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HQC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O33C20doub1.21Å1.22Å
C20C17sing1.51Å1.51Å
C20H20sing1.08Å1.10Å
C17C9sing1.53Å1.53Å
C17N1sing1.46Å1.46Å
C17H17sing1.09Å1.12Å
C9C11sing1.51Å1.52Å
C9H91sing1.09Å1.12Å
C9H92sing1.09Å1.12Å
C11O32doub1.21Å1.25Å
C11O29sing1.34Å1.25Å
O29H29sing0.97Å0.95Å
N1C19sing1.35Å1.34Å
N1HN1sing0.97Å1.02Å
C19O30doub1.21Å1.22Å
C19C10sing1.51Å1.51Å
C10C14sing1.51Å1.51Å
C10C12sing1.53Å1.53Å
C10H10sing1.09Å1.12Å
C14S35sing1.79Å1.71ÅAromatic
C14C5doub1.36Å1.40ÅAromatic
S35C7sing1.78Å1.69ÅAromatic
C7C15doub1.36Å1.34ÅAromatic
C7H7sing1.08Å1.10Å
C15C5sing1.38Å1.42ÅAromatic
C15H15sing1.08Å1.10Å
C5H5sing1.08Å1.10Å
C12C13sing1.53Å1.52Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.11Å
C13C6sing1.53Å1.52Å
C13H131sing1.09Å1.11Å
C13H132sing1.09Å1.11Å
C6C16sing1.53Å1.53Å
C6H61sing1.09Å1.12Å
C6H62sing1.09Å1.12Å
C16N3sing1.46Å1.45Å
C16H161sing1.09Å1.11Å
C16H162sing1.09Å1.11Å
N3C8sing1.35Å1.33Å
N3HN3sing0.97Å1.02Å
C8O31doub1.21Å1.22Å
C8C18sing1.48Å1.50Å
C18N2doub1.32Å1.35ÅAromatic
C18C24sing1.40Å1.39ÅAromatic
N2C21sing1.33Å1.35ÅAromatic
C24C23doub1.36Å1.39ÅAromatic
C24H24sing1.08Å1.10Å
C23C22sing1.41Å1.39ÅAromatic
C23H23sing1.08Å1.10Å
C22C4sing1.40Å1.39ÅAromatic
C22C21doub1.42Å1.39ÅAromatic
C4C27doub1.36Å1.40ÅAromatic
C4H4sing1.08Å1.10Å
C21C25sing1.41Å1.39ÅAromatic
C25O28sing1.36Å1.33Å
C25C26doub1.37Å1.40ÅAromatic
O28H28sing0.97Å0.95Å
C26C27sing1.39Å1.39ÅAromatic
C26H26sing1.08Å1.10Å
C27H27sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O33C20C17119.3°120.0°
O33C20H20110.1°120.0°
C17C20H20130.6°120.0°
C20C17C9109.8°109.5°
C20C17N1111.9°109.4°
C20C17H17108.2°109.5°
C9C17N1111.3°109.5°
C9C17H17108.9°109.5°
C17C9C11111.9°109.4°
C17C9H91111.3°109.5°
C17C9H92111.3°109.5°
N1C17H17106.6°109.5°
C17N1C19122.2°120.0°
C17N1HN1123.2°120.1°
C11C9H91111.3°109.5°
C11C9H92111.3°109.5°
C9C11O32119.7°120.0°
C9C11O29118.4°120.0°
H91C9H9299.0°109.5°
O32C11O29121.9°120.0°
C11O29H29118.4°120.0°
C19N1HN1114.5°119.9°
N1C19O30123.0°120.0°
N1C19C10116.6°120.0°
O30C19C10120.5°120.0°
C19C10C14113.9°109.5°
C19C10C12109.8°109.5°
C19C10H10105.9°109.4°
C14C10C12108.6°109.5°
C14C10H10107.1°109.5°
C10C14S35125.3°129.0°
C10C14C5122.8°129.1°
C12C10H10111.4°109.4°
C10C12C13111.0°109.5°
C10C12H121111.7°109.5°
C10C12H122111.6°109.5°
S35C14C5111.9°101.9°
C14S35C791.5°98.1°
C14C5C15110.1°119.0°
C14C5H5124.3°120.5°
S35C7C15112.9°102.0°
S35C7H7133.4°129.0°
C15C7H7113.7°129.0°
C7C15C5113.5°119.0°
C7C15H15120.8°120.5°
C5C15H15125.7°120.5°
C15C5H5125.6°120.5°
C13C12H121111.6°109.5°
C13C12H122111.6°109.5°
C12C13C6110.9°109.4°
C12C13H131111.7°109.5°
C12C13H132111.7°109.5°
H121C12H12298.8°109.4°
C6C13H131111.6°109.5°
C6C13H132111.7°109.5°
C13C6C16112.2°109.4°
C13C6H61111.2°109.5°
C13C6H62111.2°109.5°
H131C13H13298.7°109.5°
C16C6H61111.2°109.5°
C16C6H62111.2°109.5°
C6C16N3112.8°109.5°
C6C16H161111.0°109.5°
C6C16H162111.0°109.5°
H61C6H6299.1°109.5°
N3C16H161111.0°109.5°
N3C16H162111.0°109.5°
C16N3C8122.6°120.0°
C16N3HN3123.3°120.0°
H161C16H16299.4°109.4°
C8N3HN3114.1°120.0°
N3C8O31122.3°120.0°
N3C8C18118.5°120.0°
O31C8C18119.1°120.0°
C8C18N2119.9°119.2°
C8C18C24119.7°119.2°
N2C18C24120.5°121.5°
C18N2C21121.7°121.3°
C18C24C23119.2°119.8°
C18C24H24120.5°120.1°
N2C21C22119.9°120.0°
N2C21C25120.3°121.0°
C23C24H24120.3°120.1°
C24C23C22119.1°118.2°
C24C23H23120.4°120.9°
C22C23H23120.5°120.9°
C23C22C4120.0°121.2°
C23C22C21119.7°119.1°
C4C22C21120.3°119.6°
C22C4C27119.9°119.8°
C22C4H4120.0°120.1°
C22C21C25119.8°119.0°
C27C4H4120.2°120.1°
C4C27C26119.9°121.0°
C4C27H27120.1°119.5°
C21C25O28120.5°120.2°
C21C25C26120.1°119.6°
O28C25C26119.3°120.2°
C25O28H28120.6°106.8°
C25C26C27120.1°121.0°
C25C26H26120.0°119.5°
C27C26H26119.9°119.5°
C26C27H27120.0°119.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O33C20C17H20180.0°180.0°
O33C20C17C984.2°120.0°
O33C20C17N1151.6°0.0°
O33C20C17H1734.5°120.0°
C20C17C9N1124.5°119.9°
C20C17C9H17118.3°120.0°
C20C17N1H17118.1°120.0°
C20C17C9C11136.8°175.0°
C20C17C9H9111.5°55.1°
C20C17C9H9297.9°65.0°
C20C17N1C1983.3°85.0°
C20C17N1HN196.7°95.0°
H20C20C17C995.7°60.0°
H20C20C17N128.4°180.0°
H20C20C17H17145.5°60.0°
C9C17N1H17118.6°120.0°
C17C9C11H91125.3°120.0°
C17C9C11H92125.3°120.0°
C17C9H91H92117.2°120.0°
C17C9C11O3217.4°0.0°
C17C9C11O29162.6°180.0°
C9C17N1C19153.4°155.0°
C9C17N1HN126.6°24.9°
N1C17C9C1198.7°65.0°
N1C17C9H91136.0°175.0°
N1C17C9H9226.6°55.0°
C17N1C19HN1180.0°179.9°
C17N1C19O307.0°0.0°
C17N1C19C10173.4°180.0°
H17C17C9C1118.5°55.0°
H17C17C9H91106.8°65.0°
H17C17C9H92143.8°175.0°
H17C17N1C1934.8°35.0°
H17C17N1HN1145.2°145.0°
C11C9H91H92117.2°120.0°
C9C11O32O29180.0°180.0°
C9C11O29H29180.0°180.0°
H91C9C11O32107.9°120.0°
H91C9C11O2972.1°60.1°
H92C9C11O32142.7°120.0°
H92C9C11O2937.4°60.0°
O32C11O29H290.0°0.1°
N1C19O30C10179.6°180.0°
N1C19C10C14105.1°60.0°
N1C19C10C12132.8°180.0°
N1C19C10H1012.4°60.0°
HN1N1C19O30173.0°180.0°
HN1N1C19C106.6°0.1°
O30C19C10C1475.3°120.0°
O30C19C10C1246.8°0.0°
O30C19C10H10167.2°120.0°
C19C10C14C12122.7°120.0°
C19C10C14H10116.8°120.0°
C19C10C12H10117.0°120.0°
C19C10C14S3522.9°60.0°
C19C10C14C5157.2°119.7°
C19C10C12C1395.2°175.0°
C19C10C12H121139.5°55.0°
C19C10C12H12230.0°65.0°
C14C10C12H10117.8°120.0°
C10C14S35C5179.9°179.8°
C10C14S35C7179.8°180.0°
C10C14C5C15178.9°179.8°
C10C14C5H51.1°0.2°
C14C10C12C13139.6°65.0°
C14C10C12H12114.3°175.0°
C14C10C12H12295.2°55.0°
C12C10C14S3599.8°60.0°
C12C10C14C580.1°120.2°
C10C12C13H121125.3°120.0°
C10C12C13H122125.2°120.0°
C10C12H121H122117.6°120.0°
C10C12C13C6146.1°180.0°
C10C12C13H13120.8°60.0°
C10C12C13H13288.7°60.1°
H10C10C14S35139.7°180.0°
H10C10C14C540.4°0.2°
H10C10C12C1321.8°55.0°
H10C10C12H121103.5°65.0°
H10C10C12H122147.0°175.0°
C14S35C7C150.7°0.0°
C14S35C7H7179.4°180.0°
S35C14C5C151.3°0.4°
S35C14C5H5178.8°180.0°
C5C14S35C70.4°0.2°
C14C5C15C71.8°0.5°
C14C5C15H5180.0°179.6°
C14C5C15H15178.2°179.8°
S35C7C15H7180.0°180.0°
S35C7C15C51.5°0.2°
S35C7C15H15178.5°180.0°
C7C15C5H15180.0°179.8°
C7C15C5H5178.2°179.9°
H7C7C15C5178.5°179.8°
H7C7C15H151.5°0.0°
H15C15C5H51.7°0.2°
C13C12H121H122117.5°120.0°
C12C13C6H131125.3°120.0°
C12C13C6H132125.3°119.9°
C12C13H131H132117.6°120.0°
C12C13C6C1684.5°180.0°
C12C13C6H6140.8°60.0°
C12C13C6H62150.2°60.0°
H121C12C13C688.6°60.0°
H121C12C13H131146.1°180.0°
H121C12C13H13236.6°60.0°
H122C12C13C620.8°60.0°
H122C12C13H131104.4°60.0°
H122C12C13H132146.1°179.9°
C6C13H131H132117.6°120.0°
C13C6C16H61125.3°120.0°
C13C6C16H62125.3°119.9°
C13C6H61H62117.1°120.0°
C13C6C16N357.7°180.0°
C13C6C16H16167.6°60.0°
C13C6C16H162177.0°60.0°
H131C13C6C16150.3°60.0°
H131C13C6H6184.5°180.0°
H131C13C6H6225.0°60.0°
H132C13C6C1640.8°60.1°
H132C13C6H61166.1°59.9°
H132C13C6H6284.5°180.0°
C16C6H61H62117.1°120.0°
C6C16N3H161125.3°120.0°
C6C16N3H162125.3°120.0°
C6C16H161H162116.9°120.0°
C6C16N3C8119.6°180.0°
C6C16N3HN360.4°0.1°
H61C6C16N3177.0°60.0°
H61C6C16H16157.7°180.0°
H61C6C16H16251.8°60.0°
H62C6C16N367.6°60.0°
H62C6C16H161167.2°60.0°
H62C6C16H16257.7°180.0°
N3C16H161H162116.9°120.0°
C16N3C8HN3180.0°179.9°
C16N3C8O3113.7°0.1°
C16N3C8C18166.2°179.9°
H161C16N3C8115.2°60.0°
H161C16N3HN364.8°120.0°
H162C16N3C85.7°59.9°
H162C16N3HN3174.3°120.0°
N3C8O31C18179.8°180.0°
N3C8C18N255.4°0.2°
N3C8C18C24124.5°180.0°
HN3N3C8O31166.3°180.0°
HN3N3C8C1813.8°0.0°
O31C8C18N2124.4°179.8°
O31C8C18C2455.6°0.0°
C8C18N2C24179.9°179.8°
C8C18N2C21179.6°179.7°
C8C18C24C23179.9°180.0°
C8C18C24H240.1°0.1°
N2C18C24C230.2°0.3°
N2C18C24H24179.8°179.9°
C18N2C21C220.3°0.5°
C18N2C21C25179.4°179.7°
C24C18N2C210.4°0.5°
C18C24C23H24180.0°179.9°
C18C24C23C220.1°0.1°
C18C24C23H23179.9°180.0°
N2C21C22C230.0°0.3°
N2C21C22C4179.8°179.8°
N2C21C22C25179.7°179.8°
N2C21C25O280.3°0.2°
N2C21C25C26179.9°179.7°
C24C23C22H23180.0°179.9°
C24C23C22C4179.6°180.0°
C24C23C22C210.2°0.1°
H24C24C23C22179.8°179.9°
H24C24C23H230.1°0.1°
C23C22C4C21179.8°179.9°
C23C22C4C27179.8°180.0°
C23C22C4H40.2°0.0°
C23C22C21C25179.7°179.9°
H23C23C22C40.4°0.0°
H23C23C22C21179.8°180.0°
C22C4C27H4180.0°180.0°
C4C22C21C250.1°0.0°
C22C4C27C260.0°0.0°
C22C4C27H27180.0°179.9°
C21C22C4C270.0°0.0°
C21C22C4H4180.0°180.0°
C22C21C25O28180.0°180.0°
C22C21C25C260.2°0.0°
C4C27C26C250.1°0.0°
C4C27C26H27180.0°179.9°
C4C27C26H26179.9°180.0°
H4C4C27C26180.0°180.0°
H4C4C27H270.0°0.1°
C21C25O28C26179.8°180.0°
C21C25O28H28180.0°90.0°
C21C25C26C270.2°0.0°
C21C25C26H26179.8°180.0°
O28C25C26C27180.0°180.0°
O28C25C26H260.0°0.0°
C26C25O28H280.2°90.0°
C25C26C27H26180.0°179.9°
C25C26C27H27179.9°179.9°
H26C26C27H270.1°0.1°

227344

PDB entries from 2024-11-13

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