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RMF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N7C8doub1.31Å1.33ÅAromatic
N7N8sing1.40Å1.37ÅAromatic
C10N8sing1.47Å1.46Å
C8C7sing1.40Å1.40ÅAromatic
N8C9sing1.35Å1.36ÅAromatic
C7C9doub1.36Å1.37ÅAromatic
C7N5sing1.41Å1.41Å
C6N5sing1.37Å1.37ÅAromatic
C6N4doub1.30Å1.31ÅAromatic
N5C4sing1.37Å1.38ÅAromatic
N4C5sing1.36Å1.39ÅAromatic
C4C5doub1.40Å1.37ÅAromatic
C4N3sing1.33Å1.34ÅAromatic
C5C2sing1.41Å1.41ÅAromatic
N3C3doub1.32Å1.35ÅAromatic
C2N1sing1.38Å1.34Å
C2N2doub1.33Å1.35ÅAromatic
C3N2sing1.33Å1.35ÅAromatic
C3N6sing1.39Å1.34Å
N1C1sing1.47Å1.45Å
C14N6sing1.47Å1.46Å
C14C13sing1.53Å1.49Å
N6C11sing1.47Å1.46Å
C1C15sing1.51Å1.49Å
C13O1sing1.43Å1.41Å
C11C12sing1.53Å1.49Å
C15N10doub1.30Å1.32ÅAromatic
C15N9sing1.36Å1.35ÅAromatic
O1C12sing1.43Å1.41Å
N10C17sing1.36Å1.39ÅAromatic
N9C16sing1.38Å1.38ÅAromatic
C17C16doub1.40Å1.40ÅAromatic
C17C21sing1.40Å1.39ÅAromatic
C16C18sing1.39Å1.39ÅAromatic
C21C20doub1.38Å1.37ÅAromatic
C18C19doub1.38Å1.38ÅAromatic
C20C19sing1.39Å1.40ÅAromatic
C20CL2sing1.74Å1.73Å
C19CL1sing1.74Å1.73Å
C6H61sing1.08Å1.08Å
C8H81sing1.08Å1.08Å
C10H103sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H102sing1.09Å1.10Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C9H92sing1.08Å1.08Å
C11H112sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H131sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C14H142sing1.09Å1.10Å
C18H181sing1.08Å1.08Å
C21H211sing1.08Å1.08Å
N1H13sing0.97Å1.00Å
N9H91sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8N7N8104.0°108.3°
N7C8C7111.7°108.2°
N7C8H81124.1°125.9°
N7N8C10119.5°126.0°
N7N8C9112.3°108.0°
C10N8C9128.3°126.0°
N8C10H103109.5°109.4°
N8C10H101109.5°109.5°
N8C10H102109.5°109.5°
C8C7C9105.9°107.8°
C8C7N5123.7°126.1°
C7C8H81124.1°125.9°
N8C9C7106.1°107.7°
N8C9H92127.0°126.2°
C9C7N5130.3°126.1°
C7C9H92126.9°126.2°
C7N5C6121.6°126.3°
C7N5C4131.6°126.4°
N5C6N4111.8°109.9°
C6N5C4106.8°107.4°
N5C6H61124.1°125.0°
C6N4C5106.0°109.5°
N4C6H61124.1°125.0°
N5C4C5105.7°106.1°
N5C4N3129.7°134.8°
N4C5C4109.7°107.2°
N4C5C2132.9°134.5°
C5C4N3124.6°119.2°
C4C5C2117.5°118.3°
C4N3C3115.6°120.6°
C5C2N1122.0°120.7°
C5C2N2118.4°118.5°
N3C3N2123.7°122.2°
N3C3N6118.4°118.8°
N1C2N2119.6°120.8°
C2N1C1122.9°120.0°
C2N1H13106.0°120.1°
C2N2C3120.3°121.2°
N2C3N6117.9°118.9°
C3N6C14120.7°111.0°
C3N6C11120.1°111.0°
N1C1C15110.8°109.5°
N1C1H11109.1°109.4°
N1C1H12109.2°109.5°
C1N1H13106.0°119.9°
N6C14C13115.2°109.2°
C14N6C11119.0°110.8°
N6C14H141108.0°109.5°
N6C14H142108.0°109.5°
C14C13O1111.8°109.3°
C14C13H132108.9°109.5°
C14C13H131108.9°109.5°
C13C14H141108.0°109.5°
C13C14H142108.1°109.6°
N6C11C12115.3°109.2°
N6C11H112108.0°109.5°
N6C11H111108.0°109.6°
C1C15N10123.8°125.0°
C1C15N9123.0°124.9°
C15C1H11109.1°109.5°
C15C1H12109.1°109.5°
C13O1C12105.6°113.7°
O1C13H132108.9°109.5°
O1C13H131108.9°109.5°
C11C12O1111.4°109.3°
C12C11H112108.0°109.5°
C12C11H111108.0°109.5°
C11C12H122109.0°109.5°
C11C12H121109.0°109.5°
N10C15N9113.2°110.0°
C15N10C17104.8°109.7°
C15N9C16107.3°107.3°
C15N9H91126.3°126.4°
O1C12H122109.0°109.5°
O1C12H121109.0°109.5°
N10C17C16109.7°107.0°
N10C17C21130.5°133.6°
N9C16C17105.1°106.0°
N9C16C18133.1°134.1°
C16N9H91126.4°126.3°
C16C17C21119.8°119.5°
C17C16C18121.8°119.9°
C17C21C20118.8°119.8°
C17C21H211120.6°120.0°
C16C18C19117.5°119.9°
C16C18H181121.3°120.1°
C21C20C19121.0°120.5°
C21C20CL2118.0°119.8°
C20C21H211120.6°120.1°
C18C19C20121.0°120.4°
C18C19CL1118.6°119.9°
C19C18H181121.2°120.1°
C19C20CL2121.0°119.8°
C20C19CL1120.3°119.8°
H103C10H101109.5°109.5°
H103C10H102109.5°109.5°
H101C10H102109.4°109.5°
H11C1H12109.4°109.5°
H112C11H111109.5°109.5°
H122C12H121109.5°109.6°
H132C13H131109.5°109.5°
H141C14H142109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8N7N8C10179.7°180.0°
N7C8C7H81180.0°179.9°
C8N7N8C90.1°0.4°
N7C8C7C90.7°0.0°
N7C8C7N5179.6°179.7°
N7N8C10C9179.6°179.5°
N8N7C8C70.4°0.2°
N7N8C9C70.5°0.4°
N8N7C8H81179.7°179.7°
N7N8C10H1030.0°90.0°
N7N8C10H101120.0°150.0°
N7N8C10H102120.0°30.0°
N7N8C9H92179.5°179.6°
C10N8C9C7179.9°180.0°
N8C10H103H101120.0°120.0°
N8C10H103H102120.0°120.0°
N8C10H101H102120.0°120.0°
C10N8C9H920.0°0.0°
C8C7C9N80.7°0.3°
C8C7C9N5179.7°179.7°
C8C7N5C615.5°130.4°
C8C7N5C4164.9°50.1°
C8C7C9H92179.4°179.7°
N8C9C7H92180.0°180.0°
N8C9C7N5179.6°179.9°
C9N8C10H103179.6°89.6°
C9N8C10H10159.5°30.5°
C9N8C10H10260.4°150.4°
C9C7N5C6164.1°50.0°
C9C7N5C415.4°129.5°
C9C7C8H81179.4°180.0°
C7N5C6C4179.6°179.6°
C7N5C6N4179.7°180.0°
C7N5C4C5179.4°180.0°
C7N5C4N30.7°0.3°
C7N5C6H610.3°0.0°
N5C7C8H810.4°0.4°
N5C7C9H920.3°0.0°
N5C6N4H61180.0°180.0°
N5C6N4C50.1°0.2°
C6N5C4C51.0°0.3°
C6N5C4N3179.7°179.9°
N4C6N5C40.7°0.4°
C6N4C5C40.5°0.0°
C6N4C5C2179.6°180.0°
N5C4C5N41.0°0.2°
N5C4C5N3178.8°179.8°
N5C4C5C2179.8°179.8°
N5C4N3C3179.0°179.7°
C4N5C6H61179.3°179.6°
N4C5C4C2179.2°180.0°
N4C5C4N3179.7°180.0°
N4C5C2N12.2°0.0°
N4C5C2N2179.6°180.0°
C5N4C6H61179.9°179.7°
C5C4N3C30.5°0.1°
C4C5C2N1178.8°180.0°
C4C5C2N21.4°0.0°
N3C4C5C21.0°0.0°
C4N3C3N20.4°0.1°
C4N3C3N6180.0°179.9°
C5C2N1N2177.3°180.0°
C5C2N2C31.4°0.0°
C5C2N1C1156.2°180.0°
C5C2N1H1381.9°0.0°
N3C3N2C20.9°0.0°
N3C3N2N6179.6°180.0°
N3C3N6C140.5°180.0°
N3C3N6C11176.4°56.3°
N1C2N2C3178.8°180.0°
C2N1C1H13121.9°180.0°
C2N1C1C1579.8°180.0°
C2N1C1H11160.0°60.0°
C2N1C1H1240.5°60.0°
C2N2C3N6179.5°179.9°
N2C2N1C121.1°0.0°
N2C2N1H13100.8°180.0°
N2C3N6C14179.1°0.0°
N2C3N6C113.2°123.6°
C3N6C14C11175.9°123.8°
C3N6C14C13177.3°177.6°
C3N6C11C12176.8°177.6°
C3N6C11H11255.9°62.4°
C3N6C11H11162.3°57.7°
C3N6C14H14161.9°57.7°
C3N6C14H14256.5°62.5°
N1C1C15H11120.2°120.0°
N1C1C15H12120.2°120.0°
N1C1C15N1055.5°85.0°
N1C1C15N9122.8°94.7°
N1C1H11H12119.4°120.0°
N6C14C13H141120.8°119.9°
N6C14C13H142120.8°120.0°
N6C14C13O137.5°56.9°
C14N6C11C127.3°58.6°
C14N6C11H112128.1°61.3°
C14N6C11H111113.6°178.6°
N6C14C13H132157.8°63.1°
N6C14C13H13182.8°176.8°
N6C14H141H142117.4°120.1°
C13C14N6C116.8°58.7°
C14C13O1H132120.3°120.0°
C14C13O1H131120.3°120.0°
C14C13O1C1268.5°58.7°
C14C13H132H131119.0°120.1°
C13C14H141H142117.5°120.2°
N6C11C12H112120.9°120.0°
N6C11C12H111120.9°120.0°
N6C11C12O138.4°56.9°
N6C11H112H111117.4°120.2°
N6C11C12H12281.9°176.8°
N6C11C12H121158.7°63.1°
C11N6C14H141114.1°178.5°
C11N6C14H142127.6°61.3°
C1C15N10N9178.5°179.7°
C1C15N10C17179.2°180.0°
C1C15N9C16179.3°180.0°
C15C1H11H12119.4°120.0°
C15C1N1H1342.1°0.0°
C1C15N9H910.7°0.0°
C13O1C12C1168.8°58.7°
C13O1C12H12251.5°178.6°
C13O1C12H121170.9°61.3°
O1C13H132H131119.0°120.1°
O1C13C14H14183.3°176.7°
O1C13C14H142158.3°63.1°
C11C12O1H122120.3°119.9°
C11C12O1H121120.3°120.0°
C12C11H112H111117.3°120.0°
C11C12H122H121119.1°120.1°
N10C15N9C160.7°0.3°
C15N10C17C160.4°0.1°
C15N10C17C21179.7°179.9°
N10C15C1H1164.7°35.0°
N10C15C1H12175.8°155.0°
N10C15N9H91179.3°179.7°
N9C15N10C170.7°0.3°
C15N9C16H91180.0°180.0°
C15N9C16C170.4°0.2°
C15N9C16C18179.9°179.9°
N9C15C1H11117.0°145.3°
N9C15C1H122.6°25.3°
O1C12C11H112159.3°63.1°
O1C12C11H11182.4°176.8°
O1C12H122H121119.1°120.1°
C12O1C13H132171.2°61.3°
C12O1C13H13151.9°178.6°
N10C17C16N90.0°0.0°
N10C17C16C21179.9°180.0°
N10C17C16C18179.7°180.0°
N10C17C21C20179.7°180.0°
N10C17C21H2110.3°0.0°
N9C16C17C18179.7°180.0°
N9C16C17C21179.9°180.0°
N9C16C18C19179.7°179.9°
N9C16C18H1810.3°0.1°
C16C17C21C200.2°0.0°
C17C16C18C190.1°0.0°
C17C16C18H181179.9°180.0°
C16C17C21H211179.8°180.0°
C17C16N9H91179.6°179.8°
C21C17C16C180.2°0.0°
C17C21C20H211180.0°180.0°
C17C21C20C190.1°0.0°
C17C21C20CL2179.7°180.0°
C16C18C19H181180.0°180.0°
C16C18C19C200.1°0.0°
C16C18C19CL1180.0°180.0°
C18C16N9H910.1°0.1°
C21C20C19C180.1°0.0°
C21C20C19CL2179.8°180.0°
C21C20C19CL1180.0°180.0°
C18C19C20CL1179.9°180.0°
C18C19C20CL2179.8°180.0°
C20C19C18H181180.0°180.0°
C19C20C21H211179.9°180.0°
CL2C20C19CL10.3°0.0°
CL2C20C21H2110.3°0.0°
CL1C19C18H1810.0°0.0°
H103C10H101H102120.0°120.0°
H11C1N1H1378.1°120.0°
H12C1N1H13162.3°120.0°
H112C11C12H12239.0°56.8°
H112C11C12H12180.4°177.0°
H111C11C12H122157.3°63.2°
H111C11C12H12137.8°56.9°
H132C13C14H14137.0°56.8°
H132C13C14H14281.3°176.9°
H131C13C14H141156.4°63.3°
H131C13C14H14238.0°56.9°

246704

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