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HT1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1sing1.36Å1.34Å
C1C2doub1.39Å1.38ÅAromatic
C1C6sing1.39Å1.39ÅAromatic
O1C26sing1.43Å1.43Å
C2C3sing1.38Å1.39ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.40Å1.39ÅAromatic
C3H3sing1.08Å1.10Å
C4C5sing1.39Å1.39ÅAromatic
C4C7sing1.48Å1.38ÅAromatic
C5C6doub1.38Å1.39ÅAromatic
C5H5sing1.08Å1.10Å
C6H6sing1.08Å1.10Å
C7N1sing1.37Å1.44ÅAromatic
C7N2doub1.31Å1.44ÅAromatic
N1C8sing1.38Å1.43ÅAromatic
N1HN1sing0.97Å1.02Å
C8C9doub1.41Å1.37ÅAromatic
C8C13sing1.38Å1.37ÅAromatic
C9N2sing1.35Å1.43ÅAromatic
C9C10sing1.40Å1.36ÅAromatic
C10C11doub1.36Å1.40ÅAromatic
C10H10sing1.08Å1.10Å
C11C12sing1.40Å1.38ÅAromatic
C11H11sing1.08Å1.10Å
C12C13doub1.39Å1.39ÅAromatic
C12C14sing1.48Å1.38ÅAromatic
C13H13sing1.08Å1.10Å
C14N3sing1.37Å1.45ÅAromatic
C14N4doub1.31Å1.44ÅAromatic
N3C15sing1.38Å1.42ÅAromatic
N3HN3sing0.97Å1.02Å
C15C16doub1.41Å1.38ÅAromatic
C15C20sing1.39Å1.37ÅAromatic
C16N4sing1.36Å1.42ÅAromatic
C16C17sing1.40Å1.36ÅAromatic
C17C18doub1.37Å1.39ÅAromatic
C17H17sing1.08Å1.10Å
C18C19sing1.39Å1.40ÅAromatic
C18H18sing1.08Å1.10Å
C19C20doub1.38Å1.40ÅAromatic
C19N5sing1.40Å1.43Å
C20H20sing1.08Å1.10Å
N5C21sing1.47Å1.42Å
N5C24sing1.47Å2.43Å
C21C22sing1.53Å1.52Å
C21H211sing1.09Å1.12Å
C21H212sing1.09Å1.11Å
C22N6sing1.47Å1.43Å
C22H221sing1.09Å1.12Å
C22H222sing1.09Å1.11Å
N6C23sing1.47Å2.43Å
N6C25sing1.47Å1.44Å
C23C24sing1.53Å1.54Å
C23H231sing1.09Å1.11Å
C23H232sing1.09Å1.11Å
C24H241sing1.09Å1.12Å
C24H242sing1.09Å1.11Å
C25H251sing1.09Å1.12Å
C25H252sing1.09Å1.12Å
C25H253sing1.09Å1.11Å
C26C27sing1.53Å1.53Å
C26H261sing1.09Å1.12Å
C26H262sing1.09Å1.12Å
C27H271sing1.09Å1.12Å
C27H272sing1.09Å1.12Å
C27H273sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2117.3°119.9°
O1C1C6119.8°119.9°
C1O1C26120.4°106.8°
C2C1C6122.1°120.1°
C1C2C3118.2°120.1°
C1C2H2120.8°119.9°
C1C6C5119.7°120.1°
C1C6H6119.8°119.9°
O1C26C27112.0°109.5°
O1C26H261111.3°109.5°
O1C26H262111.3°109.4°
C3C2H2121.0°120.0°
C2C3C4119.4°119.9°
C2C3H3120.1°120.0°
C4C3H3120.5°120.1°
C3C4C5122.3°119.9°
C3C4C7116.4°120.0°
C5C4C7121.1°120.1°
C4C5C6117.7°119.9°
C4C5H5121.0°120.0°
C4C7N1123.6°125.2°
C4C7N2128.7°125.1°
C6C5H5121.4°120.1°
C5C6H6120.4°120.0°
N1C7N2107.7°109.7°
C7N1C8106.6°107.1°
C7N1HN1126.8°126.4°
C7N2C9106.5°109.8°
C8N1HN1126.6°126.5°
N1C8C9109.5°106.1°
N1C8C13128.6°133.9°
C9C8C13121.6°120.0°
C8C9N2109.4°107.2°
C8C9C10123.8°119.6°
C8C13C12115.2°119.6°
C8C13H13121.7°120.1°
N2C9C10126.2°133.1°
C9C10C11116.0°120.1°
C9C10H10120.7°120.0°
C11C10H10123.3°119.9°
C10C11C12119.8°120.5°
C10C11H11120.6°119.7°
C12C11H11119.6°119.8°
C11C12C13123.4°120.2°
C11C12C14119.0°119.9°
C13C12C14117.5°119.9°
C12C13H13123.1°120.2°
C12C14N3125.5°125.1°
C12C14N4124.8°125.1°
N3C14N4109.7°109.8°
C14N3C15105.4°107.2°
C14N3HN3128.2°126.5°
C14N4C16104.2°109.6°
C15N3HN3126.4°126.4°
N3C15C16108.8°106.3°
N3C15C20127.9°133.9°
C16C15C20121.6°119.8°
C15C16N4111.4°107.2°
C15C16C17121.2°119.6°
C15C20C19118.4°119.7°
C15C20H20119.7°120.1°
N4C16C17127.4°133.2°
C16C17C18117.6°120.0°
C16C17H17120.4°120.0°
C18C17H17122.0°120.0°
C17C18C19122.3°120.6°
C17C18H18118.4°119.7°
C19C18H18119.3°119.7°
C18C19C20118.3°120.3°
C18C19N5117.2°119.8°
C20C19N5124.0°119.9°
C19C20H20121.9°120.1°
C19N5C21116.9°106.7°
C19N5C24150.1°106.7°
C21N5C2491.2°106.9°
N5C21C22111.4°109.7°
N5C21H211111.5°109.4°
N5C21H212111.5°109.5°
N5C24C2333.5°109.7°
N5C24H241152.5°109.4°
N5C24H242152.5°109.4°
C22C21H211111.5°109.4°
C22C21H212111.5°109.5°
C21C22N6111.4°109.7°
C21C22H221111.5°109.5°
C21C22H222111.5°109.4°
H211C21H21298.9°109.4°
N6C22H221111.5°109.5°
N6C22H222111.5°109.4°
C22N6C2390.7°106.9°
C22N6C25109.7°106.7°
H221C22H22298.8°109.4°
C23N6C25149.5°106.8°
N6C23C2433.9°109.7°
N6C23H231152.2°109.4°
N6C23H232152.2°109.4°
N6C25H251109.7°109.4°
N6C25H252112.1°109.5°
N6C25H253112.1°109.4°
C24C23H231152.2°109.5°
C24C23H232152.2°109.4°
C23C24H241152.5°109.5°
C23C24H242152.5°109.4°
H231C23H23244.8°109.5°
H241C24H24244.3°109.4°
H251C25H252112.1°109.5°
H251C25H253112.2°109.4°
H252C25H25398.3°109.5°
C27C26H261111.3°109.5°
C27C26H262111.3°109.5°
C26C27H271112.0°109.4°
C26C27H272111.3°109.5°
C26C27H273111.3°109.5°
H261C26H26299.0°109.5°
H271C27H272111.2°109.4°
H271C27H273111.3°109.4°
H272C27H27399.1°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2C6169.5°179.5°
O1C1C2C3176.8°180.0°
O1C1C2H23.2°0.2°
O1C1C6C5176.3°179.8°
O1C1C6H63.7°0.4°
C1O1C26C27179.3°180.0°
C1O1C26H26155.4°60.0°
C1O1C26H26254.0°60.0°
C2C1O1C263.1°179.9°
C1C2C3H2180.0°179.9°
C1C2C3C45.7°0.1°
C1C2C3H3174.3°179.9°
C2C1C6C57.0°0.7°
C2C1C6H6173.0°179.9°
C6C1O1C26166.7°0.4°
C6C1C2C37.3°0.4°
C6C1C2H2172.7°179.7°
C1C6C5C45.0°0.6°
C1C6C5H6180.0°179.4°
C1C6C5H5175.0°179.7°
O1C26C27H261125.3°120.0°
O1C26C27H262125.3°120.0°
O1C26H261H262117.2°120.0°
O1C26C27H271180.0°180.0°
O1C26C27H27254.8°60.0°
O1C26C27H27354.7°60.1°
C2C3C4H3180.0°179.9°
C2C3C4C54.1°0.1°
C2C3C4C7180.0°180.0°
H2C2C3C4174.3°180.0°
H2C2C3H35.7°0.1°
C3C4C5C7175.7°180.0°
C3C4C5C63.7°0.3°
C3C4C5H5176.3°180.0°
C3C4C7N124.7°140.3°
C3C4C7N2157.3°40.0°
H3C3C4C5175.9°180.0°
H3C3C4C70.0°0.0°
C4C5C6H5180.0°179.7°
C4C5C6H6175.0°180.0°
C5C4C7N1159.3°39.7°
C5C4C7N218.7°140.0°
C7C4C5C6179.4°179.7°
C7C4C5H50.6°0.0°
C4C7N1N2178.3°179.7°
C4C7N1C8176.7°180.0°
C4C7N1HN13.3°0.0°
C4C7N2C9175.9°179.9°
H5C5C6H65.0°0.3°
C7N1C8HN1180.0°180.0°
C7N1C8C92.1°0.0°
C7N1C8C13176.0°180.0°
N1C7N2C95.9°0.4°
N2C7N1C85.0°0.3°
N2C7N1HN1175.1°179.7°
C7N2C9C84.7°0.4°
C7N2C9C10175.8°179.8°
N1C8C9C13174.3°180.0°
N1C8C9N21.6°0.2°
N1C8C9C10173.0°180.0°
N1C8C13C12172.2°180.0°
N1C8C13H137.9°0.0°
HN1N1C8C9177.9°180.0°
HN1N1C8C134.1°0.0°
C8C9N2C10171.1°179.8°
C8C9C10C113.3°0.1°
C8C9C10H10176.7°179.9°
C9C8C13C121.0°0.0°
C9C8C13H13179.0°180.0°
C13C8C9N2172.7°179.8°
C13C8C9C101.4°0.0°
C8C13C12C112.9°0.1°
C8C13C12H13180.0°179.9°
C8C13C12C14178.2°180.0°
N2C9C10C11173.2°179.7°
N2C9C10H106.9°0.4°
C9C10C11H10180.0°180.0°
C9C10C11C125.0°0.1°
C9C10C11H11175.0°180.0°
C10C11C12H11180.0°179.9°
C10C11C12C135.1°0.0°
C10C11C12C14179.7°180.0°
H10C10C11C12175.1°179.9°
H10C10C11H114.9°0.0°
C11C12C13C14175.3°180.0°
C11C12C13H13177.1°180.0°
C11C12C14N3162.9°39.7°
C11C12C14N418.2°140.0°
H11C11C12C13174.9°179.9°
H11C11C12C140.3°0.0°
C13C12C14N321.6°140.3°
C13C12C14N4157.3°40.0°
C14C12C13H131.8°0.0°
C12C14N3N4179.0°179.7°
C12C14N3C15175.4°180.0°
C12C14N3HN34.5°0.0°
C12C14N4C16179.8°179.9°
C14N3C15HN3179.9°180.0°
C14N3C15C167.2°0.0°
C14N3C15C20172.5°180.0°
N3C14N4C161.2°0.4°
N4C14N3C153.6°0.3°
N4C14N3HN3176.5°179.7°
C14N4C16C155.9°0.4°
C14N4C16C17177.9°179.9°
N3C15C16C20166.4°180.0°
N3C15C16N48.5°0.3°
N3C15C16C17175.1°180.0°
N3C15C20C19170.5°180.0°
N3C15C20H209.5°0.0°
HN3N3C15C16172.8°180.0°
HN3N3C15C207.6°0.0°
C15C16N4C17176.2°179.7°
C15C16C17C183.4°0.0°
C15C16C17H17176.5°180.0°
C16C15C20C197.0°0.1°
C16C15C20H20173.0°179.9°
C20C15C16N4174.8°179.7°
C20C15C16C178.7°0.0°
C15C20C19C180.4°0.1°
C15C20C19H20180.0°180.0°
C15C20C19N5170.7°180.0°
N4C16C17C18179.3°179.7°
N4C16C17H170.7°0.4°
C16C17C18H17180.0°179.9°
C16C17C18C193.2°0.1°
C16C17C18H18176.7°179.9°
C17C18C19H18179.9°180.0°
C17C18C19C204.8°0.1°
C17C18C19N5176.5°180.0°
H17C17C18C19176.8°180.0°
H17C17C18H183.3°0.0°
C18C19C20N5171.1°179.9°
C18C19C20H20179.7°179.9°
C18C19N5C21161.5°0.0°
C18C19N5C2439.7°114.0°
H18C18C19C20175.2°179.9°
H18C18C19N53.5°0.0°
C20C19N5C219.7°180.0°
C20C19N5C24149.1°66.0°
N5C19C20H209.2°0.0°
C19N5C21C24169.6°113.9°
C19N5C21C22169.0°175.1°
C19N5C21H21143.8°55.0°
C19N5C21H21265.7°64.8°
C19N5C24C2325.6°175.1°
C19N5C24H24199.8°64.8°
C19N5C24H242150.9°55.0°
N5C21C22H211125.2°120.0°
N5C21C22H212125.3°120.1°
N5C21H211H212117.4°119.9°
N5C21C22N650.7°62.9°
N5C21C22H22174.6°177.0°
N5C21C22H222176.0°57.1°
C21N5C24C23135.6°61.2°
C21N5C24H24199.1°178.7°
C21N5C24H24210.2°58.9°
C24N5C21C2221.3°61.2°
C24N5C21H211146.6°58.9°
C24N5C21H212103.9°178.7°
N5C24C23N655.2°62.9°
N5C24C23H241125.2°120.1°
N5C24C23H242125.2°120.1°
N5C24C23H231179.6°177.0°
N5C24C23H23270.0°57.1°
N5C24H241H242141.3°119.8°
C22C21H211H212117.4°119.9°
C21C22N6H221125.3°120.1°
C21C22N6H222125.3°120.0°
C21C22H221H222117.4°119.9°
C21C22N6C2326.9°61.1°
C21C22N6C25176.3°175.1°
H211C21C22N6175.9°57.2°
H211C21C22H22150.6°63.0°
H211C21C22H22258.8°177.2°
H212C21C22N674.6°177.0°
H212C21C22H221160.1°56.9°
H212C21C22H22250.7°63.0°
N6C22H221H222117.4°119.9°
C22N6C23C25133.2°113.9°
C22N6C23C24126.1°61.2°
C22N6C23H231108.6°178.8°
C22N6C23H2320.8°58.9°
C22N6C25H251180.0°180.0°
C22N6C25H25254.7°59.9°
C22N6C25H25354.7°60.1°
H221C22N6C2398.4°178.7°
H221C22N6C2558.5°64.8°
H222C22N6C23152.2°58.8°
H222C22N6C2551.0°55.1°
N6C23C24H231125.3°120.0°
N6C23C24H232125.2°120.0°
N6C23H231H232141.3°119.9°
N6C23C24H241179.6°177.0°
N6C23C24H24270.1°57.1°
C23N6C25H25150.7°66.0°
C23N6C25H25274.5°173.9°
C23N6C25H253176.1°53.9°
C25N6C23C247.1°175.0°
C25N6C23H231118.2°64.9°
C25N6C23H232132.4°55.0°
N6C25H251H252125.2°120.1°
N6C25H251H253125.3°119.9°
N6C25H252H253118.0°120.0°
C24C23H231H232141.3°119.9°
C23C24H241H242141.5°119.9°
H231C23C24H24154.3°56.9°
H231C23C24H24255.2°62.9°
H232C23C24H24155.2°63.0°
H232C23C24H242164.7°177.1°
H251C25H252H253118.1°120.0°
C27C26H261H262117.1°120.1°
C26C27H271H272125.2°120.0°
C26C27H271H273125.3°120.0°
C26C27H272H273117.2°120.1°
H261C26C27H27154.7°60.0°
H261C26C27H272179.9°60.0°
H261C26C27H27370.6°179.9°
H262C26C27H27154.7°60.0°
H262C26C27H27270.5°180.0°
H262C26C27H273180.0°59.9°
H271C27H272H273117.1°120.0°

225946

PDB entries from 2024-10-09

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