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358

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CL1C1sing1.74Å1.69Å
C1C2doub1.38Å1.42ÅAromatic
C1C6sing1.39Å1.43ÅAromatic
C2C3sing1.38Å1.44ÅAromatic
C2H2sing1.08Å1.08Å
C3C4doub1.38Å1.44ÅAromatic
C3H3sing1.08Å1.08Å
C4C5sing1.38Å1.43ÅAromatic
C4H4sing1.08Å1.08Å
C5CL2sing1.74Å1.73Å
C5C6doub1.39Å1.43ÅAromatic
C6N1sing1.40Å1.43Å
N1C7sing1.34Å1.40Å
N1C11sing1.40Å1.43Å
C7O1doub1.21Å1.21Å
C7C8sing1.51Å1.57Å
C8C9sing1.53Å1.57Å
C8H81sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C9C10sing1.51Å1.65Å
C9H91sing1.09Å1.10Å
C9H92sing1.09Å1.10Å
C10C11doub1.39Å1.41ÅAromatic
C10C15sing1.39Å1.46ÅAromatic
C11C12sing1.39Å1.48ÅAromatic
C12C13doub1.38Å1.42ÅAromatic
C12H12sing1.08Å1.08Å
C13C14sing1.38Å1.46ÅAromatic
C13C22sing1.51Å1.58Å
C14C15doub1.39Å1.45ÅAromatic
C14H14sing1.08Å1.08Å
C15C16sing1.48Å1.51ÅAromatic
C16C17doub1.39Å1.44ÅAromatic
C16C21sing1.39Å1.46ÅAromatic
C17C18sing1.38Å1.44ÅAromatic
C17H17sing1.08Å1.08Å
C18C19doub1.39Å1.43ÅAromatic
C18H18sing1.08Å1.08Å
C19F1sing1.35Å1.33Å
C19C20sing1.38Å1.42ÅAromatic
C20C21doub1.38Å1.40ÅAromatic
C20H20sing1.08Å1.08Å
C21F2sing1.35Å1.35Å
C22C23sing1.53Å1.61Å
C22C26sing1.53Å1.60Å
C22H22sing1.09Å1.10Å
C23C24sing1.53Å1.58Å
C23H231sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C24N2sing1.47Å1.47Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
N2C25sing1.47Å1.46Å
N2HN2sing1.01Å1.00Å
C25C26sing1.53Å1.53Å
C25H251sing1.09Å1.10Å
C25H252sing1.09Å1.10Å
C26H261sing1.09Å1.10Å
C26H262sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CL1C1C2119.3°120.0°
CL1C1C6118.2°120.0°
C2C1C6122.5°119.9°
C1C2C3118.7°120.1°
C1C2H2120.6°119.9°
C1C6C5117.5°119.9°
C1C6N1122.3°120.1°
C3C2H2120.6°120.0°
C2C3C4120.7°120.1°
C2C3H3119.6°119.9°
C4C3H3119.6°120.0°
C3C4C5118.5°120.1°
C3C4H4120.7°119.9°
C5C4H4120.8°120.0°
C4C5CL2120.2°120.0°
C4C5C6122.1°119.9°
CL2C5C6117.7°120.0°
C5C6N1120.2°120.1°
C6N1C7118.3°119.6°
C6N1C11118.4°119.6°
C7N1C11123.2°120.8°
N1C7O1124.9°119.8°
N1C7C8116.2°120.5°
N1C11C10120.1°120.0°
N1C11C12123.3°120.1°
O1C7C8118.8°119.7°
C7C8C9112.1°109.7°
C7C8H81108.0°109.4°
C7C8H82108.6°109.5°
C9C8H81108.0°109.4°
C9C8H82108.6°109.4°
C8C9C10105.4°109.8°
C8C9H91111.7°109.4°
C8C9H92110.9°109.4°
H81C8H82111.5°109.4°
C10C9H91111.8°109.6°
C10C9H92110.9°109.2°
C9C10C11119.2°120.2°
C9C10C15116.7°119.9°
H91C9H92106.4°109.4°
C11C10C15124.1°119.8°
C10C11C12116.6°119.9°
C10C15C14116.1°119.8°
C10C15C16125.6°120.1°
C11C12C13123.5°120.3°
C11C12H12118.2°119.9°
C13C12H12118.2°119.8°
C12C13C14116.3°120.2°
C12C13C22120.8°120.0°
C14C13C22122.9°119.8°
C13C14C15123.4°119.9°
C13C14H14118.3°120.0°
C13C22C23120.9°109.6°
C13C22C26107.0°109.6°
C13C22H22104.3°109.5°
C15C14H14118.3°120.0°
C14C15C16118.3°120.1°
C15C16C17123.7°120.1°
C15C16C21117.9°120.1°
C17C16C21118.4°119.8°
C16C17C18119.3°119.9°
C16C17H17120.4°120.1°
C16C21C20122.3°119.9°
C16C21F2123.4°120.1°
C18C17H17120.3°120.0°
C17C18C19119.4°120.1°
C17C18H18120.3°119.9°
C19C18H18120.3°119.9°
C18C19F1119.5°119.9°
C18C19C20122.2°120.2°
F1C19C20118.4°119.9°
C19C20C21118.5°120.1°
C19C20H20120.8°119.9°
C21C20H20120.8°120.0°
C20C21F2114.3°120.1°
C23C22C26112.6°108.9°
C23C22H2297.5°109.6°
C22C23C24118.3°109.3°
C22C23H231104.6°109.5°
C22C23H232106.6°109.5°
C26C22H22114.2°109.6°
C22C26C25118.2°109.2°
C22C26H261104.6°109.5°
C22C26H262106.7°109.6°
C24C23H231104.6°109.5°
C24C23H232106.6°109.5°
C23C24N2113.4°109.8°
C23C24H241107.3°109.4°
C23C24H242108.2°109.4°
H231C23H232116.7°109.6°
N2C24H241107.3°109.4°
N2C24H242108.2°109.4°
C24N2C25111.0°107.3°
C24N2HN2108.9°106.7°
H241C24H242112.6°109.4°
C25N2HN2109.0°106.6°
N2C25C26110.1°109.8°
N2C25H251109.1°109.4°
N2C25H252109.3°109.5°
C26C25H251109.1°109.4°
C26C25H252109.2°109.5°
C25C26H261104.7°109.5°
C25C26H262106.7°109.5°
H251C25H252110.0°109.3°
H261C26H262116.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CL1C1C2C6179.4°180.0°
CL1C1C2C3179.3°180.0°
CL1C1C2H20.7°0.1°
CL1C1C6C5179.2°179.8°
CL1C1C6N10.5°0.0°
C1C2C3H2180.0°179.9°
C1C2C3C40.1°0.0°
C1C2C3H3179.9°179.9°
C2C1C6C50.2°0.3°
C2C1C6N1179.9°180.0°
C6C1C2C30.1°0.0°
C6C1C2H2179.9°179.9°
C1C6C5C40.1°0.5°
C1C6C5CL2179.4°180.0°
C1C6C5N1179.7°179.7°
C1C6N1C789.9°90.0°
C1C6N1C1191.4°90.0°
C2C3C4H3180.0°179.9°
C2C3C4C50.2°0.2°
C2C3C4H4179.8°180.0°
H2C2C3C4179.9°180.0°
H2C2C3H30.1°0.1°
C3C4C5H4180.0°179.8°
C3C4C5CL2179.6°180.0°
C3C4C5C60.1°0.4°
H3C3C4C5179.8°179.7°
H3C3C4H40.2°0.1°
C4C5CL2C6179.5°179.5°
C4C5C6N1179.8°179.8°
H4C4C5CL20.4°0.2°
H4C4C5C6179.9°179.8°
CL2C5C6N10.3°0.3°
C5C6N1C790.4°89.7°
C5C6N1C1188.3°90.3°
C6N1C7C11178.6°180.0°
C6N1C7O10.4°5.6°
C6N1C7C8179.0°174.4°
C6N1C11C10157.3°164.9°
C6N1C11C1221.5°14.1°
N1C7O1C8179.4°180.0°
N1C7C8C940.2°37.9°
N1C7C8H81159.0°82.2°
N1C7C8H8279.8°157.9°
C7N1C11C1021.3°15.1°
C7N1C11C12159.9°165.9°
C11N1C7O1179.0°174.4°
C11N1C7C80.4°5.6°
N1C11C10C91.6°0.0°
N1C11C10C12178.8°179.1°
N1C11C10C15178.1°179.2°
N1C11C12C13178.8°179.6°
N1C11C12H121.2°0.4°
O1C7C8C9139.3°142.1°
O1C7C8H8120.4°97.8°
O1C7C8H82100.7°22.1°
C7C8C9H81118.9°120.1°
C7C8C9H82120.0°120.1°
C7C8H81H82119.3°119.9°
C7C8C9C1053.1°48.0°
C7C8C9H9168.5°168.3°
C7C8C9H92173.1°71.8°
C9C8H81H82119.3°119.8°
C8C9C10H91121.5°120.2°
C8C9C10H92120.0°119.9°
C8C9H91H92121.1°119.8°
C8C9C10C1134.6°32.2°
C8C9C10C15145.6°147.0°
H81C8C9C10172.0°72.0°
H81C8C9H9150.4°48.3°
H81C8C9H9268.0°168.1°
H82C8C9C1066.9°168.1°
H82C8C9H91171.5°71.5°
H82C8C9H9253.1°48.3°
C10C9H91H92121.1°119.7°
C9C10C11C15179.8°179.3°
C9C10C11C12179.5°179.0°
C9C10C15C14179.6°179.6°
C9C10C15C161.5°0.1°
H91C9C10C1187.0°152.5°
H91C9C10C1592.8°26.8°
H92C9C10C11154.6°87.7°
H92C9C10C1525.6°93.0°
C10C11C12C130.0°1.3°
C10C11C12H12180.0°178.7°
C11C10C15C140.6°1.2°
C11C10C15C16178.3°179.1°
C15C10C11C120.7°1.7°
C10C15C14C130.1°0.2°
C10C15C14C16179.1°179.7°
C10C15C14H14179.9°180.0°
C10C15C16C17112.1°120.3°
C10C15C16C2167.6°59.7°
C11C12C13H12180.0°180.0°
C11C12C13C140.7°0.3°
C11C12C13C22179.8°179.7°
C12C13C14C22179.1°180.0°
C12C13C14C150.7°0.3°
C12C13C14H14179.3°179.6°
C12C13C22C23171.3°120.0°
C12C13C22C2658.0°120.5°
C12C13C22H2263.3°0.3°
H12C12C13C14179.3°179.7°
H12C12C13C220.2°0.3°
C13C14C15H14180.0°179.8°
C13C14C15C16179.1°179.9°
C14C13C22C237.7°60.0°
C14C13C22C26122.9°59.5°
C14C13C22H22115.7°179.7°
C22C13C14C15179.8°179.8°
C22C13C14H140.1°0.4°
C13C22C23C26128.2°119.9°
C13C22C23H22111.6°120.2°
C13C22C26H22114.9°120.2°
C13C22C23C24124.6°175.5°
C13C22C23H231119.6°64.6°
C13C22C23H2324.6°55.5°
C13C22C26C25122.0°175.5°
C13C22C26H2616.1°55.6°
C13C22C26H262118.0°64.6°
C14C15C16C1768.9°60.0°
C14C15C16C21111.4°120.0°
H14C14C15C160.8°0.3°
C15C16C17C21179.7°180.0°
C15C16C17C18179.5°180.0°
C15C16C17H170.5°0.0°
C15C16C21C20179.5°179.7°
C15C16C21F20.3°0.1°
C16C17C18H17180.0°180.0°
C16C17C18C190.1°0.0°
C16C17C18H18179.9°180.0°
C17C16C21C200.2°0.3°
C17C16C21F2180.0°179.9°
C21C16C17C180.2°0.0°
C21C16C17H17179.8°179.9°
C16C21C20C190.1°0.5°
C16C21C20F2179.8°179.6°
C16C21C20H20180.0°180.0°
C17C18C19H18180.0°180.0°
C17C18C19F1179.7°180.0°
C17C18C19C200.3°0.2°
H17C17C18C19179.9°180.0°
H17C17C18H180.1°0.0°
C18C19F1C20180.0°179.8°
C18C19C20C210.3°0.5°
C18C19C20H20179.7°180.0°
H18C18C19F10.4°0.0°
H18C18C19C20179.6°179.8°
F1C19C20C21179.7°179.7°
F1C19C20H200.3°0.2°
C19C20C21H20180.0°179.5°
C19C20C21F2179.8°179.8°
H20C20C21F20.2°0.3°
C23C22C26H22110.0°119.9°
C22C23C24H231115.8°119.9°
C22C23C24H232120.0°119.9°
C22C23H231H232117.5°120.1°
C22C23C24N225.8°61.4°
C22C23C24H241144.1°58.7°
C22C23C24H24294.1°178.5°
C23C22C26C2513.1°55.5°
C23C22C26H261129.0°64.4°
C23C22C26H262106.9°175.4°
C26C22C23C243.5°55.6°
C26C22C23H231112.3°175.5°
C26C22C23H232123.5°64.4°
C22C26C25N245.1°61.3°
C22C26C25H261115.9°119.9°
C22C26C25H262120.0°119.9°
C22C26C25H251164.8°58.7°
C22C26C25H25274.9°178.5°
C22C26H261H262117.5°120.2°
H22C22C23C24123.7°64.3°
H22C22C23H2317.9°55.6°
H22C22C23H232116.3°175.7°
H22C22C26C25123.2°64.3°
H22C22C26H261120.9°175.8°
H22C22C26H2623.1°55.6°
C24C23H231H232117.5°120.1°
C23C24N2H241118.3°120.1°
C23C24N2H242120.0°120.1°
C23C24H241H242118.9°119.9°
C23C24N2C2559.7°65.7°
C23C24N2HN2179.7°179.7°
H231C23C24N290.0°178.7°
H231C23C24H24128.3°61.2°
H231C23C24H242150.1°58.6°
H232C23C24N2145.9°58.5°
H232C23C24H24195.9°178.6°
H232C23C24H24225.9°61.6°
N2C24H241H242118.9°119.8°
C24N2C25HN2120.0°114.0°
C24N2C25C2669.3°65.7°
C24N2C25H251170.9°54.4°
C24N2C25H25250.6°174.2°
H241C24N2C25178.0°54.4°
H241C24N2HN262.0°59.6°
H242C24N2C2560.3°174.3°
H242C24N2HN259.7°60.2°
N2C25C26H251119.8°120.1°
N2C25C26H252120.0°120.1°
N2C25H251H252119.8°119.9°
N2C25C26H261160.9°58.5°
N2C25C26H26275.0°178.7°
HN2N2C25C26170.7°179.7°
HN2N2C25H25150.9°59.6°
HN2N2C25H25269.3°60.1°
C26C25H251H252119.8°119.9°
C25C26H261H262117.5°120.1°
H251C25C26H26179.3°178.6°
H251C25C26H26244.8°61.2°
H252C25C26H26141.0°61.6°
H252C25C26H262165.1°58.6°

222415

PDB entries from 2024-07-10

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