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FQ5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C13N2doub1.31Å1.32ÅAromatic
C13C11sing1.40Å1.40ÅAromatic
C10C11sing1.51Å1.51Å
C10C9sing1.53Å1.52Å
N2N1sing1.40Å1.36ÅAromatic
C11C12doub1.35Å1.36ÅAromatic
N1C12sing1.36Å1.35ÅAromatic
N1C14sing1.40Å1.41Å
CLCsing1.74Å1.74Å
C7C8sing1.53Å1.52Å
C7C6sing1.53Å1.53Å
N3C14doub1.32Å1.33ÅAromatic
N3C15sing1.32Å1.34ÅAromatic
C14C18sing1.40Å1.42ÅAromatic
C8Nsing1.47Å1.46Å
N4C18sing1.35Å1.36Å
N4C19doub1.30Å1.31Å
C18C17doub1.41Å1.40ÅAromatic
CC5doub1.38Å1.38ÅAromatic
CC1sing1.38Å1.38ÅAromatic
C15C16doub1.38Å1.37ÅAromatic
C9Nsing1.47Å1.47Å
NC21sing1.47Å1.46Å
C5C4sing1.38Å1.39ÅAromatic
C19N5sing1.36Å1.35Å
C1C2doub1.38Å1.38ÅAromatic
C17C16sing1.39Å1.39ÅAromatic
C17C20sing1.47Å1.46Å
C4C6sing1.51Å1.51Å
C4C3doub1.38Å1.39ÅAromatic
C6C22sing1.53Å1.53Å
N5C20sing1.35Å1.32Å
C2C3sing1.38Å1.38ÅAromatic
C20Odoub1.22Å1.22Å
C22C21sing1.53Å1.52Å
C1H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
C6H3sing1.09Å1.10Å
C13H4sing1.08Å1.08Å
C15H5sing1.08Å1.08Å
C22H6sing1.09Å1.10Å
C22H7sing1.09Å1.10Å
C16H8sing1.08Å1.08Å
N5H9sing0.97Å1.00Å
C19H10sing1.08Å1.08Å
C12H11sing1.08Å1.08Å
C10H12sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C9H14sing1.09Å1.10Å
C9H15sing1.09Å1.10Å
C8H17sing1.09Å1.10Å
C8H18sing1.09Å1.10Å
C7H19sing1.09Å1.10Å
C7H20sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C5H23sing1.08Å1.08Å
C2H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C13C11112.4°108.4°
C13N2N1104.1°108.2°
N2C13H4123.8°125.8°
C13C11C10129.1°126.0°
C13C11C12104.1°108.0°
C11C13H4123.8°125.8°
C11C10C9112.1°109.5°
C10C11C12126.8°126.0°
C11C10H12108.8°109.5°
C11C10H13108.8°109.5°
C10C9N114.4°109.5°
C9C10H12108.8°109.5°
C9C10H13108.8°109.5°
C10C9H14108.2°109.5°
C10C9H15108.2°109.4°
N2N1C12111.9°107.8°
N2N1C14120.1°126.1°
C11C12N1107.5°107.6°
C11C12H11126.3°126.2°
C12N1C14127.9°126.1°
N1C12H11126.2°126.2°
N1C14N3113.7°120.0°
N1C14C18121.5°120.0°
CLCC5118.8°120.0°
CLCC1119.4°120.1°
C8C7C6111.1°109.3°
C7C8N110.8°109.5°
C7C8H17109.1°109.5°
C7C8H18109.1°109.5°
C8C7H19109.1°109.5°
C8C7H20109.1°109.5°
C7C6C4112.1°109.5°
C7C6C22109.3°109.2°
C7C6H3107.7°109.6°
C6C7H19109.1°109.5°
C6C7H20109.1°109.5°
C14N3C15117.9°122.7°
N3C14C18124.1°119.9°
N3C15C16124.0°121.5°
N3C15H5118.0°119.3°
C14C18N4122.9°122.5°
C14C18C17115.1°118.5°
C8NC9111.1°111.0°
C8NC21108.7°111.2°
NC8H17109.1°109.5°
NC8H18109.1°109.5°
C18N4C19116.0°121.5°
N4C18C17122.0°119.0°
N4C19N5125.4°123.5°
N4C19H10117.3°118.2°
C18C17C16121.2°118.9°
C18C17C20118.5°118.2°
C5CC1121.8°120.0°
CC5C4119.7°120.0°
CC5H23120.2°120.0°
CC1C2118.6°120.0°
CC1H1120.7°120.0°
C15C16C17117.5°118.5°
C16C15H5118.0°119.2°
C15C16H8121.3°120.7°
C9NC21110.8°111.0°
NC9H14108.2°109.5°
NC9H15108.2°109.5°
NC21C22111.0°109.5°
NC21H21109.1°109.5°
NC21H22109.1°109.4°
C5C4C6120.0°120.0°
C5C4C3119.0°120.1°
C4C5H23120.2°120.0°
C19N5C20122.8°120.5°
C19N5H9118.6°119.7°
N5C19H10117.3°118.2°
C1C2C3120.4°120.0°
C2C1H1120.7°120.0°
C1C2H24119.8°120.0°
C16C17C20120.3°122.9°
C17C16H8121.3°120.8°
C17C20N5115.2°117.2°
C17C20O123.5°121.4°
C6C4C3121.0°120.0°
C4C6C22111.9°109.6°
C4C6H3107.9°109.5°
C4C3C2120.6°120.0°
C4C3H2119.7°120.0°
C6C22C21111.1°109.3°
C22C6H3107.8°109.5°
C6C22H6109.1°109.5°
C6C22H7109.1°109.5°
N5C20O121.2°121.4°
C20N5H9118.6°119.7°
C2C3H2119.7°120.0°
C3C2H24119.8°120.0°
C21C22H6109.1°109.5°
C21C22H7109.1°109.5°
C22C21H21109.1°109.5°
C22C21H22109.1°109.5°
H6C22H7109.5°109.5°
H12C10H13109.5°109.4°
H14C9H15109.5°109.5°
H17C8H18109.5°109.4°
H19C7H20109.4°109.5°
H21C21H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C13C11H4180.0°180.0°
N2C13C11C10180.0°180.0°
N2C13C11C120.2°0.0°
C13N2N1C120.5°0.0°
C13N2N1C14176.4°180.0°
C13C11C10C12179.8°180.0°
C13C11C10C989.4°90.0°
C11C13N2N10.4°0.0°
C13C11C12N10.1°0.0°
C13C11C12H11179.9°180.0°
C13C11C10H1231.0°150.0°
C13C11C10H13150.2°30.0°
C11C10C9H12120.4°120.0°
C11C10C9H13120.4°120.0°
C10C11C12N1179.7°180.0°
C11C10C9N175.6°180.0°
C10C11C13H40.0°0.0°
C10C11C12H110.3°0.1°
C11C10H12H13118.8°120.0°
C11C10C9H1454.9°60.0°
C11C10C9H1563.7°60.0°
C9C10C11C1290.4°90.0°
C10C9NC886.2°65.8°
C10C9NH14120.7°120.0°
C10C9NH15120.7°119.9°
C10C9NC21152.9°170.0°
C9C10H12H13118.8°120.0°
C10C9H14H15117.8°120.0°
N2N1C12C110.4°0.0°
N2N1C12C14176.6°180.0°
N2N1C14N32.3°155.3°
N2N1C14C18173.0°25.0°
N1N2C13H4179.6°180.0°
N2N1C12H11179.6°179.9°
C11C12N1H11180.0°180.0°
C11C12N1C14176.2°180.0°
C12C11C13H4179.8°180.0°
C12C11C10H12149.3°30.0°
C12C11C10H1330.0°150.0°
C12N1C14N3174.1°24.7°
C12N1C14C183.4°155.0°
N1C14N3C18170.4°179.7°
N1C14N3C15166.0°179.7°
N1C14C18N418.6°0.3°
N1C14C18C17163.3°179.8°
C14N1C12H113.8°0.0°
CLCC5C1179.6°180.0°
CLCC5C4179.3°179.5°
CLCC1C2179.4°180.0°
CLCC1H10.6°0.3°
CLCC5H230.7°0.3°
C8C7C6H19120.2°119.9°
C8C7C6H20120.3°120.0°
C7C8NH17120.2°120.0°
C7C8NH18120.2°120.0°
C7C8NC9175.3°174.2°
C7C8NC2162.5°61.8°
C8C7C6C4176.9°177.6°
C8C7C6C2252.2°57.6°
C8C7C6H364.6°62.3°
C7C8H17H18119.4°119.9°
C8C7H19H20119.2°120.1°
C6C7C8N58.6°59.1°
C7C6C4C571.9°59.2°
C7C6C4C22123.2°119.7°
C7C6C4H3118.4°120.2°
C7C6C4C3107.9°120.3°
C7C6C22H3116.8°120.0°
C7C6C22C2151.9°57.7°
C7C6C22H6172.2°177.6°
C7C6C22H768.3°62.3°
C6C7C8H17178.8°60.9°
C6C7C8H1861.6°179.2°
C6C7H19H20119.3°120.1°
N3C14C18N4171.7°179.9°
N3C14C18C176.4°0.1°
C14N3C15C160.3°0.0°
C14N3C15H5179.7°180.0°
C15N3C14C184.4°0.0°
N3C15C16H5180.0°180.0°
N3C15C16C172.6°0.0°
N3C15C16H8177.4°179.9°
C14C18N4C17178.0°179.9°
C14C18N4C19178.7°180.0°
C14C18C17C163.8°0.1°
C14C18C17C20178.6°180.0°
C8NC9C21120.9°124.2°
C8NC21C2262.3°61.8°
C8NC9H14153.1°174.2°
C8NC9H1534.6°54.2°
NC8H17H18119.4°120.0°
NC8C7H19178.8°60.8°
NC8C7H2061.7°179.1°
C8NC21H21177.4°58.3°
C8NC21H2257.9°178.2°
C18N4C19N51.6°0.0°
N4C18C17C16174.3°179.9°
N4C18C17C203.3°0.1°
C18N4C19H10178.4°180.0°
C19N4C18C170.8°0.1°
N4C19N5H10180.0°180.0°
N4C19N5C201.2°0.0°
N4C19N5H9178.8°180.0°
C18C17C16C150.2°0.0°
C18C17C16C20177.6°180.0°
C18C17C20N53.5°0.0°
C18C17C20O172.5°180.0°
C18C17C16H8179.7°180.0°
CC5C4H23180.0°179.8°
C5CC1C20.2°0.0°
CC5C4C6179.6°179.7°
CC5C4C30.2°0.7°
C5CC1H1179.8°179.7°
C1CC5C40.3°0.5°
CC1C2H1180.0°179.7°
CC1C2C30.0°0.2°
C1CC5H23179.7°179.7°
CC1C2H24180.0°179.7°
C15C16C17H8180.0°179.9°
C15C16C17C20177.3°180.0°
C9NC21C22175.4°174.2°
NC9C10H1264.0°60.0°
NC9C10H1355.2°60.0°
NC9H14H15117.7°120.0°
C9NC8H1755.1°65.8°
C9NC8H1864.5°54.1°
C9NC21H2155.1°65.8°
C9NC21H2264.4°54.2°
NC21C22C658.1°59.2°
NC21C22H21120.2°120.1°
NC21C22H22120.2°120.0°
NC21C22H6178.3°179.1°
NC21C22H762.2°60.7°
C21NC9H1432.2°50.0°
C21NC9H1586.3°70.0°
C21NC8H17177.3°58.3°
C21NC8H1857.7°178.2°
NC21H21H22119.3°119.9°
C5C4C6C3179.8°179.6°
C5C4C6C2251.3°60.5°
C5C4C3C20.1°0.5°
C5C4C3H2179.9°179.5°
C5C4C6H3169.7°179.4°
C19N5C20C171.4°0.1°
C19N5C20H9180.0°179.9°
C19N5C20O174.7°179.9°
C1C2C3C40.2°0.1°
C1C2C3H24180.0°179.9°
C1C2C3H2179.8°180.0°
C16C17C20N5174.1°180.0°
C16C17C20O9.9°0.0°
C17C16C15H5177.4°180.0°
C17C20N5O176.1°180.0°
C20C17C16H82.7°0.1°
C17C20N5H9178.6°180.0°
C4C6C22H3118.5°120.1°
C6C4C3C2179.9°179.9°
C4C6C22C21176.7°177.6°
C6C4C3H20.1°0.1°
C4C6C22H663.1°62.5°
C4C6C22H756.5°57.6°
C4C6C7H1962.9°57.6°
C4C6C7H2056.6°62.5°
C6C4C5H230.4°0.1°
C3C4C6C22128.9°120.0°
C4C3C2H2180.0°180.0°
C3C4C6H310.5°0.2°
C3C4C5H23179.8°179.5°
C4C3C2H24179.8°180.0°
C6C22C21H6120.2°119.9°
C6C22C21H7120.2°119.9°
C6C22H6H7119.3°120.1°
C22C6C7H19172.5°62.3°
C22C6C7H2068.0°177.6°
C6C22C21H21178.3°60.8°
C6C22C21H2262.1°179.2°
C20N5C19H10178.8°180.0°
C3C2C1H1180.0°179.9°
OC20N5H95.4°0.0°
C21C22C6H364.8°62.3°
C21C22H6H7119.2°120.1°
C22C21H21H22119.3°120.0°
H1C1C2H240.0°0.0°
H2C3C2H240.2°0.1°
H3C6C22H655.4°57.6°
H3C6C22H7174.9°177.7°
H3C6C7H1955.7°177.8°
H3C6C7H20175.2°57.7°
H5C15C16H82.6°0.1°
H6C22C21H2161.4°59.1°
H6C22C21H2258.1°60.9°
H7C22C21H2158.1°179.2°
H7C22C21H22177.6°59.2°
H9N5C19H101.2°0.1°
H12C10C9H14175.3°180.0°
H12C10C9H1556.7°60.0°
H13C10C9H1465.5°60.0°
H13C10C9H15175.9°179.9°
H17C8C7H1961.0°179.2°
H17C8C7H2058.5°59.1°
H18C8C7H1958.6°59.3°
H18C8C7H20178.1°60.8°

222624

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