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SX6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3C18doub1.21Å1.23Å
N3C18sing1.35Å1.39Å
C18C17sing1.51Å1.53Å
C22N3sing1.47Å1.48Å
N3C19sing1.47Å1.49Å
C21C22sing1.53Å1.54Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C21O4sing1.43Å1.45Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
O4C20sing1.43Å1.44Å
C20C19sing1.54Å1.53Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C17C16sing1.53Å1.52Å
C17H17sing1.09Å1.10Å
C17H17Asing1.09Å1.10Å
C16C15sing1.51Å1.51Å
C16H16sing1.09Å1.10Å
C16H16Asing1.09Å1.10Å
N2C15sing1.35Å1.38Å
C15O2doub1.21Å1.24Å
N2C14sing1.39Å1.41Å
N2HN2sing0.97Å1.00Å
C14C9doub1.40Å1.42ÅAromatic
C14C13sing1.39Å1.40ÅAromatic
C13C12doub1.38Å1.40ÅAromatic
C13H13sing1.08Å1.08Å
C12C11sing1.39Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C10C11doub1.38Å1.39ÅAromatic
C11BR1sing1.89Å1.89Å
C9C10sing1.40Å1.40ÅAromatic
C10H10sing1.08Å1.08Å
C8C9sing1.48Å1.50Å
O1C8doub1.22Å1.23Å
C8N1sing1.35Å1.39Å
C6N1sing1.47Å1.46Å
N1C7sing1.47Å1.47Å
C6C4sing1.53Å1.52Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
C5C4sing1.53Å1.53Å
C4C3sing1.53Å1.53Å
C4H4sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C5H5Bsing1.09Å1.10Å
C3C2sing1.53Å1.54Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C7C2sing1.54Å1.53Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C2C1sing1.53Å1.53Å
C2H2sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3C18N3121.5°120.1°
O3C18C17123.4°120.0°
N3C18C17115.1°120.0°
C18N3C22127.6°121.0°
C18N3C19122.0°121.0°
C18C17C16115.5°109.5°
C18C17H17107.5°109.5°
C18C17H17A106.1°109.5°
C22N3C19110.2°118.0°
N3C22C21111.7°108.4°
N3C22H22108.8°109.6°
N3C22H22A108.2°109.7°
N3C19C20111.5°108.2°
N3C19H19108.8°109.7°
N3C19H19A108.3°109.7°
C21C22H22108.7°109.7°
C21C22H22A108.2°109.7°
C22C21O4112.0°109.2°
C22C21H21108.6°109.5°
C22C21H21A108.1°109.5°
H22C22H22A111.2°109.6°
O4C21H21108.6°109.5°
O4C21H21A108.1°109.5°
C21O4C20112.8°114.1°
H21C21H21A111.5°109.5°
O4C20C19108.7°109.2°
O4C20H20109.7°109.5°
O4C20H20A109.9°109.5°
C19C20H20109.7°109.7°
C19C20H20A109.9°109.4°
C20C19H19108.8°109.8°
C20C19H19A108.3°109.8°
H20C20H20A108.9°109.5°
H19C19H19A111.1°109.7°
C16C17H17107.5°109.5°
C16C17H17A106.1°109.5°
C17C16C15110.7°109.5°
C17C16H16109.1°109.5°
C17C16H16A108.8°109.4°
H17C17H17A114.4°109.4°
C15C16H16109.1°109.5°
C15C16H16A108.8°109.5°
C16C15N2111.0°120.0°
C16C15O2123.2°120.0°
H16C16H16A110.4°109.5°
N2C15O2125.8°120.0°
C15N2C14122.6°120.0°
C15N2HN2118.7°120.0°
C14N2HN2118.7°120.0°
N2C14C9120.7°120.1°
N2C14C13119.8°120.1°
C9C14C13119.5°119.7°
C14C9C10119.1°119.6°
C14C9C8124.2°120.2°
C14C13C12121.1°120.1°
C14C13H13119.5°120.0°
C12C13H13119.5°119.9°
C13C12C11118.7°120.4°
C13C12H12120.7°119.8°
C11C12H12120.7°119.8°
C12C11C10121.5°120.3°
C12C11BR1119.7°119.9°
C10C11BR1118.8°119.8°
C11C10C9120.2°119.9°
C11C10H10119.9°120.0°
C9C10H10119.9°120.0°
C10C9C8116.7°120.2°
C9C8O1116.0°120.0°
C9C8N1125.2°120.0°
O1C8N1118.8°120.0°
C8N1C6122.4°120.7°
C8N1C7121.4°120.6°
C6N1C7114.3°118.7°
N1C6C4111.8°108.8°
N1C6H6108.7°109.6°
N1C6H6A108.2°109.6°
N1C7C2113.3°108.5°
N1C7H7108.2°109.6°
N1C7H7A107.3°109.6°
C4C6H6108.7°109.6°
C4C6H6A108.2°109.6°
C6C4C5110.5°109.5°
C6C4C3110.2°109.3°
C6C4H4109.8°109.5°
H6C6H6A111.3°109.6°
C5C4C3113.7°109.5°
C5C4H4106.1°109.6°
C4C5H5109.5°109.5°
C4C5H5A109.5°109.4°
C4C5H5B109.5°109.4°
C3C4H4106.3°109.6°
C4C3C2112.1°109.5°
C4C3H3108.6°109.4°
C4C3H3A108.0°109.5°
H5C5H5A109.5°109.5°
H5C5H5B109.5°109.5°
H5AC5H5B109.5°109.4°
C2C3H3108.6°109.5°
C2C3H3A108.0°109.5°
C3C2C7112.1°109.3°
C3C2C1112.6°109.5°
C3C2H2105.8°109.5°
H3C3H3A111.5°109.5°
C2C7H7108.2°109.7°
C2C7H7A107.3°109.7°
C7C2C1110.4°109.4°
C7C2H2108.1°109.7°
H7C7H7A112.5°109.7°
C1C2H2107.6°109.5°
C2C1H1109.5°109.5°
C2C1H1A109.5°109.5°
C2C1H1B109.4°109.5°
H1C1H1A109.5°109.4°
H1C1H1B109.4°109.5°
H1AC1H1B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3C18N3C17180.0°179.8°
O3C18N3C220.1°179.7°
O3C18N3C19174.5°0.1°
O3C18C17C1612.4°0.1°
O3C18C17H17132.4°120.0°
O3C18C17H17A104.8°120.1°
C18N3C22C19175.0°179.8°
C18N3C22C21133.5°129.4°
C18N3C22H2213.5°9.7°
C18N3C22H22A107.5°110.7°
C18N3C19C20128.4°129.4°
C18N3C19H19111.6°110.8°
C18N3C19H19A9.3°9.7°
N3C18C17C16167.5°179.7°
N3C18C17H1747.5°60.2°
N3C18C17H17A75.2°59.7°
C17C18N3C22180.0°0.5°
C17C18N3C195.5°179.7°
C18C17C16H17120.0°120.0°
C18C17C16H17A117.2°120.0°
C18C17H17H17A117.5°120.0°
C18C17C16C1572.0°180.0°
C18C17C16H1648.1°60.0°
C18C17C16H16A168.6°60.0°
N3C22C21H22120.0°119.7°
N3C22C21H22A119.1°119.8°
N3C22H22H22A119.1°120.5°
N3C22C21O451.2°52.3°
N3C22C21H2168.8°67.6°
N3C22C21H21A170.1°172.3°
C22N3C19C2056.3°50.8°
C22N3C19H1963.7°68.9°
C22N3C19H19A175.4°170.5°
C19N3C22C2151.5°50.8°
C19N3C22H22171.5°170.5°
C19N3C22H22A67.5°69.0°
N3C19C20O459.3°52.6°
N3C19C20H19120.0°119.7°
N3C19C20H19A119.1°119.6°
N3C19C20H2060.6°67.4°
N3C19C20H20A179.6°172.4°
N3C19H19H19A119.2°120.5°
C21C22H22H22A119.0°120.6°
C22C21O4H21120.0°119.9°
C22C21O4H21A118.9°119.9°
C22C21H21H21A119.0°120.1°
C22C21O4C2055.7°62.6°
H22C22C21O4171.2°172.0°
H22C22C21H2151.2°52.1°
H22C22C21H21A69.8°68.1°
H22AC22C21O467.8°67.5°
H22AC22C21H21172.2°172.6°
H22AC22C21H21A51.1°52.4°
O4C21H21H21A119.0°120.1°
C21O4C20C1958.8°62.7°
C21O4C20H2061.2°57.4°
C21O4C20H20A179.1°177.5°
H21C21O4C2064.3°57.4°
H21AC21O4C20174.6°177.5°
O4C20C19H20120.0°120.0°
O4C20C19H20A120.3°119.9°
O4C20H20H20A120.3°120.1°
O4C20C19H1960.7°67.2°
O4C20C19H19A178.5°172.2°
C19C20H20H20A120.3°120.1°
C20C19H19H19A119.1°120.7°
H20C20C19H19179.3°172.9°
H20C20C19H19A58.5°52.2°
H20AC20C19H1959.6°52.7°
H20AC20C19H19A61.2°68.0°
C16C17H17H17A117.5°120.0°
C17C16C15H16120.0°120.0°
C17C16C15H16A119.5°120.0°
C17C16H16H16A119.5°120.0°
C17C16C15N2128.6°180.0°
C17C16C15O250.9°0.0°
H17C17C16C15168.0°60.0°
H17C17C16H1671.9°180.0°
H17C17C16H16A48.6°60.0°
H17AC17C16C1545.3°60.0°
H17AC17C16H16165.3°60.0°
H17AC17C16H16A74.2°179.9°
C15C16H16H16A119.5°120.0°
C16C15N2O2179.4°180.0°
C16C15N2C14180.0°174.3°
C16C15N2HN20.0°5.7°
H16C16C15N28.5°60.0°
H16C16C15O2170.9°120.0°
H16AC16C15N2111.9°60.0°
H16AC16C15O268.6°120.0°
C15N2C14HN2180.0°180.0°
C15N2C14C9124.6°154.9°
C15N2C14C1354.1°24.9°
O2C15N2C140.6°5.6°
O2C15N2HN2179.4°174.3°
N2C14C9C13178.7°179.8°
N2C14C13C12178.7°180.0°
N2C14C13H131.3°0.0°
N2C14C9C10179.6°179.7°
N2C14C9C82.8°0.0°
HN2N2C14C955.4°25.1°
HN2N2C14C13125.9°155.2°
C9C14C13C120.0°0.2°
C9C14C13H13180.0°179.8°
C14C9C10C111.0°0.5°
C14C9C10C8177.8°179.8°
C14C9C10H10179.0°179.7°
C14C9C8O1118.2°54.8°
C14C9C8N161.7°125.3°
C14C13C12H13180.0°179.9°
C14C13C12C110.7°0.0°
C14C13C12H12179.3°180.0°
C13C14C9C100.9°0.5°
C13C14C9C8178.5°179.8°
C13C12C11H12180.0°180.0°
C13C12C11C100.6°0.0°
C13C12C11BR1179.8°180.0°
H13C13C12C11179.3°179.9°
H13C13C12H120.7°0.1°
C12C11C10BR1179.2°180.0°
C12C11C10C90.3°0.2°
C12C11C10H10179.7°180.0°
H12C12C11C10179.4°180.0°
H12C12C11BR10.2°0.0°
C11C10C9H10180.0°179.8°
C11C10C9C8178.8°179.8°
BR1C11C10C9178.9°179.7°
BR1C11C10H101.1°0.1°
C10C9C8O159.5°125.5°
C10C9C8N1120.7°54.5°
H10C10C9C81.2°0.0°
C9C8O1N1179.9°180.0°
C9C8N1C6179.7°5.2°
C9C8N1C716.9°174.7°
O1C8N1C60.2°174.9°
O1C8N1C7163.2°5.3°
C8N1C6C7164.5°179.8°
C8N1C6C4108.7°126.3°
C8N1C6H611.3°6.6°
C8N1C6H6A132.3°113.8°
C8N1C7C2113.2°126.3°
C8N1C7H7126.8°113.9°
C8N1C7H7A5.1°6.6°
N1C6C4H6120.0°119.8°
N1C6C4H6A119.0°119.8°
N1C6H6H6A119.0°120.3°
N1C6C4C5177.6°174.6°
N1C6C4C355.9°54.7°
N1C6C4H460.9°65.3°
C6N1C7C251.5°53.8°
C6N1C7H768.5°66.0°
C6N1C7H7A169.8°173.6°
C7N1C6C455.8°53.8°
C7N1C6H6175.8°173.6°
C7N1C6H6A63.2°66.0°
N1C7C2C347.5°54.9°
N1C7C2H7120.0°119.7°
N1C7C2H7A118.3°119.7°
N1C7H7H7A118.4°120.4°
N1C7C2C1173.9°174.7°
N1C7C2H268.7°65.2°
C4C6H6H6A119.1°120.3°
C6C4C5C3124.5°119.8°
C6C4C5H4119.0°120.1°
C6C4C3H4119.0°120.0°
C6C4C5H514.9°59.9°
C6C4C5H5A135.0°180.0°
C6C4C5H5B105.1°60.1°
C6C4C3C253.1°61.4°
C6C4C3H3173.1°178.6°
C6C4C3H3A65.8°58.7°
H6C6C4C557.6°65.6°
H6C6C4C3175.9°174.5°
H6C6C4H459.1°54.5°
H6AC6C4C563.4°54.7°
H6AC6C4C363.1°65.2°
H6AC6C4H4179.9°174.9°
C5C4C3H4116.4°120.2°
C4C5H5H5A120.0°120.0°
C4C5H5H5B120.0°120.0°
C4C5H5AH5B120.0°119.9°
C5C4C3C2177.8°178.7°
C5C4C3H362.2°58.7°
C5C4C3H3A58.9°61.2°
C3C4C5H5109.6°59.8°
C3C4C5H5A10.4°60.2°
C3C4C5H5B130.4°179.8°
C4C3C2H3120.0°119.9°
C4C3C2H3A118.9°120.1°
C4C3H3H3A119.0°120.0°
C4C3C2C749.1°61.5°
C4C3C2C1174.3°178.6°
C4C3C2H268.5°58.6°
H4C4C5H5133.9°180.0°
H4C4C5H5A106.1°59.9°
H4C4C5H5B13.9°60.0°
H4C4C3C265.8°58.5°
H4C4C3H354.1°61.4°
H4C4C3H3A175.2°178.6°
H5C5H5AH5B120.0°120.1°
C2C3H3H3A118.9°120.0°
C3C2C7C1126.4°119.8°
C3C2C7H2116.2°120.0°
C3C2C7H772.5°64.8°
C3C2C7H7A165.8°174.6°
C3C2C1H2116.2°120.1°
C3C2C1H1137.2°60.0°
C3C2C1H1A17.2°180.0°
C3C2C1H1B102.8°60.0°
H3C3C2C7169.1°178.5°
H3C3C2C165.7°58.7°
H3C3C2H251.5°61.4°
H3AC3C2C769.8°58.5°
H3AC3C2C155.4°61.3°
H3AC3C2H2172.6°178.6°
C2C7H7H7A118.4°120.5°
C7C2C1H2117.8°120.2°
C7C2C1H196.7°59.7°
C7C2C1H1A143.3°60.2°
C7C2C1H1B23.3°179.7°
H7C7C2C153.9°55.0°
H7C7C2H2171.3°175.1°
H7AC7C2C167.8°65.6°
H7AC7C2H249.6°54.6°
C2C1H1H1A120.0°120.0°
C2C1H1H1B120.0°120.1°
C2C1H1AH1B120.0°120.1°
H2C2C1H121.1°179.9°
H2C2C1H1A99.0°60.0°
H2C2C1H1B141.0°60.0°
H1C1H1AH1B119.9°120.0°

222415

PDB entries from 2024-07-10

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