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HI3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.38Å1.40ÅAromatic
C1C11sing1.38Å1.39ÅAromatic
C1H1sing1.08Å1.08Å
N1C10sing1.38Å1.37ÅAromatic
O1C19doub1.22Å1.25Å
S1N3sing1.66Å1.68Å
C2C12sing1.38Å1.41ÅAromatic
C2H2sing1.08Å1.08Å
F2C12sing1.35Å1.33Å
N2C17sing1.36Å1.38Å
O2C20doub1.22Å1.23Å
C3C8doub1.37Å1.40ÅAromatic
C3H3sing1.08Å1.08Å
N3C20sing1.35Å1.38Å
N3HN3sing0.97Å1.00Å
O3S1doub1.42Å1.45Å
C4H4sing1.08Å1.08Å
O4S1doub1.42Å1.43Å
C5C13doub1.38Å1.40ÅAromatic
C5H5sing1.08Å1.08Å
C6C3sing1.40Å1.42ÅAromatic
C7C6sing1.47Å1.41ÅAromatic
C7C18sing1.48Å1.45Å
C8C24sing1.51Å1.51Å
C9C4sing1.38Å1.42ÅAromatic
C9C25sing1.51Å1.51Å
C10C5sing1.39Å1.39ÅAromatic
C10C6doub1.41Å1.40ÅAromatic
C11F1sing1.35Å1.34Å
C11C4doub1.38Å1.40ÅAromatic
C12C9doub1.38Å1.40ÅAromatic
C13F3sing1.35Å1.33Å
C13C8sing1.39Å1.40ÅAromatic
C14N1sing1.38Å1.38ÅAromatic
C14C7doub1.39Å1.40ÅAromatic
C15H15sing1.08Å1.08Å
C16C15sing1.40Å1.45Å
C16H16sing1.08Å1.08Å
C17C15doub1.36Å1.35Å
C17H17sing1.08Å1.08Å
C18C16doub1.39Å1.37Å
C19N2sing1.35Å1.38Å
C19C18sing1.42Å1.52Å
C20C14sing1.46Å1.44Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22C21sing1.53Å1.51Å
C22C23sing1.53Å1.50Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23S1sing1.81Å1.81Å
C23C21sing1.53Å1.49Å
C23H23sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C24H24Bsing1.09Å1.10Å
C25N1sing1.46Å1.47Å
C25H25sing1.09Å1.10Å
C25H25Asing1.09Å1.10Å
N2H20sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C11119.4°120.0°
C2C1H1120.3°120.1°
C1C2C12119.8°120.1°
C1C2H2120.1°119.9°
C11C1H1120.3°119.9°
C1C11F1121.0°120.0°
C1C11C4121.0°120.0°
N1C10C5130.1°132.7°
N1C10C6107.6°108.1°
C10N1C14110.1°110.1°
C10N1C25122.3°125.0°
O1C19N2121.8°120.1°
O1C19C18121.3°120.1°
S1N3C20121.9°120.1°
S1N3HN3119.0°120.0°
N3S1O3106.4°104.3°
N3S1O4111.7°104.3°
N3S1C23105.3°104.4°
C12C2H2120.1°120.0°
C2C12F2120.1°120.0°
C2C12C9121.6°120.0°
F2C12C9118.3°120.0°
N2C17C15120.5°121.2°
N2C17H17119.8°119.4°
C17N2C19123.4°121.0°
C17N2H20118.3°119.5°
O2C20N3121.8°119.9°
O2C20C14123.7°120.1°
C8C3H3120.5°120.1°
C8C3C6119.0°119.8°
C3C8C24120.7°119.7°
C3C8C13118.9°120.5°
H3C3C6120.5°120.1°
C20N3HN3119.0°119.9°
N3C20C14114.5°120.0°
O3S1O4119.4°121.1°
O3S1C23102.5°110.5°
H4C4C9119.7°120.0°
H4C4C11119.7°119.9°
O4S1C23110.3°110.6°
C13C5H5121.6°120.1°
C13C5C10116.8°119.8°
C5C13F3116.7°119.7°
C5C13C8123.3°120.6°
H5C5C10121.6°120.1°
C3C6C7133.2°133.4°
C3C6C10119.6°120.0°
C6C7C18125.4°126.8°
C7C6C10107.2°106.5°
C6C7C14107.8°106.4°
C18C7C14126.8°126.8°
C7C18C16123.5°120.6°
C7C18C19119.0°120.6°
C24C8C13120.4°119.8°
C8C24H24109.5°109.5°
C8C24H24A109.5°109.5°
C8C24H24B109.5°109.5°
C4C9C25123.2°120.0°
C9C4C11120.6°120.1°
C4C9C12117.6°120.0°
C25C9C12119.2°120.0°
C9C25N1109.0°109.5°
C9C25H25109.6°109.5°
C9C25H25A109.6°109.5°
C5C10C6122.3°119.2°
F1C11C4118.0°120.0°
F3C13C8119.9°119.7°
N1C14C7107.2°108.9°
N1C14C20126.9°125.6°
C14N1C25127.1°125.0°
C7C14C20125.9°125.5°
H15C15C16119.9°119.9°
H15C15C17119.9°119.9°
C15C16H16119.2°120.5°
C16C15C17120.1°120.2°
C15C16C18121.6°119.0°
H16C16C18119.2°120.5°
C15C17H17119.7°119.4°
C16C18C19117.4°118.9°
N2C19C18116.9°119.8°
C19N2H20118.3°119.5°
H21C21H21A81.7°115.5°
H21C21C22131.0°117.5°
H21C21C23130.9°117.5°
H21AC21C22131.0°117.5°
H21AC21C23130.9°117.5°
C21C22C2359.5°60.0°
C21C22H22131.2°117.5°
C21C22H22A131.2°117.5°
C22C21C2359.9°60.1°
C23C22H22131.1°117.5°
C23C22H22A131.2°117.5°
C22C23S1113.6°117.5°
C22C23C2160.6°60.0°
C22C23H23135.0°117.5°
H22C22H22A81.4°115.6°
S1C23C21113.5°117.5°
S1C23H2397.5°115.5°
C21C23H23135.1°117.6°
H24C24H24A109.4°109.5°
H24C24H24B109.4°109.4°
H24AC24H24B109.5°109.5°
N1C25H25109.6°109.5°
N1C25H25A109.6°109.4°
H25C25H25A109.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C11H1180.0°179.7°
C1C2C12H2180.0°179.9°
C1C2C12F2179.1°180.0°
C2C1C11F1179.1°180.0°
C2C1C11C40.4°0.1°
C1C2C12C90.4°0.1°
C11C1C2C120.2°0.1°
C11C1C2H2179.8°180.0°
C1C11C4H4180.0°180.0°
C1C11C4C90.0°0.1°
C1C11F1C4179.5°180.0°
H1C1C2C12179.8°179.7°
H1C1C2H20.3°0.3°
H1C1C11F11.0°0.3°
H1C1C11C4179.6°179.7°
N1C10C5C13177.2°180.0°
N1C10C5H52.8°0.1°
N1C10C6C3177.4°180.0°
N1C10C6C71.9°0.0°
C10N1C25C999.1°93.8°
N1C10C5C6178.2°179.9°
C10N1C14C25173.0°179.7°
C10N1C14C71.7°0.0°
C10N1C14C20175.4°180.0°
C10N1C25H25140.9°146.2°
C10N1C25H25A20.9°26.2°
O1C19N2C17179.6°180.0°
O1C19C18C72.2°0.3°
O1C19C18C16179.7°179.5°
O1C19N2C18179.0°179.9°
O1C19N2H200.3°0.3°
S1N3C20O216.0°4.9°
S1N3C20HN3180.0°180.0°
N3S1O3O4127.5°116.7°
N3S1O3C23110.3°111.7°
N3S1O4C23116.7°111.7°
S1N3C20C14163.9°175.2°
N3S1C23C22160.3°175.0°
N3S1C23C2193.5°106.4°
N3S1C23H2353.1°39.4°
C2C12F2C9179.5°179.9°
C2C12C9C40.8°0.1°
C2C12C9C25179.7°180.0°
H2C2C12F20.9°0.1°
H2C2C12C9179.6°180.0°
F2C12C9C4178.7°180.0°
F2C12C9C250.2°0.0°
N2C17C15H15179.4°180.0°
N2C17C15C160.6°0.0°
N2C17C15H17180.0°180.0°
C17N2C19H20180.0°179.7°
C17N2C19C180.6°0.0°
O2C20N3C14179.9°179.9°
O2C20N3HN3163.9°175.1°
O2C20C14N1137.9°95.7°
O2C20C14C738.7°84.3°
C8C3H3C6180.0°179.9°
C3C8C13C52.2°0.1°
C8C3C6C7178.7°180.0°
C3C8C24C13178.8°180.0°
C8C3C6C100.4°0.1°
C3C8C13F3179.9°180.0°
C3C8C24H2489.4°90.0°
C3C8C24H24A150.6°150.0°
C3C8C24H24B30.6°30.0°
H3C3C6C71.3°0.1°
H3C3C8C240.9°0.0°
H3C3C6C10179.6°180.0°
H3C3C8C13177.9°180.0°
C20N3S1O3176.2°179.0°
C20N3S1O444.3°51.1°
N3C20C14N142.1°84.3°
N3C20C14C7141.3°95.8°
C20N3S1C2375.5°65.0°
HN3N3S1O33.8°1.1°
HN3N3S1O4135.7°128.9°
HN3N3C20C1416.1°4.8°
HN3N3S1C23104.6°115.0°
O3S1O4C23118.3°131.5°
O3S1C23C2288.6°73.4°
O3S1C23C21155.4°142.0°
O3S1C23H2358.0°72.3°
H4C4C9C11180.0°180.0°
H4C4C9C250.6°0.0°
H4C4C11F10.5°0.0°
H4C4C9C12179.4°180.0°
O4S1C23C2239.6°63.4°
O4S1C23C2127.2°5.2°
O4S1C23H23173.8°151.0°
C13C5H5C10180.0°179.9°
C5C13C8C24178.9°180.0°
C13C5C10C61.1°0.1°
C5C13F3C8177.8°179.9°
H5C5C10C6179.0°180.0°
H5C5C13F31.6°0.1°
H5C5C13C8179.3°180.0°
C3C6C7C10179.2°179.9°
C3C6C7C182.0°0.1°
C6C3C8C24179.1°179.9°
C3C6C10C51.2°0.1°
C6C3C8C132.1°0.1°
C3C6C7C14176.3°179.9°
C6C7C18C14178.0°180.0°
C7C6C10C5179.5°179.9°
C6C7C14N12.8°0.0°
C6C7C18C1646.7°90.0°
C6C7C18C19130.5°90.8°
C6C7C14C20174.3°180.0°
C18C7C6C10178.8°180.0°
C18C7C14N1178.9°180.0°
C7C18C16C15178.4°180.0°
C7C18C16H161.6°0.5°
C7C18C16C19177.3°179.2°
C7C18C19N2178.7°179.8°
C18C7C14C203.9°0.0°
C24C8C13F31.3°0.0°
C8C24H24H24A120.0°120.0°
C8C24H24H24B120.0°120.0°
C8C24H24AH24B120.0°120.0°
C4C9C25C12178.8°180.0°
C9C4C11F1179.5°180.0°
C4C9C25N113.5°94.3°
C4C9C25H25133.5°25.7°
C4C9C25H25A106.5°145.7°
C25C9C4C11179.4°180.0°
C9C25N1C1473.1°86.5°
C9C25N1H25120.0°120.0°
C9C25N1H25A120.0°120.0°
C9C25H25H25A120.2°120.0°
C10C5C13F3178.4°180.0°
C10C5C13C80.7°0.1°
C5C10N1C14178.6°179.9°
C5C10N1C255.2°0.2°
C6C10N1C140.1°0.0°
C10C6C7C142.9°0.0°
C6C10N1C25173.2°179.7°
C11C4C9C120.6°0.1°
C12C9C25N1165.3°85.7°
C12C9C25H2545.3°154.3°
C12C9C25H25A74.7°34.3°
C13C8C24H2489.4°90.0°
C13C8C24H24A30.6°30.0°
C13C8C24H24B150.6°150.0°
N1C14C7C20177.2°180.0°
C14N1C25H2546.9°33.5°
C14N1C25H25A166.9°153.5°
C14C7C18C16131.2°90.0°
C14C7C18C1951.5°89.2°
C7C14N1C25174.7°179.7°
H15C15C16C17180.0°180.0°
H15C15C16H160.2°0.0°
H15C15C17H170.6°0.0°
H15C15C16C18179.8°179.5°
C15C16H16C18180.0°179.5°
C16C15C17H17179.4°180.0°
C15C16C18C191.1°0.8°
H16C16C15C17179.8°180.0°
H16C16C18C19178.9°179.7°
C17C15C16C180.2°0.5°
C15C17N2C190.3°0.2°
C15C17N2H20179.7°179.9°
H17C17N2C19179.7°179.7°
H17C17N2H200.3°0.0°
C16C18C19N21.3°0.5°
C18C19N2H20179.4°179.7°
C20C14N1C252.5°0.3°
H21C21H21AC22138.6°145.6°
H21C21H21AC23138.6°145.7°
H21C21C22C23120.0°107.5°
H21C21C22H22120.0°145.0°
H21C21C22H22A0.0°0.1°
H21C21C23S1135.2°145.0°
H21C21C23H235.7°0.0°
H21AC21C22C23120.0°107.5°
H21AC21C22H220.0°0.1°
H21AC21C22H22A120.0°145.0°
H21AC21C23S115.2°0.0°
H21AC21C23H23114.3°145.0°
C21C22C23H22120.0°107.5°
C21C22C23H22A120.0°107.5°
C21C22H22H22A138.7°145.8°
C21C22C23S1104.7°107.5°
C21C22C23H23125.8°107.5°
C23C22H22H22A138.7°145.7°
C22C23S1H23146.6°145.7°
H22C22C23S115.4°0.0°
H22C22C23H23114.2°145.0°
H22AC22C23S1135.3°145.0°
H22AC22C23H235.8°0.0°
S1C23C21H23129.5°145.0°
H24C24H24AH24B120.0°120.0°
N1C25H25H25A120.2°120.0°

226262

PDB entries from 2024-10-16

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