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EAS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C3N1sing1.37Å1.41ÅAromatic
C3C2doub1.34Å1.39ÅAromatic
N1C4sing1.38Å1.41ÅAromatic
C12C13sing1.53Å1.54Å
C12C11sing1.53Å1.53Å
C2C1sing1.51Å1.49Å
C2C9sing1.46Å1.43ÅAromatic
C4C5doub1.39Å1.42ÅAromatic
C4C9sing1.41Å1.42ÅAromatic
C13N3sing1.47Å1.50Å
OC10doub1.21Å1.24Å
C1Csing1.53Å1.57Å
C5C6sing1.38Å1.40ÅAromatic
C9C8doub1.40Å1.39ÅAromatic
C11N2sing1.46Å1.48Å
C11C24sing1.53Å1.54Å
C10N2sing1.35Å1.39Å
C10Csing1.51Å1.54Å
N3C14sing1.47Å1.50Å
N3C23sing1.47Å1.51Å
CNsing1.47Å1.47Å
C14C15sing1.51Å1.49Å
C6C7doub1.39Å1.41ÅAromatic
C24C23sing1.53Å1.54Å
C8C7sing1.38Å1.35ÅAromatic
C16C15doub1.34Å1.38ÅAromatic
C16N4sing1.37Å1.41ÅAromatic
C15C22sing1.46Å1.43ÅAromatic
C7CLsing1.74Å1.74Å
N4C17sing1.38Å1.39ÅAromatic
C22C17doub1.41Å1.42ÅAromatic
C22C21sing1.40Å1.39ÅAromatic
C17C18sing1.39Å1.40ÅAromatic
C21C20doub1.37Å1.36ÅAromatic
C18C19doub1.38Å1.38ÅAromatic
C20C19sing1.39Å1.40ÅAromatic
C20CL1sing1.74Å1.71Å
N1H1sing0.97Å1.00Å
C5H3sing1.08Å1.08Å
C6H4sing1.08Å1.08Å
C8H5sing1.08Å1.08Å
C13H6sing1.09Å1.10Å
C13H7sing1.09Å1.10Å
C21H8sing1.08Å1.08Å
C24H9sing1.09Å1.10Å
C24H10sing1.09Å1.10Å
NH11sing1.01Å1.00Å
NH12sing1.01Å1.00Å
CH14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C14H20sing1.09Å1.10Å
C14H21sing1.09Å1.10Å
C16H22sing1.08Å1.08Å
C18H23sing1.08Å1.08Å
C19H24sing1.08Å1.08Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C3H27sing1.08Å1.08Å
N2H28sing0.97Å1.00Å
N4H29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C3C2109.2°109.9°
C3N1C4108.1°109.9°
C3N1H1125.9°125.0°
N1C3H27125.4°125.1°
C3C2C1131.1°126.5°
C3C2C9107.3°107.0°
C2C3H27125.4°125.0°
N1C4C5131.8°133.5°
N1C4C9107.1°107.1°
C4N1H1126.0°125.0°
C13C12C11107.4°109.3°
C12C13N3109.3°109.5°
C12C13H6109.5°109.5°
C12C13H7109.5°109.5°
C13C12H18110.0°109.5°
C13C12H19110.0°109.5°
C12C11N2106.6°109.5°
C12C11C24107.3°109.1°
C12C11H17110.2°109.6°
C11C12H18110.0°109.5°
C11C12H19110.0°109.5°
C1C2C9121.4°126.5°
C2C1C110.5°109.5°
C2C1H15109.2°109.5°
C2C1H16109.2°109.4°
C2C9C4108.3°106.0°
C2C9C8131.9°134.0°
C5C4C9121.1°119.4°
C4C5C6117.9°119.9°
C4C5H3121.1°120.0°
C4C9C8119.8°120.0°
C13N3C14109.3°111.0°
C13N3C23112.8°111.2°
N3C13H6109.5°109.4°
N3C13H7109.5°109.5°
OC10N2121.9°120.0°
OC10C119.8°120.0°
C1CC10107.6°109.5°
C1CN112.1°109.5°
C1CH14108.4°109.5°
CC1H15109.2°109.5°
CC1H16109.2°109.5°
C5C6C7118.8°120.7°
C6C5H3121.1°120.1°
C5C6H4120.6°119.6°
C9C8C7118.5°119.6°
C9C8H5120.7°120.2°
N2C11C24111.6°109.5°
C11N2C10120.9°120.0°
N2C11H17110.9°109.6°
C11N2H28119.6°120.0°
C11C24C23109.2°109.3°
C11C24H9109.6°109.5°
C11C24H10109.6°109.6°
C24C11H17110.1°109.5°
N2C10C118.2°120.0°
C10N2H28119.5°120.0°
C10CN110.3°109.5°
C10CH14108.7°109.4°
C14N3C23109.5°111.0°
N3C14C15110.9°109.5°
N3C14H20109.1°109.5°
N3C14H21109.1°109.5°
N3C23C24111.1°109.5°
N3C23H25109.1°109.4°
N3C23H26109.1°109.5°
CNH11109.5°111.0°
CNH12109.5°111.0°
NCH14109.7°109.5°
C14C15C16126.9°126.5°
C14C15C22125.9°126.5°
C15C14H20109.1°109.5°
C15C14H21109.1°109.5°
C6C7C8123.9°120.3°
C6C7CL120.6°119.8°
C7C6H4120.6°119.7°
C23C24H9109.5°109.5°
C23C24H10109.5°109.5°
C24C23H25109.1°109.4°
C24C23H26109.1°109.5°
C8C7CL115.5°119.8°
C7C8H5120.7°120.2°
C15C16N4109.2°109.9°
C16C15C22107.1°107.0°
C15C16H22125.4°125.0°
C16N4C17108.3°109.9°
N4C16H22125.4°125.1°
C16N4H29125.9°125.0°
C15C22C17107.7°106.0°
C15C22C21133.2°134.0°
N4C17C22107.6°107.1°
N4C17C18130.2°133.5°
C17N4H29125.8°125.1°
C17C22C21119.0°119.9°
C22C17C18122.1°119.3°
C22C21C20117.2°119.7°
C22C21H8121.4°120.1°
C17C18C19118.4°119.8°
C17C18H23120.8°120.1°
C21C20C19125.5°120.5°
C21C20CL1117.5°119.7°
C20C21H8121.4°120.1°
C18C19C20117.8°120.6°
C19C18H23120.8°120.1°
C18C19H24121.1°119.7°
C19C20CL1116.9°119.7°
C20C19H24121.1°119.7°
H6C13H7109.5°109.5°
H9C24H10109.5°109.5°
H11NH12109.4°111.0°
H15C1H16109.5°109.5°
H18C12H19109.5°109.6°
H20C14H21109.4°109.4°
H25C23H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C3C2H27180.0°179.9°
C3N1C4H1180.0°179.7°
N1C3C2C1175.2°179.8°
N1C3C2C90.9°0.2°
C3N1C4C5178.0°179.7°
C3N1C4C90.6°0.3°
C2C3N1C40.2°0.1°
C3C2C1C9175.6°179.5°
C3C2C9C41.2°0.4°
C3C2C1C119.1°95.4°
C3C2C9C8179.7°180.0°
C2C3N1H1179.8°179.8°
C3C2C1H151.0°144.5°
C3C2C1H16120.7°24.5°
N1C4C9C21.1°0.4°
N1C4C5C9178.4°179.9°
N1C4C5C6178.9°180.0°
N1C4C9C8179.6°179.9°
N1C4C5H31.1°0.0°
C4N1C3H27179.9°180.0°
C13C12C11H18119.7°120.0°
C13C12C11H19119.7°119.9°
C12C13N3H6120.0°120.0°
C12C13N3H7120.0°120.0°
C13C12C11N253.6°62.2°
C13C12C11C2466.2°57.7°
C12C13N3C14178.7°174.1°
C12C13N3C2356.7°61.7°
C12C13H6H7120.0°120.0°
C13C12C11H17174.0°177.6°
C13C12H18H19121.0°120.1°
C11C12C13N362.9°59.2°
C12C11N2C24116.9°119.7°
C12C11N2H17120.0°120.2°
C12C11C24H17119.9°120.0°
C12C11N2C1097.5°85.4°
C12C11C24C2362.6°57.6°
C11C12C13H657.1°179.2°
C11C12C13H7177.2°60.8°
C12C11C24H957.3°62.3°
C12C11C24H10177.4°177.6°
C11C12H18H19121.0°120.1°
C12C11N2H2882.4°94.7°
C1C2C9C4175.3°180.0°
C2C1CH15120.1°120.0°
C2C1CH16120.2°119.9°
C1C2C9C83.8°0.4°
C2C1CC1063.9°175.0°
C2C1CN174.7°65.0°
C2C1CH1453.6°55.0°
C2C1H15H16119.5°119.9°
C1C2C3H274.8°0.1°
C2C9C4C5177.7°179.6°
C2C9C4C8179.3°179.6°
C9C2C1C56.4°85.0°
C2C9C8C7177.7°179.5°
C2C9C8H52.3°0.6°
C9C2C1H15176.6°35.0°
C9C2C1H1663.7°155.0°
C9C2C3H27179.2°179.7°
C4C5C6H3180.0°180.0°
C5C4C9C81.6°0.0°
C4C5C6C70.7°0.0°
C5C4N1H12.0°0.0°
C4C5C6H4179.3°180.0°
C9C4C5C60.5°0.0°
C4C9C8C71.4°0.1°
C9C4N1H1179.4°180.0°
C9C4C5H3179.5°180.0°
C4C9C8H5178.6°179.9°
C13N3C14C23124.0°124.2°
C13N3C14C15175.1°65.8°
C13N3C23C2453.1°61.7°
N3C13H6H7120.1°120.0°
N3C13C12H1856.8°60.8°
N3C13C12H19177.5°179.1°
C13N3C14H2064.6°174.2°
C13N3C14H2154.9°54.3°
C13N3C23H2567.1°58.3°
C13N3C23H26173.4°178.3°
OC10CC173.0°100.0°
OC10N2C111.5°0.0°
OC10N2C179.9°180.0°
OC10CN49.5°20.0°
OC10CH14169.8°139.9°
OC10N2H28178.5°179.9°
C1CC10N2107.1°80.0°
C1CC10N122.5°120.0°
C1CC10H14117.2°120.0°
C1CNH14120.4°120.0°
C1CNH11180.0°176.1°
C1CNH1260.0°60.0°
CC1H15H16119.5°120.0°
C5C6C7H4180.0°180.0°
C5C6C7C80.9°0.0°
C5C6C7CL178.5°180.0°
C9C8C7C60.2°0.0°
C9C8C7H5180.0°180.0°
C9C8C7CL179.6°180.0°
N2C11C24H17123.6°120.2°
C11N2C10H28180.0°179.9°
C11N2C10C178.6°180.0°
N2C11C24C2353.9°62.2°
N2C11C24H9173.8°177.8°
N2C11C24H1066.1°57.8°
N2C11C12H18173.2°177.8°
N2C11C12H1966.1°57.7°
C24C11N2C10145.6°155.0°
C11C24C23N355.6°59.1°
C11C24C23H9120.0°119.9°
C11C24C23H10120.0°120.0°
C11C24H9H10120.1°120.1°
C24C11C12H1853.5°62.3°
C24C11C12H19174.2°177.5°
C11C24C23H2564.6°60.9°
C11C24C23H26175.9°179.2°
C24C11N2H2834.4°24.9°
N2C10CN130.4°160.0°
N2C10CH1410.1°40.0°
C10N2C11H1722.4°34.8°
C10CNH14119.7°120.0°
C10CNH1160.1°63.9°
C10CNH1259.9°60.0°
C10CC1H1556.3°65.0°
C10CC1H16176.0°55.1°
CC10N2H281.3°0.0°
N3C14C15H20120.2°120.0°
N3C14C15H21120.2°120.0°
C14N3C23C24175.1°174.2°
N3C14C15C1675.4°99.7°
N3C14C15C22109.4°80.0°
C14N3C13H658.8°54.1°
C14N3C13H761.3°65.9°
N3C14H20H21119.3°120.0°
C14N3C23H2554.8°65.8°
C14N3C23H2664.7°54.1°
C23N3C14C1560.9°170.0°
N3C23C24H25120.2°120.0°
N3C23C24H26120.3°120.0°
C23N3C13H663.3°178.3°
C23N3C13H7176.6°58.3°
N3C23C24H964.4°60.8°
N3C23C24H10175.6°179.2°
C23N3C14H2059.4°50.0°
C23N3C14H21178.9°70.0°
N3C23H25H26119.3°120.0°
CNH11H12120.0°123.9°
NCC1H1565.1°55.0°
NCC1H1654.5°175.1°
C14C15C16C22175.9°179.8°
C14C15C16N4174.4°179.7°
C14C15C22C17174.4°180.0°
C14C15C22C219.0°0.0°
C15C14H20H21119.3°120.0°
C14C15C16H225.6°0.2°
C6C7C8CL179.5°180.0°
C7C6C5H3179.2°180.0°
C6C7C8H5179.9°179.9°
C23C24H9H10120.1°120.1°
C23C24C11H17177.5°177.6°
C24C23H25H26119.3°120.0°
C8C7C6H4179.1°180.0°
C15C16N4H22180.0°179.9°
C15C16N4C170.9°0.3°
C16C15C22C171.6°0.2°
C16C15C22C21175.0°179.8°
C16C15C14H20164.4°140.3°
C16C15C14H2144.8°20.3°
C15C16N4H29179.1°180.0°
N4C16C15C221.5°0.1°
C16N4C17H29180.0°179.7°
C16N4C17C220.2°0.4°
C16N4C17C18177.6°180.0°
C15C22C17N41.1°0.4°
C15C22C17C21177.2°180.0°
C15C22C17C18178.8°180.0°
C15C22C21C20176.4°179.9°
C15C22C21H83.6°0.1°
C22C15C14H2010.8°40.0°
C22C15C14H21130.3°159.9°
C22C15C16H22178.5°180.0°
CLC7C6H41.5°0.0°
CLC7C8H50.4°0.0°
N4C17C22C18177.7°179.6°
N4C17C22C21176.1°179.6°
N4C17C18C19175.7°179.5°
C17N4C16H22179.1°179.8°
N4C17C18H234.2°0.5°
C17C22C21C200.1°0.0°
C22C17C18C191.4°0.0°
C17C22C21H8179.9°180.0°
C22C17C18H23178.6°180.0°
C22C17N4H29179.8°179.9°
C21C22C17C181.6°0.0°
C22C21C20H8180.0°180.0°
C22C21C20C191.8°0.1°
C22C21C20CL1175.1°180.0°
C17C18C19H23180.0°180.0°
C17C18C19C200.3°0.0°
C17C18C19H24179.7°180.0°
C18C17N4H292.4°0.3°
C21C20C19C182.0°0.1°
C21C20C19CL1176.8°179.9°
C21C20C19H24178.0°180.0°
C18C19C20H24180.0°179.9°
C18C19C20CL1174.9°180.0°
C19C20C21H8178.3°179.9°
C20C19C18H23179.7°179.9°
CL1C20C21H84.9°0.0°
CL1C20C19H245.2°0.1°
H1N1C3H270.1°0.3°
H3C5C6H40.8°0.1°
H6C13C12H18176.8°59.2°
H6C13C12H1962.5°60.9°
H7C13C12H1863.2°179.2°
H7C13C12H1957.5°59.1°
H9C24C11H1762.6°57.7°
H9C24C23H25175.4°179.2°
H9C24C23H2655.9°59.3°
H10C24C11H1757.5°62.4°
H10C24C23H2555.4°59.2°
H10C24C23H2664.1°60.8°
H11NCH1459.6°56.0°
H12NCH14179.6°180.0°
H14CC1H15173.7°175.0°
H14CC1H1666.6°64.9°
H17C11C12H1866.3°57.6°
H17C11C12H1954.3°62.5°
H17C11N2H28157.6°145.1°
H22C16N4H290.9°0.1°
H23C18C19H240.4°0.0°

222415

PDB entries from 2024-07-10

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