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NQT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C3sing1.51Å1.48Å
C3Ndoub1.31Å1.32ÅAromatic
C3C2sing1.40Å1.42ÅAromatic
NN1sing1.40Å1.35ÅAromatic
N6C21doub1.33Å1.34ÅAromatic
N6C5sing1.32Å1.35ÅAromatic
C2C1doub1.35Å1.36ÅAromatic
N1C5sing1.40Å1.43Å
N1C1sing1.36Å1.41ÅAromatic
C21C20sing1.38Å1.37ÅAromatic
C5N2doub1.32Å1.31ÅAromatic
C1Csing1.51Å1.46Å
C20CLsing1.74Å1.73Å
C20C6doub1.40Å1.43ÅAromatic
N2C6sing1.33Å1.34ÅAromatic
C6N3sing1.39Å1.30Å
N3C7sing1.40Å1.35Å
C7C19doub1.39Å1.41ÅAromatic
C7C8sing1.39Å1.36ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
C8C9doub1.39Å1.37ÅAromatic
C13C12sing1.53Å1.53Å
C18C17doub1.39Å1.36ÅAromatic
C14C12sing1.53Å1.54Å
C11C12sing1.53Å1.54Å
C11C10sing1.53Å1.54Å
C9C17sing1.40Å1.40ÅAromatic
C9N4sing1.39Å1.38Å
C12Osing1.43Å1.37Å
C17N5sing1.39Å1.41Å
N4C10sing1.47Å1.45Å
N4C15sing1.35Å1.40Å
N5C15sing1.35Å1.39Å
N5C16sing1.46Å1.44Å
C15O1doub1.22Å1.18Å
C11H1sing1.09Å1.10Å
C11H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C14H4sing1.09Å1.10Å
C14H5sing1.09Å1.10Å
C21H6sing1.08Å1.08Å
C4H7sing1.09Å1.10Å
C4H8sing1.09Å1.10Å
C4H9sing1.09Å1.10Å
C2H10sing1.08Å1.08Å
CH11sing1.09Å1.10Å
CH12sing1.09Å1.10Å
CH13sing1.09Å1.10Å
N3H14sing0.97Å1.00Å
C19H15sing1.08Å1.08Å
C18H16sing1.08Å1.08Å
C8H17sing1.08Å1.08Å
C16H18sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C10H21sing1.09Å1.10Å
C10H22sing1.09Å1.10Å
OH23sing0.97Å0.95Å
C13H24sing1.09Å1.10Å
C13H25sing1.09Å1.10Å
C13H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C3N123.1°125.9°
C4C3C2126.1°125.8°
C3C4H7109.5°109.5°
C3C4H8109.5°109.5°
C3C4H9109.5°109.4°
NC3C2110.7°108.4°
C3NN1106.3°108.3°
C3C2C1106.4°108.0°
C3C2H10126.8°126.0°
NN1C5120.5°126.1°
NN1C1111.1°107.8°
C21N6C5115.4°121.0°
N6C21C20124.3°119.2°
N6C21H6117.9°120.4°
N6C5N1117.2°119.1°
N6C5N2126.3°121.7°
C2C1N1105.5°107.6°
C2C1C128.1°126.2°
C1C2H10126.8°126.0°
C5N1C1128.4°126.1°
N1C5N2116.5°119.1°
N1C1C126.3°126.2°
C21C20CL118.6°120.7°
C21C20C6115.2°118.4°
C20C21H6117.8°120.4°
C5N2C6118.2°120.6°
C1CH11109.5°109.5°
C1CH12109.5°109.5°
C1CH13109.5°109.5°
CLC20C6126.2°120.8°
C20C6N2120.6°119.0°
C20C6N3129.5°120.5°
N2C6N3109.0°120.5°
C6N3C7143.3°120.0°
C6N3H14108.3°120.0°
N3C7C19104.4°120.0°
N3C7C8137.0°119.9°
C7N3H14108.4°120.0°
C19C7C8117.1°120.1°
C7C19C18124.5°120.2°
C7C19H15117.8°119.9°
C7C8C9119.6°119.8°
C7C8H17120.2°120.1°
C19C18C17116.7°119.9°
C18C19H15117.8°119.9°
C19C18H16121.6°120.0°
C8C9C17122.3°119.9°
C8C9N4130.5°133.3°
C9C8H17120.2°120.1°
C13C12C14109.4°109.4°
C13C12C11107.8°109.5°
C13C12O109.9°109.4°
C12C13H24109.5°109.5°
C12C13H25109.5°109.5°
C12C13H26109.5°109.4°
C18C17C9119.8°120.0°
C18C17N5132.4°133.2°
C17C18H16121.7°120.1°
C14C12C11112.6°109.5°
C14C12O110.3°109.5°
C12C14H3109.5°109.4°
C12C14H4109.5°109.5°
C12C14H5109.4°109.5°
C12C11C10114.7°109.5°
C11C12O106.8°109.5°
C12C11H1108.2°109.5°
C12C11H2108.1°109.4°
C11C10N4107.5°109.5°
C10C11H1108.1°109.5°
C10C11H2108.2°109.5°
C11C10H21110.0°109.4°
C11C10H22110.0°109.5°
C17C9N4107.2°106.8°
C9C17N5107.8°106.8°
C9N4C10127.7°125.8°
C9N4C15109.8°108.4°
C12OH23109.5°114.0°
C17N5C15108.5°108.3°
C17N5C16126.4°125.9°
C10N4C15122.4°125.8°
N4C10H21109.9°109.5°
N4C10H22109.9°109.5°
N4C15N5106.7°109.7°
N4C15O1126.6°125.2°
C15N5C16125.1°125.8°
N5C15O1126.7°125.2°
N5C16H18109.5°109.5°
N5C16H19109.5°109.5°
N5C16H20109.5°109.5°
H1C11H2109.5°109.5°
H3C14H4109.5°109.4°
H3C14H5109.5°109.5°
H4C14H5109.5°109.5°
H7C4H8109.5°109.5°
H7C4H9109.4°109.5°
H8C4H9109.5°109.4°
H11CH12109.5°109.5°
H11CH13109.5°109.5°
H12CH13109.5°109.4°
H18C16H19109.5°109.5°
H18C16H20109.4°109.5°
H19C16H20109.5°109.5°
H21C10H22109.5°109.5°
H24C13H25109.4°109.5°
H24C13H26109.5°109.5°
H25C13H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C3NC2179.6°180.0°
C4C3NN1179.5°180.0°
C4C3C2C1179.4°179.7°
C3C4H7H8120.0°120.1°
C3C4H7H9120.0°120.0°
C3C4H8H9120.0°119.9°
C4C3C2H100.6°0.1°
NC3C2C10.2°0.2°
C3NN1C5178.3°180.0°
C3NN1C10.1°0.2°
NC3C4H70.0°89.9°
NC3C4H8120.0°150.0°
NC3C4H9120.0°30.1°
NC3C2H10179.8°179.9°
C2C3NN10.2°0.0°
C3C2C1H10180.0°179.8°
C3C2C1N10.2°0.4°
C3C2C1C178.9°179.8°
C2C3C4H7179.6°90.0°
C2C3C4H859.6°30.1°
C2C3C4H960.4°150.0°
NN1C5N612.3°179.7°
NN1C1C20.1°0.4°
NN1C5C1178.0°179.8°
NN1C5N2170.0°0.3°
NN1C1C179.0°179.8°
C21N6C5N1175.5°180.0°
N6C21C20H6180.0°179.9°
C21N6C5N21.9°0.1°
N6C21C20CL178.2°179.9°
N6C21C20C61.2°0.2°
N6C5N1N2177.6°180.0°
N6C5N1C1165.7°0.0°
C5N6C21C200.9°0.1°
N6C5N2C60.4°0.2°
C5N6C21H6179.1°180.0°
C2C1N1C5178.3°179.9°
C2C1N1C179.1°179.9°
C2C1CH1189.4°89.9°
C2C1CH12150.6°30.1°
C2C1CH1330.6°150.1°
C5N1C1C0.8°0.0°
N1C5N2C6177.0°179.7°
C1N1C5N211.9°180.0°
N1C1C2H10179.8°179.8°
N1C1CH1189.5°90.0°
N1C1CH1230.5°150.0°
N1C1CH13150.5°30.0°
C21C20CLC6179.4°179.7°
C21C20C6N22.7°0.5°
C21C20C6N3164.8°179.8°
C5N2C6C202.0°0.5°
C5N2C6N3167.8°179.8°
CC1C2H101.1°0.1°
C1CH11H12120.0°120.0°
C1CH11H13120.0°120.1°
C1CH12H13120.0°120.0°
CLC20C6N2176.7°179.8°
CLC20C6N315.8°0.1°
CLC20C21H61.7°0.0°
C20C6N2N3169.9°179.7°
C20C6N3C7149.8°174.4°
C6C20C21H6178.8°179.7°
C20C6N3H1430.2°5.6°
N2C6N3C741.5°5.9°
N2C6N3H14138.5°174.1°
C6N3C7H14180.0°179.9°
C6N3C7C1996.7°33.1°
C6N3C7C868.0°146.9°
N3C7C19C8168.4°180.0°
N3C7C19C18168.3°180.0°
N3C7C8C9165.2°180.0°
N3C7C19H1511.7°0.0°
N3C7C8H1714.7°0.1°
C7C19C18H15180.0°180.0°
C19C7C8C91.8°0.0°
C7C19C18C171.8°0.0°
C19C7N3H1483.3°147.0°
C7C19C18H16178.2°180.0°
C19C7C8H17178.1°180.0°
C8C7C19C180.1°0.0°
C7C8C9H17180.0°179.9°
C7C8C9C172.0°0.0°
C7C8C9N4177.0°179.9°
C8C7N3H14112.0°33.0°
C8C7C19H15180.0°180.0°
C19C18C17H16180.0°180.0°
C19C18C17C91.6°0.0°
C19C18C17N5176.9°179.9°
C8C9C17C180.2°0.0°
C8C9C17N4179.2°179.9°
C8C9C17N5179.0°179.9°
C8C9N4C106.2°0.1°
C8C9N4C15178.7°180.0°
C13C12C14C11119.9°120.0°
C13C12C14O121.0°119.9°
C13C12C11O118.0°120.0°
C13C12C11C10171.2°175.0°
C13C12C11H168.1°65.0°
C13C12C11H250.4°55.0°
C13C12C14H3180.0°180.0°
C13C12C14H460.0°60.0°
C13C12C14H560.0°60.0°
C13C12OH23180.0°60.1°
C12C13H24H25120.0°120.0°
C12C13H24H26120.0°120.0°
C12C13H25H26120.0°120.0°
C18C17C9N5178.8°179.9°
C18C17C9N4179.0°179.9°
C18C17N5C15178.5°180.0°
C18C17N5C162.2°0.1°
C17C18C19H15178.2°180.0°
C14C12C11O121.1°120.0°
C14C12C11C1068.0°55.0°
C14C12C11H152.8°175.0°
C14C12C11H2171.3°64.9°
C12C14H3H4120.0°120.0°
C12C14H3H5120.0°120.0°
C12C14H4H5119.9°120.0°
C14C12OH2359.3°180.0°
C14C12C13H24180.0°60.0°
C14C12C13H2560.0°60.0°
C14C12C13H2660.0°180.0°
C12C11C10H1120.8°120.1°
C12C11C10H2120.7°119.9°
C12C11C10N4177.8°180.0°
C12C11H1H2117.6°120.0°
C11C12C14H360.1°60.0°
C11C12C14H4179.9°180.0°
C11C12C14H559.9°60.0°
C12C11C10H2158.1°60.0°
C12C11C10H2262.5°60.0°
C11C12OH2363.3°59.9°
C11C12C13H2457.2°60.0°
C11C12C13H2562.8°180.0°
C11C12C13H26177.2°60.0°
C11C10N4C986.3°90.0°
C10C11C12O53.2°65.1°
C11C10N4H21119.7°120.0°
C11C10N4H22119.7°120.0°
C11C10N4C1588.2°89.9°
C10C11H1H2117.6°120.0°
C11C10H21H22120.9°120.0°
C17C9N4C10174.7°180.0°
C17C9N4C150.4°0.1°
C9C17N5C150.1°0.1°
C9C17N5C16179.2°179.8°
C9C17C18H16178.4°180.0°
C17C9C8H17177.9°179.9°
N4C9C17N50.2°0.0°
C9N4C10C15174.5°179.9°
C9N4C15N50.5°0.2°
C9N4C15O1179.4°180.0°
N4C9C8H173.0°0.0°
C9N4C10H21154.0°29.9°
C9N4C10H2233.4°150.0°
OC12C11H1173.9°55.0°
OC12C11H267.6°175.0°
OC12C14H359.0°60.0°
OC12C14H461.0°59.9°
OC12C14H5179.0°180.0°
OC12C13H2458.8°180.0°
OC12C13H25178.8°60.0°
OC12C13H2661.2°60.0°
C17N5C15N40.3°0.2°
C17N5C15C16179.3°179.9°
C17N5C15O1179.3°180.0°
N5C17C18H163.1°0.1°
C17N5C16H18180.0°90.0°
C17N5C16H1960.0°150.0°
C17N5C16H2060.0°30.0°
C10N4C15N5174.9°179.9°
C10N4C15O14.0°0.1°
N4C10C11H161.4°59.9°
N4C10C11H257.0°60.1°
N4C10H21H22120.9°120.0°
N4C15N5O1179.0°179.8°
N4C15N5C16179.0°179.8°
C15N4C10H2131.5°150.2°
C15N4C10H22152.1°30.1°
C15N5C16H180.8°89.9°
C15N5C16H19120.8°30.0°
C15N5C16H20119.2°150.0°
C16N5C15O10.0°0.0°
N5C16H18H19120.0°120.0°
N5C16H18H20120.0°120.0°
N5C16H19H20120.0°120.0°
H1C11C10H21178.9°60.0°
H1C11C10H2258.2°180.0°
H2C11C10H2162.6°180.0°
H2C11C10H22176.7°59.9°
H3C14H4H5120.0°120.0°
H7C4H8H9120.0°119.9°
H11CH12H13120.0°120.0°
H15C19C18H161.8°0.0°
H18C16H19H20120.0°120.0°
H24C13H25H26120.0°120.0°

223790

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