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9JX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10C9doub1.34Å1.36ÅAromatic
C10S31sing1.71Å1.69ÅAromatic
C9N25sing1.31Å1.39ÅAromatic
S31C15sing1.76Å1.72ÅAromatic
N25C15doub1.31Å1.32ÅAromatic
C15C17sing1.47Å1.46Å
C17O30doub1.22Å1.23Å
C17N27sing1.35Å1.37Å
C19N27sing1.47Å1.47Å
C19C21sing1.53Å1.53Å
N27C20sing1.47Å1.47Å
C21N28sing1.47Å1.50Å
C1C2doub1.38Å1.36ÅAromatic
C1C4sing1.38Å1.39ÅAromatic
C2C7sing1.38Å1.36ÅAromatic
C20C22sing1.53Å1.51Å
N28C22sing1.47Å1.46Å
N28C24sing1.47Å1.47Å
C4C12doub1.39Å1.38ÅAromatic
C7C14doub1.38Å1.39ÅAromatic
C23C24sing1.54Å1.53Å
C23N26sing1.47Å1.48Å
C14C12sing1.39Å1.38ÅAromatic
C14CL1sing1.74Å1.70Å
C12C11sing1.48Å1.48Å
C24C18sing1.55Å1.51Å
C8C11doub1.39Å1.40ÅAromatic
C8C13sing1.39Å1.37ÅAromatic
C11C5sing1.39Å1.39ÅAromatic
N26C13sing1.40Å1.40Å
N26C16sing1.34Å1.35Å
C18C16sing1.51Å1.50Å
C13C6doub1.39Å1.38ÅAromatic
C5C3doub1.38Å1.39ÅAromatic
C16O29doub1.21Å1.24Å
C6C3sing1.38Å1.38ÅAromatic
C4H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C8H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C20H7sing1.09Å1.10Å
C20H8sing1.09Å1.10Å
C21H9sing1.09Å1.10Å
C21H10sing1.09Å1.10Å
C22H11sing1.09Å1.10Å
C22H12sing1.09Å1.10Å
C24H13sing1.09Å1.10Å
C1H14sing1.08Å1.08Å
C2H15sing1.08Å1.08Å
C3H16sing1.08Å1.08Å
C9H17sing1.08Å1.08Å
C18H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C19H20sing1.09Å1.10Å
C19H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C9C10S31111.5°109.1°
C10C9N25114.5°115.8°
C9C10H6124.2°125.5°
C10C9H17122.8°122.1°
C10S31C1589.1°90.3°
S31C10H6124.3°125.4°
C9N25C15109.3°115.9°
N25C9H17122.8°122.1°
S31C15N25115.6°109.0°
S31C15C17114.6°125.5°
N25C15C17129.8°125.5°
C15C17O30119.4°120.0°
C15C17N27122.1°120.0°
O30C17N27118.4°120.0°
C17N27C19125.7°120.9°
C17N27C20119.3°120.9°
N27C19C21111.4°108.5°
C19N27C20113.9°118.2°
N27C19H20109.0°109.7°
N27C19H21109.0°109.6°
C19C21N28111.5°109.3°
C19C21H9109.0°109.5°
C19C21H10109.0°109.5°
C21C19H20109.0°109.6°
C21C19H21109.0°109.6°
N27C20C22110.4°108.5°
N27C20H7109.2°109.6°
N27C20H8109.2°109.8°
C21N28C22108.2°111.3°
C21N28C24110.2°111.0°
N28C21H9109.0°109.5°
N28C21H10109.0°109.5°
C2C1C4121.3°120.1°
C1C2C7121.6°120.2°
C2C1H14119.4°119.9°
C1C2H15119.2°119.9°
C1C4C12118.4°119.9°
C1C4H1120.8°120.0°
C4C1H14119.3°120.0°
C2C7C14117.1°120.1°
C2C7H4121.5°119.9°
C7C2H15119.2°119.9°
C20C22N28111.4°109.3°
C22C20H7109.2°109.6°
C22C20H8109.3°109.6°
C20C22H11109.0°109.5°
C20C22H12109.0°109.5°
C22N28C24111.5°111.0°
N28C22H11109.0°109.5°
N28C22H12109.0°109.5°
N28C24C23112.9°111.0°
N28C24C18112.8°111.0°
N28C24H13109.7°110.9°
C4C12C14118.5°119.7°
C4C12C11118.4°120.1°
C12C4H1120.8°120.0°
C7C14C12123.2°119.9°
C7C14CL1117.9°120.0°
C14C7H4121.5°120.0°
C24C23N26103.0°105.5°
C23C24C18103.3°101.8°
C23C24H13108.8°111.0°
C24C23H22111.0°110.3°
C24C23H23111.1°110.3°
C23N26C13121.9°124.4°
C23N26C16111.5°111.3°
N26C23H22111.1°110.2°
N26C23H23111.0°110.2°
C12C14CL1118.9°120.1°
C14C12C11123.0°120.1°
C12C11C8118.7°120.1°
C12C11C5123.5°120.1°
C24C18C16104.3°104.2°
C18C24H13109.1°111.0°
C24C18H18110.8°110.5°
C24C18H19110.7°110.5°
C11C8C13121.8°119.8°
C8C11C5117.8°119.8°
C11C8H5119.1°120.1°
C8C13N26119.8°120.0°
C8C13C6119.8°120.0°
C13C8H5119.1°120.1°
C11C5C3120.4°120.0°
C11C5H2119.8°120.0°
C13N26C16126.2°124.4°
N26C13C6120.3°120.0°
N26C16C18109.2°110.1°
N26C16O29123.5°124.9°
C18C16O29127.2°124.9°
C16C18H18110.7°110.5°
C16C18H19110.8°110.5°
C13C6C3119.9°120.2°
C13C6H3120.0°119.9°
C5C3C6120.4°120.2°
C3C5H2119.8°120.0°
C5C3H16119.8°119.9°
C3C6H3120.1°119.9°
C6C3H16119.8°119.9°
H7C20H8109.5°109.6°
H9C21H10109.5°109.5°
H11C22H12109.4°109.5°
H18C18H19109.5°110.5°
H20C19H21109.4°109.8°
H22C23H23109.5°110.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C9C10S31H6180.0°179.7°
C10C9N25H17180.0°180.0°
C9C10S31C150.6°0.0°
C10C9N25C150.4°0.0°
S31C10C9N250.7°0.0°
C10S31C15N250.4°0.0°
C10S31C15C17178.1°180.0°
S31C10C9H17179.3°180.0°
C9N25C15S310.1°0.0°
C9N25C15C17177.4°180.0°
N25C9C10H6179.3°179.8°
S31C15N25C17177.3°180.0°
S31C15C17O301.9°148.1°
S31C15C17N27177.6°31.8°
C15S31C10H6179.4°179.7°
N25C15C17O30175.4°31.9°
N25C15C17N270.3°148.2°
C15N25C9H17179.6°180.0°
C15C17O30N27175.8°179.9°
C15C17N27C1917.6°177.0°
C15C17N27C20175.4°3.0°
O30C17N27C19166.7°2.9°
O30C17N27C200.3°177.1°
C17N27C19C20167.6°180.0°
C17N27C19C21142.7°128.8°
C17N27C20C22139.2°128.8°
C17N27C20H7100.7°9.1°
C17N27C20H819.1°111.4°
C17N27C19H2022.4°111.5°
C17N27C19H2197.0°9.1°
N27C19C21H20120.3°119.7°
N27C19C21H21120.3°119.7°
N27C19C21N2852.3°53.8°
C19N27C20C2252.3°51.2°
C19N27C20H767.8°170.9°
C19N27C20H8172.5°68.6°
N27C19C21H968.0°66.1°
N27C19C21H10172.6°173.8°
N27C19H20H21119.1°120.5°
C21C19N27C2049.7°51.2°
C19C21N28H9120.3°119.9°
C19C21N28H10120.3°120.0°
C19C21N28C2258.0°63.1°
C19C21N28C24179.8°172.8°
C19C21H9H10119.1°120.1°
C21C19H20H21119.1°120.5°
N27C20C22H7120.1°119.7°
N27C20C22H8120.1°119.9°
N27C20C22N2858.7°53.9°
N27C20H7H8119.6°120.6°
N27C20C22H11179.0°173.8°
N27C20C22H1261.6°66.2°
C20N27C19H20170.0°68.5°
C20N27C19H2170.6°170.9°
C21N28C22C2061.4°63.1°
C21N28C22C24121.4°124.1°
C21N28C24C2366.5°62.5°
C21N28C24C18176.9°174.9°
N28C21H9H10119.1°120.1°
C21N28C22H11178.3°176.9°
C21N28C22H1258.9°56.9°
C21N28C24H1355.1°61.3°
N28C21C19H20172.6°65.9°
N28C21C19H2168.0°173.5°
C2C1C4H14180.0°179.9°
C1C2C7H15180.0°180.0°
C2C1C4C121.0°0.0°
C1C2C7C140.7°0.3°
C2C1C4H1178.9°179.7°
C1C2C7H4179.3°179.7°
C4C1C2C71.4°0.0°
C1C4C12H1180.0°179.7°
C1C4C12C140.0°0.3°
C1C4C12C11176.8°179.7°
C4C1C2H15178.6°180.0°
C2C7C14H4180.0°179.4°
C2C7C14C120.4°0.6°
C2C7C14CL1180.0°180.0°
C7C2C1H14178.5°179.9°
C20C22N28H11120.3°119.9°
C20C22N28H12120.3°120.0°
C20C22N28C24177.2°172.7°
C22C20H7H8119.6°120.4°
C20C22H11H12119.1°120.1°
C22N28C24C23173.3°173.2°
C22N28C24C1856.6°60.8°
N28C22C20H761.4°173.6°
N28C22C20H8178.9°66.1°
C22N28C21H962.3°56.8°
C22N28C21H10178.3°176.9°
N28C22H11H12119.1°120.1°
C22N28C24H1365.1°63.0°
N28C24C23C18122.2°118.2°
N28C24C23H13122.0°123.7°
N28C24C23N26150.1°143.6°
N28C24C18H13122.1°123.7°
N28C24C18C16149.8°143.0°
C24N28C21H959.9°67.3°
C24N28C21H1059.5°52.8°
C24N28C22H1156.9°52.8°
C24N28C22H1262.5°67.3°
N28C24C18H1830.6°24.3°
N28C24C18H1991.0°98.3°
N28C24C23H2290.9°97.5°
N28C24C23H2331.1°24.5°
C4C12C14C70.8°0.6°
C4C12C14C11176.7°180.0°
C4C12C14CL1179.7°180.0°
C4C12C11C899.6°130.0°
C4C12C11C578.4°50.0°
C12C4C1H14178.9°179.9°
C7C14C12CL1179.5°179.4°
C7C14C12C11175.9°179.5°
C14C7C2H15179.3°179.7°
C24C23N26H22119.0°119.0°
C24C23N26H23119.0°119.1°
C23C24C18H13115.6°118.1°
C24C23N26C13168.0°163.0°
C24C23N26C1618.7°17.0°
C23C24C18C1627.5°24.8°
C23C24C18H1891.6°93.9°
C23C24C18H19146.7°143.5°
C24C23H22H23123.0°122.0°
N26C23C24C1827.9°25.4°
C23N26C13C834.1°174.3°
C23N26C13C16172.2°180.0°
C23N26C16C181.2°0.4°
C23N26C13C6142.3°6.5°
C23N26C16O29177.0°179.6°
N26C23C24H1387.9°92.7°
N26C23H22H23123.0°121.9°
C14C12C11C877.1°50.0°
C14C12C11C5104.8°130.1°
C14C12C4H1180.0°180.0°
C12C14C7H4179.6°180.0°
CL1C14C12C113.6°0.0°
CL1C14C7H40.0°0.6°
C12C11C8C5178.2°180.0°
C12C11C8C13178.4°179.5°
C12C11C5C3178.7°180.0°
C11C12C4H13.2°0.0°
C12C11C5H21.3°0.2°
C12C11C8H51.6°0.1°
C24C18C16N2617.2°16.2°
C24C18C16H18119.2°118.7°
C24C18C16H19119.2°118.7°
C24C18C16O29164.7°163.8°
C24C18H18H19122.4°122.6°
C18C24C23H22146.9°144.4°
C18C24C23H2391.0°93.6°
C11C8C13H5180.0°179.4°
C11C8C13N26176.9°180.0°
C11C8C13C60.5°0.8°
C8C11C5C30.6°0.0°
C8C11C5H2179.4°179.7°
C13C8C11C50.3°0.6°
C8C13N26C6176.4°179.2°
C8C13N26C16138.1°5.7°
C8C13C6C31.1°0.5°
C8C13C6H3178.9°179.4°
C11C5C3H2180.0°179.8°
C11C5C3C61.2°0.2°
C5C11C8H5179.7°180.0°
C11C5C3H16178.8°179.7°
C13N26C16C18174.1°179.6°
C13N26C16O294.1°0.4°
N26C13C6C3177.5°179.7°
N26C13C6H32.5°0.3°
N26C13C8H53.1°0.6°
C13N26C23H2249.1°44.0°
C13N26C23H2373.0°77.9°
N26C16C18O29178.1°180.0°
C16N26C13C645.5°173.5°
N26C16C18H18102.0°102.4°
N26C16C18H19136.3°134.9°
C16N26C23H22137.7°136.0°
C16N26C23H23100.3°102.0°
C16C18C24H1388.1°93.3°
C16C18H18H19122.4°122.6°
C13C6C3C51.5°0.0°
C13C6C3H3180.0°180.0°
C6C13C8H5179.5°179.8°
C13C6C3H16178.5°180.0°
C5C3C6H16180.0°180.0°
C5C3C6H3178.6°180.0°
O29C16C18H1876.1°77.6°
O29C16C18H1945.5°45.1°
C6C3C5H2178.8°180.0°
H1C4C1H141.1°0.2°
H2C5C3H161.2°0.0°
H3C6C3H161.4°0.0°
H4C7C2H150.7°0.3°
H6C10C9H170.7°0.3°
H7C20C22H1158.9°66.5°
H7C20C22H12178.3°53.5°
H8C20C22H1160.8°53.9°
H8C20C22H1258.5°173.9°
H9C21C19H2052.3°174.2°
H9C21C19H21171.7°53.6°
H10C21C19H2067.1°54.1°
H10C21C19H2152.3°66.5°
H13C24C18H18152.7°148.0°
H13C24C18H1931.1°25.4°
H13C24C23H2231.1°26.3°
H13C24C23H23153.2°148.3°
H14C1C2H151.5°0.1°

222624

PDB entries from 2024-07-17

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