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OI2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C27C17sing1.51Å1.52Å
C18C17doub1.36Å1.32Å
C18C19sing1.40Å1.53Å
C17C16sing1.41Å1.53Å
C20C19doub1.37Å1.32Å
C20C21sing1.40Å1.53Å
C01C02sing1.53Å1.52Å
C01C06sing1.53Å1.53Å
C02C03sing1.51Å1.52Å
C22C21doub1.36Å1.32Å
C22C23sing1.41Å1.53Å
C21C26sing1.51Å1.53Å
O24C23doub1.22Å1.26Å
C16C03doub1.36Å1.32Å
C23O25sing1.35Å1.26Å
C03C04sing1.41Å1.52Å
C06C05sing1.51Å1.53Å
C04C05doub1.33Å1.54Å
C04C11sing1.51Å1.53Å
C05C07sing1.51Å1.53Å
C11C12sing1.53Å1.52Å
C07C10sing1.53Å1.53Å
C07C08sing1.53Å1.52Å
C12C13sing1.53Å1.54Å
C08C09sing1.53Å1.52Å
C13C15sing1.53Å1.53Å
C13C14sing1.53Å1.52Å
C14H1sing1.09Å1.10Å
C14H2sing1.09Å1.10Å
C14H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C16H8sing1.08Å1.08Å
C10H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C11H15sing1.09Å1.10Å
C01H16sing1.09Å1.10Å
C01H17sing1.09Å1.10Å
C02H18sing1.09Å1.10Å
C02H19sing1.09Å1.10Å
C06H20sing1.09Å1.10Å
C06H21sing1.09Å1.10Å
C07H22sing1.09Å1.10Å
C08H23sing1.09Å1.10Å
C08H24sing1.09Å1.10Å
C09H25sing1.09Å1.10Å
C09H26sing1.09Å1.10Å
C09H27sing1.09Å1.10Å
C18H28sing1.08Å1.08Å
C19H29sing1.08Å1.08Å
C20H30sing1.08Å1.08Å
C22H31sing1.08Å1.08Å
C26H32sing1.09Å1.10Å
C26H33sing1.09Å1.10Å
C26H34sing1.09Å1.10Å
C27H35sing1.09Å1.10Å
C27H36sing1.09Å1.10Å
C27H37sing1.09Å1.10Å
O25H38sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C27C17C18118.8°120.0°
C27C17C16119.1°120.0°
C17C27H35109.5°109.5°
C17C27H36109.5°109.4°
C17C27H37109.5°109.5°
C17C18C19123.5°120.0°
C18C17C16122.1°120.0°
C17C18H28118.3°119.9°
C18C19C20118.4°120.0°
C19C18H28118.3°120.0°
C18C19H29120.9°120.0°
C17C16C03120.4°120.0°
C17C16H8119.8°120.0°
C19C20C21120.7°120.0°
C20C19H29120.8°120.0°
C19C20H30119.7°119.9°
C20C21C22114.1°120.0°
C20C21C26122.4°120.0°
C21C20H30119.6°120.0°
C02C01C06114.5°108.8°
C01C02C03114.0°108.9°
C02C01H16108.2°109.5°
C02C01H17108.2°109.6°
C01C02H18108.3°109.6°
C01C02H19108.3°109.6°
C01C06C05115.4°109.6°
C06C01H16108.2°109.6°
C06C01H17108.2°109.6°
C01C06H20107.9°109.5°
C01C06H21107.9°109.4°
C02C03C16120.4°119.8°
C02C03C04119.6°120.5°
C03C02H18108.3°109.5°
C03C02H19108.3°109.5°
C21C22C23129.4°120.0°
C22C21C26123.5°120.0°
C21C22H31115.3°120.0°
C22C23O24116.1°120.0°
C22C23O25123.3°120.0°
C23C22H31115.3°120.0°
C21C26H32109.5°109.5°
C21C26H33109.4°109.5°
C21C26H34109.5°109.5°
O24C23O25120.5°120.0°
C16C03C04119.9°119.8°
C03C16H8119.8°120.0°
C23O25H38109.5°114.0°
C03C04C05118.1°121.7°
C03C04C11118.0°119.1°
C06C05C04119.8°121.4°
C06C05C07114.3°119.3°
C05C06H20108.0°109.4°
C05C06H21108.0°109.4°
C05C04C11123.0°119.2°
C04C05C07125.6°119.3°
C04C11C12114.1°109.5°
C04C11H14108.3°109.5°
C04C11H15108.3°109.4°
C05C07C10114.3°109.5°
C05C07C08112.6°109.4°
C05C07H22105.0°109.5°
C11C12C13112.1°109.5°
C11C12H12108.8°109.5°
C11C12H13108.8°109.4°
C12C11H14108.3°109.5°
C12C11H15108.3°109.5°
C10C07C08113.6°109.5°
C07C10H9109.5°109.5°
C07C10H10109.5°109.5°
C07C10H11109.4°109.5°
C10C07H22105.1°109.5°
C07C08C09107.2°109.4°
C08C07H22105.2°109.5°
C07C08H23110.1°109.4°
C07C08H24110.0°109.5°
C12C13C15110.4°109.5°
C12C13C14111.3°109.5°
C12C13H4108.7°109.5°
C13C12H12108.8°109.5°
C13C12H13108.8°109.5°
C09C08H23110.0°109.5°
C09C08H24110.1°109.5°
C08C09H25109.5°109.5°
C08C09H26109.5°109.5°
C08C09H27109.5°109.4°
C15C13C14108.8°109.5°
C15C13H4108.8°109.4°
C13C15H5109.5°109.4°
C13C15H6109.5°109.4°
C13C15H7109.5°109.5°
C13C14H1109.5°109.5°
C13C14H2109.5°109.5°
C13C14H3109.4°109.4°
C14C13H4108.8°109.4°
H1C14H2109.5°109.4°
H1C14H3109.5°109.5°
H2C14H3109.5°109.4°
H5C15H6109.4°109.5°
H5C15H7109.5°109.5°
H6C15H7109.5°109.5°
H9C10H10109.4°109.5°
H9C10H11109.5°109.4°
H10C10H11109.5°109.4°
H12C12H13109.5°109.5°
H14C11H15109.5°109.5°
H16C01H17109.5°109.6°
H18C02H19109.5°109.7°
H20C06H21109.5°109.5°
H23C08H24109.5°109.5°
H25C09H26109.5°109.4°
H25C09H27109.5°109.5°
H26C09H27109.5°109.4°
H32C26H33109.5°109.5°
H32C26H34109.4°109.5°
H33C26H34109.5°109.4°
H35C27H36109.5°109.4°
H35C27H37109.4°109.5°
H36C27H37109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C27C17C18C16178.7°179.9°
C27C17C18C19177.4°180.0°
C27C17C16C0387.2°56.6°
C27C17C16H892.8°123.4°
C27C17C18H282.7°0.1°
C17C27H35H36120.0°120.0°
C17C27H35H37120.0°120.1°
C17C27H36H37120.0°120.0°
C17C18C19H28180.0°179.9°
C17C18C19C20174.8°180.0°
C18C17C16C0391.5°123.5°
C18C17C16H888.5°56.5°
C17C18C19H295.2°0.1°
C18C17C27H35180.0°84.7°
C18C17C27H3660.0°35.3°
C18C17C27H3760.0°155.2°
C19C18C17C163.9°0.1°
C18C19C20H29180.0°179.9°
C18C19C20C21175.1°180.0°
C18C19C20H304.9°0.1°
C17C16C03C0211.8°5.8°
C17C16C03H8180.0°180.0°
C17C16C03C04164.2°174.2°
C16C17C18H28176.1°180.0°
C16C17C27H351.3°95.3°
C16C17C27H36118.8°144.8°
C16C17C27H37121.3°24.8°
C19C20C21H30180.0°179.9°
C19C20C21C22151.0°180.0°
C19C20C21C2625.5°0.0°
C20C19C18H285.2°0.1°
C20C21C22C26176.5°180.0°
C20C21C22C23175.9°172.9°
C21C20C19H294.9°0.1°
C20C21C22H314.2°7.0°
C20C21C26H32180.0°95.2°
C20C21C26H3360.0°144.8°
C20C21C26H3460.0°24.8°
C02C01C06H16120.7°119.8°
C02C01C06H17120.7°119.8°
C01C02C03H18120.7°119.8°
C01C02C03H19120.7°119.8°
C01C02C03C16145.6°151.6°
C01C02C03C0430.4°28.5°
C02C01C06C0543.3°57.6°
C02C01H16H17117.7°120.3°
C01C02H18H19118.0°120.4°
C02C01C06H2077.6°62.4°
C02C01C06H21164.2°177.6°
C06C01C02C0350.8°56.5°
C01C06C05H20120.9°120.0°
C01C06C05H21120.9°120.0°
C01C06C05C0415.5°29.9°
C01C06C05C07158.1°150.1°
C06C01H16H17117.7°120.4°
C06C01C02H18171.4°176.3°
C06C01C02H1969.9°63.3°
C01C06H20H21117.2°120.0°
C02C03C16C04175.9°180.0°
C02C03C04C053.1°0.4°
C02C03C04C11166.2°179.5°
C02C03C16H8168.2°174.2°
C03C02C01H16171.5°176.3°
C03C02C01H1770.0°63.4°
C03C02H18H19117.9°120.2°
C21C22C23H31180.0°180.0°
C21C22C23O24155.8°6.0°
C21C22C23O2520.8°174.0°
C22C21C20H3029.0°0.1°
C22C21C26H323.8°84.9°
C22C21C26H33123.8°35.2°
C22C21C26H34116.2°155.1°
C23C22C21C260.6°7.1°
C22C23O24O25176.8°180.0°
C22C23O25H38176.5°180.0°
C26C21C20H30154.5°180.0°
C26C21C22H31179.4°172.9°
C21C26H32H33120.0°120.0°
C21C26H32H34120.0°120.0°
C21C26H33H34120.0°120.0°
O24C23C22H3124.2°174.0°
O24C23O25H380.0°0.0°
C16C03C04C05172.9°179.5°
C16C03C04C1117.9°0.5°
C16C03C02H1824.9°31.7°
C16C03C02H1993.7°88.6°
O25C23C22H31159.2°6.1°
C03C04C05C064.6°0.2°
C03C04C05C11168.6°179.9°
C03C04C05C07177.4°179.8°
C03C04C11C1276.5°87.5°
C04C03C16H815.8°5.8°
C03C04C11H14162.8°32.5°
C03C04C11H1544.2°152.5°
C04C03C02H18151.0°148.3°
C04C03C02H1990.3°91.4°
C06C05C04C07172.8°180.0°
C06C05C04C11173.2°179.8°
C06C05C07C10112.0°53.7°
C06C05C07C08116.4°66.3°
C05C06C01H16164.0°177.3°
C05C06C01H1777.4°62.3°
C05C06H20H21117.3°119.9°
C06C05C07H222.5°173.8°
C05C04C11C1292.1°92.5°
C04C05C07C1061.1°126.3°
C04C05C07C0870.5°113.8°
C05C04C11H1428.6°147.4°
C05C04C11H15147.2°27.4°
C04C05C06H20105.4°90.1°
C04C05C06H21136.4°149.9°
C04C05C07H22175.7°6.2°
C11C04C05C0714.0°0.2°
C04C11C12H14120.7°120.0°
C04C11C12H15120.7°119.9°
C04C11C12C13176.5°180.0°
C04C11C12H1263.1°60.0°
C04C11C12H1356.1°60.1°
C04C11H14H15117.9°120.0°
C05C07C10C08131.1°120.0°
C05C07C10H22114.5°120.0°
C05C07C08H22113.8°120.0°
C05C07C08C0994.0°175.0°
C05C07C10H9180.0°60.0°
C05C07C10H1060.0°180.0°
C05C07C10H1160.0°60.0°
C07C05C06H2081.1°89.9°
C07C05C06H2137.2°30.1°
C05C07C08H23146.3°65.0°
C05C07C08H2425.6°55.0°
C11C12C13H12120.4°120.0°
C11C12C13H13120.4°119.9°
C11C12C13C1552.1°175.0°
C11C12C13C14173.0°65.0°
C11C12C13H467.2°55.0°
C11C12H12H13118.8°120.0°
C12C11H14H15117.9°120.0°
C10C07C08H22114.3°120.0°
C10C07C08C09134.1°65.0°
C07C10H9H10120.0°120.0°
C07C10H9H11120.0°120.0°
C07C10H10H11120.0°120.0°
C10C07C08H2314.4°54.9°
C10C07C08H24106.3°175.0°
C07C08C09H23119.7°119.9°
C07C08C09H24119.6°120.0°
C08C07C10H948.9°60.0°
C08C07C10H10168.9°60.0°
C08C07C10H1171.1°180.0°
C07C08H23H24121.0°120.0°
C07C08C09H25180.0°60.0°
C07C08C09H2660.0°60.0°
C07C08C09H2760.0°179.9°
C12C13C15C14122.4°120.1°
C12C13C15H4119.2°120.0°
C12C13C14H4119.8°120.0°
C12C13C14H1180.0°180.0°
C12C13C14H260.0°60.0°
C12C13C14H360.0°60.0°
C12C13C15H5180.0°60.0°
C12C13C15H660.0°59.9°
C12C13C15H760.0°179.9°
C13C12H12H13118.8°120.0°
C13C12C11H1455.8°60.0°
C13C12C11H1562.8°60.1°
C09C08C07H2219.7°55.0°
C09C08H23H24121.1°120.0°
C08C09H25H26120.0°120.0°
C08C09H25H27120.0°120.0°
C08C09H26H27120.0°119.9°
C15C13C14H4118.4°119.9°
C15C13C14H158.2°60.0°
C15C13C14H2178.2°180.0°
C15C13C14H361.9°60.1°
C13C15H5H6120.0°119.9°
C13C15H5H7120.0°120.1°
C13C15H6H7120.0°120.0°
C15C13C12H12172.5°55.0°
C15C13C12H1368.3°65.0°
C13C14H1H2120.0°120.0°
C13C14H1H3120.0°120.0°
C13C14H2H3120.0°119.9°
C14C13C15H557.5°60.1°
C14C13C15H662.4°180.0°
C14C13C15H7177.6°60.0°
C14C13C12H1266.6°175.0°
C14C13C12H1352.6°55.0°
H1C14H2H3120.0°120.0°
H1C14C13H460.2°60.0°
H2C14C13H459.8°60.0°
H3C14C13H4179.8°180.0°
H4C13C15H560.9°180.0°
H4C13C15H6179.2°60.1°
H4C13C15H759.2°59.9°
H4C13C12H1253.2°65.0°
H4C13C12H13172.4°175.0°
H5C15H6H7120.0°120.1°
H9C10H10H11120.0°119.9°
H9C10C07H2265.5°NaN°
H10C10C07H2254.5°60.0°
H11C10C07H22174.5°60.0°
H12C12C11H14176.2°180.0°
H12C12C11H1557.6°60.0°
H13C12C11H1464.6°60.0°
H13C12C11H15176.8°180.0°
H16C01C02H1867.9°63.9°
H16C01C02H1950.8°56.5°
H16C01C06H2043.1°57.3°
H16C01C06H2175.1°62.6°
H17C01C02H1850.7°56.4°
H17C01C02H19169.4°176.8°
H17C01C06H20161.7°177.7°
H17C01C06H2143.5°57.8°
H22C07C08H2399.9°175.0°
H22C07C08H24139.3°65.0°
H23C08C09H2560.3°179.9°
H23C08C09H26179.7°59.9°
H23C08C09H2759.7°60.0°
H24C08C09H2560.4°60.0°
H24C08C09H2659.6°180.0°
H24C08C09H27179.6°60.0°
H25C09H26H27120.0°120.0°
H28C18C19H29174.8°180.0°
H29C19C20H30175.1°180.0°
H32C26H33H34120.0°120.0°
H35C27H36H37120.0°120.0°

225946

PDB entries from 2024-10-09

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