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615

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C7C8doub1.39Å1.41ÅAromatic
C7O3sing1.36Å1.36Å
C7C6sing1.39Å1.42ÅAromatic
C27C28doub1.38Å1.41ÅAromatic
C27C26sing1.38Å1.41ÅAromatic
C17C16doub1.36Å1.40ÅAromatic
C17C18sing1.39Å1.40ÅAromatic
C1O1doub1.21Å1.24Å
C1C22sing1.51Å1.51Å
C1N3sing1.35Å1.34Å
C8C9sing1.38Å1.42ÅAromatic
N2C3sing1.35Å1.34Å
N2O4sing1.42Å1.42Å
O2C3doub1.21Å1.23Å
C3C21sing1.51Å1.48Å
C28C20sing1.39Å1.41ÅAromatic
C26C25doub1.38Å1.42ÅAromatic
N1C12doub1.32Å1.35ÅAromatic
N1C14sing1.34Å1.35ÅAromatic
C2C4sing1.51Å1.53Å
C2C22sing1.53Å1.54Å
O3C10sing1.43Å1.40Å
C4C5sing1.38Å1.42ÅAromatic
C4C9doub1.38Å1.40ÅAromatic
C5C6doub1.38Å1.41ÅAromatic
C10C11sing1.51Å1.50Å
C11C13doub1.36Å1.39ÅAromatic
C11C15sing1.41Å1.42ÅAromatic
C12C13sing1.40Å1.40ÅAromatic
C12C20sing1.48Å1.47ÅAromatic
C14C15doub1.42Å1.42ÅAromatic
C14C19sing1.41Å1.40ÅAromatic
C15C16sing1.40Å1.43ÅAromatic
C18C19doub1.36Å1.41ÅAromatic
C20C24doub1.39Å1.42ÅAromatic
C21C22sing1.53Å1.54Å
C21C23sing1.53Å1.43Å
C22C23sing1.53Å1.55Å
C24C25sing1.38Å1.41ÅAromatic
C27H27sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
N2HN2sing0.97Å1.00Å
C28H28sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C13H13sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C21H21sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
O4HO4sing0.97Å0.95Å
N3HN3sing0.97Å1.00Å
N3HN3Asing0.97Å1.00Å
C24H24sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8C7O3116.3°120.1°
C8C7C6119.3°119.9°
C7C8C9120.9°119.9°
C7C8H8119.5°120.1°
O3C7C6124.1°120.0°
C7O3C10129.1°117.0°
C7C6C5119.5°119.9°
C7C6H6120.3°120.1°
C28C27C26119.4°120.1°
C27C28C20121.5°119.9°
C28C27H27120.3°119.9°
C27C28H28119.2°120.1°
C27C26C25119.6°120.2°
C26C27H27120.3°119.9°
C27C26H26120.2°119.9°
C16C17C18119.3°120.9°
C17C16C15121.1°119.6°
C16C17H17120.3°119.5°
C17C16H16119.4°120.2°
C17C18C19120.0°121.0°
C18C17H17120.4°119.6°
C17C18H18120.0°119.4°
O1C1C22121.4°120.0°
O1C1N3122.7°120.0°
C22C1N3115.7°120.0°
C1C22C2109.1°115.5°
C1C22C21121.2°117.5°
C1C22C23100.0°117.5°
C1N3HN3110.0°120.0°
C1N3HN3A125.0°120.0°
C8C9C4119.4°120.1°
C9C8H8119.5°120.0°
C8C9H9120.3°120.0°
C3N2O4111.5°120.0°
N2C3O2120.9°120.0°
N2C3C21119.4°120.0°
C3N2HN2124.2°120.0°
O4N2HN2124.2°120.0°
N2O4HO4109.5°114.1°
O2C3C21119.6°120.0°
C3C21C22113.7°117.5°
C3C21C23152.1°117.5°
C3C21H2175.7°115.5°
C28C20C12119.8°120.1°
C28C20C24118.6°119.7°
C20C28H28119.2°120.1°
C26C25C24120.4°120.1°
C25C26H26120.2°119.9°
C26C25H25119.8°119.9°
C12N1C14119.7°121.2°
N1C12C13121.8°121.5°
N1C12C20117.5°119.2°
N1C14C15122.1°120.0°
N1C14C19119.4°120.9°
C4C2C22111.1°109.5°
C2C4C5119.4°119.9°
C2C4C9120.8°120.0°
C4C2H2108.9°109.5°
C4C2H2A108.6°109.5°
C2C22C21129.5°117.5°
C2C22C23122.2°117.5°
C22C2H2108.9°109.4°
C22C2H2A108.6°109.4°
O3C10C11117.3°109.5°
O3C10H10106.9°109.5°
O3C10H10A105.2°109.5°
C5C4C9119.8°120.1°
C4C5C6120.9°120.0°
C4C5H5119.5°120.0°
C4C9H9120.3°120.0°
C6C5H5119.5°120.0°
C5C6H6120.2°120.0°
C10C11C13115.2°120.8°
C10C11C15125.9°120.8°
C11C10H10107.0°109.5°
C11C10H10A105.1°109.4°
C13C11C15118.8°118.3°
C11C13C12119.9°119.8°
C11C13H13120.1°120.1°
C11C15C14117.7°119.2°
C11C15C16123.0°121.3°
C13C12C20120.6°119.3°
C12C13H13120.1°120.1°
C12C20C24121.5°120.1°
C15C14C19118.5°119.1°
C14C15C16119.3°119.6°
C14C19C18121.8°119.8°
C14C19H19119.1°120.2°
C15C16H16119.5°120.1°
C19C18H18120.0°119.5°
C18C19H19119.1°120.1°
C20C24C25120.5°119.9°
C20C24H24119.8°120.1°
C22C21C2362.9°60.0°
C21C22C2354.8°60.0°
C22C21H21155.5°117.5°
C21C23C2262.3°60.0°
C23C21H21119.7°117.6°
C21C23H23129.6°117.4°
C21C23H23A134.8°117.5°
C22C23H23129.6°117.5°
C22C23H23A134.8°117.6°
C25C24H24119.8°120.0°
C24C25H25119.8°120.0°
H2C2H2A110.7°109.5°
H10C10H10A115.8°109.5°
H23C23H23A76.5°115.6°
HN3N3HN3A125.0°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8C7O3C6173.7°179.8°
C7C8C9H8180.0°179.9°
C8C7O3C1010.7°180.0°
C7C8C9C40.7°0.1°
C8C7C6C54.4°0.0°
C8C7C6H6175.6°180.0°
C7C8C9H9179.2°180.0°
O3C7C8C9176.8°180.0°
O3C7C6C5177.9°179.8°
C7O3C10C1157.3°180.0°
O3C7C8H83.2°0.1°
O3C7C6H62.1°0.2°
C7O3C10H1062.7°60.0°
C7O3C10H10A173.6°60.0°
C6C7C8C92.8°0.2°
C6C7O3C10175.6°0.2°
C7C6C5C42.5°0.5°
C7C6C5H6180.0°180.0°
C6C7C8H8177.1°179.7°
C7C6C5H5177.5°179.4°
C28C27C26H27180.0°179.7°
C27C28C20H28180.0°180.0°
C28C27C26C250.8°0.0°
C27C28C20C12179.9°180.0°
C27C28C20C240.7°0.0°
C28C27C26H26179.2°180.0°
C26C27C28C201.0°0.0°
C27C26C25H26180.0°180.0°
C27C26C25C240.4°0.0°
C26C27C28H28179.1°180.0°
C27C26C25H25179.6°180.0°
C16C17C18H17180.0°179.8°
C17C16C15C11179.9°180.0°
C17C16C15C140.2°0.0°
C17C16C15H16180.0°180.0°
C16C17C18C190.3°0.0°
C16C17C18H18179.7°180.0°
C17C18C19C140.4°0.1°
C18C17C16C150.2°0.0°
C17C18C19H18180.0°180.0°
C18C17C16H16179.8°180.0°
C17C18C19H19179.6°180.0°
O1C1C22N3176.0°180.0°
O1C1C22C2144.2°119.2°
O1C1C22C2131.8°95.1°
O1C1C22C2386.5°26.5°
O1C1N3HN32.3°4.9°
O1C1N3HN3A177.6°175.1°
C1C22C21C3131.2°145.0°
C1C22C2C474.3°53.5°
C1C22C2C21175.6°145.7°
C1C22C2C23115.7°145.7°
C1C22C21C2379.6°107.5°
C1C22C2H2165.7°66.5°
C1C22C2H2A45.0°173.5°
C1C22C21H2122.8°0.1°
C1C22C23H231.4°0.1°
C1C22C23H23A111.8°145.0°
C22C1N3HN3178.3°175.1°
C22C1N3HN3A1.7°4.9°
N3C1C22C231.7°60.8°
N3C1C22C21152.3°84.8°
N3C1C22C2397.5°153.5°
C1N3HN3HN3A180.0°179.9°
C8C9C4C2178.6°179.8°
C8C9C4C52.7°0.5°
C8C9C4H9180.0°179.9°
C3N2O4HN2180.0°180.0°
N2C3O2C21179.3°179.9°
N2C3C21C22108.6°180.0°
N2C3C21C23175.0°111.4°
N2C3C21H2147.4°34.4°
C3N2O4HO454.3°180.0°
O4N2C3O22.4°0.0°
O4N2C3C21178.3°179.9°
O2C3C21C2270.7°0.1°
O2C3C21C235.7°68.5°
O2C3N2HN2177.6°180.0°
O2C3C21H21133.2°145.7°
C3C21C22C243.9°0.0°
C3C21C22C23149.2°107.5°
C3C21C22H21108.3°144.9°
C3C21C23H21117.8°145.1°
C21C3N2HN21.7°0.0°
C3C21C23H23150.1°145.0°
C3C21C23H23A37.0°0.1°
C28C20C12N1178.9°0.0°
C28C20C12C130.4°180.0°
C28C20C12C24179.2°180.0°
C28C20C24C250.3°0.1°
C20C28C27H27179.0°179.7°
C28C20C24H24179.7°180.0°
C26C25C24C200.1°0.1°
C26C25C24H25180.0°179.9°
C25C26C27H27179.2°179.7°
C26C25C24H24179.9°180.0°
N1C12C13C110.1°0.1°
N1C12C13C20179.2°179.9°
C12N1C14C150.6°0.0°
C12N1C14C19179.6°179.9°
N1C12C20C240.3°180.0°
N1C12C13H13179.9°180.0°
N1C14C15C111.0°0.0°
C14N1C12C130.0°0.1°
C14N1C12C20179.2°180.0°
N1C14C15C19179.1°179.9°
N1C14C15C16178.7°180.0°
N1C14C19C18178.6°180.0°
N1C14C19H191.3°0.1°
C4C2C22H2120.0°120.0°
C4C2C22H2A119.3°120.0°
C2C4C5C9178.7°179.2°
C2C4C5C6179.8°180.0°
C4C2C22C21101.3°160.8°
C4C2C22C23170.0°92.2°
C4C2H2H2A119.3°120.1°
C2C4C5H50.2°0.1°
C2C4C9H91.4°0.3°
C22C2C4C51.2°88.9°
C22C2C4C9179.9°90.4°
C2C22C21C23105.3°107.5°
C22C2H2H2A119.3°120.0°
C2C22C21H21152.3°144.9°
C2C22C23H23121.6°145.1°
C2C22C23H23A8.4°0.0°
O3C10C11H10120.0°120.0°
O3C10C11H10A116.4°120.0°
O3C10C11C1341.2°0.0°
O3C10C11C15143.5°179.9°
O3C10H10H10A116.8°120.0°
C4C5C6H5180.0°179.9°
C5C4C2H2118.8°151.1°
C5C4C2H2A120.5°31.1°
C4C5C6H6177.5°179.5°
C5C4C9H9177.3°179.5°
C9C4C5C61.1°0.7°
C4C9C8H8179.3°179.9°
C9C4C2H259.9°29.6°
C9C4C2H2A60.7°149.7°
C9C4C5H5178.9°179.2°
C10C11C13C15175.7°179.9°
C10C11C13C12176.0°180.0°
C10C11C15C14176.0°180.0°
C10C11C15C163.7°0.1°
C11C10H10H10A116.8°119.9°
C10C11C13H134.0°0.1°
C11C13C12H13180.0°179.9°
C11C13C12C20179.3°180.0°
C13C11C15C140.8°0.0°
C13C11C15C16178.9°180.0°
C13C11C10H10161.2°120.0°
C13C11C10H10A75.2°120.0°
C15C11C13C120.3°0.1°
C11C15C14C16179.7°179.9°
C11C15C14C19180.0°179.9°
C15C11C10H1023.5°59.9°
C15C11C10H10A100.1°60.1°
C15C11C13H13179.7°180.0°
C11C15C16H160.1°0.0°
C13C12C20C24179.5°0.1°
C12C20C24C25179.4°180.0°
C12C20C28H280.2°0.0°
C20C12C13H130.7°0.1°
C12C20C24H240.6°0.0°
C15C14C19C180.4°0.1°
C14C15C16H16179.8°180.0°
C15C14C19H19179.6°180.0°
C19C14C15C160.3°0.0°
C14C19C18H19180.0°179.9°
C14C19C18H18179.5°180.0°
C15C16C17H17179.8°179.7°
C19C18C17H17179.7°179.8°
C20C24C25H24180.0°180.0°
C24C20C28H28179.3°179.9°
C20C24C25H25179.9°180.0°
C22C21C23H21152.3°107.4°
C21C22C2H218.7°79.2°
C21C22C2H2A139.4°40.8°
C22C21C23H23120.0°107.5°
C22C21C23H23A126.9°107.5°
C21C23H23H23A137.8°145.6°
C23C22C2H250.0°147.8°
C23C22C2H2A70.7°27.8°
C22C23H23H23A137.8°145.8°
C24C25C26H26179.6°180.0°
H27C27C28H281.0°0.3°
H27C27C26H260.8°0.2°
H17C17C16H160.2°0.3°
H17C17C18H180.3°0.3°
H8C8C9H90.7°0.1°
HN2N2O4HO4125.7°0.0°
H26C26C25H250.4°0.1°
H5C5C6H62.5°0.6°
H18C18C19H190.4°0.0°
H21C21C23H2332.3°0.0°
H21C21C23H23A80.9°145.0°
H24C24C25H250.1°0.0°

222415

PDB entries from 2024-07-10

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