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STI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C6doub1.38Å1.45ÅAromatic
C1C2sing1.38Å1.44ÅAromatic
C1H11sing1.08Å1.10Å
C6C5sing1.40Å1.46ÅAromatic
C6H61sing1.08Å1.10Å
C5C4doub1.39Å1.45ÅAromatic
C5C7sing1.48Å1.50ÅAromatic
C4N3sing1.32Å1.39ÅAromatic
C4H41sing1.08Å1.10Å
N3C2doub1.32Å1.40ÅAromatic
C2H21sing1.08Å1.10Å
C7C12doub1.40Å1.44ÅAromatic
C7N8sing1.33Å1.38ÅAromatic
C12C11sing1.38Å1.42ÅAromatic
C12H121sing1.08Å1.10Å
C11N10doub1.32Å1.38ÅAromatic
C11H111sing1.08Å1.10Å
N10C9sing1.32Å1.39ÅAromatic
C9N8doub1.32Å1.36ÅAromatic
C9N13sing1.38Å1.40Å
N13C14sing1.40Å1.40Å
N13H131sing0.97Å1.02Å
C14C19doub1.39Å1.47ÅAromatic
C14C15sing1.39Å1.43ÅAromatic
C19C18sing1.38Å1.44ÅAromatic
C19C20sing1.51Å1.55Å
C18C17doub1.38Å1.44ÅAromatic
C18H181sing1.08Å1.10Å
C17C16sing1.39Å1.42ÅAromatic
C17H171sing1.08Å1.10Å
C16C15doub1.39Å1.46ÅAromatic
C16N21sing1.40Å1.44Å
C15H151sing1.08Å1.10Å
N21C22sing1.35Å1.38Å
N21H211sing0.97Å1.02Å
C22C23sing1.48Å1.49Å
C22O29doub1.22Å1.22Å
C23C25doub1.40Å1.46ÅAromatic
C23C29sing1.40Å1.44ÅAromatic
C25C26sing1.38Å1.44ÅAromatic
C25H251sing1.08Å1.10Å
C26C27doub1.38Å1.45ÅAromatic
C26H261sing1.08Å1.10Å
C27C28sing1.38Å1.45ÅAromatic
C27C46sing1.51Å1.53Å
C28C29doub1.38Å1.41ÅAromatic
C28H281sing1.08Å1.10Å
C29H291sing1.08Å1.10Å
C46N48sing1.47Å1.49Å
C46H461sing1.09Å1.11Å
C46H462sing1.09Å1.11Å
N48C53sing1.47Å1.50Å
N48C49sing1.47Å1.52Å
C53C52sing1.53Å1.55Å
C53H531sing1.09Å1.12Å
C53H532sing1.09Å1.11Å
C52N51sing1.47Å1.52Å
C52H521sing1.09Å1.12Å
C52H522sing1.09Å1.12Å
N51C54sing1.47Å1.47Å
N51C50sing1.47Å1.52Å
C54H541sing1.09Å1.12Å
C54H542sing1.09Å1.12Å
C54H543sing1.09Å1.12Å
C50C49sing1.53Å1.56Å
C50H501sing1.09Å1.11Å
C50H502sing1.09Å1.11Å
C49H491sing1.09Å1.12Å
C49H492sing1.09Å1.11Å
C20H201sing1.09Å1.11Å
C20H202sing1.09Å1.11Å
C20H203sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C1C2118.4°119.3°
C6C1H11121.1°120.3°
C1C6C5120.8°118.3°
C1C6H61119.1°120.8°
C2C1H11120.5°120.4°
C1C2N3120.2°121.0°
C1C2H21121.2°119.5°
C5C6H61120.0°120.8°
C6C5C4117.8°118.9°
C6C5C7123.1°120.5°
C4C5C7119.1°120.6°
C5C4N3120.0°120.6°
C5C4H41122.1°119.8°
C5C7C12123.4°120.5°
C5C7N8117.1°120.5°
N3C4H41117.9°119.7°
C4N3C2122.8°121.9°
N3C2H21118.6°119.5°
C12C7N8119.5°119.0°
C7C12C11117.4°118.5°
C7C12H121122.1°120.7°
C7N8C9122.0°120.6°
C11C12H121120.6°120.8°
C12C11N10120.4°119.3°
C12C11H111121.0°120.3°
N10C11H111118.6°120.4°
C11N10C9120.8°121.0°
N10C9N8119.8°121.7°
N10C9N13122.3°119.1°
N8C9N13117.9°119.1°
C9N13C14122.5°120.0°
C9N13H131107.5°120.1°
C14N13H131107.6°120.0°
N13C14C19121.2°120.0°
N13C14C15118.7°120.0°
C19C14C15120.1°119.9°
C14C19C18118.3°120.1°
C14C19C20123.7°120.0°
C14C15C16121.0°119.8°
C14C15H151118.3°120.1°
C18C19C20118.0°120.0°
C19C18C17121.0°120.1°
C19C18H181119.3°119.9°
C19C20H201123.7°109.5°
C19C20H202107.2°109.5°
C19C20H203107.1°109.4°
C17C18H181119.7°120.0°
C18C17C16121.2°120.1°
C18C17H171120.1°119.9°
C16C17H171118.7°120.0°
C17C16C15118.3°120.0°
C17C16N21117.4°120.0°
C15C16N21124.2°120.0°
C16C15H151120.7°120.1°
C16N21C22128.6°120.0°
C16N21H211118.3°120.0°
C22N21H211113.1°120.0°
N21C22C23119.1°120.0°
N21C22O29124.6°120.0°
C23C22O29116.3°120.0°
C22C23C25120.9°120.2°
C22C23C29119.2°120.1°
C25C23C29119.9°119.7°
C23C25C26119.8°119.8°
C23C25H251120.9°120.1°
C23C29C28120.0°119.9°
C23C29H291121.2°120.1°
C26C25H251119.3°120.1°
C25C26C27119.5°120.2°
C25C26H261119.8°119.9°
C27C26H261120.7°119.9°
C26C27C28119.6°120.3°
C26C27C46122.6°119.8°
C28C27C46117.8°119.9°
C27C28C29121.2°120.1°
C27C28H281120.7°119.9°
C27C46N48117.8°109.5°
C27C46H461109.2°109.5°
C27C46H462109.2°109.5°
C29C28H281118.0°119.9°
C28C29H291118.9°120.1°
N48C46H461109.2°109.4°
N48C46H462109.2°109.4°
C46N48C53110.7°106.8°
C46N48C49111.6°106.7°
H461C46H462100.9°109.5°
C53N48C49110.3°106.9°
N48C53C52111.5°109.7°
N48C53H531111.5°109.5°
N48C53H532111.5°109.4°
N48C49C50111.4°109.6°
N48C49H491111.5°109.5°
N48C49H492111.5°109.4°
C52C53H531111.4°109.5°
C52C53H532111.4°109.5°
C53C52N51110.6°109.7°
C53C52H521111.8°109.5°
C53C52H522111.8°109.4°
H531C53H53298.9°109.3°
N51C52H521111.8°109.4°
N51C52H522111.8°109.5°
C52N51C54113.2°106.7°
C52N51C50111.1°106.9°
H521C52H52298.5°109.4°
C54N51C50109.3°106.8°
N51C54H541113.2°109.5°
N51C54H542110.9°109.5°
N51C54H543110.9°109.4°
N51C50C49109.3°109.7°
N51C50H501112.2°109.5°
N51C50H502112.3°109.4°
H541C54H542110.8°109.4°
H541C54H543110.8°109.4°
H542C54H54399.4°109.5°
C49C50H501112.3°109.4°
C49C50H502112.3°109.4°
C50C49H491111.5°109.4°
C50C49H492111.5°109.4°
H501C50H50298.1°109.4°
H491C49H49298.9°109.4°
H201C20H202107.2°109.5°
H201C20H203107.2°109.4°
H202C20H203102.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C1C2H11180.0°179.9°
C1C6C5H61180.0°179.9°
C1C6C5C40.1°0.2°
C1C6C5C7179.8°180.0°
C6C1C2N30.0°0.0°
C6C1C2H21180.0°180.0°
C2C1C6C50.0°0.0°
C2C1C6H61180.0°179.9°
C1C2N3C40.0°0.3°
C1C2N3H21180.0°180.0°
H11C1C6C5179.9°179.9°
H11C1C6H610.1°0.1°
H11C1C2N3180.0°180.0°
H11C1C2H210.0°0.0°
C6C5C4C7179.8°179.8°
C6C5C4N30.0°0.5°
C6C5C4H41180.0°180.0°
C6C5C7C1212.1°140.3°
C6C5C7N8168.1°39.5°
H61C6C5C4179.9°179.9°
H61C6C5C70.2°0.0°
C5C4N3H41180.0°179.5°
C5C4N3C20.0°0.5°
C4C5C7C12167.6°39.9°
C4C5C7N812.1°140.3°
C7C5C4N3179.8°179.7°
C7C5C4H410.2°0.2°
C5C7C12N8179.8°179.8°
C5C7C12C11179.8°179.9°
C5C7C12H1210.2°0.0°
C5C7N8C9179.8°179.6°
C4N3C2H21179.9°179.7°
H41C4N3C2180.0°180.0°
C7C12C11H121180.0°179.9°
C7C12C11N100.1°0.0°
C7C12C11H111179.9°180.0°
C12C7N8C90.0°0.6°
N8C7C12C110.1°0.3°
N8C7C12H121180.0°179.8°
C7N8C9N100.0°0.7°
C7N8C9N13179.8°179.8°
C12C11N10H111180.0°180.0°
C12C11N10C90.1°0.1°
H121C12C11N10180.0°180.0°
H121C12C11H1110.1°0.1°
C11N10C9N80.0°0.4°
C11N10C9N13179.8°180.0°
H111C11N10C9179.9°179.9°
N10C9N8N13179.8°179.6°
N10C9N13C140.2°6.3°
N10C9N13H131125.4°173.7°
N8C9N13C14179.6°174.1°
N8C9N13H13154.3°5.9°
C9N13C14H131125.2°180.0°
C9N13C14C1982.7°147.7°
C9N13C14C1597.7°32.6°
N13C14C19C15179.6°179.7°
N13C14C19C18179.7°180.0°
N13C14C19C200.1°0.0°
N13C14C15C16179.6°179.8°
N13C14C15H1510.4°0.2°
H131N13C14C1942.5°32.3°
H131N13C14C15137.1°147.4°
C14C19C18C20179.8°180.0°
C14C19C18C170.1°0.0°
C14C19C18H181179.9°180.0°
C19C14C15C160.0°0.5°
C19C14C15H151180.0°179.9°
C14C19C20H201180.0°90.1°
C14C19C20H20254.7°30.0°
C14C19C20H20354.8°150.0°
C15C14C19C180.1°0.3°
C15C14C19C20179.7°179.8°
C14C15C16C170.1°0.5°
C14C15C16H151180.0°179.6°
C14C15C16N21179.7°179.8°
C19C18C17H181180.0°180.0°
C19C18C17C160.0°0.0°
C19C18C17H171179.9°179.9°
C18C19C20H2010.3°90.0°
C18C19C20H202125.1°149.9°
C18C19C20H203125.5°30.0°
C20C19C18C17179.7°180.0°
C20C19C18H1810.3°0.0°
C19C20H201H202125.3°120.1°
C19C20H201H203125.2°120.0°
C19C20H202H203112.6°119.9°
C18C17C16H171180.0°179.9°
C18C17C16C150.1°0.2°
C18C17C16N21179.7°180.0°
H181C18C17C16180.0°180.0°
H181C18C17H1710.0°0.1°
C17C16C15N21179.8°179.8°
C17C16C15H151179.9°180.0°
C17C16N21C22179.8°37.1°
C17C16N21H2110.3°142.8°
H171C17C16C15179.8°179.7°
H171C17C16N210.3°0.1°
C15C16N21C220.1°143.1°
C15C16N21H211179.9°36.9°
N21C16C15H1510.3°0.2°
C16N21C22H211180.0°180.0°
C16N21C22C23167.8°175.7°
C16N21C22O2913.0°4.4°
N21C22C23O29179.3°179.9°
N21C22C23C25156.0°180.0°
N21C22C23C2924.6°0.0°
H211N21C22C2312.3°4.2°
H211N21C22O29167.0°175.7°
C22C23C25C29179.4°180.0°
C22C23C25C26179.1°180.0°
C22C23C25H2510.9°0.1°
C22C23C29C28179.2°179.7°
C22C23C29H2910.8°0.0°
O29C22C23C2524.7°0.1°
O29C22C23C29154.7°179.9°
C23C25C26H251180.0°179.9°
C23C25C26C270.1°0.0°
C23C25C26H261179.9°180.0°
C25C23C29C280.2°0.3°
C25C23C29H291179.8°180.0°
C29C23C25C260.3°0.0°
C29C23C25H251179.7°179.9°
C23C29C28C270.0°0.6°
C23C29C28H291180.0°179.7°
C23C29C28H281180.0°179.9°
C25C26C27H261180.0°180.0°
C25C26C27C280.2°0.3°
C25C26C27C46179.1°180.0°
H251C25C26C27180.0°179.9°
H251C25C26H2610.0°0.1°
C26C27C28C46179.3°179.7°
C26C27C28C290.3°0.6°
C26C27C28H281179.8°179.9°
C26C27C46N48129.9°90.0°
C26C27C46H4614.7°30.0°
C26C27C46H462104.8°150.0°
H261C26C27C28179.8°179.7°
H261C26C27C460.9°0.0°
C27C28C29H281180.0°179.5°
C27C28C29H291179.9°179.7°
C28C27C46N4849.4°90.3°
C28C27C46H461174.6°149.7°
C28C27C46H46275.9°29.7°
C46C27C28C29179.0°179.7°
C46C27C28H2810.9°0.2°
C27C46N48H461125.2°120.1°
C27C46N48H462125.3°120.0°
C27C46H461H462115.0°120.0°
C27C46N48C5356.8°180.0°
C27C46N48C49179.8°65.9°
H281C28C29H2910.0°0.3°
N48C46H461H462114.9°119.9°
C46N48C53C49124.1°113.9°
C46N48C53C52179.7°175.1°
C46N48C53H53154.5°64.7°
C46N48C53H53255.0°55.0°
C46N48C49C50179.4°175.1°
C46N48C49H49155.4°64.8°
C46N48C49H49254.1°55.1°
H461C46N48C5368.4°59.9°
H461C46N48C4955.0°174.0°
H462C46N48C53177.9°60.0°
H462C46N48C4954.5°54.0°
N48C53C52H531125.3°120.1°
N48C53C52H532125.3°120.0°
N48C53H531H532117.4°119.8°
N48C53C52N5156.5°62.9°
N48C53C52H52168.9°57.2°
N48C53C52H522178.3°177.0°
C53N48C49C5057.0°61.1°
C53N48C49H49168.2°178.8°
C53N48C49H492177.7°58.9°
C49N48C53C5256.2°61.2°
C49N48C53H531178.6°178.7°
C49N48C53H53269.1°58.9°
N48C49C50N5157.3°62.9°
N48C49C50H491125.2°120.1°
N48C49C50H492125.3°120.0°
N48C49C50H50168.0°177.0°
N48C49C50H502177.4°57.1°
N48C49H491H492117.5°119.9°
C52C53H531H532117.3°119.9°
C53C52N51H521125.3°120.1°
C53C52N51H522125.3°120.1°
C53C52H521H522117.7°119.9°
C53C52N51C54179.6°175.1°
C53C52N51C5057.0°61.2°
H531C53C52N51178.3°177.0°
H531C53C52H52156.4°63.0°
H531C53C52H52253.0°56.9°
H532C53C52N5168.8°57.1°
H532C53C52H521165.9°177.2°
H532C53C52H52256.5°62.9°
N51C52H521H522117.7°119.9°
C52N51C54C50124.3°114.0°
C52N51C54H541180.0°180.0°
C52N51C54H54254.7°60.0°
C52N51C54H54354.7°60.1°
C52N51C50C4957.2°61.2°
C52N51C50H50168.1°178.8°
C52N51C50H502177.5°58.9°
H521C52N51C5455.1°55.0°
H521C52N51C5068.3°58.9°
H522C52N51C5454.3°64.8°
H522C52N51C50177.6°178.8°
N51C54H541H542125.3°120.0°
N51C54H541H543125.3°119.9°
N51C54H542H543116.7°120.0°
C54N51C50C49177.2°175.1°
C54N51C50H50157.5°64.8°
C54N51C50H50251.9°55.1°
C50N51C54H54155.7°66.0°
C50N51C54H54269.6°174.0°
C50N51C54H543179.0°54.0°
N51C50C49H501125.2°120.1°
N51C50C49H502125.3°120.0°
N51C50H501H502118.2°119.9°
N51C50C49H49167.9°177.0°
N51C50C49H492177.4°57.1°
H541C54H542H543116.6°120.0°
C49C50H501H502118.2°119.9°
C50C49H491H492117.4°119.9°
H501C50C49H491166.8°56.9°
H501C50C49H49257.3°62.9°
H502C50C49H49157.3°62.9°
H502C50C49H49252.2°177.2°
H201C20H202H203112.7°120.0°

219140

PDB entries from 2024-05-01

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