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831

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C1sing1.47Å1.51Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
C29F1sing1.40Å1.36Å
C2N1sing1.47Å1.51Å
N1C3sing1.47Å1.53Å
C22O1doub1.22Å1.23Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C2H2Bsing1.09Å1.10Å
C29F2sing1.40Å1.36Å
N3N2sing1.40Å1.36ÅAromatic
C11N2doub1.31Å1.33ÅAromatic
C3C4sing1.51Å1.52Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
F3C29sing1.40Å1.35Å
C12N3sing1.37Å1.41ÅAromatic
N3C15sing1.37Å1.41ÅAromatic
C5C4doub1.38Å1.41ÅAromatic
C4C9sing1.38Å1.40ÅAromatic
N4C13doub1.31Å1.30ÅAromatic
N4C12sing1.34Å1.37ÅAromatic
C5C6sing1.38Å1.41ÅAromatic
C5H5sing1.08Å1.08Å
C20N5sing1.40Å1.41Å
N5C22sing1.35Å1.38Å
N5HN5sing0.97Å1.00Å
C6C7doub1.40Å1.41ÅAromatic
C6H6sing1.08Å1.08Å
C7C10sing1.48Å1.46ÅAromatic
C7C8sing1.39Å1.40ÅAromatic
C9C8doub1.38Å1.40ÅAromatic
C8H8sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
C12C10doub1.40Å1.39ÅAromatic
C10C11sing1.40Å1.41ÅAromatic
C11H11sing1.08Å1.08Å
C13C14sing1.40Å1.48ÅAromatic
C13H13sing1.08Å1.08Å
C14C15doub1.38Å1.34ÅAromatic
C14H14sing1.08Å1.08Å
C15C16sing1.48Å1.47ÅAromatic
C17C16doub1.40Å1.40ÅAromatic
C16C21sing1.40Å1.40ÅAromatic
C17C18sing1.38Å1.39ÅAromatic
C17H17sing1.08Å1.08Å
C18C19doub1.38Å1.39ÅAromatic
C18H18sing1.08Å1.08Å
C19C20sing1.39Å1.39ÅAromatic
C19H19sing1.08Å1.08Å
C21C20doub1.39Å1.41ÅAromatic
C21H21sing1.08Å1.08Å
C22C23sing1.48Å1.48Å
C23C24doub1.40Å1.38ÅAromatic
C23C28sing1.40Å1.39ÅAromatic
C24C25sing1.38Å1.39ÅAromatic
C24H24sing1.08Å1.08Å
C25C26doub1.38Å1.39ÅAromatic
C25H25sing1.08Å1.08Å
C27C26sing1.38Å1.39ÅAromatic
C26H26sing1.08Å1.08Å
C28C27doub1.38Å1.39ÅAromatic
C27C29sing1.51Å1.49Å
C28H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C1H1109.5°109.5°
N1C1H1A109.5°109.4°
N1C1H1B109.5°109.5°
C1N1C2110.6°111.0°
C1N1C3113.9°111.0°
H1C1H1A109.5°109.5°
H1C1H1B109.5°109.4°
H1AC1H1B109.5°109.4°
F1C29F2107.4°109.4°
F1C29F3105.5°109.5°
F1C29C27109.5°109.5°
C2N1C3113.1°111.0°
N1C2H2109.5°109.5°
N1C2H2A109.5°109.4°
N1C2H2B109.4°109.5°
N1C3C4121.6°109.5°
N1C3H3105.6°109.4°
N1C3H3A105.6°109.5°
O1C22N5127.8°120.0°
O1C22C23117.9°120.0°
H2C2H2A109.5°109.4°
H2C2H2B109.5°109.5°
H2AC2H2B109.5°109.5°
F2C29F3104.9°109.4°
F2C29C27114.1°109.5°
N3N2C11103.8°109.2°
N2N3C12111.8°107.9°
N2N3C15126.0°132.4°
N2C11C10114.9°108.9°
N2C11H11122.5°125.5°
C4C3H3105.6°109.5°
C4C3H3A105.6°109.4°
C3C4C5123.9°119.9°
C3C4C9118.4°119.9°
H3C3H3A113.0°109.5°
F3C29C27114.7°109.5°
C12N3C15122.2°119.6°
N3C12N4119.8°120.8°
N3C12C10106.4°106.7°
N3C15C14119.2°118.7°
N3C15C16120.4°120.6°
C5C4C9117.7°120.2°
C4C5C6121.3°120.2°
C4C5H5119.4°119.9°
C4C9C8121.0°120.1°
C4C9H9119.5°119.9°
C13N4C12116.7°121.3°
N4C13C14127.2°120.4°
N4C13H13116.4°119.8°
N4C12C10133.8°132.5°
C6C5H5119.4°119.9°
C5C6C7120.8°119.8°
C5C6H6119.6°120.1°
C20N5C22126.3°119.9°
C20N5HN5116.9°120.1°
N5C20C19121.5°120.0°
N5C20C21118.5°120.0°
C22N5HN5116.8°120.0°
N5C22C23114.2°120.0°
C7C6H6119.6°120.1°
C6C7C10123.2°120.1°
C6C7C8117.5°119.7°
C10C7C8119.3°120.2°
C7C10C12130.4°126.3°
C7C10C11126.5°126.4°
C7C8C9121.8°119.9°
C7C8H8119.1°120.0°
C9C8H8119.1°120.1°
C8C9H9119.5°120.0°
C12C10C11103.1°107.3°
C10C11H11122.5°125.6°
C14C13H13116.4°119.8°
C13C14C15114.9°119.2°
C13C14H14122.6°120.4°
C15C14H14122.6°120.4°
C14C15C16120.4°120.6°
C15C16C17115.8°120.1°
C15C16C21125.2°120.1°
C17C16C21119.0°119.8°
C16C17C18121.3°120.0°
C16C17H17119.4°120.0°
C16C21C20119.8°119.8°
C16C21H21120.1°120.1°
C18C17H17119.3°120.0°
C17C18C19119.7°120.2°
C17C18H18120.1°119.9°
C19C18H18120.2°119.9°
C18C19C20120.2°120.3°
C18C19H19119.9°119.9°
C20C19H19119.9°119.9°
C19C20C21120.0°120.0°
C20C21H21120.1°120.1°
C22C23C24123.3°120.2°
C22C23C28116.5°120.2°
C24C23C28120.2°119.7°
C23C24C25119.1°119.9°
C23C24H24120.5°120.0°
C23C28C27120.5°119.9°
C23C28H28119.7°120.0°
C25C24H24120.4°120.1°
C24C25C26121.1°120.1°
C24C25H25119.4°119.9°
C26C25H25119.5°119.9°
C25C26C27119.5°120.3°
C25C26H26120.3°119.9°
C27C26H26120.3°119.8°
C26C27C28119.6°120.1°
C26C27C29121.8°120.0°
C28C27C29118.6°119.9°
C27C28H28119.8°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1H1H1A120.0°120.0°
N1C1H1H1B120.0°120.0°
N1C1H1AH1B120.0°120.0°
C1N1C2C3129.1°123.9°
C1N1C2H2180.0°63.9°
C1N1C2H2A60.0°176.1°
C1N1C2H2B60.0°56.1°
C1N1C3C448.6°66.1°
C1N1C3H3168.6°173.9°
C1N1C3H3A71.4°53.9°
H1C1H1AH1B120.0°120.0°
H1C1N1C2180.0°64.0°
H1C1N1C351.4°60.0°
H1AC1N1C260.0°56.1°
H1AC1N1C368.7°180.0°
H1BC1N1C260.0°176.0°
H1BC1N1C3171.4°60.0°
F1C29F2F3111.9°120.0°
F1C29F2C27121.6°120.0°
F1C29F3C27120.7°120.1°
F1C29C27C26138.8°120.0°
F1C29C27C2840.7°60.2°
N1C2H2H2A120.0°119.9°
N1C2H2H2B120.0°120.0°
N1C2H2AH2B120.0°120.0°
C2N1C3C4176.0°170.0°
C2N1C3H364.0°50.0°
C2N1C3H3A56.0°70.0°
C3N1C2H250.9°60.0°
C3N1C2H2A170.9°60.0°
C3N1C2H2B69.1°180.0°
N1C3C4H3120.0°120.0°
N1C3C4H3A120.0°120.0°
N1C3H3H3A115.0°120.0°
N1C3C4C524.0°89.7°
N1C3C4C9156.7°90.0°
O1C22N5C200.7°4.7°
O1C22N5C23178.4°179.9°
O1C22N5HN5179.2°175.3°
O1C22C23C24147.8°179.9°
O1C22C23C2832.6°0.2°
H2C2H2AH2B120.0°120.0°
F2C29F3C27126.1°120.0°
F2C29C27C2618.4°120.0°
F2C29C27C28161.1°59.8°
N2N3C12C15180.0°179.9°
N2N3C12N4179.8°180.0°
N2N3C12C100.0°0.0°
N3N2C11C100.0°0.0°
N3N2C11H11180.0°180.0°
N2N3C15C14179.9°180.0°
N2N3C15C161.6°0.1°
C11N2N3C120.0°0.0°
C11N2N3C15180.0°179.9°
N2C11C10C7179.6°180.0°
N2C11C10C120.0°0.0°
N2C11C10H11180.0°180.0°
C4C3H3H3A115.0°120.0°
C3C4C5C9179.4°179.7°
C3C4C5C6179.7°180.0°
C3C4C5H50.3°0.1°
C3C4C9C8179.7°179.8°
C3C4C9H90.3°0.0°
H3C3C4C596.0°150.3°
H3C3C4C983.3°30.0°
H3AC3C4C5144.0°30.3°
H3AC3C4C936.7°150.0°
F3C29C27C26102.8°0.1°
F3C29C27C2877.7°179.7°
N3C12N4C130.2°0.0°
N3C12N4C10179.8°179.9°
N3C12C10C7179.6°179.9°
N3C12C10C110.0°0.0°
C12N3C15C140.0°0.1°
C12N3C15C16178.4°180.0°
C15N3C12N40.2°0.0°
C15N3C12C10180.0°179.9°
N3C15C14C130.2°0.1°
N3C15C14C16178.4°179.8°
N3C15C14H14179.9°180.0°
N3C15C16C17107.9°65.3°
N3C15C16C2171.8°114.9°
C4C5C6H5180.0°179.9°
C4C5C6C70.8°0.0°
C4C5C6H6179.2°180.0°
C5C4C9C80.9°0.5°
C5C4C9H9179.1°179.7°
C9C4C5C60.9°0.3°
C9C4C5H5179.1°179.8°
C4C9C8C70.9°0.5°
C4C9C8H9180.0°179.8°
C4C9C8H8179.1°179.7°
C13N4C12C10180.0°180.0°
N4C13C14H13180.0°180.0°
N4C13C14C150.1°0.1°
N4C13C14H14180.0°179.9°
N4C12C10C70.6°0.1°
N4C12C10C11179.8°180.0°
C12N4C13C140.1°0.0°
C12N4C13H13179.9°180.0°
C5C6C7H6180.0°180.0°
C5C6C7C10179.2°180.0°
C5C6C7C80.7°0.0°
H5C5C6C7179.2°179.9°
H5C5C6H60.8°0.0°
C20N5C22HN5180.0°180.0°
N5C20C21C16178.6°179.7°
N5C20C19C18178.7°180.0°
N5C20C19C21178.5°179.6°
N5C20C19H191.3°0.1°
N5C20C21H211.4°0.1°
C20N5C22C23177.6°175.4°
C22N5C20C19160.3°145.0°
C22N5C20C2118.2°35.4°
N5C22C23C2433.7°0.0°
N5C22C23C28146.0°179.7°
HN5N5C20C1919.7°35.1°
HN5N5C20C21161.8°144.6°
HN5N5C22C232.4°4.7°
C6C7C10C8179.9°180.0°
C6C7C8C90.8°0.3°
C6C7C8H8179.2°180.0°
C6C7C10C1212.3°130.1°
C6C7C10C11167.1°50.0°
H6C6C7C100.8°0.0°
H6C6C7C8179.3°180.0°
C10C7C8C9179.2°179.8°
C10C7C8H80.8°0.1°
C7C10C12C11179.6°179.9°
C7C10C11H110.4°0.1°
C7C8C9H8180.0°179.7°
C7C8C9H9179.1°179.7°
C8C7C10C12167.7°50.0°
C8C7C10C1112.8°129.9°
H8C8C9H90.9°0.1°
C12C10C11H11180.0°180.0°
C13C14C15H14180.0°179.9°
C13C14C15C16178.5°180.0°
H13C13C14C15179.9°180.0°
H13C13C14H140.0°0.1°
C14C15C16C1770.5°114.8°
C14C15C16C21109.9°64.9°
H14C14C15C161.5°0.1°
C15C16C17C21179.7°179.7°
C15C16C17C18179.8°180.0°
C15C16C17H170.2°0.0°
C15C16C21C20179.7°179.7°
C15C16C21H210.3°0.0°
C16C17C18H17180.0°180.0°
C16C17C18C190.0°0.0°
C16C17C18H18180.0°179.9°
C17C16C21C200.1°0.6°
C17C16C21H21179.9°179.7°
C21C16C17C180.1°0.3°
C21C16C17H17179.8°179.7°
C16C21C20C190.1°0.6°
C16C21C20H21180.0°179.6°
C17C18C19H18180.0°179.9°
C17C18C19C200.2°0.0°
C17C18C19H19179.8°179.9°
H17C17C18C19180.0°179.9°
H17C17C18H180.0°0.0°
C18C19C20H19180.0°180.0°
C18C19C20C210.3°0.3°
H18C18C19C20179.8°179.9°
H18C18C19H190.2°0.0°
C19C20C21H21179.9°179.7°
H19C19C20C21179.7°179.7°
C22C23C24C28179.6°179.7°
C22C23C24C25179.9°180.0°
C22C23C24H240.1°0.0°
C22C23C28C27179.9°179.8°
C22C23C28H280.1°0.0°
C23C24C25H24180.0°180.0°
C23C24C25C260.2°0.0°
C23C24C25H25179.8°180.0°
C24C23C28C270.2°0.5°
C24C23C28H28179.8°179.7°
C28C23C24C250.3°0.3°
C28C23C24H24179.7°179.7°
C23C28C27C260.2°0.5°
C23C28C27H28180.0°179.8°
C23C28C27C29179.4°179.7°
C24C25C26H25180.0°180.0°
C24C25C26C270.2°0.0°
C24C25C26H26179.8°180.0°
H24C24C25C26179.8°180.0°
H24C24C25H250.2°0.0°
C25C26C27H26180.0°180.0°
C25C26C27C280.1°0.3°
C25C26C27C29179.4°179.9°
H25C25C26C27179.8°180.0°
H25C25C26H260.2°0.0°
C26C27C28C29179.5°179.8°
C26C27C28H28179.8°179.7°
H26C26C27C28179.8°179.7°
H26C26C27C290.7°0.1°
C29C27C28H280.6°0.1°

222624

PDB entries from 2024-07-17

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