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S82

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.35Å1.37Å
N1C14sing1.47Å1.44Å
N1C18sing1.47Å1.44Å
C2N3sing1.35Å1.37Å
C2O13doub1.22Å1.22Å
N3C4sing1.47Å1.42Å
C4C5sing1.53Å1.50Å
C4C6sing1.53Å1.49Å
C5C6sing1.53Å1.50Å
C5C7sing1.51Å1.47Å
C7C8doub1.38Å1.38ÅAromatic
C7C12sing1.38Å1.38ÅAromatic
C8C9sing1.38Å1.38ÅAromatic
C9C10doub1.38Å1.38ÅAromatic
C10C11sing1.38Å1.38ÅAromatic
C11C12doub1.38Å1.38ÅAromatic
C14C15sing1.53Å1.51Å
C15C16sing1.53Å1.51Å
C16C17sing1.53Å1.52Å
C16C19sing1.51Å1.48Å
C17C18sing1.54Å1.51Å
C19N20doub1.31Å1.31ÅAromatic
C19O23sing1.34Å1.36ÅAromatic
N20C21sing1.34Å1.37ÅAromatic
C21N22doub1.30Å1.34ÅAromatic
C21C24sing1.51Å1.48Å
N22O23sing1.21Å1.39ÅAromatic
C24C25sing1.53Å1.51Å
C24C26sing1.53Å1.51Å
N3HN3sing0.97Å1.00Å
C4H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C25H25Bsing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C14117.7°120.6°
C2N1C18122.6°120.6°
N1C2N3115.5°120.0°
N1C2O13122.3°120.0°
C14N1C18116.7°118.7°
N1C14C15109.4°108.8°
N1C14H14109.5°109.6°
N1C14H14A109.5°109.6°
N1C18C17112.5°108.5°
N1C18H18108.5°109.6°
N1C18H18A108.5°109.6°
N3C2O13122.3°120.0°
C2N3C4118.9°120.0°
C2N3HN3120.5°120.0°
N3C4C5121.3°117.5°
N3C4C6122.4°117.5°
C4N3HN3120.6°120.0°
N3C4H487.6°115.6°
C5C4C660.0°60.0°
C4C5C659.9°60.0°
C4C5C7123.1°117.5°
C5C4H4135.5°117.5°
C4C5H5134.2°117.5°
C4C6C560.1°60.0°
C6C4H4134.6°117.5°
C4C6H6130.8°117.5°
C4C6H6A130.8°117.5°
C6C5C7121.0°117.6°
C6C5H5136.0°117.5°
C5C6H6130.8°117.5°
C5C6H6A130.8°117.5°
C5C7C8122.9°120.0°
C5C7C12120.0°119.9°
C7C5H587.4°115.5°
C8C7C12117.1°120.0°
C7C8C9122.1°120.0°
C7C8H8119.0°119.9°
C7C12C11121.7°120.0°
C7C12H12119.2°120.0°
C8C9C10119.8°120.1°
C9C8H8118.9°120.1°
C8C9H9120.1°119.9°
C9C10C11119.0°120.0°
C10C9H9120.1°120.0°
C9C10H10120.5°120.0°
C10C11C12120.3°120.0°
C11C10H10120.5°120.0°
C10C11H11119.9°120.0°
C12C11H11119.8°120.0°
C11C12H12119.2°120.0°
C14C15C16109.0°109.3°
C15C14H14109.5°109.6°
C15C14H14A109.5°109.6°
C14C15H15109.6°109.5°
C14C15H15A109.6°109.5°
C15C16C17112.6°109.5°
C15C16C19111.7°109.5°
C16C15H15109.7°109.5°
C16C15H15A109.6°109.5°
C15C16H16106.9°109.4°
C17C16C19112.8°109.5°
C16C17C18113.0°109.2°
C17C16H16105.6°109.5°
C16C17H17108.3°109.5°
C16C17H17A108.3°109.4°
C16C19N20129.1°126.5°
C16C19O23117.2°126.6°
C19C16H16106.6°109.5°
C18C17H17108.3°109.7°
C18C17H17A108.3°109.4°
C17C18H18108.5°109.8°
C17C18H18A108.5°109.6°
N20C19O23113.8°106.9°
C19N20C21101.7°105.7°
C19O23N22106.4°109.8°
N20C21N22115.0°107.4°
N20C21C24121.7°126.4°
N22C21C24123.3°126.3°
C21N22O23103.2°110.3°
C21C24C25112.0°109.5°
C21C24C26113.0°109.5°
C21C24H24105.8°109.4°
C25C24C26111.3°109.5°
C25C24H24107.7°109.5°
C24C25H25109.5°109.5°
C24C25H25A109.5°109.5°
C24C25H25B109.4°109.5°
C26C24H24106.6°109.5°
C24C26H26109.5°109.5°
C24C26H26A109.5°109.5°
C24C26H26B109.4°109.5°
H6C6H6A82.0°115.5°
H14C14H14A109.4°109.7°
H15C15H15A109.3°109.5°
H17C17H17A110.6°109.5°
H18C18H18A110.4°109.7°
H25C25H25A109.4°109.5°
H25C25H25B109.5°109.5°
H25AC25H25B109.5°109.5°
H26C26H26A109.4°109.4°
H26C26H26B109.5°109.5°
H26AC26H26B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C14C18161.1°179.8°
N1C2N3O13179.2°179.9°
N1C2N3C4145.8°174.9°
C2N1C14C15102.3°126.4°
C2N1C18C17110.2°126.3°
N1C2N3HN334.2°5.1°
C2N1C14H14137.7°6.6°
C2N1C14H14A17.7°113.8°
C2N1C18H189.8°113.8°
C2N1C18H18A129.8°6.7°
C14N1C2N3167.9°174.9°
C14N1C2O1311.3°5.1°
N1C14C15H14120.0°119.8°
N1C14C15H14A120.0°119.8°
N1C14C15C1659.2°54.6°
C14N1C18C1749.8°53.9°
N1C14H14H14A120.0°120.3°
N1C14C15H15179.2°65.3°
N1C14C15H15A60.8°174.6°
C14N1C18H18169.8°66.0°
C14N1C18H18A70.2°173.6°
C18N1C2N332.3°5.4°
C18N1C2O13148.5°174.7°
C18N1C14C1558.7°53.8°
N1C18C17C1642.2°54.9°
N1C18C17H18120.0°119.8°
N1C18C17H18A120.0°119.6°
C18N1C14H1461.3°173.6°
C18N1C14H14A178.7°66.0°
N1C18C17H17162.2°65.1°
N1C18C17H17A77.8°174.7°
N1C18H18H18A118.8°120.3°
C2N3C4HN3180.0°179.9°
C2N3C4C5104.5°155.0°
C2N3C4C6176.6°136.4°
C2N3C4H439.7°9.3°
O13C2N3C433.4°5.0°
O13C2N3HN3146.6°174.9°
N3C4C5C6111.9°107.5°
N3C4C5H4123.5°145.0°
N3C4C6H4123.8°145.0°
N3C4C5C7138.6°145.0°
N3C4C5H514.7°0.0°
N3C4C6H6129.9°145.1°
N3C4C6H6A9.8°0.0°
C5C4C6H4126.0°107.5°
C4C5C6C7112.8°107.5°
C4C5C6H5124.0°107.5°
C4C5C7H5143.5°145.7°
C4C5C7C89.3°120.0°
C4C5C7C12171.2°59.7°
C5C4N3HN375.5°25.0°
C5C4C6H6120.0°107.5°
C5C4C6H6A120.0°107.5°
C6C4N3HN33.4°43.6°
C4C6H6H6A138.6°145.8°
C6C5C7H5144.4°145.7°
C6C5C7C881.4°171.4°
C6C5C7C1299.1°8.9°
C5C6H6H6A138.5°145.6°
C5C7C8C12179.5°179.7°
C5C7C8C9179.7°180.0°
C5C7C12C11179.5°179.8°
C7C5C4H415.2°0.0°
C7C5C6H67.2°0.1°
C7C5C6H6A127.2°145.0°
C5C7C8H80.3°0.0°
C5C7C12H120.5°0.0°
C7C8C9H8180.0°180.0°
C7C8C9C100.2°0.0°
C8C7C12C110.0°0.5°
C8C7C5H5134.2°25.7°
C7C8C9H9179.9°179.9°
C8C7C12H12180.0°179.8°
C12C7C8C90.2°0.3°
C7C12C11C100.3°0.5°
C7C12C11H12180.0°179.7°
C12C7C5H545.3°154.6°
C12C7C8H8179.8°179.8°
C7C12C11H11179.8°179.7°
C8C9C10H9180.0°180.0°
C8C9C10C110.1°0.0°
C8C9C10H10180.0°180.0°
C9C10C11H10180.0°180.0°
C9C10C11C120.3°0.2°
C10C9C8H8179.8°180.0°
C9C10C11H11179.7°180.0°
C10C11C12H11180.0°179.8°
C11C10C9H9179.9°180.0°
C10C11C12H12179.7°179.8°
C12C11C10H10179.7°179.8°
C14C15C16H15120.0°119.9°
C14C15C16H15A120.0°120.0°
C14C15C16C1755.2°61.4°
C14C15C16C1973.0°178.6°
C15C14H14H14A120.1°120.3°
C14C15H15H15A120.2°120.1°
C14C15C16H16170.8°58.6°
C15C16C17C19127.6°120.0°
C15C16C17H16116.3°120.0°
C15C16C19H16116.4°120.0°
C15C16C17C1847.0°61.5°
C15C16C19N2031.8°120.0°
C15C16C19O23148.6°60.3°
C16C15C14H1460.8°174.4°
C16C15C14H14A179.2°65.2°
C16C15H15H15A120.2°120.0°
C15C16C17H17167.0°58.6°
C15C16C17H17A73.0°178.7°
C17C16C19H16115.5°120.0°
C16C17C18H17120.0°120.0°
C16C17C18H17A120.0°119.8°
C17C16C19N20159.8°119.9°
C17C16C19O2320.6°59.7°
C17C16C15H15175.2°58.6°
C17C16C15H15A64.8°178.6°
C16C17H17H17A118.5°120.0°
C16C17C18H18162.2°64.9°
C16C17C18H18A77.8°174.6°
C19C16C17C1880.6°178.5°
C16C19N20O23179.6°179.7°
C16C19N20C21179.8°180.0°
C16C19O23N22179.9°179.8°
C19C16C15H1547.0°61.4°
C19C16C15H15A167.0°58.6°
C19C16C17H1739.4°61.4°
C19C16C17H17A159.4°58.7°
C18C17C16H16163.3°58.4°
C18C17H17H17A118.6°120.1°
C17C18H18H18A118.8°120.5°
C19N20C21N220.1°0.0°
C19N20C21C24180.0°180.0°
N20C19O23N220.2°0.5°
N20C19C16H1684.6°0.1°
O23C19N20C210.2°0.3°
C19O23N22C210.1°0.5°
O23C19C16H1695.0°179.7°
N20C21N22C24179.9°180.0°
N20C21N22O230.0°0.3°
N20C21C24C2593.0°120.0°
N20C21C24C26140.3°120.0°
N20C21C24H2424.0°0.0°
N22C21C24C2587.1°60.0°
N22C21C24C2639.6°60.0°
N22C21C24H24155.9°180.0°
C24C21N22O23179.9°179.7°
C21C24C25C26127.6°120.0°
C21C24C25H24115.9°120.0°
C21C24C26H24115.8°120.0°
C21C24C25H25180.0°180.0°
C21C24C25H25A60.0°60.0°
C21C24C25H25B60.0°60.0°
C21C24C26H26180.0°60.0°
C21C24C26H26A60.0°180.0°
C21C24C26H26B60.0°60.0°
C25C24C26H24117.1°120.0°
C24C25H25H25A120.0°120.0°
C24C25H25H25B120.0°120.0°
C24C25H25AH25B120.0°120.0°
C25C24C26H2653.0°180.0°
C25C24C26H26A172.9°60.0°
C25C24C26H26B67.0°60.0°
C26C24C25H2552.4°60.0°
C26C24C25H25A67.6°180.0°
C26C24C25H25B172.4°60.0°
C24C26H26H26A120.0°120.0°
C24C26H26H26B120.0°120.0°
C24C26H26AH26B120.0°120.0°
HN3N3C4H4140.3°170.6°
H4C4C5H5108.8°145.0°
H4C4C6H66.0°0.0°
H4C4C6H6A114.1°145.1°
H5C5C6H6116.0°145.0°
H5C5C6H6A4.0°0.0°
H8C8C9H90.1°0.0°
H9C9C10H100.1°0.0°
H10C10C11H110.2°0.1°
H11C11C12H120.3°0.0°
H14C14C15H1559.2°54.5°
H14C14C15H15A179.2°65.6°
H14AC14C15H1560.8°174.9°
H14AC14C15H15A59.2°54.8°
H15C15C16H1669.2°178.6°
H15AC15C16H1650.8°61.4°
H16C16C17H1776.7°178.6°
H16C16C17H17A43.3°61.3°
H17C17C18H1877.8°175.1°
H17C17C18H18A42.2°54.5°
H17AC17C18H1842.2°54.9°
H17AC17C18H18A162.2°65.7°
H24C24C25H2564.1°60.0°
H24C24C25H25A175.9°60.0°
H24C24C25H25B56.0°180.0°
H24C24C26H2664.2°60.0°
H24C24C26H26A55.8°60.0°
H24C24C26H26B175.8°180.0°
H25C25H25AH25B120.0°120.0°
H26C26H26AH26B120.0°120.0°

248636

PDB entries from 2026-02-04

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