C13H58.8°0.1°
C12C24C23C163.1°0.0°
C24C12C13C142.3°0.1°
C24C12C13H5177.7°180.0°
C12C24C23H19176.8°179.9°
C23C24C12C131.1°0.0°
C24C23C16H19180.0°180.0°
C24C23C16C141.9°0.1°
C24C23C16O2178.3°180.0°
C12C13C14H5180.0°179.9°
C12C13C14C163.6°0.1°
C12C13C14O1171.7°179.9°
C23C16C14C131.5°0.1°
C23C16C14O2179.8°179.9°
C23C16C14O1174.2°179.9°
C23C16O2C1764.1°5.6°
N4C19C17H9115.3°114.8°
N4C19C17H10115.4°114.8°
C19N4C20C2138.0°180.0°
C19N4C20C18177.4°179.9°
C19N4C20O3143.0°0.0°
N4C19C17O2140.8°139.6°
N4C19C17C1827.8°26.1°
N4C19H9H10132.2°130.9°
C19N4C18H16145.1°141.9°
C19N4C18H1785.4°87.8°
N4C19C17H1885.6°87.5°
C19C17O2C1660.3°157.1°
C17C19N4C20148.1°153.0°
C19C17O2C1893.4°93.6°
C19C17O2H18132.5°133.2°
C19C17C18H18113.6°113.5°
C17C19H9H10132.1°130.7°
C19C17C18H16143.1°140.8°
C19C17C18H1787.5°88.7°
C20C21C22H11120.4°120.1°
C20C21C22H12120.4°119.9°
C21C20N4O3179.0°180.0°
C21C20N4C18139.3°0.1°
C20C21H11H12118.8°119.9°
C20C21C22H13180.0°180.0°
C20C21C22H1460.0°60.0°
C20C21C22H1560.0°60.1°
C22C21C20N4118.1°179.9°
C22C21C20O360.9°0.0°
C22C21H11H12118.8°120.0°
C21C22H13H14120.0°120.0°
C21C22H13H15120.0°119.9°
C21C22H14H15120.0°120.0°
C13C14C16O1175.7°180.0°
C13C14C16O2178.3°180.0°
C13C14O1C1523.8°0.0°
C14C16O2C17116.1°174.3°
C16C14O1C15160.7°180.0°
C16C14C13H5176.4°180.0°
C14C16C23H19178.1°179.9°
O2C16C14O16.0°0.0°
C16O2C17C18153.7°109.3°
C16O2C17H1872.2°23.9°
O2C16C23H191.7°0.0°
C20N4C18C17148.2°153.0°
C20N4C19H996.5°92.3°
C20N4C19H1032.8°38.2°
N4C20C21H112.3°60.0°
N4C20C21H12121.5°60.0°
C20N4C18H1632.9°38.2°
C20N4C18H1796.6°92.2°
O3C20N4C1839.6°179.9°
O3C20C21H11178.7°120.1°
O3C20C21H1259.5°120.0°
N4C18C17O2139.1°139.7°
N4C18C17H16115.3°114.7°
N4C18C17H17115.3°114.8°
C18N4C19H985.3°87.6°
C18N4C19H10145.4°141.9°
N4C18H16H17132.3°130.7°
N4C18C17H1885.8°87.5°
O1C14C13H58.3°0.0°
C14O1C15H6180.0°60.0°
C14O1C15H760.0°60.0°
C14O1C15H860.0°180.0°
O2C17C18H18135.1°132.9°
O2C17C19H925.5°24.9°
O2C17C19H10103.8°105.5°
O2C17C18H16105.7°105.6°
O2C17C18H1723.8°24.9°
C18C17C19H987.5°88.7°
C18C17C19H10143.2°140.9°
C17C18H16H17132.3°130.9°
O1C15H6H7120.0°120.0°
O1C15H6H8120.0°120.0°
O1C15H7H8120.0°119.9°
H1C2C3H21.4°0.0°
H2C3C4H210.6°0.0°
H3C8N1H201.2°0.1°
H6C15H7H8120.0°120.1°
H9C19C17H18159.0°157.7°
H10C19C17H1829.7°27.3°
H11C21C22H1359.6°59.9°
H11C21C22H14179.6°180.0°
H11C21C22H1560.4°60.0°
H12C21C22H1359.6°60.1°
H12C21C22H1460.4°60.0°
H12C21C22H15179.6°180.0°
H13C22H14H15120.0°120.1°
H16C18C17H1829.4°27.3°
H17C18C17H18158.9°157.7°
H23CH24H25120.0°120.0°

226262

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