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705

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F30C29sing1.35Å1.35Å
C29C26doub1.39Å1.40ÅAromatic
C29C28sing1.39Å1.40ÅAromatic
C26C25sing1.38Å1.42ÅAromatic
C25C24doub1.39Å1.41ÅAromatic
C28C27doub1.38Å1.39ÅAromatic
C27C24sing1.39Å1.43ÅAromatic
C24C22sing1.48Å1.46ÅAromatic
C22C21doub1.39Å1.40ÅAromatic
C22C23sing1.40Å1.43ÅAromatic
C21C20sing1.40Å1.39ÅAromatic
C23C33doub1.38Å1.40ÅAromatic
C33O34sing1.36Å1.39Å
C33C31sing1.39Å1.40ÅAromatic
C31O32sing1.36Å1.36Å
C31C20doub1.40Å1.40ÅAromatic
C20C18sing1.48Å1.47Å
C18O19doub1.22Å1.24Å
C18N17sing1.35Å1.35Å
N17C16sing1.46Å1.48Å
C16C15sing1.51Å1.50Å
C15C14doub1.31Å1.34Å
C14C6sing1.51Å1.50Å
C6C4sing1.54Å1.53Å
C6O13sing1.44Å1.43Å
C4O5sing1.43Å1.43Å
C4C2sing1.54Å1.55Å
C2O3sing1.43Å1.40Å
C2C1sing1.54Å1.50Å
O13C1sing1.44Å1.45Å
C1N10sing1.47Å1.46Å
N10C9sing1.36Å1.41ÅAromatic
N10C11sing1.37Å1.39ÅAromatic
C9N8doub1.30Å1.31ÅAromatic
C11N40doub1.33Å1.36ÅAromatic
C11C12sing1.41Å1.36ÅAromatic
N40C39sing1.32Å1.33ÅAromatic
C39N38doub1.32Å1.35ÅAromatic
N38C35sing1.33Å1.34ÅAromatic
C35C12doub1.41Å1.42ÅAromatic
C35N7sing1.38Å1.38Å
C12N8sing1.36Å1.36ÅAromatic
N7C36sing1.46Å1.47Å
C36C37sing1.53Å1.55Å
C37C41sing1.53Å1.55Å
C26H26sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C28H28sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C21H21sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
O34HO34sing0.97Å0.95Å
O32HO32sing0.97Å0.95Å
N17HN17sing0.97Å1.00Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
C15H15sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C6H6sing1.09Å1.10Å
C4H4sing1.09Å1.10Å
O5HO5sing0.97Å0.95Å
C2H2sing1.09Å1.10Å
O3HO3sing0.97Å0.95Å
C1H1sing1.09Å1.10Å
C9H9sing1.08Å1.08Å
C39H39sing1.08Å1.08Å
N7HN7sing0.97Å1.00Å
C36H36sing1.09Å1.10Å
C36H36Asing1.09Å1.10Å
C37H37sing1.09Å1.10Å
C37H37Asing1.09Å1.10Å
C41H41sing1.09Å1.10Å
C41H41Asing1.09Å1.10Å
C41H41Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F30C29C26118.1°119.9°
F30C29C28118.5°119.9°
C26C29C28123.3°120.2°
C29C26C25119.9°120.1°
C29C26H26120.1°119.9°
C29C28C27116.5°120.1°
C29C28H28121.8°119.9°
C26C25C24118.2°119.9°
C25C26H26120.1°119.9°
C26C25H25120.9°120.0°
C25C24C27119.7°119.8°
C25C24C22121.8°120.1°
C24C25H25120.9°120.0°
C28C27C24122.4°119.9°
C27C28H28121.7°120.0°
C28C27H27118.8°120.0°
C27C24C22118.4°120.1°
C24C27H27118.8°120.0°
C24C22C21120.7°120.0°
C24C22C23119.4°120.0°
C21C22C23119.9°120.1°
C22C21C20120.9°119.9°
C22C21H21119.6°120.1°
C22C23C33118.7°120.2°
C22C23H23120.6°119.9°
C21C20C31119.2°119.8°
C21C20C18115.6°120.1°
C20C21H21119.5°120.0°
C23C33O34120.8°119.9°
C23C33C31120.2°120.2°
C33C23H23120.6°119.9°
O34C33C31119.0°119.9°
C33O34HO34109.5°114.0°
C33C31O32117.0°120.1°
C33C31C20121.0°119.9°
O32C31C20121.9°120.1°
C31O32HO32109.5°114.0°
C31C20C18125.1°120.1°
C20C18O19123.9°120.0°
C20C18N17118.9°120.0°
O19C18N17117.2°120.0°
C18N17C16121.6°120.0°
C18N17HN17119.2°119.9°
N17C16C15105.4°109.5°
C16N17HN17119.2°120.1°
N17C16H16110.9°109.5°
N17C16H16A111.7°109.5°
C16C15C14122.5°120.0°
C15C16H16110.8°109.5°
C15C16H16A111.7°109.5°
C16C15H15118.7°120.0°
C15C14C6121.7°120.0°
C14C15H15118.7°120.1°
C15C14H14119.1°120.0°
C14C6C4108.3°110.4°
C14C6O13108.0°110.4°
C6C14H14119.1°120.0°
C14C6H6109.9°110.4°
C4C6O13105.5°104.8°
C6C4O5108.8°110.5°
C6C4C2100.3°104.1°
C4C6H6112.3°110.3°
C6C4H4117.5°110.5°
C6O13C1109.3°105.3°
O13C6H6112.5°110.4°
O5C4C2114.6°110.6°
O5C4H4104.0°110.4°
C4O5HO5109.5°114.1°
C4C2O3111.6°110.5°
C4C2C1101.1°104.1°
C2C4H4112.1°110.6°
C4C2H2112.8°110.6°
O3C2C1107.4°110.5°
O3C2H2107.1°110.4°
C2O3HO3109.5°113.9°
C2C1O13106.4°104.8°
C2C1N10116.5°110.4°
C1C2H2116.7°110.6°
C2C1H1105.5°110.4°
O13C1N10104.8°110.4°
O13C1H1117.1°110.4°
C1N10C9127.0°126.2°
C1N10C11127.8°126.3°
N10C1H1107.1°110.3°
C9N10C11104.9°107.5°
N10C9N8110.9°110.0°
N10C9H9124.6°125.1°
N10C11N40127.8°134.9°
N10C11C12106.8°106.0°
C9N8C12107.1°109.4°
N8C9H9124.6°125.0°
N40C11C12125.5°119.1°
C11N40C39115.5°120.6°
C11C12C35115.3°118.2°
C11C12N8110.3°107.2°
N40C39N38123.8°122.4°
N40C39H39118.1°118.7°
C39N38C35120.0°121.2°
N38C39H39118.1°118.8°
N38C35C12120.0°118.4°
N38C35N7115.1°120.8°
C12C35N7124.9°120.8°
C35C12N8134.4°134.6°
C35N7C36120.7°120.0°
C35N7HN7105.9°120.0°
N7C36C37102.0°109.5°
C36N7HN7105.9°120.0°
N7C36H36112.0°109.5°
N7C36H36A113.6°109.5°
C36C37C41108.8°109.5°
C37C36H36112.0°109.4°
C37C36H36A113.6°109.5°
C36C37H37109.7°109.4°
C36C37H37A109.9°109.5°
C41C37H37109.7°109.5°
C41C37H37A109.9°109.4°
C37C41H41109.5°109.5°
C37C41H41A109.4°109.4°
C37C41H41B109.4°109.5°
H16C16H16A106.4°109.4°
H36C36H36A103.9°109.5°
H37C37H37A108.9°109.5°
H41C41H41A109.5°109.5°
H41C41H41B109.5°109.5°
H41AC41H41B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F30C29C26C28179.9°179.8°
F30C29C26C25179.4°180.0°
F30C29C28C27179.5°180.0°
F30C29C26H260.6°0.0°
F30C29C28H280.5°0.1°
C29C26C25H26180.0°180.0°
C29C26C25C241.6°0.0°
C26C29C28C270.4°0.2°
C29C26C25H25178.4°180.0°
C26C29C28H28179.6°179.7°
C28C29C26C250.7°0.3°
C29C28C27H28180.0°179.9°
C29C28C27C240.6°0.1°
C28C29C26H26179.3°179.7°
C29C28C27H27179.4°179.9°
C26C25C24H25180.0°180.0°
C26C25C24C271.4°0.3°
C26C25C24C22179.3°180.0°
C25C24C27C280.3°0.4°
C25C24C27C22178.0°179.6°
C25C24C22C2139.8°180.0°
C25C24C22C23140.8°0.3°
C24C25C26H26178.4°180.0°
C25C24C27H27179.7°179.7°
C28C27C24H27180.0°179.9°
C28C27C24C22178.2°180.0°
C27C24C22C21142.3°0.4°
C27C24C22C2337.1°180.0°
C27C24C25H25178.6°179.7°
C24C27C28H28179.3°180.0°
C24C22C21C23179.4°179.6°
C24C22C21C20177.6°179.9°
C24C22C23C33179.2°179.9°
C22C24C25H250.7°0.0°
C22C24C27H271.8°0.0°
C24C22C21H212.4°0.1°
C24C22C23H230.7°0.1°
C22C21C20H21180.0°179.9°
C21C22C23C330.1°0.3°
C22C21C20C313.0°0.0°
C22C21C20C18179.4°180.0°
C21C22C23H23179.9°179.7°
C23C22C21C201.7°0.3°
C22C23C33H23180.0°180.0°
C22C23C33O34178.3°180.0°
C22C23C33C310.1°0.1°
C23C22C21H21178.2°179.8°
C21C20C31C332.8°0.3°
C21C20C31O32180.0°180.0°
C21C20C31C18176.0°180.0°
C21C20C18O1916.4°180.0°
C21C20C18N17161.0°0.0°
C23C33O34C31178.4°179.9°
C23C33C31O32178.5°180.0°
C23C33C31C201.2°0.3°
C23C33O34HO3464.6°90.0°
O34C33C31O323.1°0.1°
O34C33C31C20179.6°179.7°
O34C33C23H231.8°0.0°
C33C31O32C20177.3°179.7°
C33C31C20C18178.7°179.7°
C31C33C23H23179.9°180.0°
C31C33O34HO34113.8°90.0°
C33C31O32HO3257.3°90.1°
O32C31C20C184.1°0.0°
C31C20C18O19167.5°0.0°
C31C20C18N1715.0°180.0°
C31C20C21H21176.9°179.9°
C20C31O32HO32120.0°90.3°
C20C18O19N17177.5°180.0°
C20C18N17C16180.0°180.0°
C18C20C21H210.6°0.1°
C20C18N17HN170.1°0.0°
O19C18N17C162.5°0.0°
O19C18N17HN17177.5°180.0°
C18N17C16HN17180.0°180.0°
C18N17C16C15160.6°180.0°
C18N17C16H1679.4°60.0°
C18N17C16H16A39.1°60.0°
N17C16C15H16120.0°120.0°
N17C16C15H16A121.5°120.0°
N17C16C15C14152.2°125.0°
N17C16H16H16A121.7°120.0°
N17C16C15H1527.8°55.0°
C16C15C14H15180.0°180.0°
C16C15C14C6178.7°180.0°
C15C16N17HN1719.4°0.0°
C15C16H16H16A121.6°120.0°
C16C15C14H141.4°0.0°
C15C14C6H14180.0°180.0°
C15C14C6C4140.9°125.0°
C15C14C6O13105.2°9.6°
C14C15C16H1687.8°5.0°
C14C15C16H16A30.6°115.0°
C15C14C6H617.9°112.8°
C14C6C4O13115.5°118.9°
C14C6C4H6121.6°122.3°
C14C6O13H6121.6°122.3°
C14C6C4O5159.5°98.5°
C14C6C4C280.0°142.8°
C14C6O13C199.3°159.3°
C6C14C15H151.3°0.0°
C14C6C4H441.7°24.0°
C4C6O13H6122.7°118.8°
C6C4O5C2111.3°114.7°
C6C4O5H4126.0°122.6°
C6C4C2H4125.5°118.7°
C6C4C2O3154.4°118.6°
C6C4C2C140.5°0.0°
C4C6O13C116.4°40.4°
C4C6C14H1439.1°55.0°
C6C4O5HO5156.0°61.4°
C6C4C2H285.0°118.8°
O13C6C4O585.0°142.6°
O13C6C4C235.5°23.9°
C6O13C1C210.5°40.5°
C6O13C1N10134.4°159.4°
O13C6C14H1474.8°170.4°
O13C6C4H4157.2°94.9°
C6O13C1H1107.1°78.4°
O5C4C2H4118.3°122.6°
O5C4C2O338.1°0.0°
O5C4C2C175.8°118.7°
O5C4C6H637.9°23.8°
O5C4C2H2158.8°122.5°
C4C2O3C1110.0°114.6°
C4C2O3H2124.0°122.7°
C4C2C1H2122.8°118.8°
C4C2C1O1332.3°24.0°
C4C2C1N10148.6°142.9°
C2C4C6H6158.4°95.0°
C2C4O5HO592.8°176.1°
C4C2O3HO3114.3°61.4°
C4C2C1H192.7°94.9°
O3C2C1H2120.1°122.6°
O3C2C1O13149.4°142.6°
O3C2C1N1094.3°98.5°
O3C2C4H480.1°122.6°
O3C2C1H124.3°23.8°
C2C1O13N10124.0°118.9°
C2C1O13H1117.6°118.9°
C2C1N10H1117.7°122.3°
C2C1N10C950.2°95.0°
C2C1N10C11137.5°84.7°
C1C2C4H4165.9°118.7°
C1C2O3HO34.3°176.1°
O13C1N10H1125.0°122.3°
O13C1N10C967.0°20.5°
O13C1N10C11105.2°159.9°
C1O13C6H6139.2°78.4°
O13C1C2H290.5°94.8°
C1N10C9C11173.7°179.7°
C1N10C9N8175.8°179.9°
C1N10C11N405.5°0.0°
C1N10C11C12175.3°179.9°
N10C1C2H225.8°24.1°
C1N10C9H94.2°0.1°
N10C9N8H9180.0°180.0°
C9N10C11N40179.1°179.7°
C9N10C11C121.7°0.3°
N10C9N8C121.7°0.1°
C9N10C1H1168.0°142.7°
C11N10C9N82.1°0.2°
N10C11N40C12179.1°180.0°
N10C11N40C39179.5°180.0°
N10C11C12C35179.5°179.9°
N10C11C12N80.8°0.2°
C11N10C1H119.8°37.6°
C11N10C9H9177.9°179.8°
C9N8C12C110.6°0.1°
C9N8C12C35177.8°179.7°
C11N40C39N380.2°0.0°
N40C11C12C351.3°0.1°
N40C11C12N8180.0°179.8°
C11N40C39H39179.8°180.0°
C12C11N40C390.5°0.0°
C11C12C35N381.6°0.1°
C11C12C35N8178.3°179.6°
C11C12C35N7178.8°180.0°
N40C39N38H39180.0°180.0°
N40C39N38C350.2°0.0°
C39N38C35C121.2°0.1°
C39N38C35N7178.6°180.0°
N38C35C12N7177.1°179.9°
N38C35C12N8179.9°179.7°
N38C35N7C36171.9°0.1°
C35N38C39H39179.8°180.0°
N38C35N7HN751.8°180.0°
C12C35N7C365.4°180.0°
C12C35N7HN7125.4°0.0°
N7C35C12N82.9°0.4°
C35N7C36HN7120.0°180.0°
C35N7C36C3790.1°180.0°
C35N7C36H36150.0°60.0°
C35N7C36H36A32.6°60.0°
C12N8C9H9178.3°179.9°
N7C36C37H36120.0°120.0°
N7C36C37H36A122.7°120.0°
N7C36C37C41154.9°180.0°
N7C36H36H36A123.0°120.0°
N7C36C37H3785.1°60.0°
N7C36C37H37A34.6°60.0°
C36C37C41H37120.0°120.0°
C36C37C41H37A120.3°120.0°
C37C36N7HN730.0°0.0°
C37C36H36H36A123.0°120.0°
C36C37H37H37A120.3°120.0°
C36C37C41H4143.8°180.0°
C36C37C41H41A76.2°60.0°
C36C37C41H41B163.8°60.0°
C41C37C36H3634.9°60.0°
C41C37C36H36A82.4°60.0°
C41C37H37H37A120.3°120.0°
C37C41H41H41A120.0°120.0°
C37C41H41H41B120.0°120.0°
C37C41H41AH41B120.0°120.0°
H26C26C25H251.6°0.0°
H28C28C27H270.6°0.1°
HN17N17C16H16100.6°120.0°
HN17N17C16H16A140.9°120.0°
H16C16C15H1592.2°175.0°
H16AC16C15H15149.4°65.0°
H15C15C14H14178.6°180.0°
H14C14C6H6162.1°67.2°
H6C6C4H479.9°146.2°
H4C4O5HO529.9°61.1°
H4C4C2H240.5°0.1°
H2C2O3HO3121.8°61.2°
H2C2C1H1144.4°146.4°
HN7N7C36H3690.0°120.0°
HN7N7C36H36A152.6°120.0°
H36C36C37H37154.9°180.0°
H36C36C37H37A85.4°60.0°
H36AC36C37H3737.6°60.0°
H36AC36C37H37A157.3°180.0°
H37C37C41H41163.8°60.0°
H37C37C41H41A43.8°180.0°
H37C37C41H41B76.2°60.0°
H37AC37C41H4176.5°60.0°
H37AC37C41H41A163.5°60.0°
H37AC37C41H41B43.5°180.0°
H41C41H41AH41B120.0°120.0°

222415

PDB entries from 2024-07-10

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