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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C15C14sing1.53Å1.53Å
C20C21sing1.53Å1.51Å
C20C19sing1.53Å1.51Å
C21C22sing1.53Å1.51Å
C14C12sing1.53Å1.55Å
C14S16sing1.81Å1.82Å
C19C18sing1.53Å1.52Å
C22C23sing1.53Å1.51Å
C23C24sing1.53Å1.51Å
C17C18sing1.53Å1.52Å
C17S16sing1.81Å1.81Å
C12C11sing1.51Å1.52Å
C12C13sing1.53Å1.52Å
C24C25sing1.53Å1.51Å
C11O29doub1.21Å1.23Å
C25C26sing1.53Å1.52Å
C26C27sing1.53Å1.51Å
C27C28sing1.53Å1.51Å
C12H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C13H5sing1.09Å1.10Å
C21H6sing1.09Å1.10Å
C21H7sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C17H10sing1.09Å1.10Å
C18H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C19H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C23H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H25sing1.09Å1.10Å
C25H26sing1.09Å1.10Å
C25H27sing1.09Å1.10Å
C26H28sing1.09Å1.10Å
C26H29sing1.09Å1.10Å
C27H30sing1.09Å1.10Å
C27H31sing1.09Å1.10Å
C28H32sing1.09Å1.10Å
C28H33sing1.09Å1.10Å
C28H34sing1.09Å1.10Å
C11O1sing1.34Å1.33Å
O1H1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C14C12115.5°109.4°
C15C14S16110.3°109.4°
C15C14H8108.7°109.5°
C14C15H17109.5°109.5°
C14C15H18109.5°109.5°
C14C15H19109.5°109.5°
C21C20C19114.1°109.4°
C20C21C22112.4°109.5°
C20C21H6108.7°109.5°
C20C21H7108.7°109.5°
C21C20H15108.3°109.5°
C21C20H16108.3°109.5°
C20C19C18112.7°109.4°
C20C19H13108.7°109.5°
C20C19H14108.7°109.4°
C19C20H15108.3°109.4°
C19C20H16108.3°109.5°
C21C22C23114.0°109.5°
C22C21H6108.7°109.5°
C22C21H7108.7°109.5°
C21C22H20108.3°109.4°
C21C22H21108.3°109.5°
C12C14S16107.7°109.5°
C14C12C11109.2°109.5°
C14C12C13112.8°109.5°
C14C12H2108.2°109.4°
C12C14H8108.4°109.5°
C14S16C17102.5°103.0°
S16C14H8105.6°109.5°
C19C18C17114.3°109.5°
C19C18H11108.3°109.5°
C19C18H12108.3°109.5°
C18C19H13108.7°109.5°
C18C19H14108.7°109.5°
C22C23C24112.9°109.4°
C23C22H20108.3°109.5°
C23C22H21108.3°109.5°
C22C23H22108.6°109.5°
C22C23H23108.6°109.5°
C23C24C25113.1°109.4°
C24C23H22108.6°109.5°
C24C23H23108.6°109.4°
C23C24H24108.6°109.5°
C23C24H25108.6°109.4°
C18C17S16110.4°109.5°
C18C17H9109.3°109.4°
C18C17H10109.2°109.4°
C17C18H11108.2°109.4°
C17C18H12108.3°109.4°
S16C17H9109.2°109.5°
S16C17H10109.3°109.5°
C11C12C13109.4°109.5°
C12C11O29121.7°120.0°
C11C12H2108.5°109.5°
C12C11O1115.2°120.0°
C13C12H2108.5°109.5°
C12C13H3109.5°109.5°
C12C13H4109.5°109.5°
C12C13H5109.5°109.5°
C24C25C26113.8°109.5°
C25C24H24108.5°109.5°
C25C24H25108.6°109.5°
C24C25H26108.4°109.5°
C24C25H27108.4°109.5°
O29C11O1123.1°120.0°
C25C26C27112.2°109.5°
C26C25H26108.4°109.5°
C26C25H27108.4°109.4°
C25C26H28108.8°109.4°
C25C26H29108.8°109.4°
C26C27C28111.7°109.4°
C27C26H28108.8°109.5°
C27C26H29108.8°109.5°
C26C27H30108.9°109.5°
C26C27H31108.9°109.5°
C28C27H30108.9°109.5°
C28C27H31108.9°109.5°
C27C28H32109.5°109.4°
C27C28H33109.5°109.4°
C27C28H34109.5°109.4°
H3C13H4109.5°109.4°
H3C13H5109.5°109.5°
H4C13H5109.4°109.5°
H6C21H7109.5°109.5°
H9C17H10109.5°109.5°
H11C18H12109.5°109.5°
H13C19H14109.4°109.5°
H15C20H16109.5°109.5°
H17C15H18109.5°109.5°
H17C15H19109.4°109.5°
H18C15H19109.5°109.4°
H20C22H21109.5°109.5°
H22C23H23109.4°109.5°
H24C24H25109.5°109.5°
H26C25H27109.5°109.5°
H28C26H29109.5°109.5°
H30C27H31109.5°109.5°
H32C28H33109.5°109.6°
H32C28H34109.5°109.5°
H33C28H34109.5°109.5°
C11O1H1109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C14C12S16123.8°120.0°
C15C14C12H8122.3°120.0°
C15C14S16H8117.4°120.0°
C15C14S16C1790.6°65.0°
C15C14C12C1153.0°65.0°
C15C14C12C13175.0°55.0°
C15C14C12H264.9°175.0°
C14C15H17H18120.0°120.0°
C14C15H17H19120.0°120.1°
C14C15H18H19120.0°120.0°
C21C20C19H15120.7°120.0°
C21C20C19H16120.7°120.1°
C20C21C22H6120.4°120.0°
C20C21C22H7120.5°120.0°
C21C20C19C18161.6°NaN°
C20C21C22C23179.5°180.0°
C20C21H6H7118.7°120.0°
C21C20C19H1341.1°60.0°
C21C20C19H1477.9°60.0°
C21C20H15H16117.9°120.1°
C20C21C22H2058.9°60.0°
C20C21C22H2159.8°60.0°
C19C20C21C22120.9°180.0°
C20C19C18H13120.5°120.0°
C20C19C18H14120.5°119.9°
C20C19C18C17147.3°180.0°
C19C20C21H6118.6°60.0°
C19C20C21H70.5°60.0°
C20C19C18H1126.6°60.0°
C20C19C18H1292.0°60.0°
C20C19H13H14118.5°120.0°
C19C20H15H16117.9°120.0°
C21C22C23H20120.6°119.9°
C21C22C23H21120.6°120.0°
C21C22C23C24167.8°180.0°
C22C21H6H7118.6°120.0°
C22C21C20H15118.4°60.0°
C22C21C20H160.3°60.0°
C21C22H20H21117.9°120.0°
C21C22C23H2247.2°60.0°
C21C22C23H2371.7°60.0°
C12C14S16H8115.7°120.0°
C12C14S16C17142.4°175.0°
C14C12C11C13124.0°120.0°
C14C12C11H2117.8°119.9°
C14C12C13H2119.9°119.9°
C14C12C11O2975.1°0.1°
C14C12C13H3180.0°180.0°
C14C12C13H460.0°60.0°
C14C12C13H560.0°60.0°
C12C14C15H17180.0°180.0°
C12C14C15H1860.0°60.0°
C12C14C15H1960.0°60.0°
C14C12C11O1104.4°179.7°
C14S16C17C1857.9°180.0°
S16C14C12C1170.8°175.0°
S16C14C12C1351.2°65.0°
S16C14C12H2171.2°55.0°
C14S16C17H9178.0°60.0°
C14S16C17H1062.3°60.0°
S16C14C15H1757.5°60.0°
S16C14C15H18177.6°180.0°
S16C14C15H1962.4°60.0°
C19C18C17H11120.7°120.0°
C19C18C17H12120.7°120.0°
C19C18C17S16175.3°180.0°
C19C18C17H955.2°60.0°
C19C18C17H1064.5°60.0°
C19C18H11H12117.8°120.0°
C18C19H13H14118.5°120.0°
C18C19C20H1577.7°60.0°
C18C19C20H1640.9°59.9°
C22C23C24H22120.5°120.0°
C22C23C24H23120.5°120.0°
C22C23C24C2552.8°NaN°
C23C22C21H660.0°60.0°
C23C22C21H759.1°60.0°
C23C22H20H21118.0°120.0°
C22C23H22H23118.4°120.0°
C22C23C24H2467.7°60.0°
C22C23C24H25173.3°60.0°
C23C24C25H24120.5°120.0°
C23C24C25H25120.5°120.0°
C23C24C25C26172.3°180.0°
C24C23C22H2071.6°60.0°
C24C23C22H2147.1°60.0°
C24C23H22H23118.4°120.0°
C23C24H24H25118.3°120.0°
C23C24C25H2667.1°60.0°
C23C24C25H2751.7°60.0°
C18C17S16H9120.2°120.0°
C18C17S16H10120.1°120.0°
C18C17H9H10119.6°119.9°
C17C18H11H12117.8°119.9°
C17C18C19H1392.2°60.0°
C17C18C19H1426.8°60.1°
C17S16C14H826.7°55.0°
S16C17H9H10119.6°120.1°
S16C17C18H1164.0°60.0°
S16C17C18H1254.6°60.0°
C11C12C13H2118.3°120.1°
C12C11O29O1179.5°179.7°
C11C12C13H358.2°60.0°
C11C12C13H4178.2°180.0°
C11C12C13H561.9°60.0°
C11C12C14H8175.4°55.0°
C12C11O1H1179.5°179.8°
C13C12C11O2948.8°120.0°
C12C13H3H4120.0°120.0°
C12C13H3H5120.0°120.0°
C12C13H4H5120.0°120.0°
C13C12C14H862.7°175.0°
C13C12C11O1131.7°60.3°
C24C25C26H26120.7°120.0°
C24C25C26H27120.6°120.0°
C24C25C26C27175.6°180.0°
C25C24C23H22173.3°60.0°
C25C24C23H2367.8°60.0°
C25C24H24H25118.4°120.0°
C24C25H26H27118.0°120.0°
C24C25C26H2855.2°60.0°
C24C25C26H2964.0°60.0°
O29C11C12H2167.1°120.0°
O29C11O1H10.0°0.0°
C25C26C27H28120.4°120.0°
C25C26C27H29120.4°120.0°
C25C26C27C2842.9°180.0°
C26C25C24H2451.8°60.0°
C26C25C24H2567.2°60.0°
C26C25H26H27118.0°120.0°
C25C26H28H29118.7°119.9°
C25C26C27H3077.4°60.0°
C25C26C27H31163.2°60.0°
C26C27C28H30120.3°120.0°
C26C27C28H31120.4°120.0°
C27C26C25H2663.8°60.0°
C27C26C25H2755.0°60.0°
C27C26H28H29118.8°120.0°
C26C27H30H31119.0°120.0°
C26C27C28H32180.0°60.0°
C26C27C28H3360.0°60.1°
C26C27C28H3460.0°180.0°
C28C27C26H28163.3°60.0°
C28C27C26H2977.5°60.0°
C28C27H30H31119.0°120.0°
C27C28H32H33120.0°120.0°
C27C28H32H34120.0°119.9°
C27C28H33H34120.0°119.9°
H2C12C13H360.1°60.0°
H2C12C13H459.9°59.9°
H2C12C13H5179.9°179.9°
H2C12C14H857.4°65.0°
H2C12C11O113.4°59.7°
H3C13H4H5120.0°120.0°
H6C21C20H152.1°60.0°
H6C21C20H16120.7°180.0°
H6C21C22H20179.3°180.0°
H6C21C22H2160.6°60.0°
H7C21C20H15121.2°180.0°
H7C21C20H16120.2°60.0°
H7C21C22H2061.6°60.0°
H7C21C22H21179.7°180.0°
H8C14C15H1757.9°60.0°
H8C14C15H1862.2°60.0°
H8C14C15H19177.8°179.9°
H9C17C18H11175.9°60.0°
H9C17C18H1265.5°180.0°
H10C17C18H1156.2°180.0°
H10C17C18H12174.8°60.0°
H11C18C19H13147.1°180.0°
H11C18C19H1493.9°59.9°
H12C18C19H1328.5°60.0°
H12C18C19H14147.5°180.0°
H13C19C20H15161.8°60.0°
H13C19C20H1679.6°179.9°
H14C19C20H1542.8°180.0°
H14C19C20H16161.4°60.0°
H17C15H18H19119.9°120.0°
H20C22C23H22167.9°179.9°
H20C22C23H2348.9°59.9°
H21C22C23H2273.4°60.0°
H21C22C23H23167.6°180.0°
H22C23C24H2452.8°180.0°
H22C23C24H2566.1°60.0°
H23C23C24H24171.7°60.0°
H23C23C24H2552.8°180.0°
H24C24C25H26172.4°180.0°
H24C24C25H2768.9°59.9°
H25C24C25H2653.5°60.0°
H25C24C25H27172.2°180.0°
H26C25C26H28175.8°180.0°
H26C25C26H2956.7°60.0°
H27C25C26H2865.5°60.0°
H27C25C26H29175.4°180.0°
H28C26C27H3043.0°180.0°
H28C26C27H3176.3°60.0°
H29C26C27H30162.2°60.0°
H29C26C27H3142.9°180.0°
H30C27C28H3259.7°180.0°
H30C27C28H33179.7°59.9°
H30C27C28H3460.3°60.0°
H31C27C28H3259.6°60.0°
H31C27C28H3360.4°179.9°
H31C27C28H34179.7°60.0°
H32C28H33H34120.0°120.1°

248942

PDB entries from 2026-02-11

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