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LI9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C3doub1.40Å1.41ÅAromatic
C1C4sing1.38Å1.40ÅAromatic
C1H1sing1.08Å1.10Å
C2C5sing1.39Å1.39ÅAromatic
C2C6doub1.38Å1.40ÅAromatic
C2H2sing1.08Å1.10Å
C3C6sing1.40Å1.40ÅAromatic
C3C7sing1.48Å1.47ÅAromatic
C4C5doub1.39Å1.39ÅAromatic
C4H4sing1.08Å1.10Å
C5F9sing1.35Å1.33Å
C6H6sing1.08Å1.10Å
C7C13doub1.38Å1.35ÅAromatic
C7C16sing1.47Å1.51ÅAromatic
N10C11sing1.46Å1.46Å
N10C16sing1.35Å1.39ÅAromatic
N10N17sing1.40Å1.40ÅAromatic
C11C20sing1.53Å1.53Å
C11C21sing1.53Å1.53Å
C11H11sing1.09Å1.12Å
C12N17sing1.47Å1.45Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C12H123sing1.09Å1.11Å
C13C14sing1.48Å1.47ÅAromatic
C13N17sing1.37Å1.39ÅAromatic
C14N23doub1.33Å1.34ÅAromatic
C14C26sing1.40Å1.38ÅAromatic
O15C16doub1.22Å1.22Å
C18C21sing1.53Å1.53Å
C18N22sing1.47Å1.46Å
C18H181sing1.09Å1.11Å
C18H182sing1.09Å1.11Å
C19C20sing1.53Å1.52Å
C19N22sing1.47Å1.46Å
C19H191sing1.09Å1.11Å
C19H192sing1.09Å1.11Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.11Å
C21H211sing1.09Å1.11Å
C21H212sing1.09Å1.12Å
N22H22sing1.01Å1.02Å
N23C27sing1.32Å1.34ÅAromatic
C24C26doub1.39Å1.37ÅAromatic
C24N28sing1.32Å1.34ÅAromatic
C24H24sing1.08Å1.10Å
N25C27sing1.38Å1.36Å
N25C29sing1.46Å1.43Å
N25H25sing0.97Å1.02Å
C26H26sing1.08Å1.10Å
C27N28doub1.33Å1.34ÅAromatic
C29C30sing1.51Å1.51Å
C29C31sing1.53Å1.54Å
C29H29sing1.09Å1.11Å
C30C33doub1.38Å1.40ÅAromatic
C30C34sing1.38Å1.40ÅAromatic
C31H311sing1.09Å1.11Å
C31H312sing1.09Å1.11Å
C31H313sing1.09Å1.11Å
C32C35sing1.38Å1.39ÅAromatic
C32C36doub1.38Å1.39ÅAromatic
C32H32sing1.08Å1.10Å
C33C36sing1.38Å1.39ÅAromatic
C33H33sing1.08Å1.10Å
C34C35doub1.38Å1.40ÅAromatic
C34H34sing1.08Å1.10Å
C35H35sing1.08Å1.10Å
C36H36sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C1C4122.1°119.9°
C3C1H1119.4°120.1°
C1C3C6119.4°119.8°
C1C3C7117.8°120.1°
C4C1H1118.6°120.0°
C1C4C5116.9°120.1°
C1C4H4121.8°119.9°
C5C2C6119.5°120.1°
C5C2H2119.8°120.0°
C2C5C4122.9°120.3°
C2C5F9119.8°119.8°
C6C2H2120.7°120.0°
C2C6C3119.3°119.9°
C2C6H6120.3°120.0°
C6C3C7122.9°120.1°
C3C6H6120.4°120.0°
C3C7C13135.6°126.6°
C3C7C16120.1°126.6°
C5C4H4121.3°120.0°
C4C5F9117.3°119.9°
C13C7C16104.3°106.7°
C7C13C14128.3°126.0°
C7C13N17112.5°108.0°
C7C16N10107.2°107.1°
C7C16O15126.3°126.5°
C11N10C16127.2°125.7°
C11N10N17124.2°125.6°
N10C11C20110.1°109.6°
N10C11C21110.6°109.6°
N10C11H11109.1°109.6°
C16N10N17108.5°108.8°
N10C16O15126.4°126.5°
N10N17C12117.3°125.3°
N10N17C13107.4°109.4°
C20C11C21111.7°108.9°
C20C11H11107.9°109.6°
C11C20C19111.3°109.2°
C11C20H201111.5°109.5°
C11C20H202111.5°109.5°
C21C11H11107.3°109.6°
C11C21C18110.3°109.2°
C11C21H211111.9°109.5°
C11C21H212111.9°109.5°
N17C12H121117.3°109.4°
N17C12H122109.4°109.5°
N17C12H123109.4°109.4°
C12N17C13135.0°125.3°
H121C12H122109.3°109.5°
H121C12H123109.4°109.5°
H122C12H123100.8°109.5°
C14C13N17119.2°126.0°
C13C14N23119.2°120.5°
C13C14C26118.8°120.5°
N23C14C26122.0°119.0°
C14N23C27117.4°120.6°
C14C26C24116.7°118.4°
C14C26H26122.0°120.8°
C21C18N22109.1°109.8°
C21C18H181112.3°109.5°
C21C18H182112.3°109.4°
C18C21H211111.9°109.5°
C18C21H212111.9°109.5°
N22C18H181112.3°109.4°
N22C18H182112.3°109.4°
C18N22C19111.2°107.3°
C18N22H22111.5°106.7°
H181C18H18298.1°109.3°
C20C19N22111.0°109.8°
C20C19H191111.7°109.5°
C20C19H192111.7°109.5°
C19C20H201111.5°109.5°
C19C20H202111.6°109.5°
N22C19H191111.6°109.4°
N22C19H192111.6°109.4°
C19N22H22111.6°106.7°
H191C19H19298.8°109.4°
H201C20H20298.9°109.6°
H211C21H21298.5°109.6°
N23C27N25120.3°119.1°
N23C27N28124.4°121.7°
C26C24N28122.0°119.3°
C26C24H24120.1°120.4°
C24C26H26121.3°120.8°
N28C24H24117.9°120.4°
C24N28C27117.5°121.0°
C27N25C29124.6°120.0°
C27N25H25106.8°120.0°
N25C27N28115.3°119.1°
C29N25H25106.9°120.0°
N25C29C30115.9°109.5°
N25C29C31109.9°109.5°
N25C29H29104.1°109.4°
C30C29C31108.0°109.5°
C30C29H29106.2°109.5°
C29C30C33118.3°120.0°
C29C30C34122.5°120.0°
C31C29H29112.8°109.5°
C29C31H311109.8°109.5°
C29C31H312112.0°109.5°
C29C31H313112.0°109.5°
C33C30C34119.1°120.0°
C30C33C36119.5°120.0°
C30C33H33120.8°120.1°
C30C34C35121.0°120.0°
C30C34H34119.6°120.0°
H311C31H312112.1°109.5°
H311C31H313112.1°109.5°
H312C31H31398.4°109.4°
C35C32C36120.2°120.0°
C35C32H32119.8°120.0°
C32C35C34119.3°120.0°
C32C35H35120.1°120.0°
C36C32H32120.0°120.0°
C32C36C33120.9°120.0°
C32C36H36119.5°120.0°
C36C33H33119.7°120.0°
C33C36H36119.7°120.0°
C35C34H34119.4°120.0°
C34C35H35120.6°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C1C4H1179.9°180.0°
C1C3C6C20.1°0.5°
C1C3C6C7179.9°179.7°
C3C1C4C50.1°0.0°
C3C1C4H4180.0°180.0°
C1C3C6H6179.9°179.9°
C1C3C7C1356.6°114.3°
C1C3C7C16123.3°65.8°
C1C4C5C20.0°0.1°
C4C1C3C60.1°0.3°
C4C1C3C7180.0°180.0°
C1C4C5H4180.0°179.9°
C1C4C5F9180.0°180.0°
H1C1C3C6179.9°179.8°
H1C1C3C70.1°0.0°
H1C1C4C5179.9°180.0°
H1C1C4H40.1°0.0°
C5C2C6H2179.9°179.8°
C5C2C6C30.1°0.5°
C2C5C4F9180.0°179.9°
C2C5C4H4180.0°180.0°
C5C2C6H6179.9°180.0°
C2C6C3H6180.0°179.5°
C2C6C3C7180.0°179.8°
C6C2C5C40.0°0.2°
C6C2C5F9180.0°179.8°
H2C2C6C3180.0°179.7°
H2C2C5C4180.0°180.0°
H2C2C5F90.1°0.0°
H2C2C6H60.0°0.2°
C6C3C7C13123.3°66.0°
C6C3C7C1656.8°113.9°
C7C3C6H60.0°0.2°
C3C7C13C16179.9°179.9°
C3C7C16N10180.0°179.9°
C3C7C13C140.1°0.1°
C3C7C13N17180.0°179.8°
C3C7C16O150.1°0.1°
H4C4C5F90.0°0.1°
C13C7C16N100.0°0.0°
C7C13N17N100.0°0.4°
C7C13N17C12173.4°180.0°
C7C13C14N17179.9°179.7°
C7C13C14N23143.5°121.5°
C7C13C14C2636.5°58.8°
C13C7C16O15180.0°180.0°
C7C16N10C11178.1°179.9°
C7C16N10O15180.0°180.0°
C7C16N10N170.0°0.3°
C16C7C13C14180.0°180.0°
C16C7C13N170.0°0.3°
C11N10C16N17178.1°179.7°
N10C11C20C21123.3°119.9°
N10C11C20H11119.0°120.3°
N10C11C21H11118.9°120.2°
C11N10N17C127.1°0.3°
C11N10N17C13178.2°179.9°
C11N10C16O151.9°0.0°
N10C11C21C18174.7°175.5°
N10C11C20C19172.2°175.5°
N10C11C20H20147.0°64.7°
N10C11C20H20262.5°55.5°
N10C11C21H21160.0°55.6°
N10C11C21H21249.4°64.6°
C16N10C11C2039.8°126.0°
C16N10C11C2184.1°114.5°
C16N10C11H11158.1°5.7°
C16N10N17C12174.7°180.0°
C16N10N17C130.0°0.4°
N17N10C11C20142.3°53.6°
N17N10C11C2193.7°65.8°
N17N10C11H1124.1°173.9°
N10N17C12C13172.9°179.6°
N10N17C12H121180.0°86.2°
N10N17C12H12254.8°153.7°
N10N17C12H12354.7°33.7°
N10N17C13C14180.0°179.9°
N17N10C16O15180.0°179.7°
C20C11C21H11118.1°119.9°
C20C11C21C1851.7°55.6°
C11C20C19H201125.3°119.9°
C11C20C19H202125.2°119.9°
C11C20C19N2253.1°61.4°
C11C20C19H191178.4°58.7°
C11C20C19H19272.1°178.6°
C11C20H201H202117.4°120.1°
C20C11C21H211177.0°64.3°
C20C11C21H21273.6°175.5°
C11C21C18H211125.3°119.9°
C11C21C18H212125.3°119.9°
C11C21C18N2258.4°61.4°
C11C21C18H18166.9°58.8°
C11C21C18H182176.4°178.5°
C21C11C20C1948.9°55.6°
C21C11C20H20176.4°175.5°
C21C11C20H202174.2°64.3°
C11C21H211H212117.8°120.2°
H11C11C21C1866.4°64.3°
H11C11C20C1968.8°64.3°
H11C11C20H201165.9°55.6°
H11C11C20H20256.5°175.8°
H11C11C21H21158.9°175.8°
H11C11C21H212168.3°55.6°
N17C12H121H122125.2°120.0°
N17C12H121H123125.3°119.9°
N17C12H122H123115.2°120.0°
C12N17C13C146.6°0.2°
H121C12H122H123115.2°120.0°
H121C12N17C137.1°94.2°
H122C12N17C13132.3°25.8°
H123C12N17C13118.1°145.8°
C13C14N23C26180.0°179.7°
C13C14N23C27180.0°179.7°
C13C14C26C24180.0°180.0°
C13C14C26H260.0°0.0°
N17C13C14N2336.6°58.9°
N17C13C14C26143.4°120.8°
N23C14C26C240.0°0.3°
C14N23C27N25180.0°179.7°
N23C14C26H26179.9°179.7°
C14N23C27N280.1°0.6°
C26C14N23C270.1°0.6°
C14C26C24H26180.0°180.0°
C14C26C24N280.0°0.0°
C14C26C24H24180.0°179.9°
C21C18N22H181125.3°120.2°
C21C18N22H182125.2°120.1°
C21C18H181H182118.2°119.8°
C21C18N22C1964.0°65.7°
C18C21H211H212117.8°120.2°
C21C18N22H2261.3°179.7°
N22C18H181H182118.3°119.8°
C18N22C19C2061.6°65.6°
C18N22C19H22125.3°114.0°
C18N22C19H191173.2°54.5°
C18N22C19H19263.7°174.3°
N22C18C21H211176.4°58.5°
N22C18C21H21266.9°178.7°
H181C18N22C1961.3°54.5°
H181C18C21H21158.4°178.6°
H181C18C21H212167.8°61.1°
H181C18N22H22173.4°59.6°
H182C18N22C19170.8°174.2°
H182C18C21H21151.1°61.6°
H182C18C21H21258.3°58.6°
H182C18N22H2263.9°60.2°
C20C19N22H191125.3°120.1°
C20C19N22H192125.3°120.1°
C20C19H191H192117.6°119.9°
C19C20H201H202117.5°120.1°
C20C19N22H2263.7°179.7°
N22C19H191H192117.5°119.8°
N22C19C20H20172.1°178.7°
N22C19C20H202178.3°58.5°
H191C19C20H20153.1°61.2°
H191C19C20H20256.4°178.6°
H191C19N22H2261.6°59.5°
H192C19C20H201162.6°58.7°
H192C19C20H20253.1°61.5°
H192C19N22H22171.1°60.2°
N23C27N28C240.0°0.3°
N23C27N25N28179.9°179.7°
N23C27N25C295.6°179.8°
N23C27N25H25130.9°0.3°
C26C24N28H24180.0°179.9°
C26C24N28C270.0°0.0°
C24N28C27N25179.9°180.0°
N28C24C26H26180.0°180.0°
H24C24C26H260.0°0.1°
H24C24N28C27180.0°179.9°
C27N25C29H25125.2°180.0°
C27N25C29C3061.9°155.0°
C27N25C29C31175.4°85.0°
C27N25C29H2954.3°35.0°
C29N25C27N28174.3°0.0°
N25C29C30C31123.7°120.0°
N25C29C30H29115.1°119.9°
N25C29C31H29115.7°120.0°
N25C29C30C33158.4°140.0°
N25C29C30C3421.7°40.3°
N25C29C31H311180.0°60.0°
N25C29C31H31254.7°179.9°
N25C29C31H31354.8°60.0°
H25N25C27N2849.0°180.0°
H25N25C29C3063.3°25.0°
H25N25C29C3159.4°95.0°
H25N25C29H29179.6°145.0°
C30C29C31H29117.0°120.0°
C29C30C33C34180.0°179.7°
C30C29C31H31152.7°60.0°
C30C29C31H312178.0°60.1°
C30C29C31H31372.6°179.9°
C29C30C33C36179.9°179.9°
C29C30C33H330.0°0.0°
C29C30C34C35180.0°179.8°
C29C30C34H340.0°0.2°
C31C29C30C3377.9°100.0°
C31C29C30C34102.1°79.7°
C29C31H311H312125.2°120.1°
C29C31H311H313125.2°120.0°
C29C31H312H313118.0°119.9°
H29C29C30C3343.3°20.0°
H29C29C30C34136.7°160.3°
H29C29C31H31164.3°180.0°
H29C29C31H31261.0°59.9°
H29C29C31H313170.5°60.0°
C30C33C36C320.1°0.0°
C30C33C36H33180.0°179.9°
C33C30C34C350.0°0.4°
C33C30C34H34180.0°179.9°
C30C33C36H36179.9°179.9°
C30C34C35C320.0°0.4°
C34C30C33C360.0°0.2°
C34C30C33H33180.0°179.7°
C30C34C35H34180.0°179.6°
C30C34C35H35179.9°179.8°
H311C31H312H313118.0°120.0°
C35C32C36H32180.0°180.0°
C35C32C36C330.0°0.1°
C32C35C34H35180.0°179.8°
C32C35C34H34180.0°180.0°
C35C32C36H36180.0°180.0°
C32C36C33H36180.0°179.9°
C32C36C33H33180.0°180.0°
C36C32C35C340.0°0.1°
C36C32C35H35180.0°180.0°
H32C32C36C33179.9°179.9°
H32C32C35C34180.0°179.9°
H32C32C35H350.0°0.0°
H32C32C36H360.1°0.0°
H33C33C36H360.0°0.1°
H34C34C35H350.0°0.1°

224201

PDB entries from 2024-08-28

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