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8X5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1doub1.38Å1.38ÅAromatic
CC5sing1.38Å1.38ÅAromatic
C1C2sing1.38Å1.39ÅAromatic
C5C4doub1.38Å1.39ÅAromatic
C2C3doub1.38Å1.39ÅAromatic
C4C3sing1.38Å1.39ÅAromatic
C3C6sing1.51Å1.51Å
O1C22doub1.22Å1.23Å
C6Nsing1.47Å1.47Å
C22Nsing1.35Å1.36Å
C22C10sing1.47Å1.46Å
NC7sing1.46Å1.47Å
C11C10sing1.40Å1.43ÅAromatic
C11C12doub1.36Å1.38ÅAromatic
C10C9doub1.39Å1.38ÅAromatic
C14C15doub1.38Å1.38ÅAromatic
C14C13sing1.40Å1.39ÅAromatic
C12C13sing1.48Å1.47Å
C12N1sing1.38Å1.38ÅAromatic
C15N2sing1.32Å1.34ÅAromatic
C9C8sing1.51Å1.49Å
C9N1sing1.33Å1.36ÅAromatic
C13N3doub1.33Å1.34ÅAromatic
C7C8sing1.53Å1.52Å
N2C16doub1.32Å1.35ÅAromatic
N3C16sing1.32Å1.35ÅAromatic
C16N4sing1.38Å1.35Å
N4C17sing1.46Å1.46Å
C17C21sing1.53Å1.52Å
C17C18sing1.53Å1.53Å
C21C20sing1.53Å1.51Å
C20Osing1.43Å1.43Å
C18C19sing1.53Å1.51Å
C19Osing1.43Å1.43Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C11H7sing1.08Å1.08Å
C14H8sing1.08Å1.08Å
C15H9sing1.08Å1.08Å
C19H10sing1.09Å1.10Å
C19H11sing1.09Å1.10Å
C20H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C21H14sing1.09Å1.10Å
C21H15sing1.09Å1.10Å
C6H16sing1.09Å1.10Å
C6H17sing1.09Å1.10Å
C4H18sing1.08Å1.08Å
C5H19sing1.08Å1.08Å
CH20sing1.08Å1.08Å
N1H21sing0.97Å1.00Å
N4H22sing0.97Å1.00Å
C17H23sing1.09Å1.10Å
C18H24sing1.09Å1.10Å
C18H25sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1CC5119.7°120.0°
CC1C2120.1°120.0°
CC1H1119.9°120.0°
C1CH20120.1°120.0°
CC5C4120.2°120.0°
CC5H19119.9°120.0°
C5CH20120.1°120.0°
C1C2C3120.8°120.0°
C2C1H1119.9°120.0°
C1C2H2119.6°120.0°
C5C4C3120.7°120.0°
C5C4H18119.6°120.0°
C4C5H19119.9°119.9°
C2C3C4118.4°120.0°
C2C3C6121.1°120.0°
C3C2H2119.6°120.0°
C4C3C6120.4°120.0°
C3C4H18119.6°120.0°
C3C6N114.5°109.5°
C3C6H16108.2°109.5°
C3C6H17108.2°109.4°
O1C22N123.7°121.7°
O1C22C10123.0°121.7°
C6NC22119.1°118.7°
C6NC7113.8°118.7°
NC6H16108.2°109.5°
NC6H17108.2°109.5°
NC22C10113.2°116.6°
C22NC7121.2°122.7°
C22C10C11131.6°131.8°
C22C10C9121.3°120.7°
NC7C8112.3°112.9°
NC7H3108.7°108.8°
NC7H4108.7°108.7°
C10C11C12106.4°106.8°
C11C10C9107.1°107.5°
C10C11H7126.8°126.6°
C11C12C13129.4°125.7°
C11C12N1109.3°108.5°
C12C11H7126.8°126.6°
C10C9C8125.4°121.0°
C10C9N1109.0°108.1°
C15C14C13116.5°118.4°
C14C15N2123.4°119.3°
C15C14H8121.8°120.8°
C14C15H9118.3°120.3°
C14C13C12122.3°120.5°
C14C13N3122.2°119.0°
C13C14H8121.8°120.8°
C13C12N1121.3°125.8°
C12C13N3115.5°120.6°
C12N1C9108.3°109.2°
C12N1H21125.8°125.4°
C15N2C16115.3°121.1°
N2C15H9118.3°120.4°
C8C9N1125.6°130.9°
C9C8C7104.4°108.8°
C9C8H5110.7°109.6°
C9C8H6110.7°109.7°
C9N1H21125.8°125.4°
C13N3C16116.4°120.5°
C8C7H3108.7°108.8°
C8C7H4108.7°108.8°
C7C8H5110.7°109.6°
C7C8H6110.7°109.6°
N2C16N3126.2°121.7°
N2C16N4116.8°119.2°
N3C16N4117.0°119.1°
C16N4C17126.0°120.0°
C16N4H22105.2°120.0°
N4C17C21111.4°109.5°
N4C17C18111.0°109.5°
C17N4H22105.2°120.0°
N4C17H23108.4°109.5°
C21C17C18110.7°109.0°
C17C21C20109.6°109.2°
C17C21H14109.5°109.5°
C17C21H15109.5°109.6°
C21C17H23107.7°109.6°
C17C18C19109.8°109.2°
C18C17H23107.6°109.6°
C17C18H24109.4°109.5°
C17C18H25109.4°109.5°
C21C20O111.3°109.4°
C21C20H12109.0°109.5°
C21C20H13109.0°109.5°
C20C21H14109.4°109.5°
C20C21H15109.5°109.5°
C20OC19110.4°114.1°
OC20H12109.0°109.5°
OC20H13109.0°109.5°
C18C19O111.1°109.4°
C18C19H10109.0°109.5°
C18C19H11109.1°109.5°
C19C18H24109.4°109.5°
C19C18H25109.4°109.5°
OC19H10109.1°109.5°
OC19H11109.0°109.4°
H3C7H4109.5°108.8°
H5C8H6109.5°109.6°
H10C19H11109.5°109.5°
H12C20H13109.5°109.5°
H14C21H15109.4°109.6°
H16C6H17109.5°109.5°
H24C18H25109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1CC5H20180.0°179.5°
CC1C2H1180.0°179.8°
C1CC5C40.5°0.5°
CC1C2C31.3°0.2°
CC1C2H2178.7°179.8°
C1CC5H19179.5°179.8°
C5CC1C20.3°0.5°
CC5C4H19180.0°179.7°
CC5C4C30.3°0.3°
C5CC1H1179.7°179.7°
CC5C4H18179.7°179.7°
C1C2C3H2180.0°180.0°
C1C2C3C41.5°0.0°
C1C2C3C6179.7°180.0°
C2C1CH20179.7°180.0°
C5C4C3C20.7°0.1°
C5C4C3H18180.0°180.0°
C5C4C3C6179.5°180.0°
C4C5CH20179.5°180.0°
C2C3C4C6178.8°180.0°
C2C3C6N29.6°90.0°
C3C2C1H1178.7°180.0°
C2C3C6H16150.4°150.0°
C2C3C6H1791.1°30.0°
C2C3C4H18179.4°180.0°
C4C3C6N151.5°90.0°
C4C3C2H2178.5°179.9°
C4C3C6H1630.8°30.0°
C4C3C6H1787.7°150.1°
C3C4C5H19179.7°180.0°
C3C6NH16120.7°120.0°
C3C6NH17120.7°119.9°
C3C6NC2271.3°90.0°
C3C6NC7135.4°90.0°
C6C3C2H20.3°0.0°
C3C6H16H17117.7°120.0°
C6C3C4H180.5°0.0°
O1C22NC60.6°8.0°
O1C22NC10177.1°179.9°
O1C22NC7150.6°172.0°
O1C22C10C111.4°12.8°
O1C22C10C9177.6°167.1°
C6NC22C7151.3°180.0°
C6NC22C10177.8°171.9°
C6NC7C8152.6°140.8°
C6NC7H387.0°20.0°
C6NC7H432.2°98.3°
NC6H16H17117.7°120.0°
NC22C10C11178.5°167.3°
NC22C10C90.4°12.9°
C22NC7C854.7°39.1°
C22NC7H365.7°160.0°
C22NC7H4175.1°81.7°
C22NC6H1649.4°30.0°
C22NC6H17168.0°150.1°
C10C22NC726.5°8.1°
C22C10C11C9179.1°179.9°
C22C10C11C12179.7°179.8°
C22C10C9C81.8°0.3°
C22C10C9N1180.0°179.8°
C22C10C11H70.3°0.2°
NC7C8C948.2°46.5°
NC7C8H3120.4°120.9°
NC7C8H4120.4°120.8°
NC7H3H4118.7°118.2°
NC7C8H571.0°166.3°
NC7C8H6167.4°73.5°
C7NC6H16103.8°150.0°
C7NC6H1714.7°30.0°
C10C11C12H7180.0°180.0°
C10C11C12C13179.6°180.0°
C10C11C12N10.2°0.0°
C11C10C9C8179.0°179.8°
C11C10C9N10.8°0.1°
C12C11C10C90.6°0.1°
C11C12C13C140.3°179.8°
C11C12C13N1179.7°180.0°
C11C12N1C90.3°0.1°
C11C12C13N3179.5°0.1°
C11C12N1H21179.7°180.0°
C10C9N1C120.7°0.1°
C10C9C8N1177.9°180.0°
C10C9C8C726.3°29.1°
C10C9C8H592.9°148.8°
C10C9C8H6145.5°90.8°
C9C10C11H7179.4°180.0°
C10C9N1H21179.3°179.9°
C15C14C13H8180.0°179.9°
C15C14C13C12178.2°179.9°
C14C15N2H9180.0°179.9°
C15C14C13N30.9°0.2°
C14C15N2C162.3°0.3°
C14C13C12N3179.2°179.7°
C14C13C12N1180.0°0.3°
C13C14C15N22.4°0.1°
C14C13N3C160.5°0.3°
C13C14C15H9177.6°179.9°
C13C12N1C9179.9°179.9°
C12C13N3C16179.7°180.0°
C13C12C11H70.4°0.1°
C12C13C14H81.8°0.0°
C13C12N1H210.1°0.0°
C12N1C9C8178.9°179.9°
C12N1C9H21180.0°179.9°
N1C12C13N30.8°180.0°
N1C12C11H7179.8°180.0°
C15N2C16N30.7°0.3°
C15N2C16N4178.0°179.7°
N2C15C14H8177.6°180.0°
C9C8C7H5119.2°119.8°
C9C8C7H6119.2°119.9°
C9C8C7H372.2°167.3°
C9C8C7H4168.6°74.3°
C9C8H5H6122.3°120.5°
C8C9N1H211.1°0.1°
N1C9C8C7155.8°150.9°
N1C9C8H585.0°31.2°
N1C9C8H636.7°89.2°
C13N3C16N20.6°0.0°
C13N3C16N4179.4°180.0°
N3C13C14H8179.1°179.7°
C8C7H3H4118.7°118.4°
C7C8H5H6122.3°120.3°
N2C16N3N4178.7°180.0°
N2C16N4C17174.6°0.0°
C16N2C15H9177.7°179.8°
N2C16N4H2263.2°180.0°
N3C16N4C174.3°180.0°
N3C16N4H22118.0°0.1°
C16N4C17H22122.2°179.9°
C16N4C17C21163.5°155.0°
C16N4C17C1872.7°85.4°
C16N4C17H2345.2°34.8°
N4C17C21C18123.9°119.9°
N4C17C21H23118.7°120.1°
N4C17C18H23118.4°120.2°
N4C17C21C20176.2°176.9°
N4C17C18C19176.5°176.9°
N4C17C21H1463.8°57.0°
N4C17C21H1556.2°63.2°
N4C17C18H2456.4°63.3°
N4C17C18H2563.5°56.9°
C21C17C18H23117.4°119.9°
C17C21C20H14120.0°119.9°
C17C21C20H15120.0°120.0°
C17C21C20O57.3°57.6°
C21C17C18C1952.3°57.0°
C17C21C20H1263.0°62.4°
C17C21C20H13177.6°177.6°
C17C21H14H15120.0°120.2°
C21C17N4H2241.3°25.0°
C21C17C18H2467.7°176.9°
C21C17C18H25172.4°62.9°
C18C17C21C2052.3°57.0°
C17C18C19H24120.1°119.9°
C17C18C19H25120.0°119.9°
C17C18C19O57.1°57.6°
C17C18C19H10177.3°62.4°
C17C18C19H1163.2°177.6°
C18C17C21H14172.3°62.9°
C18C17C21H1567.7°176.9°
C18C17N4H22165.0°94.5°
C17C18H24H25119.8°120.2°
C21C20OH12120.3°120.0°
C21C20OH13120.3°120.0°
C21C20OC1962.5°61.1°
C21C20H12H13119.2°120.1°
C20C21H14H15120.0°120.1°
C20C21C17H2365.1°63.0°
C20OC19C1862.2°61.2°
C20OC19H10177.5°58.9°
C20OC19H1158.1°178.9°
OC20H12H13119.1°120.0°
OC20C21H14177.3°62.3°
OC20C21H1562.7°177.6°
C18C19OH10120.2°120.0°
C18C19OH11120.3°120.0°
C18C19H10H11119.2°120.1°
C19C18C17H2365.1°62.9°
C19C18H24H25119.9°120.2°
OC19H10H11119.2°120.0°
C19OC20H1257.8°58.8°
C19OC20H13177.3°178.8°
OC19C18H2463.0°177.5°
OC19C18H25177.1°62.3°
H1C1C2H21.3°0.1°
H1C1CH200.3°0.2°
H3C7C8H5168.6°72.9°
H3C7C8H647.0°47.4°
H4C7C8H549.4°45.5°
H4C7C8H672.2°165.7°
H8C14C15H92.4°0.2°
H10C19C18H2457.3°57.5°
H10C19C18H2562.6°177.7°
H11C19C18H24176.8°62.5°
H11C19C18H2556.9°57.7°
H12C20C21H1457.0°177.7°
H12C20C21H15177.0°57.6°
H13C20C21H1462.4°57.7°
H13C20C21H1557.5°62.4°
H14C21C17H2354.9°177.1°
H15C21C17H23174.9°56.9°
H18C4C5H190.3°0.0°
H19C5CH200.5°0.3°
H22N4C17H2377.0°145.2°
H23C17C18H24174.8°57.0°
H23C17C18H2554.9°177.1°

223166

PDB entries from 2024-07-31

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