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EV6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N9C1sing1.39Å1.34ÅAromatic
C6C1doub1.40Å1.49ÅAromatic
C1C2sing1.39Å1.40ÅAromatic
C2C3doub1.38Å1.40ÅAromatic
C2H2sing1.08Å1.08Å
C4C3sing1.39Å1.39ÅAromatic
C3H3sing1.08Å1.08Å
C5C4doub1.38Å1.42ÅAromatic
C4CL11sing1.74Å1.77Å
C6C5sing1.40Å1.38ÅAromatic
C5H5sing1.08Å1.08Å
N7C6sing1.36Å1.34ÅAromatic
C8N7doub1.31Å1.35ÅAromatic
N10C8sing1.38Å1.34Å
C8N9sing1.37Å1.36ÅAromatic
N9C12sing1.47Å1.50Å
N10HN10sing0.97Å1.00Å
N10HN1Asing0.97Å1.00Å
C15C12sing1.53Å1.52Å
C13C12sing1.53Å1.52Å
C12H12sing1.09Å1.10Å
C13C14sing1.53Å1.52Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C14H14Bsing1.09Å1.10Å
C15C16sing1.51Å1.52Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
N17C16sing1.35Å1.35Å
C16O18doub1.21Å1.22Å
N17C19sing1.47Å1.47Å
N17HN17sing0.97Å1.00Å
C20C19sing1.53Å1.51Å
C19C26sing1.53Å1.53Å
C19H19sing1.09Å1.10Å
C25C20sing1.53Å1.53Å
C20C21sing1.53Å1.54Å
C20H20sing1.09Å1.10Å
C21C22sing1.53Å1.53Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C23C22sing1.53Å1.54Å
C22C28sing1.53Å1.54Å
C22H22sing1.09Å1.10Å
C24C23sing1.53Å1.54Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C25C24sing1.53Å1.52Å
C24C27sing1.53Å1.53Å
C24H24sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C27C26sing1.53Å1.53Å
C26C28sing1.53Å1.54Å
C26H26sing1.09Å1.10Å
C27H27sing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C28H28sing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N9C1C6107.6°106.1°
N9C1C2132.1°133.9°
C1N9C8103.8°107.3°
C1N9C12122.8°126.4°
C6C1C2120.3°120.0°
C1C6C5118.1°119.5°
C1C6N7108.1°107.1°
C1C2C3120.4°119.9°
C1C2H2119.8°120.1°
C3C2H2119.8°120.1°
C2C3C4118.4°120.4°
C2C3H3120.8°119.8°
C4C3H3120.8°119.8°
C3C4C5123.9°120.5°
C3C4CL11118.3°119.8°
C5C4CL11117.7°119.8°
C4C5C6118.8°119.8°
C4C5H5120.6°120.1°
C6C5H5120.5°120.1°
C5C6N7133.8°133.4°
C6N7C8103.3°109.6°
N7C8N10118.6°125.0°
N7C8N9117.2°109.9°
N10C8N9124.3°125.1°
C8N10HN10109.5°120.0°
C8N10HN1A109.5°120.0°
C8N9C12133.2°126.3°
N9C12C15108.4°109.5°
N9C12C13114.3°109.5°
N9C12H12107.8°109.4°
HN10N10HN1A109.4°120.0°
C15C12C13112.0°109.5°
C15C12H12110.3°109.4°
C12C15C16110.2°109.5°
C12C15H15109.2°109.4°
C12C15H15A109.2°109.5°
C13C12H12103.9°109.5°
C12C13C14109.5°109.5°
C12C13H13109.5°109.5°
C12C13H13A109.5°109.5°
C14C13H13109.5°109.5°
C14C13H13A109.5°109.4°
C13C14H14109.5°109.5°
C13C14H14A109.5°109.4°
C13C14H14B109.5°109.5°
H13C13H13A109.5°109.5°
H14C14H14A109.5°109.5°
H14C14H14B109.5°109.4°
H14AC14H14B109.5°109.5°
C16C15H15109.2°109.5°
C16C15H15A109.2°109.5°
C15C16N17122.0°120.0°
C15C16O18116.7°120.0°
H15C15H15A109.7°109.5°
N17C16O18121.2°120.0°
C16N17C19119.3°120.0°
C16N17HN17120.4°120.0°
C19N17HN17120.4°120.0°
N17C19C20109.1°109.5°
N17C19C26114.1°109.5°
N17C19H19105.8°109.4°
C20C19C26107.2°109.5°
C20C19H19112.9°109.5°
C19C20C25110.2°109.4°
C19C20C21107.5°109.5°
C19C20H20110.4°109.5°
C26C19H19107.8°109.5°
C19C26C27113.4°109.4°
C19C26C28108.6°109.5°
C19C26H26106.3°109.5°
C25C20C21109.7°109.5°
C25C20H20108.2°109.5°
C20C25C24112.2°109.5°
C20C25H25108.6°109.4°
C20C25H25A108.5°109.5°
C21C20H20110.8°109.5°
C20C21C22112.4°109.5°
C20C21H21108.5°109.5°
C20C21H21A108.5°109.4°
C22C21H21108.5°109.5°
C22C21H21A108.5°109.5°
C21C22C23107.0°109.5°
C21C22C28106.9°109.5°
C21C22H22113.0°109.5°
H21C21H21A110.4°109.5°
C23C22C28110.4°109.4°
C23C22H22109.6°109.5°
C22C23C24109.2°109.5°
C22C23H23109.6°109.5°
C22C23H23A109.6°109.4°
C28C22H22109.8°109.5°
C22C28C26111.5°109.5°
C22C28H28108.8°109.5°
C22C28H28A108.8°109.5°
C24C23H23109.6°109.5°
C24C23H23A109.6°109.4°
C23C24C25110.8°109.5°
C23C24C27112.2°109.5°
C23C24H24104.7°109.5°
H23C23H23A109.4°109.5°
C25C24C27102.7°109.5°
C25C24H24114.0°109.4°
C24C25H25108.6°109.5°
C24C25H25A108.6°109.5°
C27C24H24112.7°109.5°
C24C27C26111.6°109.5°
C24C27H27108.8°109.5°
C24C27H27A108.8°109.5°
H25C25H25A110.4°109.5°
C27C26C28106.1°109.5°
C27C26H26108.9°109.4°
C26C27H27108.8°109.4°
C26C27H27A108.8°109.4°
C28C26H26113.7°109.5°
C26C28H28108.8°109.5°
C26C28H28A108.8°109.5°
H27C27H27A110.1°109.5°
H28C28H28A110.2°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N9C1C6C2179.3°179.8°
N9C1C2C3178.9°179.7°
N9C1C2H21.0°0.2°
N9C1C6C5179.1°179.8°
N9C1C6N70.8°0.2°
C1N9C8N71.5°0.4°
C1N9C8N10179.5°179.9°
C1N9C8C12176.1°179.6°
C1N9C12C15105.2°120.4°
C1N9C12C13129.1°119.6°
C1N9C12H1214.2°0.5°
C6C1C2C30.2°0.1°
C6C1C2H2179.8°180.0°
C1C6C5C40.2°0.1°
C1C6C5N7179.9°180.0°
C1C6C5H5179.8°180.0°
C1C6N7C80.0°0.0°
C6C1N9C81.3°0.3°
C6C1N9C12177.9°179.9°
C1C2C3H2180.0°179.9°
C1C2C3C40.1°0.1°
C1C2C3H3179.9°179.9°
C2C1C6C50.2°0.0°
C2C1C6N7179.9°180.0°
C2C1N9C8179.5°179.8°
C2C1N9C122.9°0.2°
C2C3C4H3180.0°180.0°
C2C3C4C50.1°0.0°
C2C3C4CL11179.0°179.9°
H2C2C3C4179.9°180.0°
H2C2C3H30.1°0.1°
C3C4C5CL11179.1°179.9°
C3C4C5C60.1°0.1°
C3C4C5H5179.9°180.0°
H3C3C4C5179.9°180.0°
H3C3C4CL111.0°0.1°
C4C5C6H5180.0°179.9°
C4C5C6N7179.9°179.9°
CL11C4C5C6179.0°180.0°
CL11C4C5H51.0°0.1°
C5C6N7C8180.0°179.9°
H5C5C6N70.1°0.0°
C6N7C8N10180.0°180.0°
C6N7C8N90.9°0.3°
N7C8N10N9179.0°179.7°
N7C8N9C12177.6°180.0°
N7C8N10HN100.0°0.1°
N7C8N10HN1A120.0°180.0°
N10C8N9C123.3°0.3°
C8N10HN10HN1A120.0°179.9°
N9C8N10HN10179.1°179.7°
N9C8N10HN1A61.0°0.3°
C8N9C12C1570.3°60.1°
C8N9C12C1355.4°60.0°
C8N9C12H12170.3°180.0°
N9C12C15C13127.1°120.0°
N9C12C15H12117.8°119.9°
N9C12C13H12117.1°120.0°
N9C12C13C1454.0°65.4°
N9C12C13H1366.0°54.6°
N9C12C13H13A174.0°174.6°
N9C12C15C1649.3°66.1°
N9C12C15H15169.3°174.0°
N9C12C15H15A70.6°54.0°
C15C12C13H12119.0°120.0°
C15C12C13C14177.8°174.6°
C15C12C13H1357.8°65.4°
C15C12C13H13A62.2°54.6°
C12C15C16H15120.0°120.0°
C12C15C16H15A120.0°120.0°
C12C15H15H15A119.7°120.0°
C12C15C16N17113.5°175.3°
C12C15C16O1864.2°4.7°
C12C13C14H13120.0°120.0°
C12C13C14H13A120.0°120.0°
C12C13H13H13A120.0°120.1°
C12C13C14H14180.0°55.0°
C12C13C14H14A60.0°65.0°
C12C13C14H14B60.0°175.0°
C13C12C15C16176.4°173.9°
C13C12C15H1563.6°53.9°
C13C12C15H15A56.4°66.1°
H12C12C13C1463.1°54.6°
H12C12C13H13176.8°174.6°
H12C12C13H13A56.9°65.4°
H12C12C15C1668.4°53.9°
H12C12C15H1551.6°66.1°
H12C12C15H15A171.6°173.9°
C14C13H13H13A120.0°120.0°
C13C14H14H14A120.0°120.0°
C13C14H14H14B120.0°120.0°
C13C14H14AH14B120.0°120.0°
H13C13C14H1460.0°175.0°
H13C13C14H14A180.0°55.0°
H13C13C14H14B60.0°65.0°
H13AC13C14H1460.0°65.0°
H13AC13C14H14A60.0°175.0°
H13AC13C14H14B180.0°55.0°
H14C14H14AH14B120.0°120.0°
C16C15H15H15A119.7°120.0°
C15C16N17O18177.7°180.0°
C15C16N17C19179.3°180.0°
C15C16N17HN170.7°0.0°
H15C15C16N17126.5°55.3°
H15C15C16O1855.8°124.6°
H15AC15C16N176.5°64.7°
H15AC15C16O18175.8°115.3°
C16N17C19HN17180.0°180.0°
C16N17C19C20160.9°85.0°
C16N17C19C2679.2°155.0°
C16N17C19H1939.1°35.0°
O18C16N17C193.1°0.0°
O18C16N17HN17176.9°180.0°
N17C19C20C26124.1°120.0°
N17C19C20H19117.4°119.9°
N17C19C26H19117.2°120.0°
N17C19C20C2569.1°60.0°
N17C19C20C21171.4°180.0°
N17C19C20H2050.4°60.0°
N17C19C26C2767.5°60.0°
N17C19C26C28174.8°180.0°
N17C19C26H2652.1°59.9°
HN17N17C19C2019.1°95.0°
HN17N17C19C26100.8°25.0°
HN17N17C19H19140.9°145.0°
C20C19C26H19121.8°120.0°
C19C20C25C21118.1°120.0°
C19C20C25H20120.8°120.0°
C19C20C21H20120.7°120.0°
C19C20C21C2263.3°60.0°
C19C20C21H2156.7°60.0°
C19C20C21H21A176.7°180.0°
C19C20C25C2465.6°60.0°
C19C20C25H25174.4°180.0°
C19C20C25H25A54.4°60.1°
C20C19C26C2753.4°60.0°
C20C19C26C2864.2°60.0°
C20C19C26H26173.1°180.0°
C26C19C20C2555.0°60.0°
C26C19C20C2164.5°60.0°
C26C19C20H20174.5°180.0°
C19C26C28C2260.9°60.0°
C19C26C27C2459.2°60.0°
C19C26C27C28119.1°120.0°
C19C26C27H26118.2°120.0°
C19C26C28H26118.2°120.1°
C19C26C27H27179.2°180.0°
C19C26C27H27A60.8°60.0°
C19C26C28H2859.1°60.0°
C19C26C28H28A179.1°180.0°
H19C19C20C25173.5°180.0°
H19C19C20C2154.0°60.1°
H19C19C20H2067.0°60.0°
H19C19C26C27175.2°180.0°
H19C19C26C2857.6°60.0°
H19C19C26H2665.1°60.0°
C25C20C21H20119.5°120.1°
C25C20C21C2256.5°60.0°
C25C20C21H21176.5°180.0°
C25C20C21H21A63.5°60.0°
C20C25C24C2355.5°60.0°
C20C25C24H25120.0°119.9°
C20C25C24H25A120.0°120.0°
C20C25C24C2764.5°60.0°
C20C25C24H24173.4°180.0°
C20C25H25H25A118.9°120.0°
C20C21C22H21120.0°120.0°
C20C21C22H21A120.0°120.0°
C20C21H21H21A118.8°120.0°
C20C21C22C2361.1°60.0°
C20C21C22C2857.2°60.0°
C20C21C22H22178.1°180.0°
C21C20C25C2452.5°60.0°
C21C20C25H2567.5°60.0°
C21C20C25H25A172.5°180.0°
H20C20C21C22176.0°180.0°
H20C20C21H2164.0°60.0°
H20C20C21H21A56.0°60.0°
H20C20C25C24173.6°180.0°
H20C20C25H2553.6°60.0°
H20C20C25H25A66.4°59.9°
C22C21H21H21A118.8°120.0°
C21C22C23C28116.0°120.0°
C21C22C23H22122.9°120.0°
C21C22C28H22122.9°120.0°
C21C22C23C2461.6°60.0°
C21C22C23H23178.4°180.0°
C21C22C23H23A58.4°60.0°
C21C22C28C2655.6°60.0°
C21C22C28H2864.4°60.0°
C21C22C28H28A175.6°180.0°
H21C21C22C23178.8°180.0°
H21C21C22C2862.8°60.0°
H21C21C22H2258.1°60.0°
H21AC21C22C2358.8°60.0°
H21AC21C22C28177.2°180.0°
H21AC21C22H2261.9°60.0°
C23C22C28H22121.0°120.0°
C22C23C24H23120.0°120.1°
C22C23C24H23A120.0°120.0°
C22C23H23H23A120.1°120.0°
C22C23C24C2560.1°60.0°
C22C23C24C2754.0°60.0°
C22C23C24H24176.6°179.9°
C23C22C28C2660.5°60.0°
C23C22C28H28179.5°180.0°
C23C22C28H28A59.5°60.0°
C28C22C23C2454.4°60.0°
C28C22C23H2365.6°60.0°
C28C22C23H23A174.4°180.0°
C22C28C26C2761.3°60.0°
C22C28C26H28120.0°120.0°
C22C28C26H28A120.0°120.0°
C22C28C26H26179.1°180.0°
C22C28H28H28A119.2°120.0°
H22C22C23C24175.5°180.0°
H22C22C23H2355.5°59.9°
H22C22C23H23A64.5°60.1°
H22C22C28C26178.5°180.0°
H22C22C28H2858.5°60.0°
H22C22C28H28A61.5°60.0°
C24C23H23H23A120.1°120.0°
C23C24C25C27120.0°120.0°
C23C24C25H24117.8°120.0°
C23C24C27H24117.9°120.0°
C23C24C25H2564.5°60.0°
C23C24C25H25A175.5°180.0°
C23C24C27C2658.8°60.0°
C23C24C27H2761.2°60.0°
C23C24C27H27A178.8°180.0°
H23C23C24C25179.9°180.0°
H23C23C24C2766.0°60.0°
H23C23C24H2456.5°60.0°
H23AC23C24C2559.9°60.0°
H23AC23C24C27174.0°180.0°
H23AC23C24H2463.5°60.0°
C25C24C27H24123.1°120.0°
C24C25H25H25A118.9°120.1°
C25C24C27C2660.2°60.0°
C25C24C27H27179.8°180.0°
C25C24C27H27A59.8°60.0°
C27C24C25H25175.5°180.0°
C27C24C25H25A55.5°60.0°
C24C27C26H27120.0°120.0°
C24C27C26H27A120.0°120.0°
C24C27C26C2859.9°60.0°
C24C27C26H26177.4°180.0°
C24C27H27H27A119.1°120.1°
H24C24C25H2553.4°60.0°
H24C24C25H25A66.6°60.0°
H24C24C27C26176.7°180.0°
H24C24C27H2756.7°60.1°
H24C24C27H27A63.2°60.0°
C27C26C28H26119.6°120.0°
C26C27H27H27A119.1°120.0°
C27C26C28H28178.7°180.0°
C27C26C28H28A58.7°60.0°
C28C26C27H2760.1°60.0°
C28C26C27H27A179.9°180.0°
C26C28H28H28A119.2°120.0°
H26C26C27H2762.6°60.0°
H26C26C27H27A57.4°60.0°
H26C26C28H2859.1°60.0°
H26C26C28H28A61.0°60.0°

225946

PDB entries from 2024-10-09

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