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JZB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLC3sing1.74Å1.73Å
C1C2doub1.39Å1.41ÅAromatic
C1C6sing1.38Å1.41ÅAromatic
N1O5sing1.42Å1.38Å
N1C9doub1.30Å1.32Å
O1C8sing1.35Å1.34Å
O1C11sing1.45Å1.41Å
C2C3sing1.39Å1.36ÅAromatic
C2O3sing1.36Å1.33Å
N2C19sing1.35Å1.39Å
N2C20sing1.47Å1.48Å
N2C24sing1.47Å1.49Å
O2C8doub1.22Å1.22Å
C3C4doub1.38Å1.38ÅAromatic
C4C5sing1.40Å1.40ÅAromatic
C4C7sing1.51Å1.53Å
O4C6sing1.36Å1.34Å
C5C6doub1.40Å1.40ÅAromatic
C5C8sing1.47Å1.51Å
O5C18sing1.43Å1.46Å
O6C19doub1.21Å1.22Å
C7C9sing1.51Å1.56Å
C9C10sing1.47Å1.51Å
C10C16doub1.33Å1.32Å
C11C12sing1.53Å1.54Å
C12C13sing1.51Å1.53Å
C13C14doub1.31Å1.35Å
C14C15sing1.51Å1.51Å
C15C17sing1.53Å1.56Å
C16C17sing1.51Å1.53Å
C18C19sing1.51Å1.54Å
C20C21sing1.53Å1.51Å
C21C22sing1.53Å1.54Å
C22C23sing1.53Å1.53Å
C23C24sing1.53Å1.52Å
C1H1sing1.08Å1.08Å
O3HO3sing0.97Å0.95Å
O4HO4sing0.97Å0.95Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C10H10sing1.08Å1.08Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C16H16sing1.08Å1.08Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLC3C2121.0°119.8°
CLC3C4118.2°119.9°
C2C1C6116.7°120.2°
C1C2C3122.3°120.1°
C1C2O3120.3°120.0°
C2C1H1121.6°119.9°
C1C6O4119.0°120.1°
C1C6C5121.3°119.9°
C6C1H1121.6°120.0°
O5N1C9116.7°120.0°
N1O5C18124.0°114.0°
N1C9C7124.3°120.2°
N1C9C10124.8°120.1°
C8O1C11119.8°117.9°
O1C8O2117.1°120.4°
O1C8C5121.0°119.2°
O1C11C12107.6°109.8°
O1C11H11110.1°109.4°
O1C11H11A110.1°109.4°
C3C2O3117.2°119.9°
C2C3C4120.7°120.3°
C2O3HO3109.5°114.0°
C19N2C20122.3°120.6°
C19N2C24122.3°120.7°
N2C19O6114.3°120.0°
N2C19C18124.6°120.0°
C20N2C24112.9°118.7°
N2C20C21110.2°108.8°
N2C20H20109.2°109.6°
N2C20H20A109.3°109.6°
N2C24C23111.7°109.0°
N2C24H24108.8°109.6°
N2C24H24A108.7°109.6°
O2C8C5121.9°120.4°
C3C4C5119.8°119.9°
C3C4C7117.3°119.7°
C5C4C7122.8°120.4°
C4C5C6119.0°119.6°
C4C5C8120.5°120.8°
C4C7C9111.2°109.7°
C4C7H7108.9°109.5°
C4C7H7A108.9°109.5°
O4C6C5119.7°120.1°
C6O4HO4109.5°114.0°
C6C5C8120.5°119.6°
O5C18C19111.2°109.5°
O5C18H18108.9°109.5°
O5C18H18A108.9°109.5°
O6C19C18121.1°120.0°
C7C9C10111.0°119.7°
C9C7H7108.9°109.4°
C9C7H7A108.9°109.4°
C9C10C16125.0°120.1°
C9C10H10117.5°119.8°
C10C16C17124.4°120.0°
C16C10H10117.5°120.0°
C10C16H16117.8°120.0°
C11C12C13109.6°109.5°
C12C11H11110.1°109.4°
C12C11H11A110.1°109.5°
C11C12H12109.4°109.5°
C11C12H12A109.4°109.5°
C12C13C14116.8°119.8°
C13C12H12109.4°109.5°
C13C12H12A109.4°109.5°
C12C13H13121.6°120.1°
C13C14C15124.3°120.2°
C14C13H13121.6°120.1°
C13C14H14117.8°119.9°
C14C15C17105.2°109.2°
C15C14H14117.8°119.9°
C14C15H15110.9°109.6°
C14C15H15A110.9°109.5°
C15C17C16108.6°109.3°
C17C15H15110.9°109.5°
C17C15H15A110.9°109.5°
C15C17H17109.7°109.5°
C15C17H17A109.8°109.5°
C17C16H16117.8°119.9°
C16C17H17109.8°109.5°
C16C17H17A109.7°109.5°
C19C18H18108.9°109.5°
C19C18H18A108.9°109.5°
C20C21C22107.6°109.3°
C21C20H20109.2°109.6°
C21C20H20A109.2°109.6°
C20C21H21110.1°109.5°
C20C21H21A110.1°109.5°
C21C22C23106.2°109.5°
C22C21H21110.1°109.4°
C22C21H21A110.1°109.5°
C21C22H22110.6°109.5°
C21C22H22A110.6°109.5°
C22C23C24103.1°109.4°
C23C22H22110.6°109.4°
C23C22H22A110.6°109.5°
C22C23H23111.7°109.5°
C22C23H23A111.6°109.5°
C24C23H23111.6°109.6°
C24C23H23A111.7°109.3°
C23C24H24108.8°109.5°
C23C24H24A108.8°109.4°
H7C7H7A110.0°109.4°
H11C11H11A108.8°109.4°
H12C12H12A109.5°109.4°
H15C15H15A108.0°109.5°
H17C17H17A109.2°109.5°
H18C18H18A110.0°109.5°
H20C20H20A109.7°109.7°
H21C21H21A108.8°109.5°
H22C22H22A108.3°109.5°
H23C23H23A107.2°109.5°
H24C24H24A110.2°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLC3C2C1179.0°179.5°
CLC3C2C4176.7°180.0°
CLC3C2O36.1°0.4°
CLC3C4C5177.3°179.9°
CLC3C4C75.5°0.2°
C2C1C6H1180.0°179.7°
C1C2C3O3174.9°180.0°
C1C2C3C42.3°0.5°
C2C1C6O4178.0°179.5°
C2C1C6C52.6°0.6°
C1C2O3HO3180.0°90.0°
C6C1C2C33.2°0.3°
C6C1C2O3177.9°179.8°
C1C6C5C41.0°1.2°
C1C6O4C5179.5°180.0°
C1C6C5C8178.0°178.3°
C1C6O4HO4180.0°90.0°
O5N1C9C72.1°0.0°
O5N1C9C10179.5°180.0°
N1O5C18C19161.5°180.0°
N1O5C18H1841.5°60.0°
N1O5C18H18A78.5°60.0°
N1C9C7C4135.5°36.6°
C9N1O5C18172.6°180.0°
N1C9C7C10178.6°180.0°
N1C9C10C1622.6°0.1°
N1C9C7H715.5°156.7°
N1C9C7H7A104.5°83.5°
N1C9C10H10157.4°179.9°
O1C8O2C5179.4°180.0°
O1C8C5C458.9°179.2°
O1C8C5C6120.1°1.3°
C8O1C11C12136.7°22.4°
C8O1C11H11103.3°97.7°
C8O1C11H11A16.7°142.5°
C11O1C8O22.0°2.2°
C11O1C8C5178.5°177.8°
O1C11C12H11120.0°120.0°
O1C11C12H11A120.0°120.1°
O1C11C12C1354.0°107.4°
O1C11H11H11A120.8°119.8°
O1C11C12H12173.9°132.6°
O1C11C12H12A66.1°12.7°
C2C3C4C50.6°0.2°
C2C3C4C7177.7°179.8°
C3C2C1H1176.8°180.0°
C3C2O3HO35.0°90.0°
O3C2C3C4177.2°179.6°
O3C2C1H12.0°0.1°
C19N2C20C24162.3°179.8°
N2C19C18O563.4°180.0°
N2C19O6C18178.7°179.9°
C19N2C20C21110.8°126.4°
C19N2C24C23106.9°126.4°
N2C19C18H18176.6°60.0°
N2C19C18H18A56.6°60.1°
C19N2C20H20129.2°113.8°
C19N2C20H20A9.2°6.6°
C19N2C24H2413.2°6.7°
C19N2C24H24A133.1°113.8°
C20N2C19O6177.3°0.0°
C20N2C19C184.1°180.0°
N2C20C21H20120.0°119.8°
N2C20C21H20A120.0°119.8°
N2C20C21C2258.1°54.7°
C20N2C24C2355.4°53.3°
N2C20H20H20A119.7°120.3°
N2C20C21H21178.1°174.6°
N2C20C21H21A61.9°65.3°
C20N2C24H24175.4°173.1°
C20N2C24H24A64.6°66.4°
C24N2C19O616.7°179.7°
C24N2C19C18164.7°0.2°
C24N2C20C2151.5°53.4°
N2C24C23C2263.1°54.4°
N2C24C23H24120.0°119.8°
N2C24C23H24A120.0°119.9°
C24N2C20H2068.5°66.5°
C24N2C20H20A171.5°173.2°
N2C24C23H23176.9°174.5°
N2C24C23H23A56.9°65.5°
N2C24H24H24A119.1°120.4°
O2C8C5C4120.5°0.8°
O2C8C5C660.5°178.7°
C3C4C5C7177.0°179.9°
C3C4C5C60.1°1.0°
C3C4C5C8179.1°178.5°
C3C4C7C967.7°116.7°
C3C4C7H752.3°123.2°
C3C4C7H7A172.3°3.4°
C4C5C6O4179.5°178.9°
C4C5C6C8179.1°179.5°
C5C4C7C9109.3°63.4°
C5C4C7H7130.6°56.7°
C5C4C7H7A10.7°176.6°
C7C4C5C6176.9°178.9°
C7C4C5C82.1°1.6°
C4C7C9H7120.0°120.1°
C4C7C9H7A120.0°120.1°
C4C7C9C1043.1°143.4°
C4C7H7H7A119.3°119.9°
O4C6C5C81.4°1.6°
O4C6C1H12.0°0.8°
C5C6C1H1177.4°179.1°
C5C6O4HO40.5°90.0°
O5C18C19O6118.0°0.0°
O5C18C19H18120.0°120.0°
O5C18C19H18A120.0°120.0°
O5C18H18H18A119.3°120.0°
O6C19C18H182.0°120.0°
O6C19C18H18A122.0°120.0°
C7C9C10C16158.8°179.9°
C9C7H7H7A119.3°119.8°
C7C9C10H1021.2°0.1°
C9C10C16H10180.0°180.0°
C9C10C16C17178.4°179.7°
C10C9C7H7163.1°23.4°
C10C9C7H7A76.9°96.5°
C9C10C16H161.6°0.6°
C10C16C17C15110.2°85.9°
C10C16C17H16180.0°179.8°
C10C16C17H17129.8°154.1°
C10C16C17H17A9.8°34.1°
C11C12C13H12120.0°120.0°
C11C12C13H12A120.0°120.0°
C11C12C13C14116.0°165.2°
C12C11H11H11A120.8°119.9°
C11C12H12H12A120.0°120.0°
C11C12C13H1364.0°14.8°
C12C13C14H13180.0°180.0°
C12C13C14C15179.9°179.4°
C13C12C11H1166.0°12.7°
C13C12C11H11A174.0°132.5°
C13C12H12H12A119.9°120.0°
C12C13C14H140.1°1.0°
C13C14C15H14180.0°179.6°
C13C14C15C17110.8°116.7°
C14C13C12H12124.0°74.8°
C14C13C12H12A4.0°45.1°
C13C14C15H159.2°3.2°
C13C14C15H15A129.2°123.4°
C14C15C17H15120.0°120.0°
C14C15C17H15A120.0°119.9°
C14C15C17C1680.1°47.7°
C15C14C13H130.1°0.6°
C14C15H15H15A121.7°120.2°
C14C15C17H17159.9°167.6°
C14C15C17H17A39.9°72.3°
C15C17C16H17120.0°120.0°
C15C17C16H17A120.0°120.0°
C17C15C14H1469.2°63.7°
C17C15H15H15A121.7°120.1°
C15C17C16H1669.8°94.3°
C15C17H17H17A120.3°120.1°
C17C16C10H101.6°0.3°
C16C17C15H1539.9°72.3°
C16C17C15H15A159.9°167.6°
C16C17H17H17A120.3°120.1°
C19C18H18H18A119.3°120.0°
C20C21C22H21120.0°120.0°
C20C21C22H21A120.0°120.0°
C20C21C22C2369.4°61.4°
C21C20H20H20A119.7°120.4°
C20C21H21H21A120.8°120.1°
C20C21C22H2250.6°58.6°
C20C21C22H22A170.6°178.6°
C21C22C23H22120.0°120.0°
C21C22C23H22A120.0°120.0°
C21C22C23C2469.6°61.2°
C22C21C20H2061.9°65.2°
C22C21C20H20A178.1°174.4°
C22C21H21H21A120.7°120.0°
C21C22H22H22A121.4°120.0°
C21C22C23H23170.4°178.7°
C21C22C23H23A50.4°58.6°
C22C23C24H23120.0°120.0°
C22C23C24H23A120.0°119.9°
C23C22C21H21170.6°178.7°
C23C22C21H21A50.6°58.6°
C23C22H22H22A121.3°120.0°
C22C23H23H23A122.6°120.1°
C22C23C24H24176.9°174.3°
C22C23C24H24A56.9°65.4°
C24C23C22H2250.4°58.8°
C24C23C22H22A170.4°178.8°
C24C23H23H23A122.6°119.9°
C23C24H24H24A119.1°120.1°
H10C10C16H16178.3°179.4°
H11C11C12H1253.9°107.3°
H11C11C12H12A173.9°132.7°
H11AC11C12H1266.1°12.6°
H11AC11C12H12A54.0°107.4°
H12C12C13H1356.0°105.2°
H12AC12C13H13176.0°134.9°
H13C13C14H14179.9°179.0°
H14C14C15H15170.8°176.3°
H14C14C15H15A50.8°56.2°
H15C15C17H1780.1°47.6°
H15C15C17H17A159.9°167.7°
H15AC15C17H1739.9°72.4°
H15AC15C17H17A80.1°47.6°
H16C16C17H1750.2°25.7°
H16C16C17H17A170.2°145.7°
H20C20C21H2158.1°54.7°
H20C20C21H21A178.1°174.9°
H20AC20C21H2161.9°65.7°
H20AC20C21H21A58.1°54.5°
H21C21C22H2269.4°61.4°
H21C21C22H22A50.6°58.6°
H21AC21C22H22170.6°178.6°
H21AC21C22H22A69.4°61.4°
H22C22C23H2369.6°61.3°
H22C22C23H23A170.4°178.6°
H22AC22C23H2350.4°58.7°
H22AC22C23H23A69.6°61.5°
H23C23C24H2456.9°65.7°
H23C23C24H24A63.1°54.6°
H23AC23C24H2463.1°54.4°
H23AC23C24H24A176.9°174.6°

223532

PDB entries from 2024-08-07

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