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Q4C

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21C18sing1.51Å1.50Å
C17C18doub1.38Å1.38ÅAromatic
C17C16sing1.39Å1.39ÅAromatic
C25C24sing1.53Å1.53Å
C25N4sing1.47Å1.46Å
O3C24sing1.43Å1.43Å
O3C23sing1.43Å1.40Å
C18C14sing1.39Å1.40ÅAromatic
N4C22sing1.47Å1.44Å
N4C16sing1.40Å1.43Å
C22C23sing1.53Å1.50Å
C16C15doub1.39Å1.37ÅAromatic
C14N2sing1.40Å1.36Å
C14N3doub1.32Å1.33ÅAromatic
C15N3sing1.32Å1.34ÅAromatic
N2C13sing1.35Å1.32Å
C19C20doub1.38Å1.40ÅAromatic
C19C12sing1.40Å1.40ÅAromatic
C13O2doub1.22Å1.20Å
C13C12sing1.48Å1.50Å
C20C1sing1.38Å1.39ÅAromatic
C12C11doub1.39Å1.39ÅAromatic
C1F3sing1.35Å1.35Å
C1C2doub1.40Å1.39ÅAromatic
C11C2sing1.39Å1.40ÅAromatic
C2C3sing1.48Å1.49Å
C3N1sing1.35Å1.35Å
C3O1doub1.22Å1.23Å
N1C4sing1.47Å1.43Å
F1C7sing1.35Å1.34Å
C7C6sing1.38Å1.39ÅAromatic
C7C8doub1.39Å1.38ÅAromatic
C6C5doub1.38Å1.38ÅAromatic
F2C8sing1.35Å1.35Å
C8C9sing1.38Å1.36ÅAromatic
C5C4sing1.51Å1.51Å
C5C10sing1.38Å1.40ÅAromatic
C9C10doub1.38Å1.39ÅAromatic
N1H1sing0.97Å1.00Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C6H4sing1.08Å1.08Å
C10H5sing1.08Å1.08Å
C15H6sing1.08Å1.08Å
C17H7sing1.08Å1.08Å
C20H8sing1.08Å1.08Å
C21H9sing1.09Å1.10Å
C21H10sing1.09Å1.10Å
C21H11sing1.09Å1.10Å
C22H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C9H16sing1.08Å1.08Å
C11H17sing1.08Å1.08Å
N2H18sing0.97Å1.00Å
C23H20sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C25H22sing1.09Å1.10Å
C25H23sing1.09Å1.10Å
C19CL1sing1.74Å1.72Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21C18C17118.7°120.4°
C21C18C14120.6°120.4°
C18C21H9109.5°109.4°
C18C21H10109.5°109.4°
C18C21H11109.5°109.4°
C18C17C16120.7°118.4°
C17C18C14120.0°119.2°
C18C17H7119.7°120.8°
C17C16N4121.2°120.4°
C17C16C15116.5°119.2°
C16C17H7119.7°120.8°
C24C25N4113.9°109.3°
C25C24O3115.7°109.3°
C25C24H14107.9°109.5°
C25C24H15107.9°109.6°
C24C25H22108.4°109.5°
C24C25H23108.4°109.5°
C25N4C22119.9°110.7°
C25N4C16118.2°111.0°
N4C25H22108.3°109.5°
N4C25H23108.3°109.5°
C24O3C23108.7°113.7°
O3C24H14107.9°109.5°
O3C24H15107.9°109.5°
O3C23C22112.9°109.2°
O3C23H20108.6°109.6°
O3C23H21108.6°109.5°
C18C14N2122.7°119.7°
C18C14N3117.3°120.7°
C22N4C16121.9°111.0°
N4C22C23110.4°109.3°
N4C22H12109.3°109.5°
N4C22H13109.2°109.6°
N4C16C15122.3°120.4°
C23C22H12109.2°109.5°
C23C22H13109.2°109.5°
C22C23H20108.6°109.5°
C22C23H21108.6°109.5°
C16C15N3122.2°120.8°
C16C15H6118.9°119.6°
N2C14N3118.8°119.6°
C14N2C13121.3°120.0°
C14N2H18119.4°120.0°
C14N3C15122.8°121.7°
N3C15H6118.9°119.6°
N2C13O2129.4°119.9°
N2C13C12107.3°120.0°
C13N2H18119.3°119.9°
C20C19C12116.4°120.2°
C19C20C1122.3°120.2°
C19C20H8118.8°119.9°
C20C19CL1121.3°119.9°
C19C12C13120.5°120.0°
C19C12C11121.7°119.9°
C12C19CL1122.3°119.9°
O2C13C12123.1°120.0°
C13C12C11117.6°120.1°
C20C1F3121.1°119.9°
C20C1C2119.9°120.1°
C1C20H8118.8°119.9°
C12C11C2120.6°119.8°
C12C11H17119.7°120.1°
F3C1C2118.9°119.9°
C1C2C11119.0°119.8°
C1C2C3120.9°120.1°
C11C2C3120.1°120.1°
C2C11H17119.7°120.1°
C2C3N1121.2°120.0°
C2C3O1116.7°120.0°
N1C3O1122.0°120.0°
C3N1C4120.0°120.0°
C3N1H1120.0°120.1°
N1C4C5110.8°109.5°
C4N1H1120.0°119.9°
N1C4H2109.1°109.5°
N1C4H3109.1°109.4°
F1C7C6121.2°120.0°
F1C7C8117.1°120.0°
C6C7C8121.7°120.0°
C7C6C5119.3°119.9°
C7C6H4120.4°120.0°
C7C8F2120.4°120.1°
C7C8C9119.1°119.9°
C6C5C4123.1°119.9°
C6C5C10118.7°120.1°
C5C6H4120.4°120.0°
F2C8C9120.5°120.0°
C8C9C10120.1°120.0°
C8C9H16119.9°120.0°
C4C5C10118.2°120.0°
C5C4H2109.1°109.5°
C5C4H3109.1°109.5°
C5C10C9121.0°120.1°
C5C10H5119.5°120.0°
C9C10H5119.5°120.0°
C10C9H16119.9°120.0°
H2C4H3109.5°109.5°
H9C21H10109.4°109.5°
H9C21H11109.5°109.5°
H10C21H11109.4°109.5°
H12C22H13109.5°109.5°
H14C24H15109.5°109.4°
H20C23H21109.4°109.5°
H22C25H23109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21C18C17C14170.8°179.9°
C21C18C17C16177.2°180.0°
C21C18C14N216.1°0.1°
C21C18C14N3176.9°180.0°
C21C18C17H72.8°0.0°
C18C21H9H10120.0°119.9°
C18C21H9H11120.0°120.0°
C18C21H10H11120.0°119.9°
C18C17C16H7180.0°180.0°
C18C17C16N4175.7°180.0°
C18C17C16C151.6°0.0°
C17C18C14N2173.3°180.0°
C17C18C14N36.3°0.1°
C17C18C21H985.6°90.0°
C17C18C21H10154.5°150.0°
C17C18C21H1134.5°30.0°
C17C16N4C2530.2°56.4°
C16C17C18C146.4°0.0°
C17C16N4C22149.3°180.0°
C17C16N4C15177.2°180.0°
C17C16C15N33.3°0.0°
C17C16C15H6176.8°180.0°
C24C25N4H22120.7°119.9°
C24C25N4H23120.7°119.9°
C25C24O3H14120.9°120.0°
C25C24O3H15120.9°120.0°
C25C24O3C2352.9°58.7°
C24C25N4C2224.5°58.6°
C24C25N4C16155.9°177.6°
C25C24H14H15117.2°120.1°
C24C25H22H23118.0°120.1°
N4C25C24O332.8°56.9°
C25N4C22C16179.6°123.7°
C25N4C22C2334.8°58.6°
C25N4C16C15146.9°123.6°
C25N4C22H12155.0°178.6°
C25N4C22H1385.3°61.4°
N4C25C24H14153.7°63.1°
N4C25C24H1588.1°176.8°
N4C25H22H23118.0°120.2°
C24O3C23C2265.2°58.7°
O3C24H14H15117.1°120.1°
C24O3C23H20174.3°61.2°
C24O3C23H2155.3°178.6°
O3C24C25H22153.4°176.8°
O3C24C25H2387.8°63.1°
O3C23C22N456.0°56.9°
O3C23C22H20120.5°120.0°
O3C23C22H21120.5°119.9°
O3C23C22H12176.1°176.8°
O3C23C22H1364.1°63.1°
C23O3C24H14173.8°61.2°
C23O3C24H1568.0°178.7°
O3C23H20H21118.4°120.2°
C18C14N2N3166.9°179.9°
C18C14N3C151.5°0.1°
C18C14N2C1373.2°180.0°
C14C18C17H7173.6°179.9°
C14C18C21H985.2°90.0°
C14C18C21H1034.8°30.0°
C14C18C21H11154.8°149.9°
C18C14N2H18106.8°0.0°
N4C22C23H12120.2°119.9°
N4C22C23H13120.1°120.0°
C22N4C16C1533.5°0.0°
N4C22H12H13119.6°120.2°
N4C22C23H20176.5°63.1°
N4C22C23H2164.6°176.8°
C22N4C25H22145.2°178.5°
C22N4C25H2396.2°61.3°
C16N4C22C23145.6°177.6°
N4C16C15N3179.5°180.0°
N4C16C15H60.5°0.0°
N4C16C17H74.3°0.0°
C16N4C22H1225.5°57.7°
C16N4C22H1394.3°62.4°
C16N4C25H2235.3°57.7°
C16N4C25H2383.4°62.5°
C23C22H12H13119.6°120.1°
C22C23H20H21118.4°120.1°
C16C15N3C143.4°0.1°
C16C15N3H6180.0°180.0°
C15C16C17H7178.4°180.0°
N2C14N3C15169.1°180.0°
C14N2C13H18180.0°180.0°
C14N2C13O29.8°0.1°
C14N2C13C12164.8°180.0°
N3C14N2C1393.7°0.0°
C14N3C15H6176.6°180.0°
N3C14N2H1886.3°180.0°
N2C13C12C1972.8°179.7°
N2C13O2C12173.8°179.9°
N2C13C12C11102.1°0.0°
C20C19C12CL1178.5°179.4°
C20C19C12C13175.5°179.7°
C19C20C1H8180.0°179.7°
C20C19C12C110.8°0.6°
C19C20C1F3178.8°179.7°
C19C20C1C23.0°0.3°
C19C12C13O2112.2°0.2°
C19C12C13C11174.9°179.7°
C12C19C20C11.8°0.6°
C19C12C11C22.2°0.2°
C12C19C20H8178.2°179.7°
C19C12C11H17177.8°179.7°
O2C13C12C1172.9°180.0°
O2C13N2H18170.2°180.0°
C13C12C11C2177.0°180.0°
C13C12C11H173.0°0.0°
C12C13N2H1815.2°0.0°
C13C12C19CL16.0°0.2°
C20C1F3C2178.2°180.0°
C20C1C2C111.6°0.0°
C20C1C2C3179.5°180.0°
C1C20C19CL1176.8°179.9°
C12C11C2C11.0°0.1°
C12C11C2H17180.0°179.9°
C12C11C2C3178.0°180.0°
C11C12C19CL1179.4°180.0°
F3C1C2C11179.8°180.0°
F3C1C2C31.2°0.0°
F3C1C20H81.2°0.0°
C1C2C11C3179.0°180.0°
C1C2C3N135.2°180.0°
C1C2C3O1141.4°0.0°
C2C1C20H8177.0°180.0°
C1C2C11H17179.0°180.0°
C11C2C3N1145.8°0.0°
C11C2C3O137.6°179.9°
C2C3N1O1176.4°179.9°
C2C3N1C4178.4°180.0°
C2C3N1H11.7°0.2°
C3C2C11H172.0°0.0°
C3N1C4H1180.0°179.7°
C3N1C4C5105.0°179.7°
C3N1C4H215.2°59.7°
C3N1C4H3134.8°60.3°
O1C3N1C45.3°0.0°
O1C3N1H1174.7°179.7°
N1C4C5C654.3°89.7°
N1C4C5H2120.2°120.0°
N1C4C5H3120.2°119.9°
N1C4C5C10126.3°90.1°
N1C4H2H3119.4°120.0°
F1C7C6C8176.8°179.9°
F1C7C6C5179.9°179.9°
F1C7C8F20.6°0.1°
F1C7C8C9179.1°179.9°
F1C7C6H40.0°0.0°
C7C6C5H4180.0°179.9°
C6C7C8F2177.5°180.0°
C6C7C8C92.1°0.0°
C7C6C5C4178.5°180.0°
C7C6C5C102.0°0.2°
C8C7C6C53.3°0.0°
C7C8F2C9179.6°180.0°
C7C8C9C100.2°0.3°
C8C7C6H4176.8°179.9°
C7C8C9H16179.9°179.9°
C6C5C4C10179.4°179.8°
C6C5C10C90.2°0.5°
C6C5C4H265.9°150.3°
C6C5C4H3174.5°30.2°
C6C5C10H5179.8°179.7°
F2C8C9C10179.8°179.7°
F2C8C9H160.2°0.1°
C8C9C10C51.3°0.5°
C8C9C10H16180.0°179.7°
C8C9C10H5178.7°179.7°
C4C5C10C9179.3°179.8°
C5C4N1H175.0°0.0°
C5C4H2H3119.4°120.0°
C4C5C6H41.5°0.1°
C4C5C10H50.7°0.1°
C5C10C9H5180.0°179.8°
C10C5C4H2113.5°30.0°
C10C5C4H36.1°150.0°
C10C5C6H4178.0°179.8°
C5C10C9H16178.7°179.8°
H1N1C4H2164.8°120.0°
H1N1C4H345.2°120.0°
H5C10C9H161.3°0.0°
H8C20C19CL13.2°0.3°
H9C21H10H11120.0°120.1°
H12C22C23H2063.4°56.8°
H12C22C23H2155.6°63.3°
H13C22C23H2056.4°176.9°
H13C22C23H21175.3°56.8°
H14C24C25H2285.7°56.8°
H14C24C25H2333.1°176.9°
H15C24C25H2232.5°63.3°
H15C24C25H23151.2°56.9°

224931

PDB entries from 2024-09-11

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