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UHS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11N2doub1.32Å1.34ÅAromatic
C11C12sing1.38Å1.38ÅAromatic
N2C10sing1.32Å1.34ÅAromatic
C12C13doub1.39Å1.38ÅAromatic
C10C9doub1.38Å1.39ÅAromatic
CC1sing1.53Å1.50Å
C13C9sing1.39Å1.39ÅAromatic
C9C3sing1.51Å1.52Å
O1C4doub1.21Å1.23Å
C1C2sing1.51Å1.51Å
C3C4sing1.51Å1.54Å
C3Nsing1.46Å1.49Å
C2Odoub1.21Å1.22Å
C2Nsing1.35Å1.40Å
C4N1sing1.35Å1.34Å
NC14sing1.39Å1.44Å
C16C14sing1.42Å1.42ÅAromatic
C16C15doub1.35Å1.34ÅAromatic
C18C17sing1.53Å1.53Å
C14N3doub1.31Å1.36ÅAromatic
N1C5sing1.47Å1.48Å
C8C5sing1.53Å1.52Å
C7C5sing1.53Å1.52Å
C5C6sing1.53Å1.52Å
C15C17sing1.51Å1.52Å
C15O2sing1.34Å1.35ÅAromatic
C17C20sing1.53Å1.53Å
C17C19sing1.53Å1.53Å
N3O2sing1.21Å1.42ÅAromatic
N1H1sing0.97Å1.00Å
C6H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C6H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H9sing1.09Å1.10Å
C8H10sing1.09Å1.10Å
C10H11sing1.08Å1.08Å
C13H12sing1.08Å1.08Å
C20H13sing1.09Å1.10Å
C20H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C3H16sing1.09Å1.10Å
C16H17sing1.08Å1.08Å
C19H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
C1H24sing1.09Å1.10Å
C1H25sing1.09Å1.10Å
CH26sing1.09Å1.10Å
CH27sing1.09Å1.10Å
CH28sing1.09Å1.10Å
C12H29sing1.08Å1.08Å
C11H30sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C11C12123.3°120.8°
C11N2C10117.2°121.7°
N2C11H30118.3°119.6°
C11C12C13118.3°119.1°
C11C12H29120.9°120.5°
C12C11H30118.4°119.6°
N2C10C9124.3°120.8°
N2C10H11117.9°119.6°
C12C13C9120.3°118.4°
C12C13H12119.9°120.8°
C13C12H29120.9°120.4°
C10C9C13116.6°119.2°
C10C9C3122.7°120.4°
C9C10H11117.8°119.6°
CC1C2112.0°109.5°
CC1H24108.8°109.5°
CC1H25108.8°109.5°
C1CH26109.5°109.4°
C1CH27109.5°109.5°
C1CH28109.5°109.5°
C13C9C3120.5°120.4°
C9C13H12119.9°120.8°
C9C3C4112.0°109.4°
C9C3N115.9°109.5°
C9C3H16105.1°109.5°
O1C4C3121.0°120.0°
O1C4N1124.6°120.0°
C1C2O122.2°120.0°
C1C2N119.1°120.0°
C2C1H24108.8°109.5°
C2C1H25108.8°109.4°
C4C3N112.3°109.5°
C3C4N1114.3°120.0°
C4C3H16105.0°109.4°
C3NC2124.2°120.0°
C3NC14121.9°120.0°
NC3H16105.5°109.5°
OC2N118.7°120.0°
C2NC14113.7°120.0°
C4N1C5126.7°120.0°
C4N1H1116.6°120.0°
NC14C16128.5°126.9°
NC14N3120.5°126.9°
C14C16C15105.0°104.0°
C16C14N3111.0°106.2°
C14C16H17127.5°128.0°
C16C15C17130.3°126.7°
C16C15O2110.8°106.6°
C15C16H17127.5°128.0°
C18C17C15109.9°109.5°
C18C17C20108.8°109.5°
C18C17C19108.9°109.5°
C17C18H21109.5°109.5°
C17C18H22109.4°109.5°
C17C18H23109.5°109.4°
C14N3O2104.2°111.4°
N1C5C8111.4°109.5°
N1C5C7108.5°109.5°
N1C5C6107.1°109.5°
C5N1H1116.6°120.0°
C8C5C7110.0°109.5°
C8C5C6109.7°109.5°
C5C8H8109.5°109.5°
C5C8H9109.5°109.5°
C5C8H10109.4°109.5°
C7C5C6110.1°109.5°
C5C7H5109.5°109.5°
C5C7H6109.5°109.5°
C5C7H7109.5°109.4°
C5C6H2109.5°109.5°
C5C6H3109.5°109.5°
C5C6H4109.5°109.5°
C17C15O2118.8°126.7°
C15C17C20110.1°109.5°
C15C17C19109.2°109.5°
C15O2N3109.0°111.8°
C20C17C19109.9°109.5°
C17C20H13109.5°109.5°
C17C20H14109.4°109.5°
C17C20H15109.5°109.5°
C17C19H18109.5°109.5°
C17C19H19109.5°109.5°
C17C19H20109.5°109.5°
H2C6H3109.4°109.5°
H2C6H4109.5°109.4°
H3C6H4109.5°109.5°
H5C7H6109.5°109.5°
H5C7H7109.5°109.5°
H6C7H7109.4°109.5°
H8C8H9109.5°109.5°
H8C8H10109.5°109.5°
H9C8H10109.5°109.5°
H13C20H14109.5°109.5°
H13C20H15109.5°109.5°
H14C20H15109.5°109.5°
H18C19H19109.5°109.4°
H18C19H20109.5°109.5°
H19C19H20109.4°109.5°
H21C18H22109.5°109.5°
H21C18H23109.5°109.5°
H22C18H23109.5°109.5°
H24C1H25109.5°109.4°
H26CH27109.4°109.5°
H26CH28109.5°109.5°
H27CH28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C11C12H30180.0°179.5°
N2C11C12C131.2°0.7°
C11N2C10C90.2°0.0°
C11N2C10H11179.8°179.7°
N2C11C12H29178.8°179.7°
C12C11N2C101.2°0.5°
C11C12C13H29180.0°179.6°
C11C12C13C90.2°0.4°
C11C12C13H12179.8°179.6°
N2C10C9H11180.0°179.7°
N2C10C9C131.4°0.2°
N2C10C9C3174.2°179.8°
C10N2C11H30178.8°180.0°
C12C13C9C101.4°0.0°
C12C13C9H12180.0°180.0°
C12C13C9C3174.3°180.0°
C13C12C11H30178.8°179.8°
C10C9C13C3175.7°179.9°
C10C9C3C480.4°97.3°
C10C9C3N50.1°22.7°
C10C9C13H12178.6°180.0°
C10C9C3H16166.2°142.8°
CC1C2H24120.4°120.1°
CC1C2H25120.4°120.0°
CC1C2O56.7°4.0°
CC1C2N124.7°175.9°
CC1H24H25118.8°120.0°
C1CH26H27120.0°120.0°
C1CH26H28120.0°120.0°
C1CH27H28120.0°120.0°
C13C9C3C495.0°82.8°
C13C9C3N134.4°157.2°
C13C9C10H11178.6°180.0°
C13C9C3H1618.4°37.1°
C9C13C12H29179.8°179.9°
C9C3C4O145.1°124.4°
C9C3C4N132.3°120.0°
C9C3C4H16113.5°120.0°
C9C3NH16115.8°120.1°
C9C3NC240.1°113.7°
C9C3C4N1133.4°55.6°
C9C3NC14145.6°66.4°
C3C9C10H115.8°0.1°
C3C9C13H125.6°0.1°
O1C4C3N1178.5°179.9°
O1C4C3N87.2°4.4°
O1C4N1C59.3°0.0°
O1C4N1H1170.7°179.7°
O1C4C3H16158.6°115.6°
C1C2NC3135.8°3.8°
C1C2ON178.6°179.9°
C1C2NC1449.4°176.2°
C2C1H24H25118.8°119.9°
C2C1CH26180.0°60.1°
C2C1CH2760.0°180.0°
C2C1CH2860.0°60.0°
C4C3NH16113.8°120.0°
C4C3NC2170.4°126.4°
C4C3NC1415.2°53.6°
C3C4N1C5172.3°180.0°
C3C4N1H17.7°0.3°
C3NC2O45.5°176.1°
C3NC2C14174.8°180.0°
NC3C4N194.3°175.7°
C3NC14C1662.5°4.9°
C3NC14N3116.2°175.1°
OC2NC14129.2°3.9°
OC2C1H2463.7°124.1°
OC2C1H25177.1°115.9°
C2NC14C16122.6°175.1°
C2NC14N358.7°5.0°
C2NC3H1675.8°6.4°
NC2C1H24114.9°55.8°
NC2C1H254.3°64.1°
C4N1C5H1180.0°179.7°
C4N1C5C830.0°60.3°
C4N1C5C791.2°179.7°
C4N1C5C6149.9°59.7°
N1C4C3H1619.9°64.3°
NC14C16N3178.8°179.9°
NC14C16C15177.8°180.0°
NC14N3O2178.4°180.0°
C14NC3H1698.6°173.6°
NC14C16H172.2°0.1°
C14C16C15H17180.0°179.9°
C14C16C15C17175.0°180.0°
C14C16C15O21.1°0.0°
C16C14N3O20.5°0.0°
C16C15C17C1817.7°60.0°
C15C16C14N31.0°0.0°
C16C15C17O2175.9°180.0°
C16C15C17C20137.6°60.0°
C16C15C17C19101.7°180.0°
C16C15O2N30.8°0.0°
C18C17C15C20119.9°120.0°
C18C17C15C19119.4°120.0°
C18C17C15O2166.4°120.0°
C18C17C20C19119.2°120.0°
C18C17C20H13180.0°180.0°
C18C17C20H1460.0°60.0°
C18C17C20H1560.0°60.0°
C18C17C19H18180.0°60.0°
C18C17C19H1960.0°60.0°
C18C17C19H2060.0°180.0°
C17C18H21H22120.0°120.1°
C17C18H21H23120.0°120.0°
C17C18H22H23120.0°120.0°
C14N3O2C150.1°0.0°
N3C14C16H17179.0°180.0°
N1C5C8C7120.4°120.0°
N1C5C8C6118.4°120.0°
N1C5C7C6116.9°120.0°
N1C5C6H2180.0°60.0°
N1C5C6H360.0°180.0°
N1C5C6H460.0°60.0°
N1C5C7H5180.0°60.0°
N1C5C7H660.0°180.0°
N1C5C7H760.0°60.0°
N1C5C8H8180.0°60.0°
N1C5C8H960.0°180.0°
N1C5C8H1060.0°60.0°
C8C5C7C6121.0°120.0°
C8C5N1H1150.0°120.0°
C8C5C6H259.0°180.0°
C8C5C6H3179.0°60.0°
C8C5C6H461.1°60.0°
C8C5C7H557.9°60.0°
C8C5C7H662.1°60.0°
C8C5C7H7177.9°180.0°
C5C8H8H9120.0°120.0°
C5C8H8H10120.0°120.0°
C5C8H9H10120.0°120.0°
C7C5N1H188.8°0.0°
C7C5C6H262.2°60.0°
C7C5C6H357.8°60.0°
C7C5C6H4177.8°180.0°
C5C7H5H6120.0°120.0°
C5C7H5H7120.0°120.0°
C5C7H6H7120.0°120.0°
C7C5C8H859.6°180.0°
C7C5C8H9179.6°60.0°
C7C5C8H1060.4°60.0°
C6C5N1H130.1°120.0°
C5C6H2H3120.0°120.0°
C5C6H2H4120.0°120.0°
C5C6H3H4120.0°120.0°
C6C5C7H563.1°180.0°
C6C5C7H6176.9°60.0°
C6C5C7H757.0°60.0°
C6C5C8H861.6°60.0°
C6C5C8H958.4°60.0°
C6C5C8H10178.4°180.0°
C15C17C20C19120.3°120.0°
C17C15O2N3175.8°180.0°
C15C17C20H1359.5°60.0°
C15C17C20H1460.5°180.0°
C15C17C20H15179.5°60.0°
C17C15C16H174.9°0.0°
C15C17C19H1860.0°60.0°
C15C17C19H19180.0°180.0°
C15C17C19H2060.1°60.1°
C15C17C18H21180.0°60.0°
C15C17C18H2260.0°180.0°
C15C17C18H2360.0°60.0°
O2C15C17C2046.6°120.0°
O2C15C17C1974.2°0.0°
O2C15C16H17178.9°180.0°
C17C20H13H14120.0°120.0°
C17C20H13H15120.0°120.0°
C17C20H14H15120.0°120.0°
C20C17C19H1860.9°180.0°
C20C17C19H1959.2°60.0°
C20C17C19H20179.1°60.0°
C20C17C18H2159.4°60.0°
C20C17C18H2260.6°60.0°
C20C17C18H23179.4°180.0°
C19C17C20H1360.8°60.0°
C19C17C20H14179.2°60.0°
C19C17C20H1559.2°180.0°
C17C19H18H19120.0°120.0°
C17C19H18H20120.0°120.0°
C17C19H19H20120.0°120.0°
C19C17C18H2160.4°180.0°
C19C17C18H22179.6°60.0°
C19C17C18H2359.6°60.0°
H2C6H3H4120.0°120.0°
H5C7H6H7120.0°120.0°
H8C8H9H10120.0°120.0°
H12C13C12H290.2°0.1°
H13C20H14H15120.0°120.0°
H18C19H19H20120.0°120.0°
H21C18H22H23120.0°120.0°
H24C1CH2659.6°60.0°
H24C1CH2760.4°60.0°
H24C1CH28179.6°180.0°
H25C1CH2659.7°180.0°
H25C1CH27179.6°60.0°
H25C1CH2860.4°60.0°
H26CH27H28120.0°120.0°
H29C12C11H301.2°0.1°

222926

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