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DA8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16C15sing1.53Å1.53Å
C16H16sing1.09Å1.10Å
C16C19sing1.53Å1.54Å
C16H16Asing1.09Å1.10Å
C15C14sing1.53Å1.56Å
C15H15sing1.09Å1.10Å
C15H15Asing1.09Å1.10Å
C14C13sing1.53Å1.52Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C13C12sing1.53Å1.55Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C12C11sing1.53Å1.53Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C11O1sing1.43Å1.38Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
O1C1sing1.43Å1.43Å
C1O5sing1.43Å1.45Å
C1C2sing1.53Å1.54Å
C1H1sing1.09Å1.10Å
O5C5sing1.43Å1.43Å
C5C6sing1.53Å1.56Å
C5C4sing1.53Å1.55Å
C5H5sing1.09Å1.10Å
C6O6sing1.43Å1.45Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
O6HO6sing0.97Å0.95Å
C4O4sing1.43Å1.44Å
C4C3sing1.53Å1.52Å
C4H4sing1.09Å1.10Å
O4HO4sing0.97Å0.95Å
C3C2sing1.53Å1.55Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C2O2sing1.43Å1.41Å
C2H2sing1.09Å1.10Å
O2C1Fsing1.43Å1.44Å
C1FO5Fsing1.43Å1.44Å
C1FC2Fsing1.53Å1.57Å
C1FH1Fsing1.09Å1.10Å
O5FC5Fsing1.43Å1.48Å
C5FC6Fsing1.53Å1.52Å
C5FC4Fsing1.53Å1.55Å
C5FH5Fsing1.09Å1.10Å
C6FH6Fsing1.09Å1.10Å
C6FH6FAsing1.09Å1.10Å
C6FH6FBsing1.09Å1.10Å
C4FO4Fsing1.43Å1.43Å
C4FC3Fsing1.53Å1.56Å
C4FH4Fsing1.09Å1.10Å
O4FHO4Fsing0.97Å0.95Å
C3FO3Fsing1.43Å1.46Å
C3FC2Fsing1.53Å1.54Å
C3FH3Fsing1.09Å1.10Å
O3FHO3Fsing0.97Å0.95Å
C2FO2Fsing1.43Å1.41Å
C2FH2Fsing1.09Å1.10Å
O2FHO2Fsing0.97Å0.95Å
C19H34sing1.09Å1.10Å
C19C20sing1.53Å1.54Å
C19H35sing1.09Å1.10Å
C20H36sing1.09Å1.10Å
C20H37sing1.09Å1.10Å
C20H38sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C16H16109.5°109.5°
C15C16C19109.4°109.5°
C15C16H16A109.5°109.5°
C16C15C14109.2°109.5°
C16C15H15109.6°109.5°
C16C15H15A109.6°109.5°
H16C16C19109.5°109.5°
H16C16H16A109.5°109.4°
C19C16H16A109.5°109.5°
C16C19H34109.5°109.5°
C16C19C20109.5°109.5°
C16C19H35109.5°109.5°
C14C15H15109.6°109.5°
C14C15H15A109.6°109.5°
C15C14C13113.5°109.5°
C15C14H14108.2°109.5°
C15C14H14A107.2°109.5°
H15C15H15A109.3°109.4°
C13C14H14108.2°109.5°
C13C14H14A107.2°109.5°
C14C13C12120.3°109.5°
C14C13H13106.1°109.4°
C14C13H13A103.5°109.4°
H14C14H14A112.7°109.4°
C12C13H13106.0°109.5°
C12C13H13A103.5°109.5°
C13C12C11120.0°109.5°
C13C12H12106.1°109.5°
C13C12H12A103.7°109.5°
H13C13H13A118.4°109.4°
C11C12H12106.1°109.4°
C11C12H12A103.7°109.4°
C12C11O1111.6°109.5°
C12C11H11108.8°109.5°
C12C11H11A108.2°109.5°
H12C12H12A118.1°109.5°
O1C11H11108.7°109.5°
O1C11H11A108.3°109.5°
C11O1C1112.3°114.0°
H11C11H11A111.2°109.5°
O1C1O5108.9°109.5°
O1C1C2107.8°109.5°
O1C1H1110.9°109.5°
O5C1C2109.7°109.4°
O5C1H1109.2°109.5°
C1O5C5112.0°114.1°
C2C1H1110.3°109.5°
C1C2C3111.1°109.2°
C1C2O2109.2°109.5°
C1C2H2108.5°109.6°
O5C5C6110.5°109.5°
O5C5C4111.0°109.5°
O5C5H5109.0°109.5°
C6C5C4112.9°109.5°
C6C5H5106.9°109.5°
C5C6O6108.0°109.5°
C5C6H6110.0°109.4°
C5C6H6A110.3°109.5°
C4C5H5106.3°109.5°
C5C4O4111.1°109.5°
C5C4C3108.3°109.1°
C5C4H4109.1°109.5°
O6C6H6110.0°109.5°
O6C6H6A110.3°109.5°
C6O6HO6109.5°114.0°
H6C6H6A108.4°109.5°
O4C4C3109.1°109.5°
O4C4H4108.3°109.5°
C4O4HO4109.5°114.0°
C3C4H4111.1°109.6°
C4C3C2108.5°109.1°
C4C3H3109.8°109.6°
C4C3H3A110.0°109.6°
C2C3H3109.8°109.6°
C2C3H3A110.0°109.5°
C3C2O2109.4°109.5°
C3C2H2108.4°109.5°
H3C3H3A108.7°109.6°
O2C2H2110.3°109.5°
C2O2C1F112.1°114.0°
O2C1FO5F114.1°109.5°
O2C1FC2F108.5°109.4°
O2C1FH1F107.1°109.5°
O5FC1FC2F109.9°109.4°
O5FC1FH1F105.6°109.5°
C1FO5FC5F113.5°114.1°
C2FC1FH1F111.6°109.5°
C1FC2FC3F108.9°109.2°
C1FC2FO2F110.2°109.5°
C1FC2FH2F108.8°109.5°
O5FC5FC6F110.0°109.5°
O5FC5FC4F110.3°109.4°
O5FC5FH5F109.4°109.5°
C6FC5FC4F112.1°109.5°
C6FC5FH5F107.7°109.5°
C5FC6FH6F109.5°109.5°
C5FC6FH6FA109.4°109.5°
C5FC6FH6FB109.4°109.4°
C4FC5FH5F107.3°109.5°
C5FC4FO4F110.9°109.5°
C5FC4FC3F109.9°109.1°
C5FC4FH4F109.1°109.5°
H6FC6FH6FA109.5°109.5°
H6FC6FH6FB109.4°109.4°
H6FAC6FH6FB109.5°109.5°
O4FC4FC3F111.8°109.6°
O4FC4FH4F107.0°109.5°
C4FO4FHO4F109.5°114.0°
C3FC4FH4F108.1°109.6°
C4FC3FO3F111.9°109.5°
C4FC3FC2F109.5°109.0°
C4FC3FH3F108.1°109.6°
O3FC3FC2F110.4°109.6°
O3FC3FH3F107.2°109.5°
C3FO3FHO3F109.5°114.0°
C2FC3FH3F109.7°109.6°
C3FC2FO2F107.8°109.5°
C3FC2FH2F111.2°109.5°
O2FC2FH2F109.9°109.6°
C2FO2FHO2F109.5°114.0°
H34C19C20109.5°109.5°
H34C19H35109.4°109.4°
C20C19H35109.4°109.5°
C19C20H36109.5°109.5°
C19C20H37109.5°109.5°
C19C20H38109.5°109.5°
H36C20H37109.4°109.5°
H36C20H38109.5°109.4°
H37C20H38109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C16H16C19120.0°120.0°
C15C16H16H16A120.0°120.0°
C15C16C19H16A120.0°120.0°
C16C15C14H15120.0°120.0°
C16C15C14H15A120.1°120.0°
C16C15H15H15A120.1°120.0°
C16C15C14C13142.5°180.0°
C16C15C14H1422.5°60.0°
C16C15C14H14A99.2°60.0°
C15C16C19H3438.6°60.0°
C15C16C19C20158.6°180.0°
C15C16C19H3581.4°60.0°
H16C16C19H16A120.0°120.0°
H16C16C15C1427.2°60.0°
H16C16C15H1592.8°180.0°
H16C16C15H15A147.3°60.0°
H16C16C19H34158.5°180.0°
H16C16C19C2081.4°60.0°
H16C16C19H3538.5°60.0°
C19C16C15C14147.2°180.0°
C19C16C15H1527.2°60.0°
C19C16C15H15A92.7°60.0°
C16C19H34C20120.0°120.0°
C16C19H34H35120.0°120.0°
C16C19C20H35120.0°120.0°
C16C19C20H3654.0°60.0°
C16C19C20H37174.0°180.0°
C16C19C20H3866.0°60.0°
H16AC16C15C1492.8°60.0°
H16AC16C15H15147.2°60.0°
H16AC16C15H15A27.3°NaN°
H16AC16C19H3481.5°60.0°
H16AC16C19C2038.5°60.0°
H16AC16C19H35158.5°180.0°
C14C15H15H15A120.1°120.0°
C15C14C13H14120.0°120.0°
C15C14C13H14A118.2°120.0°
C15C14H14H14A118.3°120.0°
C15C14C13C12179.7°180.0°
C15C14C13H1360.3°60.0°
C15C14C13H13A65.0°60.0°
H15C15C14C1397.5°60.0°
H15C15C14H14142.5°180.0°
H15C15C14H14A20.8°60.0°
H15AC15C14C1322.4°60.0°
H15AC15C14H1497.6°60.0°
H15AC15C14H14A140.7°180.0°
C13C14H14H14A118.4°120.0°
C14C13C12H13120.0°120.0°
C14C13C12H13A114.7°120.0°
C14C13H13H13A115.6°119.9°
C14C13C12C111.9°180.0°
C14C13C12H12121.9°60.0°
C14C13C12H12A113.0°60.1°
H14C14C13C1259.7°60.0°
H14C14C13H13179.7°180.0°
H14C14C13H13A55.0°60.1°
H14AC14C13C1262.1°60.0°
H14AC14C13H1357.9°60.1°
H14AC14C13H13A176.8°180.0°
C12C13H13H13A115.5°120.1°
C13C12C11H12120.0°120.0°
C13C12C11H12A114.9°120.0°
C13C12H12H12A115.7°120.1°
C13C12C11O1179.9°175.6°
C13C12C11H1160.1°64.4°
C13C12C11H11A60.9°55.6°
H13C13C12C11118.1°60.0°
H13C13C12H121.9°180.0°
H13C13C12H12A127.0°59.9°
H13AC13C12C11116.6°60.0°
H13AC13C12H12123.4°60.0°
H13AC13C12H12A1.7°179.9°
C11C12H12H12A115.7°119.9°
C12C11O1H11120.0°120.0°
C12C11O1H11A119.1°120.0°
C12C11H11H11A119.1°120.0°
C12C11O1C1178.4°175.1°
H12C12C11O159.9°55.5°
H12C12C11H11179.9°175.6°
H12C12C11H11A59.1°64.5°
H12AC12C11O165.2°64.4°
H12AC12C11H1154.8°55.6°
H12AC12C11H11A175.8°175.6°
O1C11H11H11A119.1°120.0°
C11O1C1O563.8°70.9°
C11O1C1C2177.3°169.2°
C11O1C1H156.4°49.2°
H11C11O1C161.6°64.9°
H11AC11O1C159.3°55.1°
O1C1O5C2117.8°119.9°
O1C1O5H1121.3°120.0°
O1C1C2H1121.3°120.0°
O1C1O5C5177.1°178.9°
O1C1C2C3174.5°177.6°
O1C1C2O264.7°62.5°
O1C1C2H255.5°57.6°
O5C1C2H1120.2°120.0°
C1O5C5C6171.5°178.9°
C1O5C5C462.4°61.1°
C1O5C5H554.3°58.8°
O5C1C2C356.1°57.6°
O5C1C2O2176.8°177.5°
O5C1C2H263.0°62.3°
C2C1O5C559.3°61.1°
C1C2C3C455.8°57.0°
C1C2C3O2120.6°119.9°
C1C2C3H2119.1°120.0°
C1C2C3H3175.8°176.9°
C1C2C3H3A64.6°62.9°
C1C2O2H2119.1°120.2°
C1C2O2C1F145.4°155.8°
H1C1O5C561.6°58.9°
H1C1C2C364.2°62.4°
H1C1C2O256.6°57.5°
H1C1C2H2176.8°177.7°
O5C5C6C4125.0°120.0°
O5C5C6H5118.4°120.0°
O5C5C4H5118.4°120.0°
O5C5C6O659.4°65.0°
O5C5C6H6179.4°175.0°
O5C5C6H6A61.2°55.1°
O5C5C4O459.2°62.3°
O5C5C4C360.5°57.6°
O5C5C4H4178.5°177.6°
C6C5C4H5116.9°120.0°
C5C6O6H6120.0°120.0°
C5C6O6H6A120.6°120.0°
C5C6H6H6A120.6°120.0°
C5C6O6HO682.2°180.0°
C6C5C4O465.5°57.7°
C6C5C4C3174.7°177.6°
C6C5C4H453.7°62.4°
C4C5C6O6175.6°175.0°
C4C5C6H655.6°55.0°
C4C5C6H6A63.8°64.9°
C5C4O4C3119.3°119.6°
C5C4O4H4119.7°120.1°
C5C4C3H4119.7°119.9°
C5C4O4HO435.6°180.0°
C5C4C3C256.4°57.0°
C5C4C3H3176.3°176.9°
C5C4C3H3A64.1°62.9°
H5C5C6O659.0°55.0°
H5C5C6H661.0°64.9°
H5C5C6H6A179.6°175.1°
H5C5C4O4177.6°177.7°
H5C5C4C357.8°62.4°
H5C5C4H463.2°57.6°
O6C6H6H6A120.6°120.0°
H6C6O6HO637.8°60.1°
H6AC6O6HO6157.3°59.9°
O4C4C3H4119.3°120.2°
O4C4C3C264.6°62.9°
O4C4C3H355.3°57.0°
O4C4C3H3A174.9°177.2°
C3C4O4HO483.7°60.3°
C4C3C2H3120.0°119.9°
C4C3C2H3A120.4°119.9°
C4C3H3H3A120.4°120.2°
C4C3C2O2176.5°176.9°
C4C3C2H263.3°63.0°
H4C4O4HO4155.3°59.9°
H4C4C3C2176.1°176.9°
H4C4C3H363.9°63.2°
H4C4C3H3A55.7°57.0°
C2C3H3H3A120.4°120.2°
C3C2O2H2119.0°120.1°
C3C2O2C1F92.8°84.5°
H3C3C2O263.5°63.2°
H3C3C2H256.7°57.0°
H3AC3C2O256.1°57.0°
H3AC3C2H2176.3°177.2°
C2O2C1FO5F67.0°71.2°
C2O2C1FC2F170.1°169.0°
C2O2C1FH1F49.5°48.9°
H2C2O2C1F26.2°35.6°
O2C1FO5FC2F122.1°119.9°
O2C1FO5FH1F117.4°120.1°
O2C1FC2FH1F117.8°120.1°
O2C1FO5FC5F61.3°58.7°
O2C1FC2FC3F66.4°62.3°
O2C1FC2FO2F51.7°57.6°
O2C1FC2FH2F172.3°177.8°
O5FC1FC2FH1F116.8°120.0°
C1FO5FC5FC6F176.6°178.8°
C1FO5FC5FC4F59.3°61.2°
C1FO5FC5FH5F58.5°58.8°
O5FC1FC2FC3F59.1°57.6°
O5FC1FC2FO2F177.1°177.5°
O5FC1FC2FH2F62.3°62.3°
C2FC1FO5FC5F60.8°61.2°
C1FC2FC3FC4F56.8°57.0°
C1FC2FC3FO3F179.5°176.8°
C1FC2FC3FO2F119.6°119.9°
C1FC2FC3FH2F119.9°119.9°
C1FC2FC3FH3F61.6°62.9°
C1FC2FO2FH2F120.0°120.2°
C1FC2FO2FHO2F74.5°60.0°
H1FC1FO5FC5F178.7°178.8°
H1FC1FC2FC3F175.9°177.6°
H1FC1FC2FO2F66.0°62.5°
H1FC1FC2FH2F54.6°57.7°
O5FC5FC6FC4F123.1°119.9°
O5FC5FC6FH5F119.2°120.1°
O5FC5FC4FH5F119.2°120.0°
O5FC5FC6FH6F166.2°58.1°
O5FC5FC6FH6FA46.2°178.2°
O5FC5FC6FH6FB73.9°61.8°
O5FC5FC4FO4F68.9°62.3°
O5FC5FC4FC3F55.1°57.7°
O5FC5FC4FH4F173.5°177.6°
C6FC5FC4FH5F118.0°120.1°
C5FC6FH6FH6FA120.0°120.0°
C5FC6FH6FH6FB120.0°119.9°
C5FC6FH6FAH6FB120.0°119.9°
C6FC5FC4FO4F54.0°57.7°
C6FC5FC4FC3F178.0°177.6°
C6FC5FC4FH4F63.7°62.4°
C4FC5FC6FH6F70.7°61.8°
C4FC5FC6FH6FA169.3°58.3°
C4FC5FC6FH6FB49.2°178.3°
C5FC4FO4FC3F123.0°119.7°
C5FC4FO4FH4F118.8°120.1°
C5FC4FC3FH4F118.9°119.9°
C5FC4FO4FHO4F158.7°60.0°
C5FC4FC3FO3F178.6°176.9°
C5FC4FC3FC2F55.8°57.0°
C5FC4FC3FH3F63.7°62.9°
H5FC5FC6FH6F47.0°178.2°
H5FC5FC6FH6FA73.0°61.8°
H5FC5FC6FH6FB167.0°58.2°
H5FC5FC4FO4F171.9°177.7°
H5FC5FC4FC3F64.0°62.3°
H5FC5FC4FH4F54.3°57.6°
H6FC6FH6FAH6FB120.0°120.0°
O4FC4FC3FH4F117.6°120.2°
O4FC4FC3FO3F55.0°57.0°
O4FC4FC3FC2F67.8°62.9°
O4FC4FC3FH3F172.8°177.1°
C3FC4FO4FHO4F35.7°179.7°
C4FC3FO3FC2F122.3°119.5°
C4FC3FO3FH3F118.3°120.2°
C4FC3FC2FH3F118.5°119.9°
C4FC3FO3FHO3F153.3°180.0°
C4FC3FC2FO2F176.4°176.9°
C4FC3FC2FH2F63.1°62.9°
H4FC4FO4FHO4F82.4°60.1°
H4FC4FC3FO3F62.5°63.2°
H4FC4FC3FC2F174.7°176.9°
H4FC4FC3FH3F55.2°56.9°
O3FC3FC2FH3F117.9°120.2°
O3FC3FC2FO2F59.9°63.2°
O3FC3FC2FH2F60.6°56.9°
C2FC3FO3FHO3F84.5°60.4°
C3FC2FO2FH2F121.3°120.1°
C3FC2FO2FHO2F166.8°179.7°
H3FC3FO3FHO3F34.9°59.8°
H3FC3FC2FO2F57.9°57.0°
H3FC3FC2FH2F178.5°177.2°
H2FC2FO2FHO2F45.5°60.2°
H34C19C20H35120.0°120.0°
H34C19C20H3666.0°180.0°
H34C19C20H3754.0°60.0°
H34C19C20H38174.0°60.0°
C19C20H36H37120.0°120.0°
C19C20H36H38120.0°120.0°
C19C20H37H38120.0°120.0°
H35C19C20H36174.0°60.0°
H35C19C20H3766.0°60.0°
H35C19C20H3854.0°180.0°
H36C20H37H38120.0°120.0°

224931

PDB entries from 2024-09-11

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