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CEU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N11C10sing1.38Å1.46Å
C07N02sing1.47Å1.36Å
C07C06sing1.53Å1.51Å
N02C01sing1.47Å1.27Å
N02C03sing1.47Å1.38Å
C10N09doub1.32Å1.34ÅAromatic
C10N12sing1.32Å1.33ÅAromatic
N09C08sing1.33Å1.34ÅAromatic
C06N05sing1.47Å1.44Å
C03C04sing1.53Å1.51Å
N12C13doub1.33Å1.35ÅAromatic
C08N05sing1.39Å1.49Å
C08C16doub1.39Å1.39ÅAromatic
N05C04sing1.47Å1.45Å
C13C16sing1.39Å1.42ÅAromatic
C13N14sing1.39Å1.46Å
N14C15sing1.46Å1.44Å
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C03H5sing1.09Å1.10Å
C03H6sing1.09Å1.10Å
C04H7sing1.09Å1.10Å
C04H8sing1.09Å1.10Å
C06H9sing1.09Å1.10Å
C06H10sing1.09Å1.10Å
C07H11sing1.09Å1.10Å
C07H12sing1.09Å1.10Å
N11H13sing0.97Å1.00Å
N11H14sing0.97Å1.00Å
N14H15sing0.97Å1.00Å
C15H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C16H19sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N11C10N09118.2°119.1°
N11C10N12120.7°119.1°
C10N11H13109.5°120.0°
C10N11H14109.5°120.0°
N02C07C06112.6°109.4°
C07N02C01111.9°111.0°
C07N02C03117.2°110.9°
N02C07H11108.7°109.5°
N02C07H12108.7°109.5°
C07C06N05113.5°109.4°
C07C06H9108.4°109.5°
C07C06H10108.5°109.5°
C06C07H11108.7°109.5°
C06C07H12108.7°109.5°
C01N02C03112.4°111.0°
N02C01H1109.5°109.5°
N02C01H2109.5°109.5°
N02C01H3109.5°109.5°
N02C03C04118.6°109.3°
N02C03H5107.1°109.5°
N02C03H6107.1°109.5°
N09C10N12121.0°121.7°
C10N09C08122.1°120.8°
C10N12C13120.5°120.8°
N09C08N05118.8°120.5°
N09C08C16118.6°119.1°
C06N05C08123.4°111.0°
C06N05C04109.7°110.9°
N05C06H9108.5°109.5°
N05C06H10108.4°109.4°
C03C04N05112.9°109.4°
C04C03H5107.1°109.5°
C04C03H6107.1°109.5°
C03C04H7108.6°109.5°
C03C04H8108.6°109.5°
N12C13C16119.4°119.1°
N12C13N14120.2°120.5°
N05C08C16122.7°120.4°
C08N05C04126.5°111.0°
C08C16C13118.3°118.4°
C08C16H19120.9°120.7°
N05C04H7108.6°109.5°
N05C04H8108.6°109.5°
C16C13N14120.4°120.4°
C13C16H19120.8°120.9°
C13N14C15119.8°120.0°
C13N14H15106.9°119.9°
C15N14H15106.8°120.1°
N14C15H16109.5°109.5°
N14C15H17109.5°109.5°
N14C15H18109.5°109.5°
H1C01H2109.5°109.4°
H1C01H3109.5°109.5°
H2C01H3109.4°109.4°
H5C03H6109.5°109.5°
H7C04H8109.5°109.5°
H9C06H10109.4°109.4°
H11C07H12109.5°109.5°
H13N11H14109.5°120.0°
H16C15H17109.5°109.5°
H16C15H18109.5°109.4°
H17C15H18109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N11C10N09N12179.9°180.0°
N11C10N09C08179.3°180.0°
N11C10N12C13178.5°180.0°
C10N11H13H14120.0°179.9°
N02C07C06H11120.5°119.9°
N02C07C06H12120.5°120.0°
C07N02C01C03134.2°123.8°
N02C07C06N0554.0°58.4°
C07N02C03C0435.6°59.3°
C07N02C01H1180.0°63.8°
C07N02C01H260.0°56.2°
C07N02C01H360.0°176.2°
C07N02C03H5156.9°60.6°
C07N02C03H685.6°179.3°
N02C07C06H9174.6°178.4°
N02C07C06H1066.6°61.5°
N02C07H11H12118.6°120.0°
C06C07N02C0189.7°176.8°
C06C07N02C0342.2°59.3°
C07C06N05H9120.6°120.0°
C07C06N05H10120.6°120.0°
C07C06N05C08117.6°176.8°
C07C06N05C0455.6°59.3°
C07C06H9H10118.1°120.1°
C06C07H11H12118.6°120.1°
C01N02C03C0496.0°176.8°
N02C01H1H2120.0°120.0°
N02C01H1H3120.0°120.0°
N02C01H2H3120.0°120.0°
C01N02C03H525.3°63.2°
C01N02C03H6142.7°56.9°
C01N02C07H11149.8°56.9°
C01N02C07H1230.8°63.2°
N02C03C04H5121.3°119.9°
N02C03C04H6121.3°119.9°
N02C03C04N0537.2°58.4°
C03N02C01H145.8°60.0°
C03N02C01H274.3°180.0°
C03N02C01H3165.8°60.0°
N02C03H5H6115.8°120.0°
N02C03C04H783.2°178.4°
N02C03C04H8157.7°61.6°
C03N02C07H1178.3°179.3°
C03N02C07H12162.6°60.6°
N09C10N12C131.6°0.0°
C10N09C08N05179.7°180.0°
C10N09C08C160.1°0.2°
N09C10N11H130.0°0.1°
N09C10N11H14120.0°180.0°
N12C10N09C080.8°0.0°
C10N12C13C161.6°0.2°
C10N12C13N14178.6°180.0°
N12C10N11H13179.9°179.9°
N12C10N11H1460.1°0.1°
N09C08N05C0612.0°123.6°
N09C08N05C16179.8°179.8°
N09C08N05C04160.1°0.2°
N09C08C16C130.1°0.4°
N09C08C16H19179.9°179.8°
C06N05C04C0346.2°59.3°
C06N05C08C04172.1°123.8°
C06N05C08C16168.2°56.2°
C06N05C04H774.3°179.3°
C06N05C04H8166.7°60.7°
N05C06H9H10118.1°120.0°
N05C06C07H1166.5°178.3°
N05C06C07H12174.5°61.6°
C03C04N05C08126.8°176.8°
C03C04N05H7120.5°119.9°
C03C04N05H8120.5°120.1°
C04C03H5H6115.9°120.1°
C03C04H7H8118.4°120.1°
N12C13C16C080.7°0.4°
N12C13C16N14179.8°179.8°
N12C13N14C15177.1°180.0°
N12C13N14H1561.5°0.0°
N12C13C16H19179.3°179.8°
N05C08C16C13179.7°179.8°
C08N05C04H7112.7°56.9°
C08N05C04H86.3°63.2°
C08N05C06H93.0°56.8°
C08N05C06H10121.7°63.2°
N05C08C16H190.3°0.0°
C16C08N05C0419.8°180.0°
C08C16C13H19180.0°179.8°
C08C16C13N14179.5°179.8°
N05C04C03H5158.5°61.5°
N05C04C03H684.0°178.4°
N05C04H7H8118.4°120.1°
C04N05C06H9176.2°179.3°
C04N05C06H1065.0°60.7°
C16C13N14C153.1°0.2°
C16C13N14H15118.3°179.8°
C13N14C15H15121.5°180.0°
C13N14C15H16180.0°60.0°
C13N14C15H1760.0°60.0°
C13N14C15H1860.0°179.9°
N14C13C16H190.5°0.0°
N14C15H16H17120.0°120.1°
N14C15H16H18120.0°120.0°
N14C15H17H18120.0°120.0°
H1C01H2H3120.0°120.0°
H5C03C04H738.0°58.4°
H5C03C04H881.0°178.4°
H6C03C04H7155.5°61.7°
H6C03C04H836.4°58.3°
H9C06C07H1154.2°61.6°
H9C06C07H1264.9°58.5°
H10C06C07H11172.9°58.4°
H10C06C07H1253.9°178.5°
H15N14C15H1658.5°119.9°
H15N14C15H17178.5°120.0°
H15N14C15H1861.5°0.0°
H16C15H17H18120.0°119.9°

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PDB entries from 2024-08-14

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