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MQR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10C11sing1.53Å1.52Å
C10C14sing1.53Å1.51Å
C11N3sing1.47Å1.48Å
C14C13sing1.53Å1.54Å
N1C7doub1.31Å1.35ÅAromatic
N1C6sing1.34Å1.35ÅAromatic
C7C8sing1.40Å1.38ÅAromatic
C4C6doub1.41Å1.38ÅAromatic
C4C3sing1.36Å1.38ÅAromatic
C6C5sing1.42Å1.42ÅAromatic
C8N2doub1.31Å1.36ÅAromatic
C3C2doub1.41Å1.40ÅAromatic
C5N2sing1.34Å1.35ÅAromatic
C5C1doub1.40Å1.40ÅAromatic
N3C12sing1.47Å1.47Å
N3C9sing1.35Å1.39Å
C2C1sing1.38Å1.39ÅAromatic
C2C9sing1.48Å1.48Å
C13C12sing1.53Å1.55Å
C13C15sing1.53Å1.53Å
C9O1doub1.21Å1.23Å
C1H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
C4H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C8H5sing1.08Å1.08Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C10C14111.4°109.3°
C10C11N3114.3°108.8°
C11C10H6109.0°109.5°
C11C10H7109.0°109.5°
C10C11H8108.2°109.6°
C10C11H9108.2°109.6°
C10C14C13107.9°109.6°
C14C10H6109.0°109.5°
C14C10H7109.0°109.5°
C10C14H13109.9°109.5°
C10C14H14109.9°109.5°
C11N3C12112.5°118.8°
C11N3C9126.3°120.6°
N3C11H8108.2°109.6°
N3C11H9108.3°109.6°
C14C13C12108.5°109.3°
C14C13C15111.3°109.5°
C14C13H12107.9°109.5°
C13C14H13109.8°109.5°
C13C14H14109.8°109.4°
C7N1C6115.3°119.8°
N1C7C8122.3°120.7°
N1C7H4118.8°119.6°
N1C6C4118.5°120.9°
N1C6C5122.7°119.5°
C7C8N2123.1°120.6°
C8C7H4118.8°119.6°
C7C8H5118.5°119.7°
C6C4C3121.8°120.1°
C4C6C5118.8°119.6°
C6C4H3119.1°119.9°
C4C3C2119.9°120.8°
C4C3H2120.1°119.6°
C3C4H3119.1°119.9°
C6C5N2120.9°119.6°
C6C5C1119.4°119.5°
C8N2C5115.6°119.8°
N2C8H5118.5°119.7°
C3C2C1119.3°120.5°
C3C2C9115.0°119.7°
C2C3H2120.1°119.6°
N2C5C1119.7°120.9°
C5C1C2120.7°119.4°
C5C1H1119.7°120.3°
C12N3C9121.3°120.6°
N3C12C13108.8°108.8°
N3C12H10109.6°109.6°
N3C12H11109.6°109.6°
N3C9C2121.0°120.0°
N3C9O1124.4°120.0°
C1C2C9125.4°119.7°
C2C1H1119.6°120.3°
C2C9O1114.4°120.0°
C12C13C15113.4°109.5°
C13C12H10109.6°109.6°
C13C12H11109.6°109.7°
C12C13H12107.8°109.5°
C15C13H12107.9°109.5°
C13C15H15109.5°109.5°
C13C15H16109.5°109.5°
C13C15H17109.5°109.5°
H6C10H7109.4°109.5°
H8C11H9109.5°109.7°
H10C12H11109.5°109.6°
H13C14H14109.5°109.4°
H15C15H16109.4°109.5°
H15C15H17109.5°109.4°
H16C15H17109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C10C14H6120.3°119.9°
C11C10C14H7120.3°120.0°
C10C11N3H8120.7°119.8°
C10C11N3H9120.7°119.8°
C11C10C14C1355.3°61.3°
C10C11N3C1251.3°53.6°
C10C11N3C9129.8°126.4°
C11C10H6H7119.1°120.1°
C10C11H8H9117.8°120.4°
C11C10C14H13175.0°178.6°
C11C10C14H1464.4°58.7°
C14C10C11N350.2°54.6°
C10C14C13H13119.7°120.0°
C10C14C13H14119.7°120.1°
C10C14C13C1262.5°61.4°
C10C14C13C15172.1°178.7°
C14C10H6H7119.1°120.1°
C14C10C11H870.5°65.2°
C14C10C11H9171.0°174.4°
C10C14C13H1254.0°58.6°
C10C14H13H14120.8°120.0°
C11N3C12C9178.9°180.0°
C11N3C9C25.7°3.7°
C11N3C12C1357.2°53.6°
C11N3C9O1179.7°176.2°
N3C11C10H670.1°65.3°
N3C11C10H7170.5°174.6°
N3C11H8H9117.8°120.4°
C11N3C12H1062.7°66.2°
C11N3C12H11177.1°173.5°
C14C13C12N363.7°54.6°
C14C13C12C15124.1°120.0°
C14C13C12H12116.5°120.0°
C14C13C15H12118.1°120.1°
C13C14C10H665.0°58.6°
C13C14C10H7175.6°178.7°
C14C13C12H1056.2°65.2°
C14C13C12H11176.5°174.4°
C13C14H13H14120.7°119.9°
C14C13C15H15180.0°179.9°
C14C13C15H1660.0°60.1°
C14C13C15H1760.0°59.9°
N1C7C8H4180.0°180.0°
C7N1C6C4179.4°180.0°
C7N1C6C50.2°0.2°
N1C7C8N21.2°0.6°
N1C7C8H5178.8°180.0°
C6N1C7C81.1°0.0°
N1C6C4C5179.3°179.8°
N1C6C4C3179.7°180.0°
N1C6C5N21.4°0.1°
N1C6C5C1179.7°179.7°
N1C6C4H30.3°0.3°
C6N1C7H4178.9°180.0°
C7C8N2H5180.0°179.4°
C7C8N2C50.1°0.9°
C6C4C3H3180.0°179.7°
C6C4C3C23.2°0.0°
C4C6C5N2179.4°179.7°
C4C6C5C10.4°0.4°
C6C4C3H2176.9°180.0°
C3C4C6C51.0°0.2°
C4C3C2H2180.0°179.9°
C4C3C2C14.7°0.0°
C4C3C2C9178.2°179.9°
C6C5N2C81.3°0.7°
C6C5N2C1179.0°179.8°
C6C5C1C22.1°0.5°
C6C5C1H1178.0°179.7°
C5C6C4H3179.0°179.9°
C8N2C5C1179.8°179.2°
N2C8C7H4178.8°179.4°
C3C2C1C54.2°0.2°
C3C2C9N353.9°129.0°
C3C2C1C9172.8°180.0°
C3C2C9O1121.2°51.2°
C3C2C1H1175.9°180.0°
C2C3C4H3176.8°179.7°
N2C5C1C2179.0°179.7°
N2C5C1H11.0°0.1°
C5N2C8H5180.0°179.7°
C5C1C2H1180.0°179.8°
C5C1C2C9177.0°179.8°
C12N3C9C2175.6°176.2°
N3C12C13H10119.9°119.8°
N3C12C13H11119.9°119.8°
N3C12C13C15172.2°174.6°
C12N3C9O11.0°3.9°
C12N3C11H869.4°66.2°
C12N3C11H9172.0°173.3°
N3C12H10H11120.3°120.2°
N3C12C13H1252.9°65.4°
N3C9C2C1133.0°51.0°
N3C9C2O1175.1°179.9°
C9N3C12C13123.9°126.4°
C9N3C11H8109.5°113.9°
C9N3C11H99.1°6.6°
C9N3C12H10116.2°113.8°
C9N3C12H114.0°6.4°
C1C2C9O151.9°128.9°
C1C2C3H2175.3°180.0°
C9C2C1H13.0°0.0°
C9C2C3H21.8°0.0°
C12C13C15H12119.2°120.1°
C13C12H10H11120.3°120.5°
C12C13C14H13177.8°178.6°
C12C13C14H1457.3°58.7°
C12C13C15H1557.4°60.0°
C12C13C15H16177.4°180.0°
C12C13C15H1762.6°60.0°
C15C13C12H1067.9°54.8°
C15C13C12H1152.3°65.6°
C15C13C14H1352.4°58.6°
C15C13C14H1468.1°61.3°
C13C15H15H16120.0°120.1°
C13C15H15H17120.0°120.0°
C13C15H16H17120.0°120.0°
H2C3C4H33.1°0.3°
H4C7C8H51.2°0.0°
H6C10C11H8169.2°174.9°
H6C10C11H950.6°54.5°
H6C10C14H1354.7°61.5°
H6C10C14H14175.3°178.6°
H7C10C11H849.8°54.8°
H7C10C11H968.8°65.6°
H7C10C14H1364.7°58.7°
H7C10C14H1455.9°61.3°
H10C12C13H12172.8°174.9°
H11C12C13H1267.0°54.5°
H12C13C14H1365.8°61.4°
H12C13C14H14173.7°178.7°
H12C13C15H1561.8°60.1°
H12C13C15H1658.1°59.9°
H12C13C15H17178.1°179.9°
H15C15H16H17120.0°120.0°

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PDB entries from 2024-06-12

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