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D66

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1sing1.43Å1.43Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
N1C7sing1.47Å1.47Å
N1HN1sing1.01Å1.00Å
N1HN1Asing1.01Å1.00Å
C2O1sing1.36Å1.40Å
C17C2doub1.39Å1.38ÅAromatic
C3C2sing1.39Å1.38ÅAromatic
N2C10sing1.47Å1.47Å
N2C9sing1.35Å1.30Å
N2HN2sing0.97Å1.00Å
O2C8sing1.43Å1.43Å
O2HO2sing0.97Å0.95Å
C4C3doub1.38Å1.41ÅAromatic
C3H3sing1.08Å1.08Å
C9O3doub1.21Å1.25Å
C5C4sing1.38Å1.39ÅAromatic
C4H4sing1.08Å1.08Å
C15O4doub1.21Å1.26Å
C6C5sing1.51Å1.52Å
C5C16doub1.38Å1.40ÅAromatic
C15O5sing1.34Å1.33Å
O5HO5sing0.97Å0.95Å
C7C6sing1.53Å1.52Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C8C7sing1.53Å1.52Å
C7H7sing1.09Å1.10Å
C8C9sing1.51Å1.54Å
C8H8sing1.09Å1.10Å
C11C10sing1.53Å1.53Å
C10C15sing1.51Å1.51Å
C10H10sing1.09Å1.10Å
C12C11sing1.53Å1.53Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C14C12sing1.53Å1.52Å
C12C13sing1.53Å1.53Å
C12H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C13H13Bsing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C14H14Bsing1.09Å1.10Å
C16C17sing1.38Å1.41ÅAromatic
C16H16sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1H1109.5°109.5°
O1C1H1A109.5°109.5°
O1C1H1B109.5°109.5°
C1O1C2121.7°117.0°
H1C1H1A109.5°109.5°
H1C1H1B109.5°109.4°
H1AC1H1B109.5°109.5°
C7N1HN1109.5°111.0°
C7N1HN1A109.5°111.0°
N1C7C6109.1°109.4°
N1C7C8112.0°109.5°
N1C7H7106.9°109.4°
HN1N1HN1A109.5°111.0°
O1C2C17122.0°120.1°
O1C2C3120.0°120.0°
C17C2C3118.0°119.9°
C2C17C16121.3°119.9°
C2C17H17119.3°120.1°
C2C3C4121.7°119.9°
C2C3H3119.1°120.1°
C10N2C9116.7°120.0°
C10N2HN2121.7°120.0°
N2C10C11110.2°109.5°
N2C10C15111.3°109.5°
N2C10H10107.4°109.4°
C9N2HN2121.6°120.0°
N2C9O3118.8°120.0°
N2C9C8118.0°120.0°
C8O2HO2109.5°114.0°
O2C8C7111.8°109.5°
O2C8C9112.4°109.5°
O2C8H8105.2°109.5°
C4C3H3119.2°120.0°
C3C4C5120.0°120.1°
C3C4H4120.0°119.9°
O3C9C8123.3°120.0°
C5C4H4120.0°120.0°
C4C5C6118.4°120.0°
C4C5C16118.9°120.1°
O4C15O5118.8°120.0°
O4C15C10123.9°120.0°
C6C5C16122.7°119.9°
C5C6C7116.2°109.5°
C5C6H6107.3°109.5°
C5C6H6A107.3°109.5°
C5C16C17120.0°120.0°
C5C16H16120.0°120.0°
C15O5HO5109.5°117.0°
O5C15C10117.2°120.0°
C7C6H6107.3°109.5°
C7C6H6A107.3°109.4°
C6C7C8105.9°109.5°
C6C7H7112.9°109.5°
H6C6H6A111.5°109.5°
C8C7H7110.0°109.5°
C7C8C9107.7°109.5°
C7C8H8110.1°109.5°
C9C8H8109.6°109.5°
C11C10C15108.5°109.5°
C11C10H10110.3°109.4°
C10C11C12114.5°109.5°
C10C11H11107.8°109.4°
C10C11H11A107.8°109.5°
C15C10H10109.2°109.5°
C12C11H11107.8°109.5°
C12C11H11A107.8°109.5°
C11C12C14106.1°109.5°
C11C12C13113.2°109.5°
C11C12H12110.5°109.5°
H11C11H11A111.0°109.5°
C14C12C13112.8°109.5°
C14C12H12110.9°109.5°
C12C14H14109.5°109.5°
C12C14H14A109.5°109.5°
C12C14H14B109.5°109.4°
C13C12H12103.5°109.5°
C12C13H13109.5°109.4°
C12C13H13A109.5°109.5°
C12C13H13B109.5°109.5°
H13C13H13A109.4°109.5°
H13C13H13B109.5°109.5°
H13AC13H13B109.5°109.5°
H14C14H14A109.5°109.5°
H14C14H14B109.5°109.5°
H14AC14H14B109.4°109.5°
C17C16H16120.0°120.0°
C16C17H17119.3°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1H1H1A120.0°120.0°
O1C1H1H1B120.0°120.0°
O1C1H1AH1B120.0°120.0°
C1O1C2C1711.6°0.3°
C1O1C2C3167.3°180.0°
H1C1H1AH1B120.0°120.0°
H1C1O1C2180.0°60.0°
H1AC1O1C260.0°180.0°
H1BC1O1C260.0°59.9°
C7N1HN1HN1A120.0°123.9°
N1C7C8O227.7°65.0°
N1C7C6C590.6°65.0°
N1C7C6C8120.7°120.0°
N1C7C6H7118.7°119.9°
N1C7C6H629.4°55.0°
N1C7C6H6A149.4°175.0°
N1C7C8H7118.8°120.0°
N1C7C8C9151.6°55.0°
N1C7C8H889.0°175.0°
HN1N1C7C6180.0°60.0°
HN1N1C7C863.0°60.0°
HN1N1C7H757.6°180.0°
HN1AN1C7C660.0°176.1°
HN1AN1C7C8176.9°63.9°
HN1AN1C7H762.4°56.1°
O1C2C17C3179.0°179.7°
O1C2C3C4179.9°180.0°
O1C2C3H30.1°0.0°
O1C2C17C16179.4°179.7°
O1C2C17H170.6°0.3°
C17C2C3C40.9°0.3°
C17C2C3H3179.1°179.7°
C2C17C16C50.4°0.5°
C2C17C16H17180.0°179.5°
C2C17C16H16179.6°179.7°
C2C3C4H3180.0°180.0°
C2C3C4C50.5°0.0°
C2C3C4H4179.4°180.0°
C3C2C17C160.4°0.6°
C3C2C17H17179.6°180.0°
C10N2C9HN2180.0°180.0°
C10N2C9O31.2°0.1°
N2C10C15O4173.9°0.0°
N2C10C15O53.9°180.0°
C10N2C9C8177.5°180.0°
N2C10C11C15122.1°120.0°
N2C10C11H10118.4°119.9°
N2C10C15H10118.4°120.0°
N2C10C11C1279.9°63.3°
N2C10C11H1140.1°56.7°
N2C10C11H11A160.1°176.7°
N2C9C8O273.9°175.0°
N2C9O3C8178.6°179.9°
N2C9C8C7162.5°65.0°
N2C9C8H842.7°55.0°
C9N2C10C11152.7°155.0°
C9N2C10C1586.9°85.0°
C9N2C10H1032.5°35.1°
HN2N2C9O3178.8°180.0°
HN2N2C9C82.5°0.0°
HN2N2C10C1127.3°25.0°
HN2N2C10C1593.0°95.0°
HN2N2C10H10147.5°144.9°
O2C8C9O3107.5°4.9°
O2C8C7C6146.5°55.0°
O2C8C7C9123.9°120.0°
O2C8C7H8116.6°120.0°
O2C8C7H791.1°175.0°
O2C8C9H8116.6°120.0°
HO2O2C8C7180.0°60.0°
HO2O2C8C958.7°60.0°
HO2O2C8H860.4°179.9°
C3C4C5H4180.0°180.0°
C3C4C5C6179.1°180.0°
C3C4C5C160.3°0.0°
H3C3C4C5179.4°180.0°
H3C3C4H40.6°0.0°
O3C9C8C716.1°115.0°
O3C9C8H8135.9°124.9°
C4C5C6C16178.8°180.0°
C4C5C6C7130.5°90.0°
C4C5C6H610.5°150.0°
C4C5C6H6A109.5°30.0°
C4C5C16C170.7°0.2°
C4C5C16H16179.3°180.0°
H4C4C5C60.9°0.0°
H4C4C5C16179.8°180.0°
O4C15O5C10177.9°179.9°
O4C15O5HO50.0°0.1°
O4C15C10C1152.5°120.0°
O4C15C10H1067.7°120.0°
C5C6C7H6120.0°120.0°
C5C6C7H6A120.0°120.0°
C5C6H6H6A117.3°120.0°
C5C6C7C8148.7°175.0°
C5C6C7H728.2°54.9°
C6C5C16C17179.5°179.7°
C6C5C16H160.5°0.0°
C16C5C6C750.7°90.0°
C16C5C6H6170.8°30.0°
C16C5C6H6A69.2°150.1°
C5C16C17H16180.0°179.7°
C5C16C17H17179.6°180.0°
O5C15C10C11125.2°60.0°
O5C15C10H10114.5°60.0°
HO5O5C15C10177.9°180.0°
C7C6H6H6A117.2°119.9°
C6C7C8H7122.4°120.0°
C6C7C8C989.6°175.0°
C6C7C8H829.8°65.0°
H6C6C7C891.3°65.0°
H6C6C7H7148.2°174.9°
H6AC6C7C828.7°55.0°
H6AC6C7H791.9°65.0°
C7C8C9H8119.8°120.0°
H7C7C8C932.8°65.0°
H7C7C8H8152.2°55.0°
C11C10C15H10120.2°120.0°
C10C11C12H11120.0°120.0°
C10C11C12H11A120.0°120.0°
C10C11H11H11A117.9°120.0°
C10C11C12C14175.2°65.9°
C10C11C12C1360.7°174.2°
C10C11C12H1254.9°54.2°
C15C10C11C12158.0°176.7°
C15C10C11H1182.0°63.4°
C15C10C11H11A38.0°56.6°
H10C10C11C1238.5°56.6°
H10C10C11H11158.5°176.6°
H10C10C11H11A81.5°63.4°
C12C11H11H11A117.9°120.0°
C11C12C14C13124.4°120.0°
C11C12C14H12120.1°120.1°
C11C12C13H12119.7°120.0°
C11C12C13H13180.0°57.2°
C11C12C13H13A60.0°177.2°
C11C12C13H13B60.0°62.8°
C11C12C14H14180.0°60.0°
C11C12C14H14A60.0°179.9°
C11C12C14H14B60.0°60.0°
H11C11C12C1455.2°174.2°
H11C11C12C13179.3°54.2°
H11C11C12H1265.1°65.8°
H11AC11C12C1464.8°54.2°
H11AC11C12C1359.4°65.8°
H11AC11C12H12174.9°174.2°
C14C12C13H12119.9°120.0°
C14C12C13H1359.5°62.8°
C14C12C13H13A60.4°57.2°
C14C12C13H13B179.6°177.2°
C12C14H14H14A120.0°120.0°
C12C14H14H14B120.0°120.0°
C12C14H14AH14B120.0°119.9°
C12C13H13H13A120.0°120.0°
C12C13H13H13B120.0°120.0°
C12C13H13AH13B120.0°120.0°
C13C12C14H1455.6°180.0°
C13C12C14H14A175.6°60.0°
C13C12C14H14B64.4°60.0°
H12C12C13H1360.4°177.2°
H12C12C13H13A179.7°62.7°
H12C12C13H13B59.7°57.2°
H12C12C14H1459.9°60.0°
H12C12C14H14A60.1°60.0°
H12C12C14H14B180.0°180.0°
H13C13H13AH13B120.0°120.0°
H14C14H14AH14B120.0°120.0°
H16C16C17H170.4°0.3°

222036

PDB entries from 2024-07-03

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