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NQL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.51Å1.52Å
C1O1doub1.21Å1.26Å
C1N1sing1.35Å1.34Å
C3N1sing1.47Å1.47Å
C3C4sing1.53Å1.53Å
C6C5sing1.53Å1.52Å
C6N2sing1.47Å1.48Å
C5C4sing1.53Å1.54Å
C19N2sing1.47Å1.47Å
C19C20sing1.53Å1.52Å
C4C20sing1.53Å1.53Å
N2C7sing1.35Å1.36Å
C15C16sing1.53Å1.51Å
C15C8sing1.53Å1.55Å
C16N4sing1.47Å1.47Å
C7O2doub1.21Å1.23Å
C7C8sing1.51Å1.54Å
N4C17sing1.47Å1.46Å
C8N3sing1.46Å1.48Å
C8C18sing1.53Å1.55Å
N3C9sing1.40Å1.40Å
C18C17sing1.53Å1.50Å
C9C14doub1.39Å1.40ÅAromatic
C9C10sing1.39Å1.41ÅAromatic
C14C13sing1.38Å1.39ÅAromatic
C10C11doub1.38Å1.38ÅAromatic
C13C12doub1.38Å1.38ÅAromatic
C11C12sing1.38Å1.37ÅAromatic
C6H1sing1.09Å1.10Å
C6H2sing1.09Å1.10Å
C10H3sing1.08Å1.08Å
C12H4sing1.08Å1.08Å
C18H5sing1.09Å1.10Å
C18H6sing1.09Å1.10Å
C19H7sing1.09Å1.10Å
C19H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
C20H10sing1.09Å1.10Å
C14H11sing1.08Å1.08Å
C15H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C16H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C5H18sing1.09Å1.10Å
C5H19sing1.09Å1.10Å
C4H20sing1.09Å1.10Å
C3H21sing1.09Å1.10Å
C3H22sing1.09Å1.10Å
C2H23sing1.09Å1.10Å
C2H24sing1.09Å1.10Å
C2CL1sing1.80Å1.07Å
N1H26sing0.97Å1.00Å
N3H27sing0.97Å1.00Å
C11H28sing1.08Å1.08Å
C13H29sing1.08Å1.08Å
N4H30sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1O1116.8°120.0°
C2C1N1120.1°120.0°
C1C2H23109.5°109.5°
C1C2H24109.5°109.5°
C1C2CL1109.2°109.5°
O1C1N1123.1°120.0°
C1N1C3124.5°120.0°
C1N1H26117.7°120.0°
N1C3C4111.5°109.5°
N1C3H21109.0°109.5°
N1C3H22108.9°109.5°
C3N1H26117.7°120.0°
C3C4C5114.2°109.4°
C3C4C20112.4°109.4°
C3C4H20105.0°109.4°
C4C3H21109.0°109.4°
C4C3H22109.0°109.5°
C5C6N2113.4°108.8°
C6C5C4116.3°109.3°
C5C6H1108.5°109.6°
C5C6H2108.5°109.6°
C6C5H18107.8°109.5°
C6C5H19107.7°109.5°
C6N2C19109.0°118.8°
C6N2C7124.1°120.6°
N2C6H1108.5°109.6°
N2C6H2108.5°109.6°
C5C4C20114.2°109.5°
C4C5H18107.7°109.5°
C4C5H19107.8°109.5°
C5C4H20104.8°109.5°
N2C19C20109.9°108.8°
C19N2C7126.8°120.6°
N2C19H7109.4°109.6°
N2C19H8109.4°109.6°
C19C20C4111.9°109.3°
C20C19H7109.4°109.6°
C20C19H8109.4°109.5°
C19C20H9108.8°109.5°
C19C20H10108.8°109.5°
C4C20H9108.8°109.5°
C4C20H10108.9°109.6°
C20C4H20105.0°109.5°
N2C7O2118.6°120.0°
N2C7C8123.7°120.0°
C16C15C8111.8°109.2°
C15C16N4112.3°109.5°
C16C15H12108.9°109.5°
C16C15H13108.9°109.5°
C15C16H14108.8°109.4°
C15C16H15108.8°109.5°
C15C8C7105.6°109.5°
C15C8N3111.6°109.6°
C15C8C18110.3°109.2°
C8C15H12108.9°109.5°
C8C15H13108.9°109.6°
C16N4C17110.2°111.2°
N4C16H14108.8°109.4°
N4C16H15108.8°109.5°
C16N4H30109.3°111.0°
O2C7C8117.6°120.0°
C7C8N3114.1°109.6°
C7C8C18105.5°109.5°
N4C17C18107.6°109.5°
N4C17H16110.0°109.5°
N4C17H17109.9°109.4°
C17N4H30109.3°111.0°
N3C8C18109.5°109.5°
C8N3C9124.7°120.0°
C8N3H27105.6°120.0°
C8C18C17112.2°109.3°
C8C18H5108.8°109.5°
C8C18H6108.8°109.6°
N3C9C14121.0°120.0°
N3C9C10120.3°120.1°
C9N3H27105.5°120.0°
C17C18H5108.8°109.5°
C17C18H6108.8°109.5°
C18C17H16109.9°109.5°
C18C17H17109.9°109.5°
C14C9C10118.7°119.9°
C9C14C13120.2°119.9°
C9C14H11119.9°120.0°
C9C10C11119.7°119.9°
C9C10H3120.2°120.0°
C14C13C12120.4°120.1°
C13C14H11119.9°120.1°
C14C13H29119.8°119.9°
C10C11C12121.1°120.1°
C11C10H3120.2°120.0°
C10C11H28119.4°120.0°
C13C12C11120.0°120.2°
C13C12H4120.0°119.9°
C12C13H29119.8°120.0°
C11C12H4120.0°119.9°
C12C11H28119.5°120.0°
H1C6H2109.5°109.7°
H5C18H6109.5°109.5°
H7C19H8109.5°109.7°
H9C20H10109.5°109.5°
H12C15H13109.4°109.5°
H14C16H15109.4°109.5°
H16C17H17109.5°109.5°
H18C5H19109.5°109.6°
H21C3H22109.4°109.5°
H23C2H24109.5°109.4°
H23C2CL1109.6°109.5°
H24C2CL1109.6°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1O1N1179.9°179.7°
C2C1N1C32.8°179.8°
C1C2H23H24120.1°120.0°
C1C2H23CL1119.7°120.0°
C1C2H24CL1119.7°120.0°
C2C1N1H26177.3°0.3°
O1C1N1C3177.4°0.0°
O1C1C2H23120.7°120.0°
O1C1C2H240.6°120.0°
O1C1C2CL1119.4°0.0°
O1C1N1H262.6°180.0°
C1N1C3H26180.0°180.0°
C1N1C3C4135.7°180.0°
C1N1C3H2115.4°60.1°
C1N1C3H22104.0°60.0°
N1C1C2H2359.5°60.3°
N1C1C2H24179.5°59.7°
N1C1C2CL160.5°179.7°
N1C3C4H21120.3°120.0°
N1C3C4H22120.3°120.0°
N1C3C4C5152.3°175.0°
N1C3C4C2075.5°64.9°
N1C3C4H2038.1°55.0°
N1C3H21H22119.1°120.0°
C3C4C5C6101.6°178.6°
C3C4C5C20131.3°120.0°
C3C4C5H20114.3°119.9°
C3C4C20C1992.6°178.6°
C3C4C20H20113.5°119.9°
C3C4C20H9147.1°58.7°
C3C4C20H1027.8°61.4°
C3C4C5H1819.4°61.4°
C3C4C5H19137.5°58.7°
C4C3H21H22119.1°120.0°
C4C3N1H2644.3°0.0°
C5C6N2H1120.6°119.8°
C5C6N2H2120.6°119.8°
C6C5C4H18121.0°120.0°
C6C5C4H19121.0°119.9°
C5C6N2C1956.9°53.6°
C6C5C4C2029.8°61.4°
C5C6N2C7122.7°126.4°
C5C6H1H2118.2°120.4°
C6C5H18H19116.9°120.1°
C6C5C4H20144.2°58.7°
N2C6C5C438.4°54.6°
C6N2C19C7179.6°180.0°
C6N2C19C2068.0°53.6°
C6N2C7O214.0°3.4°
C6N2C7C8161.7°176.5°
N2C6H1H2118.2°120.3°
C6N2C19H7171.9°173.4°
C6N2C19H852.1°66.2°
N2C6C5H18159.4°65.3°
N2C6C5H1982.6°174.5°
C5C4C20C1939.6°61.4°
C5C4C20H20114.3°120.1°
C4C5C6H1159.0°65.1°
C4C5C6H282.2°174.4°
C5C4C20H980.7°178.7°
C5C4C20H10159.9°58.5°
C4C5H18H19116.9°120.1°
C5C4C3H2132.0°65.0°
C5C4C3H2287.4°55.0°
N2C19C20H7120.1°119.8°
N2C19C20H8120.0°119.8°
N2C19C20C459.4°54.6°
C19N2C7O2165.6°176.5°
C19N2C7C818.8°3.5°
C19N2C6H1177.5°66.2°
C19N2C6H263.6°173.4°
N2C19H7H8119.8°120.4°
N2C19C20H960.9°174.6°
N2C19C20H10179.8°65.3°
C19C20C4H9120.4°119.9°
C19C20C4H10120.3°119.9°
C20C19N2C7111.6°126.4°
C20C19H7H8119.8°120.3°
C19C20H9H10118.9°120.0°
C19C20C4H20153.9°58.7°
C4C20C19H7179.5°174.4°
C4C20C19H860.6°65.2°
C4C20H9H10118.9°120.2°
C20C4C5H18150.8°58.6°
C20C4C5H1991.2°178.7°
C20C4C3H21164.2°55.0°
C20C4C3H2244.8°175.1°
N2C7C8C1565.3°73.5°
N2C7O2C8175.9°180.0°
N2C7C8N357.6°46.7°
N2C7C8C18177.8°166.8°
C7N2C6H12.1°113.8°
C7N2C6H2116.7°6.6°
C7N2C19H78.4°6.7°
C7N2C19H8128.3°113.8°
C16C15C8H12120.4°119.9°
C16C15C8H13120.4°119.9°
C15C16N4H14120.4°119.9°
C15C16N4H15120.4°120.0°
C16C15C8C7158.5°177.5°
C15C16N4C1762.7°61.8°
C16C15C8N377.0°62.2°
C16C15C8C1845.0°57.7°
C16C15H12H13118.9°120.1°
C15C16H14H15118.7°120.0°
C15C16N4H3057.5°62.4°
C8C15C16N451.5°59.2°
C15C8C7O2110.3°106.5°
C15C8C7N3122.9°120.2°
C15C8C7C18116.9°119.7°
C15C8N3C18122.5°119.7°
C15C8N3C9157.0°179.6°
C15C8C18C1750.6°57.6°
C15C8C18H5171.0°62.2°
C15C8C18H669.8°177.7°
C8C15H12H13118.9°120.2°
C8C15C16H14171.9°179.2°
C8C15C16H1568.9°60.8°
C15C8N3H2781.0°0.5°
C16N4C17H30120.1°124.1°
C16N4C17C1865.7°61.8°
N4C16C15H12171.9°179.1°
N4C16C15H1368.8°60.8°
N4C16H14H15118.7°120.0°
C16N4C17H16174.6°58.2°
C16N4C17H1753.9°178.2°
O2C7C8N3126.7°133.3°
O2C7C8C186.5°13.2°
C7C8N3C18117.9°120.1°
C7C8N3C937.4°60.2°
C7C8C18C17164.3°177.5°
C7C8C18H575.4°57.7°
C7C8C18H643.8°62.4°
C7C8C15H1281.2°62.6°
C7C8C15H1338.1°57.6°
C7C8N3H27159.4°119.7°
N4C17C18C860.6°59.1°
N4C17C18H16119.7°120.0°
N4C17C18H17119.7°120.0°
N4C17C18H5179.0°60.7°
N4C17C18H659.9°179.2°
C17N4C16H14176.9°178.3°
C17N4C16H1557.8°58.3°
N4C17H16H17120.9°119.9°
C8N3C9H27122.1°180.0°
N3C8C18C1772.6°62.3°
C8N3C9C14162.7°172.9°
C8N3C9C1015.8°7.1°
N3C8C18H547.8°177.8°
N3C8C18H6167.0°57.7°
N3C8C15H1243.3°57.7°
N3C8C15H13162.6°177.8°
C18C8N3C980.5°59.8°
C8C18C17H5120.4°119.9°
C8C18C17H6120.4°120.1°
C8C18H5H6118.8°120.2°
C18C8C15H12165.3°177.6°
C18C8C15H1375.4°62.3°
C8C18C17H16179.7°60.9°
C8C18C17H1759.1°179.1°
C18C8N3H2741.5°120.2°
N3C9C14C10178.5°180.0°
N3C9C14C13179.6°179.4°
N3C9C10C11179.7°180.0°
N3C9C10H30.3°0.3°
N3C9C14H110.4°0.3°
C17C18H5H6118.8°120.1°
C18C17H16H17120.9°120.0°
C18C17N4H3054.4°62.4°
C9C14C13H11180.0°179.1°
C14C9C10C111.2°0.0°
C9C14C13C121.4°0.9°
C14C9C10H3178.8°179.7°
C14C9N3H2775.2°7.1°
C9C14C13H29178.6°179.2°
C10C9C14C131.0°0.6°
C9C10C11H3180.0°179.7°
C9C10C11C121.7°0.3°
C10C9C14H11178.9°179.7°
C10C9N3H27106.3°172.9°
C9C10C11H28178.3°179.7°
C14C13C12H29180.0°179.9°
C14C13C12C111.8°0.6°
C14C13C12H4178.2°179.4°
C10C11C12C132.0°0.0°
C10C11C12H28180.0°180.0°
C10C11C12H4178.0°180.0°
C13C12C11H4180.0°179.9°
C12C13C14H11178.6°180.0°
C13C12C11H28178.0°180.0°
C12C11C10H3178.3°180.0°
C11C12C13H29178.2°179.5°
H1C6C5H1880.0°174.9°
H1C6C5H1938.0°54.8°
H2C6C5H1838.8°54.4°
H2C6C5H19156.8°65.7°
H3C10C11H281.7°0.0°
H4C12C11H282.0°0.0°
H4C12C13H291.8°0.5°
H5C18C17H1659.3°179.3°
H5C18C17H1761.3°59.3°
H6C18C17H1659.9°59.2°
H6C18C17H17179.5°60.8°
H7C19C20H959.1°65.6°
H7C19C20H1060.1°54.5°
H8C19C20H9179.0°54.7°
H8C19C20H1059.7°174.8°
H9C20C4H2033.5°61.2°
H10C20C4H2085.8°178.6°
H11C14C13H291.4°0.1°
H12C15C16H1467.7°60.9°
H12C15C16H1551.5°59.1°
H13C15C16H1451.6°59.2°
H13C15C16H15170.7°179.2°
H14C16N4H3062.9°57.6°
H15C16N4H30177.9°177.6°
H16C17N4H3065.3°177.6°
H17C17N4H30174.0°57.7°
H18C5C4H2094.8°178.7°
H19C5C4H2023.2°61.2°
H20C4C3H2182.3°175.0°
H20C4C3H22158.4°65.0°
H21C3N1H26164.6°120.0°
H22C3N1H2676.0°120.0°
H23C2H24CL1120.2°120.0°

226262

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