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W53

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCsing1.39Å1.33Å
CN1doub1.32Å1.36ÅAromatic
N1C1sing1.34Å1.37ÅAromatic
C1C2doub1.42Å1.38ÅAromatic
C3C2sing1.41Å1.41ÅAromatic
C4C3doub1.36Å1.36ÅAromatic
CC4sing1.40Å1.42ÅAromatic
C2C5sing1.40Å1.41ÅAromatic
C5C6doub1.37Å1.35ÅAromatic
C6C7sing1.39Å1.39ÅAromatic
N2C7doub1.31Å1.32ÅAromatic
C1N2sing1.34Å1.34ÅAromatic
C7C8sing1.51Å1.50Å
C8C9sing1.53Å1.52Å
C9C10sing1.51Å1.49Å
C10Odoub1.21Å1.23Å
N3C10sing1.35Å1.34Å
C11N3sing1.46Å1.46Å
C12C11sing1.53Å1.53Å
C13C12sing1.53Å1.52Å
N4C13sing1.47Å1.45Å
C14C9sing1.53Å1.53Å
C15C14sing1.51Å1.51Å
C15N5doub1.31Å1.32ÅAromatic
N5C16sing1.34Å1.34ÅAromatic
C16C17doub1.42Å1.39ÅAromatic
C18C17sing1.41Å1.42ÅAromatic
C19C18doub1.36Å1.36ÅAromatic
C20C19sing1.40Å1.41ÅAromatic
N6C20doub1.32Å1.36ÅAromatic
C16N6sing1.34Å1.37ÅAromatic
N7C20sing1.39Å1.33Å
C17C21sing1.41Å1.41ÅAromatic
C21C22doub1.37Å1.36ÅAromatic
C22C15sing1.39Å1.40ÅAromatic
C8H8sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
N7H24sing0.97Å1.00Å
N7H25sing0.97Å1.00Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
N3H10sing0.97Å1.00Å
C4H4sing1.08Å1.08Å
NH1sing0.97Å1.00Å
NHsing0.97Å1.00Å
C14H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C18H21sing1.08Å1.08Å
C19H22sing1.08Å1.08Å
C21H26sing1.08Å1.08Å
C22H27sing1.08Å1.08Å
C3H3sing1.08Å1.08Å
C9H9sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
N4H17sing1.01Å1.00Å
N4H18sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NCN1117.6°119.2°
NCC4123.9°119.2°
CNH1109.5°120.0°
CNH109.5°120.0°
CN1C1123.1°121.3°
N1CC4118.5°121.7°
N1C1C2118.9°119.7°
N1C1N2116.8°120.7°
C1C2C3118.9°119.4°
C1C2C5116.1°119.3°
C2C1N2124.3°119.5°
C2C3C4121.4°118.3°
C3C2C5124.9°121.4°
C2C3H3119.3°120.9°
C3C4C119.2°119.7°
C3C4H4120.4°120.1°
C4C3H3119.3°120.8°
CC4H4120.4°120.1°
C2C5C6120.2°118.2°
C2C5H5119.9°120.9°
C5C6C7118.8°119.8°
C6C5H5119.9°120.9°
C5C6H6120.6°120.1°
C6C7N2123.0°121.8°
C6C7C8120.1°119.1°
C7C6H6120.6°120.1°
C7N2C1117.5°121.4°
N2C7C8116.1°119.1°
C7C8C9110.9°109.5°
C7C8H8109.1°109.5°
C7C8H7109.1°109.4°
C8C9C10107.8°109.5°
C8C9C14113.1°109.5°
C9C8H8109.1°109.5°
C9C8H7109.1°109.5°
C8C9H9108.2°109.5°
C9C10O121.7°120.0°
C9C10N3114.5°120.0°
C10C9C14111.0°109.5°
C10C9H9108.6°109.4°
OC10N3123.5°120.0°
C10N3C11122.1°120.0°
C10N3H10119.0°120.0°
N3C11C12112.6°109.5°
C11N3H10119.0°120.0°
N3C11H12108.7°109.5°
N3C11H11108.7°109.5°
C11C12C13116.0°109.4°
C12C11H12108.7°109.5°
C12C11H11108.7°109.4°
C11C12H14107.8°109.5°
C11C12H13107.8°109.4°
C12C13N4112.7°109.5°
C13C12H14107.8°109.5°
C13C12H13107.8°109.5°
C12C13H15108.7°109.5°
C12C13H16108.7°109.5°
N4C13H15108.7°109.5°
N4C13H16108.6°109.4°
C13N4H17109.5°111.0°
C13N4H18109.5°111.1°
C9C14C15114.7°109.4°
C9C14H19108.1°109.4°
C9C14H20108.1°109.5°
C14C9H9108.1°109.5°
C14C15N5116.3°119.1°
C14C15C22120.6°119.1°
C15C14H19108.1°109.5°
C15C14H20108.1°109.5°
C15N5C16117.2°121.4°
N5C15C22123.1°121.7°
N5C16C17124.9°119.6°
N5C16N6115.6°120.7°
C16C17C18118.1°119.4°
C17C16N6119.5°119.7°
C16C17C21115.9°119.2°
C17C18C19121.1°118.2°
C18C17C21126.0°121.4°
C17C18H21119.4°120.9°
C18C19C20120.1°119.8°
C19C18H21119.4°120.9°
C18C19H22119.9°120.1°
C19C20N6118.3°121.6°
C19C20N7123.8°119.2°
C20C19H22120.0°120.1°
C20N6C16122.8°121.3°
N6C20N7117.8°119.2°
C20N7H24109.5°120.0°
C20N7H25109.5°120.0°
C17C21C22119.8°118.2°
C17C21H26120.1°120.9°
C21C22C15119.0°119.8°
C22C21H26120.1°120.9°
C21C22H27120.5°120.1°
C15C22H27120.5°120.0°
H8C8H7109.5°109.5°
H24N7H25109.4°120.0°
H1NH109.5°119.9°
H19C14H20109.5°109.5°
H12C11H11109.5°109.5°
H14C12H13109.5°109.5°
H15C13H16109.5°109.5°
H17N4H18109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NCN1C4180.0°180.0°
NCN1C1179.2°180.0°
NCC4C3179.5°180.0°
NCC4H40.5°0.0°
CNH1H120.1°180.0°
CN1C1C21.1°0.0°
N1CC4C30.5°0.0°
CN1C1N2179.4°179.9°
N1CC4H4179.5°180.0°
N1CNH10.0°0.0°
N1CNH120.0°180.0°
N1C1C2N2179.5°179.9°
N1C1C2C30.9°0.0°
C1N1CC40.9°0.0°
N1C1C2C5177.5°179.9°
N1C1N2C7179.0°179.7°
C1C2C3C5178.3°180.0°
C1C2C3C40.6°0.0°
C1C2C5C61.2°0.1°
C2C1N2C70.5°0.4°
C1C2C5H5178.8°179.7°
C1C2C3H3179.4°180.0°
C2C3C4H3180.0°179.9°
C2C3C4C0.4°0.0°
C3C2C5C6179.5°180.0°
C3C2C1N2179.6°180.0°
C3C2C5H50.5°0.2°
C2C3C4H4179.6°180.0°
C3C4CH4180.0°180.0°
C4C3C2C5177.6°179.9°
C4CNH1180.0°180.0°
C4CNH60.0°0.0°
CC4C3H3179.6°180.0°
C2C5C6H5180.0°179.8°
C2C5C6C71.0°0.2°
C5C2C1N22.0°0.0°
C2C5C6H6179.0°179.8°
C5C2C3H32.4°0.0°
C5C6C7H6180.0°180.0°
C5C6C7N22.7°0.6°
C5C6C7C8166.3°180.0°
C6C7N2C8169.5°179.4°
C6C7N2C12.0°0.7°
C6C7C8C955.3°125.0°
C6C7C8H8175.5°115.0°
C6C7C8H764.9°5.0°
C7C6C5H5179.0°180.0°
N2C7C8C9114.5°54.4°
N2C7C8H85.7°65.6°
N2C7C8H7125.3°174.4°
N2C7C6H6177.3°179.4°
C1N2C7C8167.5°180.0°
C7C8C9H8120.2°120.0°
C7C8C9H7120.2°120.0°
C7C8C9C10149.3°65.0°
C7C8C9C1487.6°175.0°
C7C8H8H7119.4°120.0°
C8C7C6H613.7°0.1°
C7C8C9H932.1°55.0°
C8C9C10C14124.4°120.0°
C8C9C10H9117.0°120.0°
C8C9C10O93.9°35.7°
C8C9C10N391.2°144.3°
C8C9C14H9119.7°120.0°
C8C9C14C1559.7°64.7°
C9C8H8H7119.4°120.0°
C8C9C14H1961.1°175.4°
C8C9C14H20179.5°55.4°
C9C10ON3174.4°180.0°
C9C10N3C1148.1°175.0°
C10C9C14H9118.9°120.0°
C10C9C14C15179.0°175.3°
C10C9C8H890.5°175.0°
C10C9C8H729.1°55.0°
C9C10N3H10131.9°5.0°
C10C9C14H1960.3°55.4°
C10C9C14H2058.2°64.6°
OC10N3C11126.7°5.0°
OC10C9C1430.5°84.2°
OC10N3H1053.3°175.0°
OC10C9H9149.2°155.7°
C10N3C11H10180.0°180.0°
C10N3C11C12131.2°175.6°
N3C10C9C14144.4°95.8°
N3C10C9H925.8°24.3°
C10N3C11H1210.7°55.6°
C10N3C11H11108.4°64.4°
N3C11C12H12120.5°120.0°
N3C11C12H11120.5°120.0°
N3C11C12C13127.0°175.6°
N3C11H12H11118.6°120.0°
N3C11C12H14112.1°55.6°
N3C11C12H136.1°64.4°
C11C12C13H14120.9°120.0°
C11C12C13H13120.9°120.0°
C11C12C13N435.8°175.4°
C12C11N3H1048.9°4.3°
C12C11H12H11118.5°120.0°
C11C12H14H13117.0°120.0°
C11C12C13H15156.3°55.3°
C11C12C13H1684.7°64.7°
C12C13N4H15120.5°120.0°
C12C13N4H16120.5°119.9°
C13C12C11H126.5°64.4°
C13C12C11H11112.5°55.6°
C13C12H14H13117.1°120.0°
C12C13H15H16118.5°120.0°
C12C13N4H17180.0°176.8°
C12C13N4H1860.0°52.7°
N4C13C12H1485.2°64.6°
N4C13C12H13156.7°55.4°
N4C13H15H16118.5°120.0°
C13N4H17H18120.0°124.0°
C9C14C15H19120.8°119.9°
C9C14C15H20120.8°120.0°
C9C14C15N5121.5°55.3°
C9C14C15C2256.3°124.7°
C14C9C8H832.6°55.0°
C14C9C8H7152.2°65.0°
C9C14H19H20117.6°120.0°
C14C15N5C22177.7°180.0°
C14C15N5C16178.5°180.0°
C14C15C22C21177.5°180.0°
C15C14H19H20117.6°120.1°
C14C15C22H272.5°0.1°
C15C14C9H960.1°55.3°
C15N5C16C171.5°0.0°
C15N5C16N6179.9°180.0°
N5C15C22C210.2°0.0°
N5C15C14H190.7°64.6°
N5C15C14H20117.7°175.3°
N5C15C22H27179.9°179.9°
N5C16C17N6178.5°180.0°
N5C16C17C18176.8°180.0°
N5C16N6C20177.3°180.0°
N5C16C17C211.3°0.1°
C16N5C15C220.8°0.0°
C16C17C18C21177.9°179.9°
C16C17C18C190.7°0.0°
C17C16N6C201.3°0.0°
C16C17C21C220.3°0.1°
C16C17C18H21179.3°179.9°
C16C17C21H26179.7°180.0°
C17C18C19H21180.0°179.9°
C17C18C19C200.8°0.0°
C18C17C16N61.7°0.1°
C18C17C21C22177.6°180.0°
C17C18C19H22179.2°180.0°
C18C17C21H262.4°0.1°
C18C19C20H22180.0°180.0°
C18C19C20N61.3°0.1°
C18C19C20N7174.5°180.0°
C19C18C17C21178.6°179.9°
C19C20N6N7176.1°180.0°
C19C20N6C160.2°0.0°
C19C20N7H24175.8°174.7°
C19C20N7H2555.8°5.2°
C20C19C18H21179.2°179.9°
N6C20N7H240.0°5.3°
N6C20N7H25120.0°174.8°
N6C20C19H22178.7°180.0°
C16N6C20N7175.9°180.0°
N6C16C17C21179.8°180.0°
C20N7H24H25120.0°180.0°
N7C20C19H225.4°0.0°
C17C21C22H26180.0°179.9°
C17C21C22C150.4°0.1°
C21C17C18H211.4°0.0°
C17C21C22H27179.7°180.0°
C21C22C15H27180.0°179.9°
C22C15C14H19177.1°115.3°
C22C15C14H2064.5°4.7°
C15C22C21H26179.7°180.0°
H8C8C9H9152.3°65.0°
H7C8C9H988.1°174.9°
H5C5C6H61.0°0.0°
H10N3C11H12169.3°124.3°
H10N3C11H1171.6°115.6°
H4C4C3H30.4°0.0°
H19C14C9H9179.2°64.6°
H20C14C9H960.7°175.4°
H21C18C19H220.8°0.1°
H26C21C22H270.3°0.1°
H12C11C12H14127.5°175.6°
H12C11C12H13114.4°55.6°
H11C11C12H148.4°64.4°
H11C11C12H13126.5°175.6°
H14C12C13H1535.3°175.3°
H14C12C13H16154.3°55.3°
H13C12C13H1582.8°64.6°
H13C12C13H1636.2°175.4°
H15C13N4H1759.5°63.2°
H15C13N4H18179.5°172.8°
H16C13N4H1759.5°56.8°
H16C13N4H1860.5°67.2°

246905

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