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B11

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.46ÅAromatic
C1C6sing1.39Å1.45ÅAromatic
C1H1sing1.08Å1.10Å
C2C3sing1.38Å1.46ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.38Å1.45ÅAromatic
C3H3sing1.08Å1.10Å
C4C5sing1.38Å1.45ÅAromatic
C4H4sing1.08Å1.10Å
C5C6doub1.39Å1.45ÅAromatic
C5C8sing1.51Å1.51Å
C6O7sing1.36Å1.24Å
O7HO7sing0.97Å0.95Å
C8N9sing1.47Å1.47Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.12Å
N9C10sing1.47Å1.47Å
N9HN9sing1.01Å1.02Å
C10C11sing1.53Å1.53Å
C10C15sing1.53Å1.53Å
C10H10sing1.09Å1.12Å
C11C12sing1.53Å1.52Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C12N13sing1.47Å1.48Å
C12H121sing1.09Å1.11Å
C12H122sing1.09Å1.12Å
N13C14sing1.47Å1.48Å
N13S16sing1.66Å1.78Å
C14C15sing1.53Å1.52Å
C14H141sing1.09Å1.11Å
C14H142sing1.09Å1.11Å
C15H151sing1.09Å1.12Å
C15H152sing1.09Å1.11Å
S16N17sing1.66Å1.73Å
S16O18doub1.42Å1.73Å
S16O19doub1.42Å1.72Å
N17C20sing1.40Å1.41Å
N17H17sing0.97Å1.02Å
C20C21doub1.39Å1.46ÅAromatic
C20C25sing1.39Å1.45ÅAromatic
C21C22sing1.39Å1.45ÅAromatic
C21H21sing1.08Å1.10Å
C22C23doub1.39Å1.45ÅAromatic
C22O26sing1.36Å1.34Å
C23C24sing1.38Å1.45ÅAromatic
C23H23sing1.08Å1.10Å
C24C25doub1.38Å1.45ÅAromatic
C24H24sing1.08Å1.10Å
C25H25sing1.08Å1.10Å
O26C27sing1.36Å1.34Å
C27C28doub1.39Å1.45ÅAromatic
C27C32sing1.39Å1.46ÅAromatic
C28C29sing1.38Å1.45ÅAromatic
C28H28sing1.08Å1.10Å
C29C30doub1.38Å1.45ÅAromatic
C29H29sing1.08Å1.10Å
C30C31sing1.39Å1.46ÅAromatic
C30F1sing1.35Å1.49Å
C31C32doub1.38Å1.46ÅAromatic
C31H31sing1.08Å1.10Å
C32H32sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6118.3°120.0°
C2C1H1120.9°120.0°
C1C2C3121.1°120.1°
C1C2H2119.3°120.0°
C6C1H1120.7°120.0°
C1C6C5119.9°119.9°
C1C6O7123.3°120.1°
C3C2H2119.6°120.0°
C2C3C4120.8°120.1°
C2C3H3119.8°120.0°
C4C3H3119.4°119.9°
C3C4C5117.3°120.0°
C3C4H4121.3°120.0°
C5C4H4121.4°119.9°
C4C5C6122.5°119.9°
C4C5C8122.0°120.1°
C6C5C8115.4°120.0°
C5C6O7116.7°120.0°
C5C8N9112.7°109.5°
C5C8H81111.0°109.5°
C5C8H82111.0°109.5°
C6O7HO7123.3°106.8°
N9C8H81111.0°109.4°
N9C8H82111.0°109.5°
C8N9C10117.2°106.7°
C8N9HN9109.4°106.6°
H81C8H8299.3°109.5°
C10N9HN9109.5°106.7°
N9C10C11108.1°109.5°
N9C10C15108.1°109.5°
N9C10H10111.1°109.5°
C11C10C15109.3°109.6°
C11C10H10110.1°109.4°
C10C11C12112.8°109.3°
C10C11H111111.0°109.5°
C10C11H112111.0°109.4°
C15C10H10110.0°109.4°
C10C15C14113.1°109.3°
C10C15H151110.8°109.5°
C10C15H152110.8°109.5°
C12C11H111111.0°109.5°
C12C11H112111.0°109.5°
C11C12N13110.5°108.8°
C11C12H121111.8°109.6°
C11C12H122111.8°109.5°
H111C11H11299.3°109.5°
N13C12H121111.9°109.6°
N13C12H122111.8°109.6°
C12N13C14114.5°118.8°
C12N13S16114.9°120.6°
H121C12H12298.6°109.7°
C14N13S16115.5°120.7°
N13C14C15111.3°108.8°
N13C14H141111.5°109.6°
N13C14H142111.5°109.6°
N13S16N17112.9°107.4°
N13S16O18106.6°105.7°
N13S16O19105.7°105.8°
C15C14H141111.5°109.5°
C15C14H142111.5°109.6°
C14C15H151110.9°109.5°
C14C15H152110.9°109.5°
H141C14H14298.9°109.7°
H151C15H15299.4°109.5°
N17S16O18108.4°105.8°
N17S16O19110.2°105.8°
S16N17C20120.4°120.0°
S16N17H17108.3°120.0°
O18S16O19113.1°125.4°
C20N17H17108.3°120.0°
N17C20C21124.2°120.0°
N17C20C25112.2°120.0°
C21C20C25123.6°120.0°
C20C21C22116.7°119.8°
C20C21H21121.7°120.1°
C20C25C24118.6°120.0°
C20C25H25120.6°120.0°
C22C21H21121.6°120.0°
C21C22C23120.6°120.0°
C21C22O26119.3°120.0°
C23C22O26120.0°120.0°
C22C23C24121.4°120.1°
C22C23H23119.4°120.0°
C22O26C27122.2°106.8°
C24C23H23119.1°119.9°
C23C24C25119.1°120.1°
C23C24H24120.4°119.9°
C25C24H24120.5°120.0°
C24C25H25120.8°119.9°
O26C27C28116.1°120.0°
O26C27C32120.6°120.1°
C28C27C32123.3°119.9°
C27C28C29117.5°120.0°
C27C28H28121.2°120.0°
C27C32C31118.1°120.0°
C27C32H32121.0°120.0°
C29C28H28121.3°120.0°
C28C29C30120.6°120.1°
C28C29H29119.7°119.9°
C30C29H29119.7°120.0°
C29C30C31120.7°120.1°
C29C30F1119.0°120.0°
C31C30F1120.2°120.0°
C30C31C32119.8°120.0°
C30C31H31120.2°120.0°
C32C31H31120.0°120.0°
C31C32H32120.9°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°180.0°
C1C2C3H2180.0°180.0°
C1C2C3C40.8°0.1°
C1C2C3H3179.3°179.9°
C2C1C6C50.3°0.2°
C2C1C6O7177.5°180.0°
C6C1C2C30.5°0.0°
C6C1C2H2179.5°180.0°
C1C6C5C41.0°0.6°
C1C6C5O7178.0°179.7°
C1C6C5C8174.8°180.0°
C1C6O7HO7180.0°90.0°
H1C1C2C3179.5°180.0°
H1C1C2H20.5°0.0°
H1C1C6C5179.7°179.7°
H1C1C6O72.5°0.0°
C2C3C4H3180.0°179.8°
C2C3C4C50.2°0.4°
C2C3C4H4179.8°180.0°
H2C2C3C4179.2°179.9°
H2C2C3H30.7°0.1°
C3C4C5H4180.0°179.6°
C3C4C5C60.7°0.7°
C3C4C5C8174.7°179.9°
H3C3C4C5179.9°179.7°
H3C3C4H40.2°0.2°
C4C5C6C8175.7°179.4°
C4C5C6O7177.0°179.7°
C4C5C8N989.2°100.0°
C4C5C8H81145.5°20.0°
C4C5C8H8236.0°140.0°
H4C4C5C6179.3°179.8°
H4C4C5C85.2°0.3°
C5C6O7HO72.1°90.3°
C6C5C8N995.0°79.4°
C6C5C8H8130.2°160.6°
C6C5C8H82139.7°40.6°
C8C5C6O77.3°0.3°
C5C8N9H81125.2°120.0°
C5C8N9H82125.3°120.0°
C5C8H81H82116.9°120.0°
C5C8N9C10170.8°180.0°
C5C8N9HN963.9°66.3°
N9C8H81H82116.9°120.0°
C8N9C10HN9125.3°113.7°
C8N9C10C11177.7°155.0°
C8N9C10C1564.1°84.9°
C8N9C10H1056.8°35.0°
H81C8N9C1063.9°60.0°
H81C8N9HN961.3°173.8°
H82C8N9C1045.6°60.0°
H82C8N9HN9170.9°53.8°
N9C10C11C15117.5°120.0°
N9C10C11H10121.6°120.0°
N9C10C15H10121.6°120.0°
N9C10C11C12171.2°178.6°
N9C10C11H11145.9°58.6°
N9C10C11H11263.5°61.5°
N9C10C15C14169.5°178.6°
N9C10C15H15165.2°61.5°
N9C10C15H15244.2°58.7°
HN9N9C10C1152.4°41.2°
HN9N9C10C15170.7°161.3°
HN9N9C10H1068.5°78.7°
C11C10C15H10121.0°120.0°
C10C11C12H111125.3°120.0°
C10C11C12H112125.3°119.9°
C10C11H111H112116.8°120.0°
C10C11C12N1354.9°54.6°
C10C11C12H121179.8°65.2°
C10C11C12H12270.4°174.4°
C11C10C15C1452.0°61.3°
C11C10C15H151177.3°58.6°
C11C10C15H15273.3°178.7°
C15C10C11C1253.7°61.3°
C15C10C11H11171.6°178.7°
C15C10C11H112179.0°58.6°
C10C15C14N1351.9°54.6°
C10C15C14H151125.2°119.9°
C10C15C14H152125.3°120.0°
C10C15C14H141177.1°65.2°
C10C15C14H14273.4°174.4°
C10C15H151H152116.7°120.1°
H10C10C11C1267.2°58.7°
H10C10C11H111167.5°61.3°
H10C10C11H11258.1°178.6°
H10C10C15C1468.9°58.7°
H10C10C15H15156.4°178.6°
H10C10C15H152165.8°61.3°
C12C11H111H112116.9°120.1°
C11C12N13H121125.2°119.8°
C11C12N13H122125.3°119.7°
C11C12H121H122117.7°120.2°
C11C12N13C1454.6°53.6°
C11C12N13S16168.1°126.4°
H111C11C12N1370.4°174.6°
H111C11C12H12154.9°54.7°
H111C11C12H122164.4°65.6°
H112C11C12N13179.8°65.3°
H112C11C12H12154.5°174.9°
H112C11C12H12254.9°54.5°
N13C12H121H122117.8°120.5°
C12N13C14S16137.0°180.0°
C12N13C14C1553.2°53.6°
C12N13C14H141178.4°66.1°
C12N13C14H14272.0°173.4°
C12N13S16N1760.8°90.0°
C12N13S16O1858.1°157.4°
C12N13S16O19178.7°22.6°
H121C12N13C14179.9°66.1°
H121C12N13S1642.9°113.8°
H122C12N13C1470.6°173.4°
H122C12N13S1666.6°6.7°
N13C14C15H141125.2°119.8°
N13C14C15H142125.3°119.8°
N13C14H141H142117.5°120.4°
N13C14C15H151177.1°65.3°
N13C14C15H15273.4°174.6°
C14N13S16N17162.4°90.0°
C14N13S16O1878.7°22.6°
C14N13S16O1941.9°157.4°
S16N13C14C15169.8°126.4°
S16N13C14H14144.6°113.8°
S16N13C14H14265.0°6.6°
N13S16N17O18117.8°112.5°
N13S16N17O19117.9°112.6°
N13S16O18O19115.7°123.1°
N13S16N17C2050.9°65.0°
N13S16N17H17176.1°115.0°
C15C14H141H142117.4°120.3°
C14C15H151H152116.8°120.1°
H141C14C15H15157.7°174.9°
H141C14C15H15251.8°54.8°
H142C14C15H15151.8°54.5°
H142C14C15H152161.3°65.6°
N17S16O18O19122.5°123.2°
S16N17C20H17125.2°180.0°
S16N17C20C215.2°135.3°
S16N17C20C25176.5°45.0°
O18S16N17C20168.7°47.6°
O18S16N17H1766.0°132.4°
O19S16N17C2067.0°177.6°
O19S16N17H1758.2°2.4°
N17C20C21C25178.1°179.7°
N17C20C21C22177.9°179.8°
N17C20C21H212.1°0.3°
N17C20C25C24179.1°180.0°
N17C20C25H250.9°0.0°
H17N17C20C21120.0°44.7°
H17N17C20C2558.3°135.0°
C20C21C22H21179.9°179.5°
C20C21C22C231.0°0.5°
C20C21C22O26175.1°179.7°
C21C20C25C240.8°0.3°
C21C20C25H25179.3°179.8°
C25C20C21C220.2°0.5°
C25C20C21H21179.8°180.0°
C20C25C24C230.8°0.0°
C20C25C24H25180.0°180.0°
C20C25C24H24179.1°180.0°
C21C22C23O26176.2°179.8°
C21C22C23C241.0°0.2°
C21C22C23H23179.0°179.8°
C21C22O26C27162.3°174.7°
H21C21C22C23178.9°180.0°
H21C21C22O264.9°0.2°
C22C23C24H23180.0°179.9°
C22C23C24C250.0°0.0°
C22C23C24H24180.0°180.0°
C23C22O26C2713.9°5.5°
O26C22C23C24175.2°180.0°
O26C22C23H234.9°0.0°
C22O26C27C28116.3°93.4°
C22O26C27C3262.7°86.9°
C23C24C25H24180.0°180.0°
C23C24C25H25179.2°180.0°
H23C23C24C25180.0°179.9°
H23C23C24H240.0°0.1°
H24C24C25H250.8°0.0°
O26C27C28C32178.9°179.7°
O26C27C28C29178.4°180.0°
O26C27C28H281.6°0.0°
O26C27C32C31178.4°179.8°
O26C27C32H321.6°0.2°
C27C28C29H28180.0°180.0°
C27C28C29C300.0°0.0°
C27C28C29H29180.0°180.0°
C28C27C32C310.5°0.5°
C28C27C32H32179.5°179.9°
C32C27C28C290.6°0.2°
C32C27C28H28179.4°179.8°
C27C32C31C300.1°0.5°
C27C32C31H32180.0°179.6°
C27C32C31H31179.9°179.7°
C28C29C30H29180.0°179.9°
C28C29C30C310.6°0.1°
C28C29C30F1176.3°179.9°
H28C28C29C30180.0°179.9°
H28C28C29H290.0°0.0°
C29C30C31F1176.8°180.0°
C29C30C31C320.6°0.2°
C29C30C31H31179.4°180.0°
H29C29C30C31179.4°180.0°
H29C29C30F13.7°0.0°
C30C31C32H31180.0°179.8°
C30C31C32H32179.8°180.0°
F1C30C31C32176.1°179.8°
F1C30C31H313.9°0.0°
H31C31C32H320.2°0.2°

223790

PDB entries from 2024-08-14

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