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A1CQQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.49Å
C7C6doub1.38Å1.39ÅAromatic
C7C8sing1.38Å1.39ÅAromatic
N1C2doub1.30Å1.33ÅAromatic
N1N2sing1.40Å1.35ÅAromatic
C6C5sing1.38Å1.40ÅAromatic
C2C23sing1.46Å1.41ÅAromatic
C3N2sing1.46Å1.46Å
C3C4sing1.53Å1.56Å
C8C9doub1.38Å1.41ÅAromatic
N2C11sing1.37Å1.35ÅAromatic
C23C11doub1.41Å1.42ÅAromatic
C23C22sing1.40Å1.40ÅAromatic
C5C4sing1.51Å1.51Å
C5C10doub1.38Å1.39ÅAromatic
C11N3sing1.33Å1.36ÅAromatic
C9C10sing1.38Å1.40ÅAromatic
C22C13doub1.40Å1.39ÅAromatic
N3C12doub1.31Å1.30ÅAromatic
C13C12sing1.40Å1.40ÅAromatic
C13C14sing1.48Å1.50Å
O1C14doub1.22Å1.22Å
C14N4sing1.35Å1.31Å
N4C15sing1.47Å1.48Å
C15C16sing1.53Å1.50Å
C16C17sing1.51Å1.53Å
C17O2doub1.21Å1.27Å
C17N5sing1.35Å1.33Å
C18N5sing1.47Å1.48Å
C18C19sing1.54Å1.51Å
N5C21sing1.47Å1.47Å
C19C20sing1.55Å1.47Å
C21C20sing1.55Å1.49Å
C10H12sing1.08Å1.08Å
C12H13sing1.08Å1.08Å
C15H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C19H21sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
C20H23sing1.09Å1.10Å
C20H24sing1.09Å1.10Å
C21H26sing1.09Å1.10Å
C21H25sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C6H8sing1.08Å1.08Å
C7H9sing1.08Å1.08Å
C8H10sing1.08Å1.08Å
C9H11sing1.08Å1.08Å
N4H14sing0.97Å1.00Å
C22CL1sing1.74Å1.96Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2N1121.5°126.3°
C1C2C23130.3°126.2°
C2C1H2109.5°109.5°
C2C1H3109.5°109.4°
C2C1H1109.5°109.5°
C6C7C8119.9°120.0°
C7C6C5122.0°120.0°
C7C6H8119.0°120.0°
C6C7H9120.0°120.0°
C7C8C9119.1°120.0°
C8C7H9120.0°120.0°
C7C8H10120.4°120.0°
C2N1N2109.6°110.2°
N1C2C23107.9°107.6°
N1N2C3120.8°125.4°
N1N2C11109.9°109.3°
C6C5C4120.2°120.0°
C6C5C10118.1°120.0°
C5C6H8119.0°120.0°
C2C23C11105.8°106.5°
C2C23C22137.8°134.1°
N2C3C4113.0°109.4°
C3N2C11129.1°125.3°
N2C3H4108.6°109.5°
N2C3H5108.6°109.5°
C3C4C5106.2°109.4°
C4C3H4108.6°109.5°
C4C3H5108.6°109.4°
C3C4H6110.3°109.5°
C3C4H7110.3°109.5°
C8C9C10120.2°120.0°
C9C8H10120.4°120.0°
C8C9H11119.9°120.0°
N2C11C23106.4°106.5°
N2C11N3128.4°133.2°
C11C23C22116.2°119.4°
C23C11N3125.1°120.2°
C23C22C13118.7°117.9°
C23C22CL1123.7°121.0°
C4C5C10120.9°120.0°
C5C4H6110.3°109.4°
C5C4H7110.3°109.5°
C5C10C9120.5°120.0°
C5C10H12119.8°120.0°
C11N3C12116.1°121.9°
C9C10H12119.7°120.0°
C10C9H11119.9°120.0°
C22C13C12119.7°119.2°
C22C13C14124.8°120.4°
C13C22CL1117.7°121.1°
N3C12C13124.0°121.4°
N3C12H13118.0°119.3°
C12C13C14115.6°120.4°
C13C12H13118.0°119.3°
C13C14O1124.5°120.0°
C13C14N4116.2°120.0°
O1C14N4119.1°120.0°
C14N4C15116.1°120.0°
C14N4H14121.9°120.0°
N4C15C16114.3°109.4°
N4C15H15108.2°109.4°
N4C15H16108.3°109.5°
C15N4H14122.0°120.0°
C15C16C17111.2°109.4°
C16C15H15108.2°109.5°
C16C15H16108.3°109.5°
C15C16H17109.1°109.5°
C15C16H18109.0°109.5°
C16C17O2126.7°120.0°
C16C17N5113.5°120.0°
C17C16H17109.0°109.5°
C17C16H18109.0°109.5°
O2C17N5119.8°119.9°
C17N5C18125.5°125.7°
C17N5C21124.2°125.6°
N5C18C19102.4°107.3°
C18N5C21110.3°108.7°
N5C18H19111.2°109.9°
N5C18H20111.2°109.9°
C18C19C20104.2°102.9°
C19C18H19111.2°109.8°
C19C18H20111.2°109.9°
C18C19H21110.8°110.7°
C18C19H22110.8°110.8°
N5C21C20104.2°104.8°
N5C21H26110.8°110.3°
N5C21H25110.8°110.5°
C19C20C21106.5°101.6°
C20C19H21110.8°110.7°
C20C19H22110.8°110.7°
C19C20H23110.2°111.0°
C19C20H24110.2°111.0°
C21C20H23110.2°111.0°
C21C20H24110.2°111.1°
C20C21H26110.8°110.4°
C20C21H25110.8°110.4°
H15C15H16109.4°109.5°
H17C16H18109.5°109.5°
H19C18H20109.5°110.0°
H21C19H22109.5°110.8°
H23C20H24109.5°110.9°
H26C21H25109.4°110.4°
H2C1H3109.5°109.4°
H2C1H1109.5°109.4°
H3C1H1109.4°109.5°
H4C3H5109.5°109.6°
H6C4H7109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2N1C23174.4°180.0°
C1C2N1N2179.5°179.7°
C1C2C23C11176.0°180.0°
C1C2C23C222.3°0.1°
C2C1H2H3120.0°120.0°
C2C1H2H1120.0°120.0°
C2C1H3H1120.0°120.1°
C6C7C8H9180.0°180.0°
C7C6C5H8180.0°179.9°
C6C7C8C92.3°0.3°
C7C6C5C4171.9°179.9°
C7C6C5C102.3°0.0°
C6C7C8H10177.7°180.0°
C8C7C6C51.2°0.0°
C7C8C9H10180.0°179.7°
C7C8C9C100.1°0.6°
C8C7C6H8178.7°180.0°
C7C8C9H11179.9°180.0°
C2N1N2C3179.1°180.0°
C2N1N2C116.2°0.4°
N1C2C23C112.2°0.0°
N1C2C23C22171.4°180.0°
N1C2C1H20.0°90.0°
N1C2C1H3120.0°30.0°
N1C2C1H1120.0°150.1°
N2N1C2C235.1°0.2°
N1N2C3C11173.5°179.5°
N1N2C3C495.1°90.0°
N1N2C11C234.6°0.4°
N1N2C11N3175.3°179.8°
N1N2C3H4144.4°150.0°
N1N2C3H525.5°29.9°
C6C5C4C381.9°90.0°
C6C5C4C10169.3°180.0°
C6C5C10C94.8°0.3°
C6C5C10H12175.2°180.0°
C6C5C4H637.6°150.1°
C6C5C4H7158.6°30.0°
C5C6C7H9178.7°180.0°
C2C23C11N21.4°0.3°
C2C23C11C22175.2°180.0°
C2C23C11N3178.4°179.9°
C2C23C22C13177.3°179.9°
C23C2C1H2173.0°90.0°
C23C2C1H367.0°150.0°
C23C2C1H153.0°30.0°
C2C23C22CL12.9°0.0°
N2C3C4H4120.5°120.0°
N2C3C4H5120.6°120.0°
C3N2C11C23178.7°180.0°
N2C3C4C5172.2°180.0°
C3N2C11N31.2°0.3°
N2C3H4H5118.4°120.1°
N2C3C4H668.3°60.0°
N2C3C4H752.8°60.0°
C4C3N2C1178.5°90.5°
C3C4C5H6119.5°119.9°
C3C4C5H7119.5°120.0°
C3C4C5C1087.4°90.0°
C4C3H4H5118.4°120.0°
C3C4H6H7121.5°120.1°
C8C9C10C53.7°0.6°
C8C9C10H11180.0°179.4°
C8C9C10H12176.3°179.7°
C9C8C7H9177.6°179.7°
N2C11C23N3179.9°179.8°
N2C11C23C22176.7°179.8°
N2C11N3C12178.5°179.7°
C11N2C3H442.1°29.5°
C11N2C3H5161.0°149.6°
C11C23C22C134.1°0.0°
C23C11N3C121.7°0.1°
C11C23C22CL1176.1°180.0°
C22C23C11N33.2°0.0°
C23C22C13CL1179.8°180.0°
C23C22C13C120.7°0.0°
C23C22C13C14179.5°179.9°
C4C5C10C9174.3°179.7°
C4C5C10H125.7°0.0°
C5C4C3H451.7°60.1°
C5C4C3H567.2°60.0°
C5C4H6H7121.5°120.0°
C4C5C6H88.1°0.0°
C5C10C9H12180.0°179.7°
C10C5C4H6153.1°29.9°
C10C5C4H732.1°149.9°
C10C5C6H8177.7°180.0°
C5C10C9H11176.2°180.0°
C11N3C12C135.6°0.1°
C11N3C12H13174.4°180.0°
C10C9C8H10179.9°179.7°
C22C13C12N34.6°0.1°
C22C13C12C14179.8°179.9°
C22C13C14O176.4°0.0°
C22C13C14N4108.0°179.9°
C22C13C12H13175.4°180.0°
N3C12C13H13180.0°180.0°
N3C12C13C14175.2°180.0°
C12C13C14O1103.8°180.0°
C12C13C14N471.8°0.0°
C12C13C22CL1179.5°180.0°
C13C14O1N4175.5°180.0°
C13C14N4C15168.9°180.0°
C14C13C12H134.8°0.0°
C13C14N4H1411.1°0.0°
C14C13C22CL10.2°0.1°
O1C14N4C156.9°0.0°
O1C14N4H14173.1°180.0°
C14N4C15H14180.0°180.0°
C14N4C15C1697.9°180.0°
C14N4C15H1522.8°60.0°
C14N4C15H16141.4°60.0°
N4C15C16H15120.7°119.9°
N4C15C16H16120.7°120.0°
N4C15C16C1772.3°180.0°
N4C15H15H16117.8°120.0°
N4C15C16H1747.9°60.0°
N4C15C16H18167.4°60.0°
C15C16C17H17120.3°120.0°
C15C16C17H18120.3°120.0°
C15C16C17O212.0°0.0°
C15C16C17N5168.7°180.0°
C16C15H15H16117.8°120.0°
C15C16H17H18119.2°120.0°
C16C15N4H1482.1°0.0°
C16C17O2N5179.2°180.0°
C16C17N5C189.1°180.0°
C16C17N5C21170.4°0.1°
C17C16C15H15167.0°60.0°
C17C16C15H1648.4°60.0°
C17C16H17H18119.2°120.0°
O2C17N5C18171.6°0.0°
O2C17N5C218.9°179.9°
O2C17C16H17108.3°120.0°
O2C17C16H18132.3°120.0°
C17N5C18C21179.5°179.9°
C17N5C18C19157.6°178.9°
C17N5C21C20177.9°155.8°
N5C17C16H1771.0°60.0°
N5C17C16H1848.5°60.0°
C17N5C18H1938.8°59.5°
C17N5C18H2083.6°61.7°
C17N5C21H2663.0°85.4°
C17N5C21H2558.7°36.9°
N5C18C19H19118.8°119.4°
N5C18C19H20118.8°119.5°
N5C18C19C2033.7°22.2°
C18N5C21C201.7°24.1°
N5C18H19H20123.3°121.1°
N5C18C19H2185.4°96.2°
N5C18C19H22152.9°140.5°
C18N5C21H26117.5°94.7°
C18N5C21H25120.9°143.0°
C19C18N5C2121.9°1.1°
C18C19C20H21119.2°118.3°
C18C19C20H22119.2°118.4°
C18C19C20C2134.0°35.5°
C19C18H19H20123.3°121.1°
C18C19H21H22122.5°123.3°
C18C19C20H23153.6°153.5°
C18C19C20H2485.5°82.7°
N5C21C20C1920.2°37.0°
N5C21C20H26119.2°118.8°
N5C21C20H25119.2°118.9°
C21N5C18H19140.8°120.4°
C21N5C18H2096.9°118.4°
N5C21C20H23139.7°155.0°
N5C21C20H2499.3°81.1°
N5C21H26H25122.5°122.4°
C19C20C21H23119.6°118.0°
C19C20C21H24119.5°118.1°
C20C19C18H19152.6°97.2°
C20C19C18H2085.1°141.6°
C20C19H21H22122.4°123.2°
C19C20H23H24121.4°123.9°
C19C20C21H26139.4°81.8°
C19C20C21H2599.0°155.9°
C21C20C19H2185.1°82.8°
C21C20C19H22153.2°153.9°
C21C20H23H24121.3°123.9°
C20C21H26H25122.4°122.2°
H12C10C9H113.7°0.3°
H15C15C16H1772.8°59.9°
H15C15C16H1846.7°180.0°
H15C15N4H14157.2°120.0°
H16C15C16H17168.7°180.0°
H16C15C16H1871.9°60.0°
H16C15N4H1438.7°119.9°
H19C18C19H2133.4°144.4°
H19C18C19H2288.3°21.1°
H20C18C19H21155.7°23.3°
H20C18C19H2234.0°100.0°
H21C19C20H2334.4°35.2°
H21C19C20H24155.4°159.0°
H22C19C20H2387.2°88.1°
H22C19C20H2433.7°35.7°
H23C20C21H26101.1°36.2°
H23C20C21H2520.6°86.0°
H24C20C21H2619.8°160.1°
H24C20C21H25141.5°37.8°
H2C1H3H1120.0°120.0°
H4C3C4H6171.2°180.0°
H4C3C4H767.8°60.0°
H5C3C4H652.3°59.9°
H5C3C4H7173.3°180.0°
H8C6C7H91.3°0.0°
H9C7C8H102.4°0.0°
H10C8C9H110.1°0.3°

248335

PDB entries from 2026-01-28

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