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N2T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.38Å1.43ÅAromatic
C1C6doub1.39Å1.42ÅAromatic
C1F41sing1.35Å1.30Å
C2C3doub1.40Å1.45ÅAromatic
C2H2sing1.08Å1.08Å
C3C4sing1.40Å1.42ÅAromatic
C3C10sing1.48Å1.48Å
C4C5doub1.38Å1.45ÅAromatic
C4F40sing1.35Å1.32Å
C5C6sing1.38Å1.43ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C10C11sing1.51Å1.50Å
C10C14doub1.32Å1.47Å
C11N12sing1.47Å1.49Å
C11H111sing1.09Å1.10Å
C11H112sing1.09Å1.10Å
N12C13sing1.47Å1.45Å
N12C8sing1.35Å1.35Å
C13C14sing1.51Å1.50Å
C13C17sing1.51Å1.49Å
C13H13sing1.09Å1.10Å
C14H14sing1.08Å1.08Å
C17C19sing1.38Å1.46ÅAromatic
C17C23doub1.38Å1.46ÅAromatic
C19C20doub1.38Å1.45ÅAromatic
C19H19sing1.08Å1.08Å
C20C21sing1.38Å1.46ÅAromatic
C20H20sing1.08Å1.08Å
C21C22doub1.38Å1.46ÅAromatic
C21H21sing1.08Å1.08Å
C22C23sing1.38Å1.46ÅAromatic
C22H22sing1.08Å1.08Å
C23H23sing1.08Å1.08Å
C8N1sing1.35Å1.37Å
C8O2doub1.22Å1.23Å
N1C35sing1.46Å1.44Å
N1C26sing1.47Å1.46Å
C35C15sing1.53Å1.53Å
C35C12sing1.53Å1.52Å
C35H35sing1.09Å1.10Å
C15C9sing1.53Å1.53Å
C15H151sing1.09Å1.10Å
C15H152sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
C26H263sing1.09Å1.10Å
C12C16sing1.53Å1.53Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C9N2sing1.47Å1.50Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C16N2sing1.47Å1.48Å
C16H161sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
N2HN2sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6124.6°120.2°
C2C1F41118.2°119.9°
C1C2C3117.0°119.9°
C1C2H2121.5°120.1°
C6C1F41117.2°120.0°
C1C6C5119.0°120.3°
C1C6H6120.5°119.8°
C3C2H2121.5°120.0°
C2C3C4118.3°119.7°
C2C3C10119.4°120.2°
C4C3C10122.4°120.2°
C3C4C5124.5°119.9°
C3C4F40113.7°120.0°
C3C10C11121.8°125.1°
C3C10C14130.0°125.1°
C5C4F40121.7°120.0°
C4C5C6116.6°120.1°
C4C5H5121.7°120.0°
C6C5H5121.7°119.9°
C5C6H6120.5°119.9°
C11C10C14108.1°109.8°
C10C11N12103.9°107.2°
C10C11H111112.5°109.9°
C10C11H112111.4°109.8°
C10C14C13107.6°109.8°
C10C14H14126.1°125.1°
N12C11H111112.6°109.9°
N12C11H112111.3°109.9°
C11N12C13112.2°105.8°
C11N12C8119.4°127.1°
H111C11H112105.3°110.0°
C13N12C8127.3°127.1°
N12C13C14105.0°107.3°
N12C13C17128.0°110.3°
N12C13H13112.6°109.6°
N12C8N1113.2°120.0°
N12C8O2121.2°120.0°
C14C13C17124.9°109.9°
C14C13H13121.3°109.9°
C13C14H14126.2°125.1°
C17C13H1354.5°109.9°
C13C17C19120.6°120.0°
C13C17C23118.4°120.0°
C19C17C23121.0°120.0°
C17C19C20120.2°120.0°
C17C19H19119.9°119.9°
C17C23C22119.9°120.0°
C17C23H23120.1°120.0°
C20C19H19119.9°120.0°
C19C20C21118.0°120.0°
C19C20H20121.0°120.0°
C21C20H20121.0°120.0°
C20C21C22123.0°120.0°
C20C21H21118.5°120.0°
C22C21H21118.5°120.0°
C21C22C23117.9°120.0°
C21C22H22121.1°120.0°
C23C22H22121.1°120.0°
C22C23H23120.0°120.0°
N1C8O2125.6°120.1°
C8N1C35127.1°120.0°
C8N1C26121.0°120.0°
C35N1C26111.8°120.1°
N1C35C15113.3°109.5°
N1C35C12112.7°109.5°
N1C35H35103.5°109.6°
N1C26H261109.5°109.5°
N1C26H262109.5°109.5°
N1C26H263109.5°109.4°
C15C35C12106.3°108.9°
C15C35H35110.2°109.6°
C35C15C9112.9°109.2°
C35C15H151107.6°109.5°
C35C15H152108.3°109.6°
C12C35H35110.9°109.6°
C35C12C16113.0°109.2°
C35C12H121107.5°109.6°
C35C12H122108.3°109.5°
C9C15H151107.5°109.5°
C9C15H152108.3°109.5°
C15C9N2108.9°109.7°
C15C9H91109.8°109.5°
C15C9H92109.7°109.5°
H151C15H152112.2°109.5°
H261C26H262109.5°109.5°
H261C26H263109.5°109.4°
H262C26H263109.5°109.5°
C16C12H121107.5°109.5°
C16C12H122108.3°109.5°
C12C16N2108.2°109.8°
C12C16H161110.2°109.4°
C12C16H162109.9°109.5°
H121C12H122112.2°109.6°
N2C9H91109.8°109.4°
N2C9H92109.7°109.4°
C9N2C16114.0°107.3°
C9N2HN2108.0°106.7°
H91C9H92109.0°109.4°
N2C16H161110.2°109.4°
N2C16H162109.9°109.4°
C16N2HN2108.0°106.7°
H161C16H162108.5°109.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6F41179.3°180.0°
C1C2C3H2180.0°180.0°
C1C2C3C41.6°0.3°
C1C2C3C10176.6°179.9°
C2C1C6C53.1°0.0°
C2C1C6H6176.9°180.0°
C6C1C2C31.2°0.0°
C6C1C2H2178.8°180.0°
C1C6C5C41.9°0.2°
C1C6C5H6180.0°180.0°
C1C6C5H5178.1°180.0°
F41C1C2C3179.4°180.0°
F41C1C2H20.5°0.0°
F41C1C6C5177.6°180.0°
F41C1C6H62.4°0.0°
C2C3C4C10178.1°179.7°
C2C3C4C52.8°0.5°
C2C3C4F40178.3°180.0°
C2C3C10C111.5°105.0°
C2C3C10C14174.4°75.0°
H2C2C3C4178.3°179.7°
H2C2C3C103.5°0.1°
C3C4C5F40178.8°179.5°
C3C4C5C60.9°0.5°
C3C4C5H5179.1°179.7°
C4C3C10C11176.6°74.7°
C4C3C10C147.5°105.3°
C10C3C4C5175.4°179.8°
C10C3C4F403.5°0.3°
C3C10C11C14176.7°180.0°
C3C10C11N12164.4°180.0°
C3C10C11H11173.6°60.6°
C3C10C11H11244.4°60.6°
C3C10C14C13158.2°179.8°
C3C10C14H1421.8°0.1°
C4C5C6H5180.0°179.8°
C4C5C6H6178.1°179.8°
F40C4C5C6179.7°180.0°
F40C4C5H50.3°0.2°
H5C5C6H61.9°0.0°
C10C11N12H111122.1°119.4°
C10C11N12H112120.0°119.3°
C10C11H111H112121.5°121.1°
C10C11N12C132.0°0.2°
C10C11N12C8170.8°179.9°
C11C10C14C1318.2°0.3°
C11C10C14H14161.8°180.0°
C14C10C11N1212.4°0.0°
C14C10C11H111109.7°119.4°
C14C10C11H112132.3°119.4°
C10C14C13N1216.5°0.4°
C10C14C13H14180.0°179.7°
C10C14C13C17148.3°119.6°
C10C14C13H13145.5°119.4°
N12C11H111H112121.5°121.1°
C11N12C13C8167.7°179.7°
C11N12C13C148.8°0.4°
C11N12C13C17155.3°119.3°
C11N12C13H13142.9°119.6°
C11N12C8N158.0°19.3°
C11N12C8O2121.0°160.7°
H111C11N12C13120.1°119.6°
H111C11N12C848.7°60.6°
H112C11N12C13122.0°119.1°
H112C11N12C869.3°60.6°
N12C13C14C17164.8°120.0°
N12C13C14H13129.1°119.0°
N12C13C17H1392.4°120.9°
N12C13C14H14163.6°179.9°
N12C13C17C1998.6°39.8°
N12C13C17C2384.0°140.5°
C13N12C8N1135.0°161.0°
C13N12C8O246.0°19.0°
C8N12C13C14158.8°179.9°
C8N12C13C1737.0°60.4°
C8N12C13H1324.8°60.7°
N12C8N1O2178.9°180.0°
N12C8N1C35152.8°152.8°
N12C8N1C2626.1°27.1°
C14C13C17H13106.3°121.0°
C14C13C17C19100.2°78.3°
C14C13C17C2377.3°101.4°
C17C13C14H1431.6°60.1°
C13C17C19C23177.4°179.7°
C13C17C19C20176.8°179.8°
C13C17C19H193.2°0.2°
C13C17C23C22176.0°180.0°
C13C17C23H234.0°0.1°
H13C13C14H1434.5°60.9°
H13C13C17C196.2°160.7°
H13C13C17C23176.4°19.6°
C17C19C20H19180.0°179.6°
C17C19C20C210.2°0.5°
C17C19C20H20179.8°179.8°
C19C17C23C221.5°0.3°
C19C17C23H23178.5°179.8°
C23C17C19C200.5°0.5°
C23C17C19H19179.5°179.9°
C17C23C22C212.0°0.1°
C17C23C22H23180.0°179.9°
C17C23C22H22178.0°180.0°
C19C20C21H20180.0°179.8°
C19C20C21C220.8°0.2°
C19C20C21H21179.2°179.8°
H19C19C20C21179.8°180.0°
H19C19C20H200.2°0.2°
C20C21C22H21180.0°179.9°
C20C21C22C231.7°0.0°
C20C21C22H22178.3°180.0°
H20C20C21C22179.2°180.0°
H20C20C21H210.8°0.1°
C21C22C23H22180.0°179.9°
C21C22C23H23178.0°180.0°
H21C21C22C23178.3°180.0°
H21C21C22H221.7°0.1°
H22C22C23H232.0°0.0°
C8N1C35C26179.0°179.9°
C8N1C35C1556.3°120.1°
C8N1C35C1264.4°120.5°
C8N1C35H35175.7°0.2°
C8N1C26H26134.5°6.2°
C8N1C26H262154.5°113.9°
C8N1C26H26385.5°126.1°
O2C8N1C3526.1°27.2°
O2C8N1C26155.0°152.9°
N1C35C15C12124.3°119.8°
N1C35C15H35115.5°120.3°
N1C35C12H35115.5°120.3°
N1C35C15C9178.6°175.4°
N1C35C15H15160.1°64.7°
N1C35C15H15261.4°55.5°
C35N1C26H261146.4°173.9°
C35N1C26H26226.5°66.0°
C35N1C26H26393.6°54.0°
N1C35C12C16177.0°175.4°
N1C35C12H12164.4°55.5°
N1C35C12H12257.1°64.7°
C26N1C35C15124.7°60.0°
C26N1C35C12114.5°59.4°
C26N1C35H355.3°179.7°
N1C26H261H262120.0°120.1°
N1C26H261H263120.0°119.9°
N1C26H262H263120.0°120.0°
C15C35C12H35119.8°119.9°
C35C15C9H151118.5°119.9°
C35C15C9H152120.0°120.0°
C35C15H151H152119.1°120.2°
C15C35C12C1658.3°55.6°
C15C35C12H12160.2°64.3°
C15C35C12H122178.2°175.5°
C35C15C9N256.4°61.5°
C35C15C9H9163.8°58.6°
C35C15C9H92176.4°178.5°
C12C35C15C957.1°55.7°
C12C35C15H151175.6°175.5°
C12C35C15H15262.9°64.3°
C35C12C16H121118.5°119.9°
C35C12C16H122120.0°120.0°
C35C12H121H122119.0°120.2°
C35C12C16N258.7°61.4°
C35C12C16H161179.2°58.7°
C35C12C16H16261.3°178.5°
H35C35C15C963.1°64.3°
H35C35C15H15155.4°55.6°
H35C35C15H152176.9°175.7°
H35C35C12C1661.5°64.3°
H35C35C12H121180.0°175.8°
H35C35C12H12258.4°55.6°
C9C15H151H152119.0°120.1°
C15C9N2H91120.2°120.1°
C15C9N2H92120.0°120.1°
C15C9H91H92120.2°119.9°
C15C9N2C1656.4°65.6°
C15C9N2HN263.6°179.7°
H151C15C9N2174.9°178.7°
H151C15C9H9154.7°61.2°
H151C15C9H9265.1°58.6°
H152C15C9N263.6°58.5°
H152C15C9H91176.2°178.6°
H152C15C9H9256.4°61.5°
H261C26H262H263120.0°120.0°
C16C12H121H122119.0°120.1°
C12C16N2C957.1°65.6°
C12C16N2H161120.5°120.1°
C12C16N2H162120.0°120.1°
C12C16H161H162120.3°119.9°
C12C16N2HN262.9°179.7°
H121C12C16N259.8°58.5°
H121C12C16H16160.7°178.7°
H121C12C16H162179.8°61.6°
H122C12C16N2178.7°178.7°
H122C12C16H16160.8°61.2°
H122C12C16H16258.7°58.6°
N2C9H91H92120.2°119.8°
C9N2C16HN2120.0°114.1°
C9N2C16H161177.5°54.5°
C9N2C16H16263.0°174.2°
H91C9N2C1663.8°54.5°
H91C9N2HN2176.2°59.6°
H92C9N2C16176.4°174.2°
H92C9N2HN256.4°60.2°
N2C16H161H162120.4°119.8°
H161C16N2HN257.5°59.6°
H162C16N2HN2177.0°60.1°

222624

PDB entries from 2024-07-17

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