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KZT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OSdoub1.42Å1.42Å
C4O1sing1.43Å1.43Å
C7C6sing1.51Å1.52Å
C7C8sing1.51Å1.51Å
O1C3sing1.36Å1.37Å
NC5sing1.40Å1.42Å
NC6sing1.35Å1.35Å
C5C3doub1.39Å1.38ÅAromatic
C5C17sing1.39Å1.39ÅAromatic
C3C2sing1.39Å1.38ÅAromatic
C17Cdoub1.38Å1.38ÅAromatic
SCsing1.76Å1.76Å
SO3doub1.42Å1.43Å
SN2sing1.66Å1.61Å
C2C1doub1.38Å1.38ÅAromatic
C9C8doub1.37Å1.37ÅAromatic
C9C10sing1.39Å1.38ÅAromatic
CC1sing1.38Å1.38ÅAromatic
C6O2doub1.21Å1.23Å
C8C12sing1.41Å1.43ÅAromatic
C10N1doub1.31Å1.32ÅAromatic
C23N2sing1.43Å1.48Å
C23C22sing1.55Å1.50Å
N2C18sing1.50Å1.48Å
C22C21sing1.55Å1.51Å
C12C13doub1.40Å1.42ÅAromatic
C12C11sing1.42Å1.41ÅAromatic
N1C11sing1.34Å1.37ÅAromatic
C13C14sing1.36Å1.37ÅAromatic
C11C16doub1.40Å1.42ÅAromatic
C18C19sing1.46Å1.51Å
C21C20sing1.50Å1.55Å
C19C20sing1.53Å1.52Å
C14C15doub1.39Å1.38ÅAromatic
C16C15sing1.36Å1.37ÅAromatic
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C9H6sing1.08Å1.08Å
C10H7sing1.08Å1.08Å
C13H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
C15H10sing1.08Å1.08Å
C23H11sing1.09Å1.10Å
C23H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
C21H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C17H23sing1.08Å1.08Å
C2H24sing1.08Å1.08Å
C1H25sing1.08Å1.08Å
NH26sing0.97Å1.00Å
C16H27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OSC108.2°106.4°
OSO3120.1°123.2°
OSN2107.2°106.4°
C4O1C3117.8°117.0°
O1C4H1109.5°109.5°
O1C4H2109.5°109.5°
O1C4H3109.5°109.5°
C6C7C8111.6°109.5°
C7C6N115.5°120.0°
C7C6O2121.1°120.0°
C6C7H4109.0°109.5°
C6C7H5109.0°109.5°
C7C8C9119.1°121.0°
C7C8C12122.3°120.9°
C8C7H4109.0°109.5°
C8C7H5108.9°109.5°
O1C3C5114.0°120.1°
O1C3C2124.4°120.1°
C5NC6127.1°120.0°
NC5C3115.9°120.0°
NC5C17124.8°120.1°
C5NH26116.4°120.0°
NC6O2123.4°120.0°
C6NH26116.5°120.0°
C3C5C17118.9°119.9°
C5C3C2121.6°119.8°
C5C17C118.9°120.0°
C5C17H23120.5°120.0°
C3C2C1119.6°120.0°
C3C2H24120.2°120.0°
C17CS118.6°119.9°
C17CC1122.0°120.2°
CC17H23120.5°120.0°
CSO3107.1°106.4°
CSN2105.2°107.2°
SCC1119.2°120.0°
O3SN2108.2°106.4°
SN2C23118.8°120.6°
SN2C18116.6°120.5°
C2C1C118.9°120.2°
C1C2H24120.2°119.9°
C2C1H25120.5°120.0°
C8C9C10119.2°120.0°
C9C8C12118.4°118.1°
C8C9H6120.4°120.0°
C9C10N1124.8°121.7°
C10C9H6120.4°120.0°
C9C10H7117.6°119.1°
CC1H25120.6°119.9°
C8C12C13123.9°121.4°
C8C12C11117.8°119.0°
C10N1C11117.4°121.3°
N1C10H7117.6°119.1°
N2C23C22112.8°116.1°
C23N2C18119.6°118.9°
N2C23H11108.6°108.1°
N2C23H12108.6°108.2°
C23C22C21111.4°110.2°
C22C23H11108.6°108.2°
C22C23H12108.6°108.2°
C23C22H13109.0°109.4°
C23C22H14109.0°109.3°
N2C18C19108.8°107.5°
N2C18H21109.6°109.8°
N2C18H22109.7°109.8°
C22C21C20117.8°110.8°
C21C22H13109.0°109.4°
C21C22H14109.0°109.4°
C22C21H15107.3°109.2°
C22C21H16107.4°109.2°
C13C12C11118.3°119.7°
C12C13C14121.0°119.6°
C12C13H8119.5°120.3°
C12C11N1122.3°119.9°
C12C11C16119.2°119.1°
N1C11C16118.5°121.1°
C13C14C15120.6°120.9°
C14C13H8119.5°120.2°
C13C14H9119.7°119.6°
C11C16C15120.4°119.7°
C11C16H27119.8°120.1°
C18C19C20111.5°114.3°
C18C19H19109.0°108.5°
C18C19H20109.0°108.4°
C19C18H21109.7°109.6°
C19C18H22109.6°110.1°
C21C20C19118.9°105.4°
C20C21H15107.4°109.2°
C20C21H16107.3°109.2°
C21C20H17107.0°110.2°
C21C20H18107.1°110.2°
C19C20H17107.1°110.3°
C19C20H18107.1°110.4°
C20C19H19109.0°108.5°
C20C19H20109.0°108.5°
C14C15C16120.5°121.0°
C15C14H9119.7°119.6°
C14C15H10119.7°119.5°
C16C15H10119.7°119.5°
C15C16H27119.8°120.1°
H1C4H2109.4°109.5°
H1C4H3109.5°109.4°
H2C4H3109.5°109.4°
H4C7H5109.4°109.4°
H11C23H12109.5°107.9°
H13C22H14109.5°109.2°
H15C21H16109.4°109.2°
H17C20H18109.5°110.2°
H19C19H20109.5°108.5°
H21C18H22109.4°109.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OSCC1758.2°156.6°
OSCO3130.8°133.0°
OSCN2114.3°113.5°
OSO3N2123.3°122.9°
OSCC1116.8°23.5°
OSN2C2319.4°23.8°
OSN2C18174.3°156.5°
C4O1C3C5168.9°180.0°
C4O1C3C213.7°0.0°
O1C4H1H2120.0°120.1°
O1C4H1H3120.0°120.0°
O1C4H2H3120.0°120.0°
C6C7C8H4120.3°120.0°
C6C7C8H5120.3°120.0°
C7C6NC5161.4°175.6°
C7C6NO2179.5°180.0°
C6C7C8C9107.2°95.0°
C6C7C8C1276.2°85.0°
C6C7H4H5119.1°120.0°
C7C6NH2618.6°4.5°
C8C7C6N157.2°180.0°
C7C8C9C12176.7°179.9°
C7C8C9C10178.3°180.0°
C8C7C6O223.3°0.0°
C7C8C12C132.4°0.1°
C7C8C12C11179.5°180.0°
C8C7H4H5119.0°120.0°
C7C8C9H61.6°0.1°
O1C3C5N3.4°0.3°
O1C3C5C2177.4°179.9°
O1C3C5C17177.6°180.0°
O1C3C2C1178.7°180.0°
C3O1C4H1180.0°180.0°
C3O1C4H260.0°59.9°
C3O1C4H360.0°60.0°
O1C3C2H241.3°0.1°
C5NC6H26180.0°179.9°
NC5C3C17174.2°179.7°
NC5C3C2174.0°179.7°
NC5C17C176.1°179.7°
C5NC6O218.2°4.4°
NC5C17H233.9°0.3°
C6NC5C3161.1°145.1°
C6NC5C1712.7°34.6°
NC6C7H436.8°60.0°
NC6C7H582.5°59.9°
C3C5C17C2.5°0.0°
C5C3C2C11.5°0.1°
C3C5C17H23177.5°180.0°
C5C3C2H24178.5°180.0°
C3C5NH2618.9°34.9°
C17C5C3C20.2°0.1°
C5C17CH23180.0°179.9°
C5C17CS170.9°180.0°
C5C17CC14.0°0.1°
C17C5NH26167.3°145.4°
C3C2C1H24180.0°179.9°
C3C2C1C0.1°0.0°
C3C2C1H25180.0°179.9°
C17CSC1175.0°179.9°
C17CSO3171.1°23.6°
C17CSN256.1°90.0°
C17CC1C22.7°0.1°
C17CC1H25177.3°180.0°
CSO3N2112.9°114.1°
SCC1C2172.1°180.0°
CSN2C23134.4°89.7°
CSN2C1870.7°90.1°
SCC17H239.1°0.0°
SCC1H257.9°0.0°
O3SCC113.9°156.5°
O3SN2C23111.4°156.7°
O3SN2C1843.5°23.5°
N2SCC1128.9°90.0°
SN2C23C18154.1°179.8°
SN2C23C22127.7°88.7°
SN2C18C19139.9°109.8°
SN2C23H117.2°33.0°
SN2C23H12111.8°149.6°
SN2C18H21100.1°130.9°
SN2C18H2220.0°9.9°
C2C1CH25180.0°180.0°
C8C9C10H6180.0°180.0°
C8C9C10N11.1°0.0°
C9C8C12C13174.1°180.0°
C9C8C12C113.0°0.1°
C9C8C7H4132.5°145.0°
C9C8C7H513.1°25.1°
C8C9C10H7178.9°180.0°
C10C9C8C121.6°0.0°
C9C10N1H7180.0°180.0°
C9C10N1C112.3°0.1°
C1CC17H23176.0°180.0°
CC1C2H24179.9°180.0°
O2C6C7H4143.6°120.0°
O2C6C7H597.0°120.0°
O2C6NH26161.9°175.5°
C8C12C13C11177.1°179.9°
C8C12C11N11.8°0.1°
C8C12C13C14178.9°179.9°
C8C12C11C16178.4°180.0°
C12C8C7H444.1°35.0°
C12C8C7H5163.4°155.0°
C12C8C9H6178.3°180.0°
C8C12C13H81.1°0.0°
C10N1C11C120.7°0.1°
C10N1C11C16175.8°180.0°
N1C10C9H6179.0°180.0°
N2C23C22H11120.5°121.7°
N2C23C22H12120.5°121.7°
N2C23C22C2185.0°41.4°
C23N2C18C1965.4°70.4°
N2C23H11H12118.5°116.8°
N2C23C22H1335.3°78.9°
N2C23C22H14154.7°161.6°
C23N2C18H2154.5°48.8°
C23N2C18H22174.7°169.8°
C22C23N2C1878.1°91.6°
C23C22C21H13120.3°120.3°
C23C22C21H14120.3°120.2°
C23C22C21C2047.4°38.9°
C22C23H11H12118.5°116.8°
C23C22H13H14119.1°119.6°
C23C22C21H15168.6°81.5°
C23C22C21H1673.8°159.1°
N2C18C19H21119.9°119.4°
N2C18C19H22119.9°119.6°
N2C18C19C2077.2°58.4°
C18N2C23H11161.4°146.7°
C18N2C23H1242.4°30.2°
N2C18C19H19162.5°62.8°
N2C18C19H2043.1°179.5°
N2C18H21H22120.3°120.9°
C22C21C20H15121.2°120.3°
C22C21C20H16121.2°120.3°
C22C21C20C1924.6°97.7°
C21C22C23H11154.5°163.1°
C21C22C23H1235.5°80.3°
C21C22H13H14119.1°119.7°
C22C21H15H16116.2°119.3°
C22C21C20H17145.9°143.3°
C22C21C20H1896.8°21.4°
C13C12C11N1175.4°180.0°
C12C13C14H8180.0°180.0°
C13C12C11C161.1°0.1°
C12C13C14C151.2°0.0°
C12C13C14H9178.8°180.0°
C12C11N1C16176.6°179.9°
C11C12C13C141.8°0.0°
C12C11C16C150.2°0.1°
C11C12C13H8178.2°179.9°
C12C11C16H27179.8°179.9°
N1C11C16C15176.9°180.0°
C11N1C10H7177.7°179.9°
N1C11C16H273.1°0.1°
C13C14C15H9180.0°180.0°
C13C14C15C160.2°0.1°
C13C14C15H10179.8°180.0°
C11C16C15C140.8°0.1°
C11C16C15H27180.0°179.9°
C11C16C15H10179.2°180.0°
C18C19C20C2181.4°89.4°
C18C19C20H19120.3°121.2°
C18C19C20H20120.3°121.1°
C18C19C20H17157.3°151.6°
C18C19C20H1840.0°29.6°
C18C19H19H20119.1°117.6°
C19C18H21H22120.3°121.1°
C21C20C19H17121.3°119.0°
C21C20C19H18121.4°119.0°
C20C21C22H1372.9°159.1°
C20C21C22H14167.7°81.3°
C20C21H15H16116.2°119.4°
C21C20H17H18115.7°121.9°
C21C20C19H19158.3°31.8°
C21C20C19H2038.9°149.5°
C19C20C21H1596.6°22.7°
C19C20C21H16145.8°142.0°
C19C20H17H18115.7°122.1°
C20C19H19H20119.1°117.7°
C20C19C18H2142.7°61.0°
C20C19C18H22162.9°178.0°
C14C15C16H10180.0°179.9°
C15C14C13H8178.8°180.0°
C14C15C16H27179.2°179.9°
C16C15C14H9179.8°180.0°
H1C4H2H3120.0°120.0°
H6C9C10H71.1°0.0°
H8C13C14H91.2°0.0°
H9C14C15H100.2°0.0°
H10C15C16H270.8°0.0°
H11C23C22H1385.2°42.8°
H11C23C22H1434.2°76.7°
H12C23C22H13155.8°159.4°
H12C23C22H1484.8°39.9°
H13C22C21H1548.3°38.8°
H13C22C21H16165.9°80.6°
H14C22C21H1571.1°158.3°
H14C22C21H1646.5°39.0°
H15C21C20H1724.7°96.3°
H15C21C20H18142.0°141.8°
H16C21C20H1792.9°23.0°
H16C21C20H1824.4°98.9°
H17C20C19H1937.0°87.2°
H17C20C19H2082.4°30.5°
H18C20C19H1980.3°150.8°
H18C20C19H20160.3°91.5°
H19C19C18H2177.6°177.8°
H19C19C18H2242.6°56.8°
H20C19C18H21163.0°60.2°
H20C19C18H2276.8°60.9°
H24C2C1H250.1°0.0°

222415

PDB entries from 2024-07-10

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