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92S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F1C11sing1.35Å1.36Å
C11C10doub1.39Å1.37ÅAromatic
C11C12sing1.39Å1.36ÅAromatic
C10C9sing1.38Å1.38ÅAromatic
C12C13doub1.38Å1.39ÅAromatic
C9C8doub1.40Å1.39ÅAromatic
C13C8sing1.40Å1.39ÅAromatic
C8C7sing1.47Å1.49Å
C7C6sing1.51Å1.51Å
C7O1doub1.21Å1.23Å
C6C5sing1.53Å1.53Å
C5C4sing1.53Å1.50Å
C4N1sing1.47Å1.47Å
N1C3sing1.47Å1.47Å
N1C14sing1.46Å1.47Å
C3C2sing1.52Å1.52Å
C14C15sing1.52Å1.53Å
C2C1sing1.51Å1.50Å
C15C1sing1.53Å1.58Å
C15C16sing1.52Å1.51Å
C1N2sing1.47Å1.47Å
N2C21sing1.41Å1.42Å
N2C22sing1.47Å1.47Å
C16C17sing1.38Å1.39ÅAromatic
C16C21doub1.38Å1.39ÅAromatic
C17C18doub1.39Å1.42ÅAromatic
C21C20sing1.40Å1.40ÅAromatic
C22C23sing1.53Å1.52Å
C18C19sing1.39Å1.39ÅAromatic
C23N3sing1.46Å1.47Å
C20C19doub1.38Å1.41ÅAromatic
C20N3sing1.39Å1.39Å
N3C24sing1.47Å1.46Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C10H8sing1.08Å1.08Å
C13H9sing1.08Å1.08Å
C15H10sing1.09Å1.10Å
C17H11sing1.08Å1.08Å
C22H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C24H14sing1.09Å1.10Å
C24H15sing1.09Å1.10Å
C24H16sing1.09Å1.10Å
C1H17sing1.09Å1.10Å
C2H18sing1.09Å1.10Å
C2H19sing1.09Å1.10Å
C3H20sing1.09Å1.10Å
C3H21sing1.09Å1.10Å
C9H22sing1.08Å1.08Å
C12H23sing1.08Å1.08Å
C14H24sing1.09Å1.10Å
C14H25sing1.09Å1.10Å
C18H26sing1.08Å1.08Å
C19H27sing1.08Å1.08Å
C23H28sing1.09Å1.10Å
C23H29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F1C11C10118.8°119.8°
F1C11C12118.2°119.9°
C10C11C12123.0°120.3°
C11C10C9118.6°120.1°
C11C10H8120.7°119.9°
C11C12C13117.9°120.2°
C11C12H23121.1°119.9°
C10C9C8121.0°119.9°
C9C10H8120.7°120.0°
C10C9H22119.5°120.0°
C12C13C8121.4°119.8°
C12C13H9119.3°120.1°
C13C12H23121.0°119.9°
C9C8C13118.1°119.7°
C9C8C7119.7°120.2°
C8C9H22119.5°120.1°
C13C8C7122.2°120.1°
C8C13H9119.3°120.1°
C8C7C6119.8°120.0°
C8C7O1119.6°120.1°
C6C7O1120.6°120.0°
C7C6C5109.6°109.5°
C7C6H6109.5°109.5°
C7C6H7109.4°109.4°
C6C5C4115.3°109.5°
C6C5H4108.0°109.5°
C6C5H5108.0°109.5°
C5C6H6109.4°109.5°
C5C6H7109.4°109.5°
C5C4N1110.9°109.5°
C5C4H2109.1°109.5°
C5C4H3109.1°109.5°
C4C5H4108.0°109.4°
C4C5H5108.0°109.5°
C4N1C3110.3°111.0°
C4N1C14112.7°111.0°
N1C4H2109.1°109.4°
N1C4H3109.1°109.4°
C3N1C14112.0°110.3°
N1C3C2111.1°108.6°
N1C3H20109.0°109.7°
N1C3H21109.1°109.6°
N1C14C15114.3°112.4°
N1C14H24108.2°108.9°
N1C14H25108.3°108.9°
C3C2C1111.9°112.4°
C3C2H18108.9°108.9°
C3C2H19108.8°108.9°
C2C3H20109.0°109.6°
C2C3H21109.1°109.6°
C14C15C1114.3°113.6°
C14C15C16108.2°108.5°
C14C15H10110.9°111.1°
C15C14H24108.2°108.9°
C15C14H25108.3°108.9°
C2C1C15114.1°115.0°
C2C1N2112.7°112.4°
C2C1H17109.1°108.5°
C1C2H18108.9°108.9°
C1C2H19108.9°108.9°
C1C15C16101.7°102.2°
C15C1N2103.1°102.5°
C1C15H10110.2°110.5°
C15C1H17108.2°109.1°
C15C16C17133.0°133.7°
C15C16C21107.4°106.9°
C16C15H10111.1°110.5°
C1N2C21105.7°105.4°
C1N2C22122.4°114.8°
N2C1H17109.4°109.1°
C21N2C22110.5°105.9°
N2C21C16112.5°111.4°
N2C21C20124.6°127.2°
N2C22C23108.6°108.0°
N2C22H12109.7°109.8°
N2C22H13109.7°109.8°
C17C16C21119.4°119.4°
C16C17C18118.8°119.6°
C16C17H11120.6°120.2°
C16C21C20122.6°121.4°
C17C18C19121.5°121.0°
C18C17H11120.6°120.2°
C17C18H26119.3°119.5°
C21C20C19118.1°118.6°
C21C20N3116.3°118.8°
C22C23N3110.3°113.6°
C23C22H12109.7°109.7°
C23C22H13109.7°109.7°
C22C23H28109.3°108.6°
C22C23H29109.3°108.7°
C18C19C20119.6°119.8°
C19C18H26119.2°119.5°
C18C19H27120.2°120.1°
C23N3C20121.0°115.0°
C23N3C24116.8°111.0°
N3C23H28109.3°108.6°
N3C23H29109.3°108.7°
C19C20N3125.6°122.6°
C20C19H27120.2°120.1°
C20N3C24122.2°111.0°
N3C24H14109.5°109.4°
N3C24H15109.5°109.5°
N3C24H16109.5°109.4°
H2C4H3109.5°109.5°
H4C5H5109.5°109.4°
H6C6H7109.5°109.5°
H12C22H13109.5°109.8°
H14C24H15109.4°109.5°
H14C24H16109.5°109.4°
H15C24H16109.5°109.5°
H18C2H19109.5°108.9°
H20C3H21109.5°109.8°
H24C14H25109.5°108.8°
H28C23H29109.4°108.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F1C11C10C12179.5°179.7°
F1C11C10C9179.6°180.0°
F1C11C12C13178.5°180.0°
F1C11C10H80.4°0.1°
F1C11C12H231.5°0.3°
C11C10C9H8180.0°179.9°
C10C11C12C131.0°0.3°
C11C10C9C82.7°0.0°
C11C10C9H22177.3°180.0°
C10C11C12H23179.0°180.0°
C12C11C10C90.8°0.3°
C11C12C13H23180.0°179.7°
C11C12C13C81.0°0.0°
C12C11C10H8179.1°179.7°
C11C12C13H9179.0°179.9°
C10C9C8H22180.0°180.0°
C10C9C8C132.6°0.3°
C10C9C8C7178.8°180.0°
C12C13C8C90.7°0.3°
C12C13C8H9180.0°179.9°
C12C13C8C7179.3°180.0°
C9C8C13C7178.5°179.7°
C9C8C7C60.6°0.3°
C9C8C7O1178.2°179.7°
C8C9C10H8177.3°179.9°
C9C8C13H9179.3°179.8°
C13C8C7C6179.1°180.0°
C13C8C7O10.3°0.0°
C13C8C9H22177.4°179.7°
C8C13C12H23179.0°179.7°
C8C7C6O1178.8°180.0°
C8C7C6C5179.3°180.0°
C8C7C6H659.3°60.0°
C8C7C6H760.6°60.0°
C7C8C13H90.7°0.1°
C7C8C9H221.2°0.0°
C7C6C5H6120.0°120.0°
C7C6C5H7120.0°120.0°
C7C6C5C4174.3°180.0°
C7C6C5H453.4°60.0°
C7C6C5H564.9°60.0°
C7C6H6H7119.9°120.0°
O1C7C6C51.9°0.0°
O1C7C6H6121.9°120.0°
O1C7C6H7118.2°120.0°
C6C5C4H4120.9°120.0°
C6C5C4H5120.9°120.1°
C6C5C4N1175.7°180.0°
C6C5C4H255.5°60.0°
C6C5C4H364.1°60.0°
C6C5H4H5117.4°120.0°
C5C6H6H7119.9°120.0°
C5C4N1H2120.2°120.0°
C5C4N1H3120.2°120.0°
C5C4N1C3171.7°66.0°
C5C4N1C1462.3°170.9°
C5C4H2H3119.4°120.1°
C4C5H4H5117.3°120.0°
C4C5C6H665.7°60.0°
C4C5C6H754.2°60.0°
C4N1C3C14126.4°123.5°
C4N1C3C2171.1°170.2°
C4N1C14C15178.1°175.4°
N1C4H2H3119.3°119.9°
N1C4C5H463.4°60.0°
N1C4C5H554.8°59.9°
C4N1C3H2068.7°70.1°
C4N1C3H2150.8°50.5°
C4N1C14H2461.2°54.7°
C4N1C14H2557.3°63.9°
N1C3C2H20120.2°119.8°
N1C3C2H21120.3°119.7°
C3N1C14C1553.0°61.1°
N1C3C2C158.2°56.5°
C3N1C4H268.1°54.0°
C3N1C4H351.5°173.9°
N1C3C2H18178.6°64.2°
N1C3C2H1962.2°177.2°
N1C3H20H21119.3°120.5°
C3N1C14H24173.7°178.2°
C3N1C14H2567.7°59.6°
C14N1C3C262.5°66.4°
N1C14C15H24120.7°120.7°
N1C14C15H25120.7°120.7°
N1C14C15C138.9°44.7°
N1C14C15C16151.4°157.7°
C14N1C4H257.9°69.1°
C14N1C4H3177.5°50.8°
N1C14C15H1086.4°80.6°
C14N1C3H2057.7°53.4°
C14N1C3H21177.2°174.0°
N1C14H24H25117.8°118.6°
C3C2C1H18120.4°120.7°
C3C2C1H19120.4°120.7°
C3C2C1C1544.2°42.1°
C3C2C1N273.0°74.7°
C3C2C1H17165.3°164.6°
C3C2H18H19118.9°118.6°
C2C3H20H21119.3°120.4°
C14C15C1C235.1°35.9°
C14C15C1C16116.3°116.7°
C14C15C1H10125.7°125.6°
C14C15C16H10122.0°122.1°
C14C15C1N287.4°86.4°
C14C15C16C1771.2°75.8°
C14C15C16C21102.5°103.5°
C14C15C1H17156.7°158.1°
C15C14H24H25117.8°118.5°
C2C1C15N2122.5°122.3°
C2C1C15H17121.6°122.2°
C2C1C15C16151.4°152.6°
C2C1N2H17121.5°120.4°
C2C1N2C21153.1°157.7°
C2C1N2C2279.4°86.2°
C2C1C15H1090.6°89.7°
C1C2H18H19118.9°118.6°
C1C2C3H2062.0°63.3°
C1C2C3H21178.4°176.2°
C1C15C16H10117.3°117.6°
C15C1N2H17115.0°115.5°
C15C1N2C2129.6°33.6°
C15C1N2C22157.2°149.7°
C1C15C16C17168.1°163.9°
C1C15C16C2118.2°16.8°
C15C1C2H18164.6°78.6°
C15C1C2H1976.1°162.8°
C1C15C14H24159.7°165.4°
C1C15C14H2581.8°76.0°
C16C15C1N228.9°30.3°
C15C16C21N20.2°4.1°
C15C16C17C21173.1°179.3°
C15C16C17C18172.8°178.3°
C15C16C21C20174.2°175.5°
C15C16C17H117.2°1.7°
C16C15C1H1787.0°85.3°
C16C15C14H2487.8°81.6°
C16C15C14H2530.7°36.9°
C1N2C21C22134.4°122.1°
C1N2C21C1619.5°24.5°
C1N2C21C20166.2°155.1°
C1N2C22C23178.5°172.5°
N2C1C15H10146.8°147.9°
C1N2C22H1258.6°67.8°
C1N2C22H1361.7°52.9°
N2C1C2H1847.4°164.6°
N2C1C2H19166.7°46.0°
N2C21C16C17174.9°175.4°
N2C21C16C20174.4°179.6°
C21N2C22C2356.1°56.7°
N2C21C20C19174.2°176.1°
N2C21C20N35.2°5.6°
C21N2C22H12176.0°176.3°
C21N2C22H1363.7°62.9°
C21N2C1H1785.4°82.0°
C22N2C21C16153.9°146.5°
C22N2C21C2031.8°33.0°
N2C22C23H12119.9°119.7°
N2C22C23H13119.8°119.6°
N2C22C23N356.9°61.6°
N2C22H12H13120.4°120.8°
C22N2C1H1742.2°34.2°
N2C22C23H2863.2°177.4°
N2C22C23H29177.0°59.5°
C16C17C18H11180.0°180.0°
C17C16C21C200.5°5.0°
C16C17C18C190.2°0.8°
C17C16C15H1050.8°46.2°
C16C17C18H26179.7°179.2°
C21C16C17C180.4°2.4°
C16C21C20C190.5°4.3°
C16C21C20N3178.9°173.9°
C21C16C15H10135.5°134.4°
C21C16C17H11179.6°177.6°
C17C18C19H26180.0°180.0°
C17C18C19C200.2°1.4°
C17C18C19H27179.8°178.6°
C21C20C19C180.4°1.1°
C21C20N3C235.9°5.1°
C21C20C19N3179.4°178.1°
C21C20N3C24174.8°132.2°
C21C20C19H27179.7°178.9°
C22C23N3H28120.1°121.0°
C22C23N3H29120.1°121.1°
C22C23N3C2032.3°33.3°
C22C23N3C24148.3°160.4°
C23C22H12H13120.4°120.7°
C22C23H28H29119.6°118.0°
C18C19C20H27180.0°180.0°
C18C19C20N3179.0°177.1°
C19C18C17H11179.8°179.2°
C23N3C20C19173.5°176.7°
C23N3C20C24179.3°127.1°
N3C23C22H12176.8°178.7°
N3C23C22H1362.9°58.0°
C23N3C24H14180.0°69.3°
C23N3C24H1560.0°50.7°
C23N3C24H1660.0°170.8°
N3C23H28H29119.7°118.0°
C19C20N3C245.9°49.6°
C20C19C18H26179.7°178.6°
C20N3C24H140.6°59.9°
C20N3C24H15119.4°180.0°
C20N3C24H16120.6°60.0°
N3C20C19H271.0°2.9°
C20N3C23H2887.8°154.3°
C20N3C23H29152.4°87.8°
N3C24H14H15120.0°120.0°
N3C24H14H16120.0°119.9°
N3C24H15H16120.0°120.0°
C24N3C23H2891.5°78.6°
C24N3C23H2928.2°39.3°
H2C4C5H4176.4°180.0°
H2C4C5H565.3°60.0°
H3C4C5H456.8°60.0°
H3C4C5H5175.1°179.9°
H4C5C6H6173.5°180.0°
H4C5C6H766.6°60.0°
H5C5C6H655.2°60.0°
H5C5C6H7175.1°180.0°
H8C10C9H222.7°0.1°
H9C13C12H231.0°0.2°
H10C15C1H1731.0°32.4°
H10C15C14H2434.3°40.1°
H10C15C14H25152.8°158.7°
H11C17C18H260.3°0.8°
H12C22C23H2856.6°57.7°
H12C22C23H2963.1°60.2°
H13C22C23H28176.9°63.0°
H13C22C23H2957.2°179.1°
H14C24H15H16120.0°120.0°
H17C1C2H1874.3°43.9°
H17C1C2H1944.9°74.7°
H18C2C3H2058.3°176.0°
H18C2C3H2161.2°55.5°
H19C2C3H20177.6°57.5°
H19C2C3H2158.1°63.1°
H26C18C19H270.3°1.4°

225946

PDB entries from 2024-10-09

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