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A1B79

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C8C9sing1.51Å1.52Å
C8C7sing1.51Å1.51Å
N1C7doub1.30Å1.33ÅAromatic
N1C4sing1.36Å1.37ÅAromatic
C14C9doub1.38Å1.41ÅAromatic
C14C13sing1.38Å1.41ÅAromatic
C9C10sing1.38Å1.41ÅAromatic
C13C12doub1.39Å1.42ÅAromatic
C7N2sing1.36Å1.36ÅAromatic
C10C11doub1.38Å1.41ÅAromatic
O3N3sing1.22Å1.22Å
C12C11sing1.39Å1.41ÅAromatic
C12O1sing1.36Å1.38Å
C5C4doub1.40Å1.41ÅAromatic
C5C6sing1.37Å1.41ÅAromatic
C4C3sing1.41Å1.42ÅAromatic
O1C15sing1.43Å1.42Å
N3C6sing1.48Å1.47Å
N3O2doub1.22Å1.23Å
N2C3sing1.38Å1.39ÅAromatic
N2C17sing1.46Å1.46Å
C6C1doub1.39Å1.41ÅAromatic
C3C2doub1.39Å1.40ÅAromatic
C15C16sing1.53Å1.53Å
F1C16sing1.40Å1.33Å
C17C18sing1.53Å1.54Å
C1C2sing1.38Å1.41ÅAromatic
C18N4sing1.47Å1.50Å
C21N4sing1.47Å1.49Å
C21C22sing1.53Å1.54Å
N4C19sing1.47Å1.49Å
C19C20sing1.53Å1.53Å
C5H3sing1.08Å1.08Å
C11H7sing1.08Å1.08Å
C8H5sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C10H6sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C13H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
C15H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C16H13sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C17H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C20H22sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
C22H25sing1.09Å1.10Å
C22H27sing1.09Å1.10Å
C22H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C9C8C7115.9°109.5°
C8C9C14121.1°120.0°
C8C9C10119.5°119.9°
C9C8H5107.9°109.5°
C9C8H4107.8°109.4°
C8C7N1120.8°124.9°
C8C7N2123.9°124.9°
C7C8H5107.8°109.4°
C7C8H4107.9°109.4°
C7N1C4103.3°109.6°
N1C7N2115.3°110.1°
N1C4C5130.4°133.6°
N1C4C3110.8°106.9°
C9C14C13120.3°120.1°
C14C9C10119.4°120.1°
C9C14H9119.9°119.9°
C14C13C12120.4°120.0°
C14C13H8119.8°120.0°
C13C14H9119.9°120.0°
C9C10C11120.3°120.1°
C9C10H6119.8°119.9°
C13C12C11118.9°119.9°
C13C12O1124.6°120.1°
C12C13H8119.8°120.0°
C7N2C3105.2°107.3°
C7N2C17130.0°126.4°
C10C11C12120.8°119.9°
C10C11H7119.6°120.1°
C11C10H6119.9°120.0°
O3N3C6118.2°120.0°
O3N3O2123.8°120.0°
C11C12O1116.5°120.0°
C12C11H7119.6°120.0°
C12O1C15118.5°117.0°
C4C5C6120.9°119.9°
C5C4C3118.8°119.5°
C4C5H3119.6°120.0°
C5C6N3120.5°119.7°
C5C6C1119.2°120.6°
C6C5H3119.6°120.1°
C4C3N2105.3°106.0°
C4C3C2121.2°119.8°
O1C15C16109.0°109.5°
O1C15H10109.6°109.5°
O1C15H11109.6°109.5°
C6N3O2118.0°120.1°
N3C6C1120.3°119.7°
C3N2C17124.7°126.4°
N2C3C2133.5°134.1°
N2C17C18111.6°109.5°
N2C17H14108.9°109.5°
N2C17H15108.9°109.5°
C6C1C2120.9°120.5°
C6C1H1119.6°119.8°
C3C2C1119.1°119.7°
C3C2H2120.4°120.1°
C15C16F1110.1°109.5°
C16C15H10109.6°109.5°
C16C15H11109.6°109.4°
C15C16H13109.3°109.5°
C15C16H12109.3°109.5°
F1C16H13109.3°109.5°
F1C16H12109.3°109.5°
C17C18N4115.8°109.5°
C18C17H14108.9°109.5°
C18C17H15108.9°109.5°
C17C18H16107.9°109.5°
C17C18H17107.9°109.4°
C2C1H1119.6°119.8°
C1C2H2120.4°120.2°
C18N4C21115.9°111.0°
C18N4C19110.9°111.0°
N4C18H16107.8°109.5°
N4C18H17107.9°109.5°
N4C21C22112.9°109.4°
C21N4C19112.9°111.0°
N4C21H23108.6°109.5°
N4C21H24108.6°109.5°
C22C21H23108.6°109.4°
C22C21H24108.6°109.5°
C21C22H25109.5°109.5°
C21C22H27109.5°109.5°
C21C22H26109.5°109.5°
N4C19C20113.2°109.4°
N4C19H19108.5°109.5°
N4C19H18108.5°109.5°
C20C19H19108.5°109.5°
C20C19H18108.5°109.4°
C19C20H22109.5°109.5°
C19C20H20109.5°109.5°
C19C20H21109.5°109.5°
H5C8H4109.5°109.5°
H10C15H11109.5°109.4°
H13C16H12109.4°109.5°
H14C17H15109.5°109.4°
H16C18H17109.5°109.5°
H19C19H18109.5°109.5°
H22C20H20109.5°109.4°
H22C20H21109.4°109.5°
H20C20H21109.5°109.5°
H23C21H24109.5°109.5°
H25C22H27109.4°109.4°
H25C22H26109.5°109.5°
H27C22H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C9C8C7H5120.9°120.1°
C9C8C7H4120.9°119.9°
C9C8C7N1125.8°89.6°
C8C9C14C10179.7°180.0°
C8C9C14C13180.0°179.8°
C9C8C7N254.7°89.9°
C8C9C10C11179.9°180.0°
C9C8H5H4117.1°120.0°
C8C9C10H60.1°0.0°
C8C9C14H90.0°0.0°
C8C7N1N2179.6°179.6°
C8C7N1C4179.7°179.8°
C7C8C9C1453.6°90.0°
C7C8C9C10126.7°90.0°
C8C7N2C3179.7°180.0°
C8C7N2C170.4°0.5°
C7C8H5H4117.1°120.0°
C7N1C4C5179.9°179.7°
C7N1C4C30.1°0.0°
N1C7N2C30.2°0.4°
N1C7N2C17179.9°180.0°
N1C7C8H5113.3°30.5°
N1C7C8H44.8°150.5°
C4N1C7N20.1°0.3°
N1C4C5C3180.0°179.6°
N1C4C5C6180.0°179.7°
N1C4C3N20.0°0.3°
N1C4C3C2180.0°179.7°
N1C4C5H30.0°0.3°
C9C14C13H9180.0°179.8°
C9C14C13C120.1°0.2°
C14C9C10C110.2°0.0°
C14C9C8H5174.6°150.0°
C14C9C8H467.3°29.9°
C14C9C10H6179.8°180.0°
C9C14C13H8179.9°179.7°
C13C14C9C100.3°0.2°
C14C13C12H8180.0°179.9°
C14C13C12C110.1°0.1°
C14C13C12O1179.8°180.0°
C9C10C11H6180.0°180.0°
C9C10C11C120.0°0.3°
C9C10C11H7180.0°180.0°
C10C9C8H55.7°30.0°
C10C9C8H4112.4°150.0°
C10C9C14H9179.7°179.9°
C13C12C11C100.1°0.4°
C13C12C11O1179.7°179.9°
C13C12O1C15110.0°0.1°
C13C12C11H7179.8°180.0°
C12C13C14H9179.9°180.0°
C7N2C3C40.1°0.4°
C7N2C3C17179.9°179.5°
C7N2C3C2179.9°179.6°
C7N2C17C18102.2°90.0°
N2C7C8H566.2°150.0°
N2C7C8H4175.6°30.0°
C7N2C17H1418.2°30.1°
C7N2C17H15137.5°150.0°
C10C11C12H7180.0°179.7°
C10C11C12O1179.9°179.7°
O3N3C6C53.6°180.0°
O3N3C6O2179.7°180.0°
O3N3C6C1176.6°0.0°
C11C12O1C1570.2°180.0°
C12C11C10H6180.0°179.7°
C11C12C13H8179.9°180.0°
C12O1C15C16115.9°180.0°
O1C12C11H70.1°0.1°
O1C12C13H80.2°0.1°
C12O1C15H10124.1°59.9°
C12O1C15H114.0°60.0°
C4C5C6H3180.0°180.0°
C4C5C6N3179.8°180.0°
C5C4C3N2180.0°180.0°
C4C5C6C10.0°0.0°
C5C4C3C20.0°0.0°
C6C5C4C30.0°0.0°
C5C6N3C1179.8°180.0°
C5C6N3O2176.2°0.0°
C5C6C1C20.0°0.0°
C5C6C1H1180.0°180.0°
C4C3N2C2180.0°180.0°
C4C3N2C17180.0°180.0°
C4C3C2C10.0°0.0°
C3C4C5H3180.0°180.0°
C4C3C2H2179.9°180.0°
O1C15C16H10119.9°120.1°
O1C15C16H11119.9°120.0°
O1C15C16F178.2°65.0°
O1C15H10H11120.2°119.9°
O1C15C16H13161.7°175.0°
O1C15C16H1241.9°55.0°
N3C6C1C2179.8°180.0°
N3C6C5H30.2°0.0°
N3C6C1H10.2°0.0°
O2N3C6C13.7°180.0°
C3N2C17C1877.7°89.5°
N2C3C2C1180.0°180.0°
N2C3C2H20.0°0.1°
C3N2C17H14162.0°150.4°
C3N2C17H1542.6°30.5°
C17N2C3C20.0°0.0°
N2C17C18H14120.3°120.0°
N2C17C18H15120.3°120.0°
N2C17C18N4177.7°180.0°
N2C17H14H15119.0°119.9°
N2C17C18H1661.4°60.0°
N2C17C18H1756.7°60.0°
C6C1C2C30.0°0.0°
C6C1C2H1180.0°180.0°
C1C6C5H3180.0°179.9°
C6C1C2H2179.9°179.9°
C3C2C1H2180.0°179.9°
C3C2C1H1180.0°180.0°
C15C16F1H13120.1°120.0°
C15C16F1H12120.1°120.0°
C16C15H10H11120.2°120.0°
C15C16H13H12119.7°120.0°
F1C16C15H1041.7°55.1°
F1C16C15H11161.9°175.0°
F1C16H13H12119.7°120.0°
C17C18N4H16120.9°120.0°
C17C18N4H17120.9°119.9°
C17C18N4C2129.9°170.0°
C17C18N4C19160.4°66.1°
C18C17H14H15119.0°120.0°
C17C18H16H17117.1°120.0°
C18N4C21C19129.5°123.9°
C18N4C21C22168.1°75.7°
C18N4C19C2083.6°164.1°
N4C18C17H1457.3°60.0°
N4C18C17H1562.0°60.0°
N4C18H16H17117.1°120.0°
C18N4C19H1936.9°75.8°
C18N4C19H18155.8°44.2°
C18N4C21H2371.4°44.3°
C18N4C21H2447.6°164.3°
N4C21C22H23120.5°120.0°
N4C21C22H24120.5°120.0°
C21N4C19C20144.3°72.0°
C21N4C18H16150.9°70.0°
C21N4C18H1791.0°50.1°
C21N4C19H1995.2°48.1°
C21N4C19H1823.7°168.1°
N4C21H23H24118.5°120.0°
N4C21C22H25180.0°174.8°
N4C21C22H2760.0°65.2°
N4C21C22H2660.0°54.9°
C22C21N4C1962.4°160.5°
C22C21H23H24118.4°120.0°
C21C22H25H27120.0°120.0°
C21C22H25H26120.0°120.0°
C21C22H27H26120.0°120.0°
N4C19C20H19120.5°120.1°
N4C19C20H18120.5°120.0°
C19N4C18H1678.6°53.9°
C19N4C18H1739.5°173.9°
N4C19H19H18118.3°120.0°
N4C19C20H22180.0°174.7°
N4C19C20H2060.0°65.3°
N4C19C20H2160.0°54.7°
C19N4C21H2358.2°79.6°
C19N4C21H24177.2°40.4°
C20C19H19H18118.3°120.0°
C19C20H22H20120.0°120.0°
C19C20H22H21120.0°120.1°
C19C20H20H21120.0°120.1°
H7C11C10H60.0°0.1°
H1C1C2H20.0°0.1°
H8C13C14H90.1°0.1°
H10C15C16H1378.4°64.9°
H10C15C16H12161.9°175.0°
H11C15C16H1341.8°55.0°
H11C15C16H1278.0°65.0°
H14C17C18H16178.2°60.0°
H14C17C18H1763.6°180.0°
H15C17C18H1658.9°180.0°
H15C17C18H17177.1°60.0°
H19C19C20H2259.5°65.2°
H19C19C20H20179.5°54.8°
H19C19C20H2160.5°174.8°
H18C19C20H2259.5°54.8°
H18C19C20H2060.6°174.7°
H18C19C20H21179.4°65.2°
H22C20H20H21119.9°120.0°
H23C21C22H2559.5°65.2°
H23C21C22H27179.5°54.8°
H23C21C22H2660.5°174.9°
H24C21C22H2559.4°54.9°
H24C21C22H2760.5°174.8°
H24C21C22H26179.5°65.1°
H25C22H27H26120.0°120.0°

251422

PDB entries from 2026-04-01

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