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OHW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F2C20sing1.40Å1.32Å
F1C20sing1.40Å1.32Å
C20O2sing1.43Å1.34Å
C20F3sing1.40Å1.31Å
O2C19sing1.36Å1.41Å
C21C19doub1.39Å1.41ÅAromatic
C21C22sing1.37Å1.38ÅAromatic
C19C18sing1.38Å1.38ÅAromatic
C22C23doub1.40Å1.40ÅAromatic
C18C17doub1.39Å1.40ÅAromatic
C23C17sing1.41Å1.41ÅAromatic
C23C4sing1.47Å1.44ÅAromatic
C17N3sing1.38Å1.37ÅAromatic
C2C3sing1.53Å1.53Å
C2C1sing1.53Å1.51Å
C4C3sing1.51Å1.51Å
C4C5doub1.34Å1.37ÅAromatic
N3C5sing1.37Å1.38ÅAromatic
C5C6sing1.51Å1.52Å
C15O1sing1.43Å1.42Å
C15C16sing1.53Å1.51Å
O1C14sing1.43Å1.42Å
C14C13sing1.53Å1.51Å
C7C6sing1.53Å1.53Å
C7C8sing1.53Å1.53Å
C16N2sing1.47Å1.47Å
C6N1sing1.47Å1.48Å
N2C13sing1.47Å1.47Å
N2C12sing1.47Å1.47Å
N1C11sing1.47Å1.47Å
N1C10sing1.47Å1.47Å
C8C9sing1.53Å1.52Å
C11C12sing1.53Å1.54Å
C9C10sing1.53Å1.51Å
C3H1sing1.09Å1.10Å
C3H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
C1H6sing1.09Å1.10Å
C1H7sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C7H11sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C16H13sing1.09Å1.10Å
C18H14sing1.08Å1.08Å
C15H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C10H19sing1.09Å1.10Å
C10H20sing1.09Å1.10Å
C9H21sing1.09Å1.10Å
C9H22sing1.09Å1.10Å
C8H23sing1.09Å1.10Å
C8H24sing1.09Å1.10Å
C13H25sing1.09Å1.10Å
C13H26sing1.09Å1.10Å
C12H27sing1.09Å1.10Å
C12H28sing1.09Å1.10Å
C11H29sing1.09Å1.10Å
C11H30sing1.09Å1.10Å
C21H32sing1.08Å1.08Å
C22H33sing1.08Å1.08Å
N3H34sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F2C20F1106.5°109.4°
F2C20O2111.1°109.5°
F2C20F3107.1°109.5°
F1C20O2112.4°109.5°
F1C20F3105.8°109.5°
O2C20F3113.6°109.5°
C20O2C19119.5°117.0°
O2C19C21121.5°119.7°
O2C19C18118.4°119.7°
C19C21C22121.6°120.5°
C21C19C18120.1°120.5°
C19C21H32119.2°119.8°
C21C22C23119.8°119.8°
C22C21H32119.2°119.7°
C21C22H33120.1°120.1°
C19C18C17118.1°119.8°
C19C18H14120.9°120.1°
C22C23C17118.1°120.0°
C22C23C4135.1°134.0°
C23C22H33120.1°120.1°
C18C17C23122.4°119.4°
C18C17N3130.5°133.5°
C17C18H14121.0°120.1°
C17C23C4106.8°106.0°
C23C17N3107.1°107.2°
C23C4C3127.0°126.5°
C23C4C5107.4°107.0°
C17N3C5110.1°109.8°
C17N3H34124.9°125.1°
C3C2C1112.3°109.5°
C2C3C4117.3°109.5°
C2C3H1107.5°109.4°
C2C3H2107.5°109.5°
C3C2H3108.8°109.5°
C3C2H4108.8°109.4°
C1C2H3108.8°109.5°
C1C2H4108.8°109.5°
C2C1H5109.5°109.5°
C2C1H6109.5°109.5°
C2C1H7109.4°109.4°
C3C4C5125.6°126.5°
C4C3H1107.5°109.5°
C4C3H2107.5°109.5°
C4C5N3108.6°109.9°
C4C5C6134.3°125.0°
N3C5C6117.1°125.0°
C5N3H34125.0°125.1°
C5C6C7112.7°109.4°
C5C6N1109.0°109.5°
C5C6H9108.3°109.5°
O1C15C16111.5°109.3°
C15O1C14109.5°113.7°
O1C15H15109.0°109.5°
O1C15H16109.0°109.5°
C15C16N2111.0°109.2°
C15C16H12109.1°109.5°
C15C16H13109.1°109.6°
C16C15H15109.0°109.5°
C16C15H16109.0°109.5°
O1C14C13111.6°109.2°
O1C14H17108.9°109.5°
O1C14H18108.9°109.5°
C14C13N2110.9°109.3°
C13C14H17108.9°109.5°
C13C14H18108.9°109.5°
C14C13H25109.1°109.5°
C14C13H26109.1°109.5°
C6C7C8111.8°109.3°
C7C6N1110.0°109.5°
C7C6H9108.1°109.4°
C6C7H10108.9°109.5°
C6C7H11108.9°109.5°
C7C8C9111.1°109.2°
C8C7H10108.9°109.5°
C8C7H11108.9°109.5°
C7C8H23109.1°109.5°
C7C8H24109.1°109.5°
C16N2C13109.0°110.7°
C16N2C12110.6°111.0°
N2C16H12109.1°109.5°
N2C16H13109.1°109.6°
C6N1C11114.1°111.0°
C6N1C10117.1°111.2°
N1C6H9108.7°109.5°
C13N2C12110.7°111.0°
N2C13H25109.1°109.5°
N2C13H26109.1°109.5°
N2C12C11117.7°109.5°
N2C12H27107.4°109.5°
N2C12H28107.4°109.5°
C11N1C10110.8°111.0°
N1C11C12110.3°109.5°
N1C11H29109.2°109.5°
N1C11H30109.3°109.4°
N1C10C9111.1°109.5°
N1C10H19109.1°109.5°
N1C10H20109.1°109.4°
C8C9C10109.8°109.2°
C8C9H21109.4°109.5°
C8C9H22109.4°109.5°
C9C8H23109.1°109.6°
C9C8H24109.1°109.5°
C11C12H27107.4°109.5°
C11C12H28107.4°109.4°
C12C11H29109.3°109.5°
C12C11H30109.2°109.5°
C9C10H19109.1°109.4°
C9C10H20109.1°109.5°
C10C9H21109.4°109.5°
C10C9H22109.4°109.5°
H1C3H2109.5°109.5°
H3C2H4109.5°109.4°
H5C1H6109.4°109.5°
H5C1H7109.5°109.5°
H6C1H7109.5°109.5°
H10C7H11109.5°109.5°
H12C16H13109.5°109.5°
H15C15H16109.5°109.5°
H17C14H18109.5°109.6°
H19C10H20109.5°109.4°
H21C9H22109.5°109.6°
H23C8H24109.5°109.6°
H25C13H26109.5°109.5°
H27C12H28109.5°109.5°
H29C11H30109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F2C20F1O2121.8°120.0°
F2C20F1F3113.8°120.0°
F2C20O2F3120.8°120.0°
F2C20O2C1980.5°60.0°
F1C20O2F3120.0°120.1°
F1C20O2C19160.3°180.0°
C20O2C19C2128.3°0.1°
C20O2C19C18152.6°180.0°
F3C20O2C1940.3°60.0°
O2C19C21C18179.1°179.9°
O2C19C21C22180.0°179.1°
O2C19C18C17179.4°180.0°
O2C19C18H140.6°0.1°
O2C19C21H320.0°0.0°
C19C21C22H32180.0°179.1°
C19C21C22C230.1°1.2°
C21C19C18C171.5°0.1°
C21C19C18H14178.5°180.0°
C19C21C22H33179.9°180.0°
C22C21C19C180.9°0.9°
C21C22C23H33180.0°178.8°
C21C22C23C170.6°0.7°
C21C22C23C4179.4°179.2°
C19C18C17H14180.0°179.9°
C19C18C17C231.0°0.4°
C19C18C17N3179.0°180.0°
C18C19C21H32179.1°179.9°
C22C23C17C180.0°0.1°
C22C23C17C4180.0°179.9°
C22C23C17N3180.0°179.8°
C22C23C4C30.3°0.1°
C22C23C4C5180.0°179.9°
C23C22C21H32179.9°179.6°
C18C17C23N3180.0°179.7°
C18C17C23C4180.0°180.0°
C18C17N3C5180.0°179.9°
C18C17N3H340.0°0.3°
C17C23C4C3179.7°180.0°
C17C23C4C50.0°0.0°
C23C17N3C50.0°0.4°
C23C17C18H14179.0°179.5°
C17C23C22H33179.4°179.5°
C23C17N3H34180.0°179.9°
C4C23C17N30.0°0.3°
C23C4C3C234.8°90.0°
C23C4C3C5179.7°180.0°
C23C4C5N30.1°0.3°
C23C4C5C6178.3°180.0°
C23C4C3H1155.9°150.1°
C23C4C3H286.4°30.1°
C4C23C22H330.6°0.4°
C17N3C5C40.1°0.4°
C17N3C5H34180.0°179.7°
C17N3C5C6178.6°179.9°
N3C17C18H141.0°0.1°
C3C2C1H3120.4°120.0°
C3C2C1H4120.4°120.0°
C2C3C4H1121.1°120.0°
C2C3C4H2121.1°120.0°
C2C3C4C5145.5°90.0°
C2C3H1H2116.5°120.0°
C3C2H3H4118.7°119.9°
C3C2C1H5180.0°60.0°
C3C2C1H660.0°60.0°
C3C2C1H760.0°180.0°
C1C2C3C459.3°180.0°
C1C2C3H161.8°60.0°
C1C2C3H2179.5°60.0°
C1C2H3H4118.7°120.0°
C2C1H5H6120.0°120.0°
C2C1H5H7120.0°119.9°
C2C1H6H7120.0°119.9°
C3C4C5N3179.7°179.7°
C3C4C5C62.0°0.0°
C4C3H1H2116.4°120.0°
C4C3C2H361.1°60.0°
C4C3C2H4179.7°60.0°
C4C5N3C6178.7°179.7°
C4C5C6C7100.6°85.0°
C4C5C6N1137.0°155.0°
C5C4C3H124.4°30.0°
C5C4C3H293.3°150.0°
C4C5C6H918.9°35.0°
C4C5N3H34180.0°179.9°
N3C5C6C781.2°95.4°
N3C5C6N141.2°24.7°
N3C5C6H9159.3°144.7°
C5C6C7N1121.8°120.0°
C5C6C7H9119.6°120.0°
C5C6C7C8171.5°179.2°
C5C6N1H9117.9°120.0°
C5C6N1C1154.3°54.1°
C5C6N1C10174.1°178.2°
C5C6C7H1068.2°60.8°
C5C6C7H1151.2°59.3°
C6C5N3H341.4°0.2°
O1C15C16H15120.3°120.0°
O1C15C16H16120.3°119.9°
C15O1C14C1358.7°58.6°
O1C15C16N258.2°56.9°
O1C15C16H12178.4°176.8°
O1C15C16H1362.0°63.1°
O1C15H15H16119.1°120.1°
C15O1C14H17179.0°178.6°
C15O1C14H1861.6°61.3°
C16C15O1C1458.9°58.7°
C15C16N2H12120.2°119.9°
C15C16N2H13120.2°120.0°
C15C16N2C1354.9°58.6°
C15C16N2C12176.9°177.6°
C15C16H12H13119.3°120.1°
C16C15H15H16119.1°120.1°
O1C14C13H17120.3°120.0°
O1C14C13H18120.3°119.9°
O1C14C13N257.6°56.8°
C14O1C15H1561.4°61.3°
C14O1C15H16179.2°178.6°
O1C14H17H18119.0°120.1°
O1C14C13H2562.6°63.1°
O1C14C13H26177.9°176.8°
C14C13N2C1654.6°58.6°
C14C13N2H25120.2°120.0°
C14C13N2H26120.2°119.9°
C14C13N2C12176.5°177.6°
C13C14H17H18119.0°120.1°
C14C13H25H26119.3°120.0°
C6C7C8H10120.3°119.9°
C6C7C8H11120.3°119.9°
C7C6N1H9118.2°120.0°
C7C6N1C11178.3°174.1°
C7C6N1C1050.1°61.7°
C6C7C8C955.6°57.7°
C6C7H10H11118.9°120.1°
C6C7C8H2364.7°62.3°
C6C7C8H24175.8°177.6°
C8C7C6N149.7°59.2°
C7C8C9H23120.3°119.9°
C7C8C9H24120.2°119.8°
C7C8C9C1057.6°57.7°
C8C7C6H968.9°60.8°
C8C7H10H11118.9°120.2°
C7C8C9H21177.6°62.2°
C7C8C9H2262.5°177.6°
C7C8H23H24119.3°120.1°
C16N2C13C12121.9°123.7°
C16N2C12C11147.9°170.0°
N2C16H12H13119.3°120.1°
N2C16C15H1562.2°63.1°
N2C16C15H16178.5°176.8°
C16N2C13H2565.6°61.3°
C16N2C13H26174.8°178.6°
C16N2C12H2726.8°70.0°
C16N2C12H2890.9°50.1°
C6N1C11C10134.6°124.2°
C6N1C11C12143.5°169.8°
C6N1C10C953.7°61.8°
N1C6C7H10170.0°179.1°
N1C6C7H1170.7°60.8°
C6N1C10H19174.0°178.3°
C6N1C10H2066.5°58.3°
C6N1C11H2923.4°49.7°
C6N1C11H3096.3°70.3°
C13N2C12C1191.1°66.4°
C13N2C16H12175.1°178.5°
C13N2C16H1365.3°61.4°
N2C13C14H17178.0°176.8°
N2C13C14H1862.7°63.1°
N2C13H25H26119.3°120.1°
C13N2C12H27147.7°53.6°
C13N2C12H2830.1°173.7°
N2C12C11N1102.9°180.0°
N2C12C11H27121.2°120.0°
N2C12C11H28121.2°120.0°
C12N2C16H1262.9°57.7°
C12N2C16H1356.6°62.4°
C12N2C13H2556.3°62.4°
C12N2C13H2663.3°57.7°
N2C12H27H28116.3°120.1°
N2C12C11H2917.2°60.0°
N2C12C11H30136.9°60.0°
N1C11C12H29120.1°120.0°
N1C11C12H30120.1°120.0°
C11N1C10C9173.2°174.1°
C11N1C6H963.5°65.9°
C11N1C10H1953.0°54.1°
C11N1C10H2066.5°65.8°
N1C11C12H2718.2°60.0°
N1C11C12H28135.9°60.0°
N1C11H29H30119.6°119.9°
N1C10C9C855.2°59.2°
C10N1C11C1281.9°66.0°
N1C10C9H19120.2°120.0°
N1C10C9H20120.2°120.0°
C10N1C6H968.0°58.3°
N1C10H19H20119.3°120.0°
N1C10C9H21175.3°60.7°
N1C10C9H2264.8°179.1°
C10N1C11H29158.0°173.9°
C10N1C11H3038.2°54.0°
C8C9C10H21120.1°119.9°
C8C9C10H22120.0°119.9°
C9C8C7H10175.9°177.6°
C9C8C7H1164.7°62.3°
C8C9C10H19175.5°179.2°
C8C9C10H2065.0°60.8°
C8C9H21H22119.8°120.1°
C9C8H23H24119.3°120.2°
C11C12H27H28116.3°119.9°
C12C11H29H30119.6°120.0°
C9C10H19H20119.3°120.0°
C10C9H21H22119.9°120.1°
C10C9C8H2362.7°62.2°
C10C9C8H24177.8°177.5°
H1C3C2H3177.8°60.0°
H1C3C2H458.6°180.0°
H2C3C2H360.0°180.0°
H2C3C2H459.1°60.0°
H3C2C1H559.6°180.0°
H3C2C1H6179.5°60.0°
H3C2C1H760.4°60.0°
H4C2C1H559.6°60.0°
H4C2C1H660.4°180.0°
H4C2C1H7179.6°60.0°
H5C1H6H7120.0°120.1°
H9C6C7H1051.5°59.1°
H9C6C7H11170.8°179.2°
H10C7C8H2355.7°57.6°
H10C7C8H2463.9°62.5°
H11C7C8H23175.0°177.8°
H11C7C8H2455.5°57.6°
H12C16C15H1558.1°56.8°
H12C16C15H1661.3°63.3°
H13C16C15H15177.6°176.9°
H13C16C15H1658.3°56.8°
H17C14C13H2557.8°56.8°
H17C14C13H2661.8°63.2°
H18C14C13H25177.1°177.0°
H18C14C13H2657.6°56.9°
H19C10C9H2164.4°59.3°
H19C10C9H2255.4°60.9°
H20C10C9H2155.1°179.3°
H20C10C9H22175.0°59.1°
H21C9C8H2357.4°177.9°
H21C9C8H2462.2°57.6°
H22C9C8H23177.3°57.7°
H22C9C8H2457.7°62.6°
H27C12C11H29138.4°180.0°
H27C12C11H30101.9°60.0°
H28C12C11H29104.0°60.0°
H28C12C11H3015.8°180.0°
H32C21C22H330.2°0.8°

218500

PDB entries from 2024-04-17

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