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410

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1doub1.38Å1.40ÅAromatic
C1C6sing1.38Å1.40ÅAromatic
C1H1sing1.08Å1.08Å
C2C3sing1.38Å1.40ÅAromatic
C2H2sing1.08Å1.08Å
C3C4doub1.40Å1.41ÅAromatic
C3H3sing1.08Å1.08Å
C4C5sing1.40Å1.40ÅAromatic
C4C7sing1.48Å1.50Å
C6C5doub1.38Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C7O1doub1.22Å1.23Å
C7N1sing1.35Å1.41Å
C8N1sing1.40Å1.44Å
N1C21sing1.46Å1.50Å
C9C8doub1.39Å1.40ÅAromatic
C8C13sing1.39Å1.41ÅAromatic
C9C10sing1.38Å1.40ÅAromatic
C9H9sing1.08Å1.08Å
C10C11doub1.38Å1.40ÅAromatic
C10H10sing1.08Å1.08Å
C11C12sing1.40Å1.41ÅAromatic
C11H11sing1.08Å1.08Å
C13C12doub1.39Å1.41ÅAromatic
C12C14sing1.48Å1.47ÅAromatic
C13H13sing1.08Å1.08Å
S1C14sing1.76Å1.72ÅAromatic
C14C15doub1.36Å1.38ÅAromatic
C15C16sing1.37Å1.42ÅAromatic
C15BR1sing1.89Å1.90Å
C17C16doub1.37Å1.38ÅAromatic
C16O4sing1.36Å1.37Å
S1C17sing1.76Å1.71ÅAromatic
C18C17sing1.41Å1.56Å
O2C18doub1.22Å1.27Å
C18O3sing1.35Å1.26Å
O3HO3sing0.97Å0.95Å
C19O4sing1.43Å1.43Å
C19C20sing1.51Å1.54Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20O5doub1.21Å1.25Å
C20O6sing1.34Å1.26Å
O6HO6sing0.97Å0.95Å
C22C21sing1.53Å1.53Å
C21C26sing1.53Å1.54Å
C21H21sing1.09Å1.10Å
C22C23sing1.53Å1.52Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23C24sing1.53Å1.53Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
C24C25sing1.53Å1.53Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C26C25sing1.53Å1.54Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6119.2°120.3°
C2C1H1120.4°119.8°
C1C2C3120.3°120.1°
C1C2H2119.9°119.9°
C6C1H1120.4°119.8°
C1C6C5120.7°120.1°
C1C6H6119.6°119.9°
C3C2H2119.8°120.0°
C2C3C4120.5°119.9°
C2C3H3119.7°120.0°
C4C3H3119.7°120.1°
C3C4C5119.0°119.7°
C3C4C7119.0°120.2°
C5C4C7122.0°120.1°
C4C5C6120.3°119.9°
C4C5H5119.9°120.1°
C4C7O1117.3°120.0°
C4C7N1119.1°120.0°
C6C5H5119.9°120.1°
C5C6H6119.6°119.9°
O1C7N1123.6°120.0°
C7N1C8121.2°120.0°
C7N1C21119.4°120.0°
C8N1C21119.3°120.0°
N1C8C9123.1°120.0°
N1C8C13118.0°120.0°
N1C21C22113.1°109.5°
N1C21C26114.1°109.5°
N1C21H21104.3°109.5°
C9C8C13119.0°120.0°
C8C9C10119.9°120.2°
C8C9H9120.0°119.8°
C8C13C12121.7°119.8°
C8C13H13119.2°120.1°
C10C9H9120.1°119.9°
C9C10C11120.9°120.2°
C9C10H10119.6°119.9°
C11C10H10119.5°119.9°
C10C11C12120.2°120.0°
C10C11H11119.9°120.0°
C12C11H11119.9°120.0°
C11C12C13118.3°119.8°
C11C12C14121.3°120.1°
C13C12C14120.4°120.1°
C12C13H13119.2°120.1°
C12C14S1118.0°125.0°
C12C14C15131.3°125.1°
S1C14C15110.7°109.9°
C14S1C1791.9°91.2°
C14C15C16114.1°114.8°
C14C15BR1125.2°122.6°
C16C15BR1120.7°122.6°
C15C16C17110.1°114.5°
C15C16O4124.4°122.8°
C17C16O4125.4°122.7°
C16C17S1113.1°109.6°
C16C17C18128.4°125.2°
C16O4C19116.4°117.0°
S1C17C18118.4°125.2°
C17C18O2113.8°120.0°
C17C18O3118.7°120.0°
O2C18O3127.4°120.0°
C18O3HO3109.5°114.0°
O4C19C20105.9°109.5°
O4C19H19110.7°109.5°
O4C19H19A111.5°109.5°
C20C19H19110.7°109.5°
C20C19H19A111.5°109.5°
C19C20O5116.2°120.0°
C19C20O6116.6°120.0°
H19C19H19A106.7°109.4°
O5C20O6127.2°120.0°
C20O6HO6109.5°116.9°
C22C21C26111.9°109.5°
C22C21H21106.8°109.5°
C21C22C23110.5°109.5°
C21C22H22109.1°109.5°
C21C22H22A108.9°109.5°
C26C21H21105.7°109.5°
C21C26C25113.0°109.5°
C21C26H26108.3°109.5°
C21C26H26A107.5°109.5°
C23C22H22109.2°109.5°
C23C22H22A108.9°109.5°
C22C23C24109.4°109.5°
C22C23H23109.5°109.5°
C22C23H23A109.6°109.5°
H22C22H22A110.2°109.5°
C24C23H23109.5°109.4°
C24C23H23A109.5°109.4°
C23C24C25110.7°109.5°
C23C24H24109.1°109.4°
C23C24H24A108.8°109.5°
H23C23H23A109.4°109.4°
C25C24H24109.1°109.5°
C25C24H24A108.8°109.5°
C24C25C26113.0°109.5°
C24C25H25108.3°109.5°
C24C25H25A107.5°109.5°
H24C24H24A110.4°109.5°
C26C25H25108.3°109.5°
C26C25H25A107.5°109.5°
C25C26H26108.3°109.4°
C25C26H26A107.5°109.5°
H25C25H25A112.2°109.5°
H26C26H26A112.2°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°179.7°
C1C2C3H2180.0°179.9°
C1C2C3C40.2°0.0°
C1C2C3H3179.8°179.9°
C2C1C6C50.2°0.0°
C2C1C6H6179.8°179.7°
C6C1C2C30.2°0.1°
C6C1C2H2179.8°180.0°
C1C6C5C40.2°0.1°
C1C6C5H6180.0°179.7°
C1C6C5H5179.9°179.9°
H1C1C2C3179.8°179.8°
H1C1C2H20.3°0.3°
H1C1C6C5179.8°179.7°
H1C1C6H60.2°0.0°
C2C3C4H3180.0°180.0°
C2C3C4C50.1°0.0°
C2C3C4C7179.8°180.0°
H2C2C3C4179.8°180.0°
H2C2C3H30.2°0.0°
C3C4C5C7179.9°180.0°
C3C4C5C60.1°0.1°
C3C4C5H5179.9°179.9°
C3C4C7O1112.8°31.7°
C3C4C7N166.3°148.2°
H3C3C4C5179.9°180.0°
H3C3C4C70.2°0.0°
C4C5C6H5180.0°179.9°
C4C5C6H6179.8°179.8°
C5C4C7O167.1°148.3°
C5C4C7N1113.8°31.7°
C7C4C5C6179.8°179.9°
C7C4C5H50.2°0.1°
C4C7O1N1179.0°179.9°
C4C7N1C82.2°133.7°
C4C7N1C21179.7°46.3°
H5C5C6H60.2°0.4°
O1C7N1C8178.8°46.2°
O1C7N1C210.7°133.8°
C7N1C8C21178.1°180.0°
C7N1C8C9105.1°174.0°
C7N1C8C1374.7°6.2°
C7N1C21C22112.7°30.6°
C7N1C21C26117.8°89.4°
C7N1C21H213.0°150.6°
N1C8C9C13179.8°179.7°
N1C8C9C10180.0°180.0°
N1C8C9H90.0°0.1°
N1C8C13C12180.0°179.7°
N1C8C13H130.0°0.0°
C8N1C21C2269.1°149.4°
C8N1C21C2660.3°90.6°
C8N1C21H21175.2°29.4°
C21N1C8C976.8°6.0°
C21N1C8C13103.4°173.7°
N1C21C22C26130.5°120.0°
N1C21C22H21114.2°120.0°
N1C21C26H21114.0°120.0°
N1C21C22C23173.9°180.0°
N1C21C22H2266.1°60.0°
N1C21C22H22A54.3°60.0°
N1C21C26C25178.2°180.0°
N1C21C26H2661.8°60.0°
N1C21C26H26A59.7°60.0°
C8C9C10H9180.0°179.9°
C8C9C10C110.1°0.1°
C8C9C10H10180.0°180.0°
C9C8C13C120.2°0.6°
C9C8C13H13179.8°179.7°
C13C8C9C100.2°0.3°
C13C8C9H9179.8°179.8°
C8C13C12C110.1°0.5°
C8C13C12H13180.0°179.7°
C8C13C12C14179.1°179.7°
C9C10C11H10180.0°180.0°
C9C10C11C120.1°0.1°
C9C10C11H11179.9°180.0°
H9C9C10C11179.9°180.0°
H9C9C10H100.1°0.1°
C10C11C12H11180.0°179.9°
C10C11C12C130.0°0.3°
C10C11C12C14178.9°179.9°
H10C10C11C12179.9°180.0°
H10C10C11H110.1°0.1°
C11C12C13C14179.0°179.8°
C11C12C13H13179.9°179.7°
C11C12C14S138.9°129.0°
C11C12C14C15141.4°50.7°
H11C11C12C13179.9°179.8°
H11C11C12C141.1°0.0°
C13C12C14S1140.1°50.8°
C13C12C14C1539.6°129.5°
C14C12C13H130.9°0.0°
C12C14S1C15179.8°179.8°
C12C14C15C16179.6°180.0°
C12C14C15BR10.2°0.0°
C12C14S1C17179.7°179.9°
S1C14C15C160.1°0.2°
S1C14C15BR1179.9°179.8°
C14S1C17C161.0°0.3°
C14S1C17C18179.7°179.9°
C14C15C16BR1179.8°180.0°
C14C15C16C170.8°0.0°
C14C15C16O4178.7°180.0°
C15C14S1C170.5°0.3°
C15C16C17O4177.8°180.0°
C15C16C17S11.2°0.3°
C15C16C17C18179.8°180.0°
C15C16O4C1990.7°90.0°
BR1C15C16C17179.4°180.0°
BR1C15C16O41.5°0.0°
C16C17S1C18178.7°179.7°
C16C17C18O2163.7°0.0°
C16C17C18O317.4°180.0°
C17C16O4C1991.8°90.0°
O4C16C17S1179.0°179.8°
O4C16C17C182.4°0.0°
C16O4C19C20175.5°180.0°
C16O4C19H1955.5°59.9°
C16O4C19H19A63.1°60.0°
S1C17C18O214.8°179.7°
S1C17C18O3164.1°0.3°
C17C18O2O3178.8°180.0°
C17C18O3HO3178.8°180.0°
O2C18O3HO30.0°0.0°
O4C19C20H19120.0°120.0°
O4C19C20H19A121.4°120.0°
O4C19H19H19A121.5°120.0°
O4C19C20O5171.8°0.0°
O4C19C20O67.6°180.0°
C20C19H19H19A121.5°120.0°
C19C20O5O6179.3°180.0°
C19C20O6HO6179.3°180.0°
H19C19C20O551.7°120.0°
H19C19C20O6127.6°60.0°
H19AC19C20O566.8°120.0°
H19AC19C20O6113.8°60.0°
O5C20O6HO60.0°0.0°
C22C21C26H21115.9°120.0°
C21C22C23H22120.0°120.0°
C21C22C23H22A119.6°120.0°
C21C22H22H22A119.6°120.0°
C21C22C23C2461.6°60.0°
C21C22C23H23178.4°180.0°
C21C22C23H23A58.4°60.0°
C22C21C26C2548.2°60.0°
C22C21C26H26168.2°180.0°
C22C21C26H26A70.3°60.0°
C26C21C22C2355.6°60.0°
C26C21C22H2264.4°60.0°
C26C21C22H22A175.2°180.0°
C21C26C25C2447.4°60.0°
C21C26C25H26120.0°120.0°
C21C26C25H26A118.5°120.0°
C21C26C25H25167.4°180.0°
C21C26C25H25A71.1°60.0°
C21C26H26H26A118.5°120.1°
H21C21C22C2359.7°60.0°
H21C21C22H22179.7°180.0°
H21C21C22H22A59.9°60.0°
H21C21C26C2567.8°60.0°
H21C21C26H2652.3°59.9°
H21C21C26H26A173.8°180.0°
C23C22H22H22A119.6°120.0°
C22C23C24H23120.0°120.0°
C22C23C24H23A120.1°120.1°
C22C23H23H23A120.1°120.1°
C22C23C24C2560.4°60.0°
C22C23C24H2459.6°60.0°
C22C23C24H24A179.9°180.0°
H22C22C23C2458.4°60.0°
H22C22C23H2361.6°60.0°
H22C22C23H23A178.4°180.0°
H22AC22C23C24178.8°180.0°
H22AC22C23H2358.8°60.0°
H22AC22C23H23A61.2°60.0°
C24C23H23H23A120.0°119.9°
C23C24C25H24120.0°120.0°
C23C24C25H24A119.5°120.0°
C23C24H24H24A119.5°120.0°
C23C24C25C2653.4°60.0°
C23C24C25H25173.5°180.0°
C23C24C25H25A65.1°60.0°
H23C23C24C25179.6°180.0°
H23C23C24H2460.4°60.0°
H23C23C24H24A60.1°59.9°
H23AC23C24C2559.7°60.1°
H23AC23C24H24179.7°179.9°
H23AC23C24H24A59.8°60.0°
C25C24H24H24A119.5°120.0°
C24C25C26H25120.0°120.0°
C24C25C26H25A118.5°120.0°
C24C25H25H25A118.6°120.0°
C24C25C26H26167.4°180.0°
C24C25C26H26A71.1°60.0°
H24C24C25C2666.6°60.0°
H24C24C25H2553.5°60.0°
H24C24C25H25A175.0°180.0°
H24AC24C25C26172.9°180.0°
H24AC24C25H2567.1°60.0°
H24AC24C25H25A54.4°60.0°
C26C25H25H25A118.6°120.0°
C25C26H26H26A118.6°120.0°
H25C25C26H2672.6°60.0°
H25C25C26H26A48.9°60.0°
H25AC25C26H2648.9°60.0°
H25AC25C26H26A170.4°180.0°

225946

PDB entries from 2024-10-09

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