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MJA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O16C15doub1.21Å1.25Å
C15O15sing1.34Å1.43Å
C15C14sing1.51Å1.51Å
C14C13sing1.53Å1.53Å
C14H14sing1.09Å1.10Å
C14H14Asing1.09Å1.10Å
C13O13sing1.43Å1.43Å
C13C12sing1.53Å1.53Å
C13H13sing1.09Å1.10Å
O13HO13sing0.97Å0.95Å
C12C11sing1.53Å1.53Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C11O11sing1.43Å1.43Å
C11C10sing1.53Å1.53Å
C11H11sing1.09Å1.10Å
O11HO11sing0.97Å0.95Å
C10C9sing1.53Å1.54Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C9C1sing1.53Å1.54Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C1C8Asing1.53Å1.54Å
C1C2sing1.53Å1.53Å
C1H1sing1.09Å1.10Å
C8AC4Asing1.50Å1.51Å
C8AC8sing1.51Å1.53Å
C8AH8Asing1.09Å1.10Å
C2C2Msing1.53Å1.53Å
C2C3sing1.50Å1.51Å
C2H2sing1.09Å1.10Å
C2MH2Msing1.09Å1.10Å
C2MH2MAsing1.09Å1.10Å
C2MH2MBsing1.09Å1.10Å
C3C4doub1.32Å1.33Å
C3H3sing1.08Å1.08Å
C4C4Asing1.48Å1.48Å
C4H4sing1.08Å1.08Å
C4AC5doub1.32Å1.34Å
C5C6sing1.51Å1.52Å
C5H5sing1.08Å1.08Å
C6C6Msing1.53Å1.53Å
C6C7sing1.54Å1.53Å
C6H6sing1.09Å1.10Å
C6MH6Msing1.09Å1.10Å
C6MH6MAsing1.09Å1.10Å
C6MH6MBsing1.09Å1.10Å
C7C8sing1.53Å1.53Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8O8sing1.43Å1.44Å
C8H8sing1.09Å1.10Å
O8HO8sing0.97Å0.95Å
O15H30sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O16C15O15122.9°120.0°
O16C15C14118.2°120.0°
O15C15C14118.8°120.0°
C15O15H30109.5°117.0°
C15C14C13110.9°109.5°
C15C14H14109.0°109.5°
C15C14H14A108.6°109.4°
C13C14H14109.0°109.5°
C13C14H14A108.7°109.5°
C14C13O13110.8°109.5°
C14C13C12109.6°109.5°
C14C13H13108.4°109.5°
H14C14H14A110.6°109.5°
O13C13C12109.1°109.5°
O13C13H13108.9°109.5°
C13O13HO13109.5°114.1°
C12C13H13110.1°109.4°
C13C12C11113.3°109.5°
C13C12H12108.2°109.5°
C13C12H12A107.4°109.5°
C11C12H12108.2°109.5°
C11C12H12A107.3°109.4°
C12C11O11108.6°109.5°
C12C11C10111.7°109.5°
C12C11H11108.3°109.4°
H12C12H12A112.5°109.5°
O11C11C10108.5°109.5°
O11C11H11111.5°109.5°
C11O11HO11109.5°114.0°
C10C11H11108.4°109.4°
C11C10C9114.1°109.5°
C11C10H10108.0°109.5°
C11C10H10A106.9°109.4°
C9C10H10108.0°109.5°
C9C10H10A106.9°109.5°
C10C9C1119.0°109.4°
C10C9H9106.4°109.4°
C10C9H9A104.2°109.4°
H10C10H10A113.1°109.5°
C1C9H9106.4°109.5°
C1C9H9A104.2°109.5°
C9C1C8A111.0°109.6°
C9C1C2113.5°109.6°
C9C1H1105.7°109.6°
H9C9H9A117.2°109.5°
C8AC1C2110.1°108.7°
C8AC1H1109.4°109.6°
C1C8AC4A110.7°108.1°
C1C8AC8113.6°111.9°
C1C8AH8A105.5°107.5°
C2C1H1106.8°109.8°
C1C2C2M110.4°109.0°
C1C2C3112.1°111.7°
C1C2H2107.0°109.0°
C4AC8AC8108.9°114.6°
C4AC8AH8A110.6°107.6°
C8AC4AC4120.3°116.9°
C8AC4AC5122.1°123.8°
C8C8AH8A107.5°106.9°
C8AC8C7110.3°112.0°
C8AC8O8110.6°109.0°
C8AC8H8108.4°109.0°
C2MC2C3109.2°109.1°
C2MC2H2110.0°109.0°
C2C2MH2M109.5°109.5°
C2C2MH2MA109.5°109.5°
C2C2MH2MB109.5°109.5°
C3C2H2108.2°109.0°
C2C3C4121.5°124.1°
C2C3H3119.3°117.9°
H2MC2MH2MA109.5°109.4°
H2MC2MH2MB109.4°109.5°
H2MAC2MH2MB109.5°109.5°
C4C3H3119.2°118.0°
C3C4C4A121.1°119.8°
C3C4H4119.5°120.1°
C4AC4H4119.5°120.1°
C4C4AC5117.6°119.3°
C4AC5C6124.4°121.1°
C4AC5H5117.8°119.4°
C6C5H5117.8°119.5°
C5C6C6M108.4°109.8°
C5C6C7112.7°107.7°
C5C6H6108.6°109.8°
C6MC6C7111.0°109.8°
C6MC6H6110.4°109.9°
C6C6MH6M109.5°109.4°
C6C6MH6MA109.4°109.5°
C6C6MH6MB109.4°109.5°
C7C6H6105.8°109.9°
C6C7C8112.4°108.3°
C6C7H7108.5°109.7°
C6C7H7A107.9°109.7°
H6MC6MH6MA109.5°109.4°
H6MC6MH6MB109.4°109.5°
H6MAC6MH6MB109.5°109.5°
C8C7H7108.5°109.7°
C8C7H7A107.8°109.7°
C7C8O8110.2°109.0°
C7C8H8108.8°109.0°
H7C7H7A111.8°109.8°
O8C8H8108.5°108.9°
C8O8HO8109.5°114.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O16C15O15C14179.5°179.7°
O16C15C14C13107.9°0.0°
O16C15C14H14132.1°120.0°
O16C15C14H14A11.5°120.0°
O16C15O15H300.0°0.0°
O15C15C14C1372.6°179.7°
O15C15C14H1447.4°60.3°
O15C15C14H14A168.0°59.7°
C15C14C13H14120.0°120.0°
C15C14C13H14A119.4°119.9°
C15C14H14H14A119.4°119.9°
C15C14C13O1344.1°65.0°
C15C14C13C12164.5°175.0°
C15C14C13H1375.3°55.0°
C14C15O15H30179.6°179.8°
C13C14H14H14A119.4°120.0°
C14C13O13C12120.7°120.0°
C14C13O13H13119.1°120.0°
C14C13C12H13119.1°120.0°
C14C13O13HO1369.8°60.0°
C14C13C12C11144.7°175.0°
C14C13C12H1224.7°55.0°
C14C13C12H12A97.0°65.1°
H14C14C13O13164.1°175.0°
H14C14C13C1275.5°55.0°
H14C14C13H1344.7°65.0°
H14AC14C13O1375.3°54.9°
H14AC14C13C1245.2°65.1°
H14AC14C13H13165.3°175.0°
O13C13C12H13119.4°120.0°
O13C13C12C1193.8°65.0°
O13C13C12H12146.2°175.0°
O13C13C12H12A24.5°54.9°
C12C13O13HO1350.9°60.0°
C13C12C11H12120.0°120.1°
C13C12C11H12A118.3°119.9°
C13C12H12H12A118.5°120.0°
C13C12C11O11120.7°64.9°
C13C12C11C10119.7°175.0°
C13C12C11H110.5°55.1°
H13C13O13HO13171.1°180.0°
H13C13C12C1125.6°55.1°
H13C13C12H1294.4°65.0°
H13C13C12H12A143.9°175.0°
C11C12H12H12A118.4°119.9°
C12C11O11C10121.6°120.1°
C12C11O11H11119.2°120.0°
C12C11C10H11119.2°119.9°
C12C11O11HO11154.1°60.0°
C12C11C10C976.2°175.0°
C12C11C10H1043.9°54.9°
C12C11C10H10A165.9°65.0°
H12C12C11O11119.4°175.0°
H12C12C11C100.2°54.9°
H12C12C11H11119.5°65.0°
H12AC12C11O112.3°55.0°
H12AC12C11C10121.9°65.1°
H12AC12C11H11118.8°175.0°
O11C11C10H11121.2°120.0°
O11C11C10C9164.2°65.0°
O11C11C10H1075.8°175.0°
O11C11C10H10A46.2°55.0°
C10C11O11HO1184.3°60.0°
C11C10C9H10120.0°120.0°
C11C10C9H10A118.0°120.0°
C11C10H10H10A118.1°119.9°
C11C10C9C1101.8°180.0°
C11C10C9H9138.2°60.0°
C11C10C9H9A13.7°60.0°
H11C11O11HO1134.9°180.0°
H11C11C10C943.0°55.0°
H11C11C10H10163.0°65.0°
H11C11C10H10A74.9°175.0°
C9C10H10H10A118.1°120.1°
C10C9C1H9120.0°120.0°
C10C9C1H9A115.5°120.0°
C10C9H9H9A116.1°120.0°
C10C9C1C8A150.7°160.7°
C10C9C1C226.1°41.5°
C10C9C1H190.7°79.1°
H10C10C9C118.2°60.0°
H10C10C9H9101.8°180.0°
H10C10C9H9A133.7°60.0°
H10AC10C9C1140.2°60.0°
H10AC10C9H920.2°60.0°
H10AC10C9H9A104.3°180.0°
C1C9H9H9A116.1°120.1°
C9C1C8AC2126.6°119.8°
C9C1C8AH1116.3°120.3°
C9C1C2H1116.1°120.4°
C9C1C8AC4A178.1°178.0°
C9C1C8AC859.1°50.9°
C9C1C8AH8A58.5°66.2°
C9C1C2C2M56.9°49.1°
C9C1C2C3178.8°169.7°
C9C1C2H262.7°69.8°
H9C9C1C8A30.7°40.7°
H9C9C1C294.0°78.5°
H9C9C1H1149.3°161.0°
H9AC9C1C8A93.8°79.4°
H9AC9C1C2141.5°161.4°
H9AC9C1H124.8°40.9°
C8AC1C2H1118.7°119.8°
C1C8AC4AC8125.6°125.6°
C1C8AC4AH8A116.5°115.8°
C1C8AC8H8A116.3°117.4°
C8AC1C2C2M68.3°70.6°
C8AC1C2C353.6°50.0°
C8AC1C2H2172.1°170.4°
C1C8AC4AC425.6°44.9°
C1C8AC4AC5153.9°132.7°
C1C8AC8C7179.8°99.1°
C1C8AC8O857.6°21.5°
C1C8AC8H861.2°140.3°
C2C1C8AC4A51.5°62.2°
C2C1C8AC8174.4°170.6°
C2C1C8AH8A68.1°53.6°
C1C2C2MC3123.6°122.2°
C1C2C2MH2117.8°118.9°
C1C2C3H2117.7°120.5°
C1C2C2MH2M3.9°60.0°
C1C2C2MH2MA123.9°180.0°
C1C2C2MH2MB116.1°60.0°
C1C2C3C428.8°19.6°
C1C2C3H3151.2°160.3°
H1C1C8AC4A65.6°57.7°
H1C1C8AC857.3°69.4°
H1C1C8AH8A174.8°173.6°
H1C1C2C2M173.0°169.5°
H1C1C2C365.1°69.9°
H1C1C2H253.4°50.6°
C4AC8AC8H8A119.8°119.0°
C8AC4AC4C30.5°14.2°
C8AC4AC4C5179.6°177.8°
C8AC4AC4H4179.6°165.7°
C8AC4AC5C62.5°2.6°
C8AC4AC5H5177.4°177.5°
C4AC8AC8C755.9°24.4°
C4AC8AC8O866.3°145.1°
C4AC8AC8H8174.9°96.2°
C8C8AC4AC4151.2°170.5°
C8C8AC4AC528.4°7.1°
C8AC8C7C660.2°58.8°
C8AC8C7O8122.4°120.7°
C8AC8C7H8118.7°120.6°
C8AC8C7H7179.8°60.9°
C8AC8C7H7A58.6°178.5°
C8AC8O8H8118.7°118.8°
C8AC8O8HO82.5°180.0°
H8AC8AC4AC490.9°70.8°
H8AC8AC4AC589.5°111.5°
H8AC8AC8C763.9°143.5°
H8AC8AC8O8173.9°95.9°
H8AC8AC8H855.1°22.9°
C2MC2C3H2119.7°118.9°
C2C2MH2MH2MA120.0°120.0°
C2C2MH2MH2MB120.0°120.0°
C2C2MH2MAH2MB120.0°120.1°
C2MC2C3C493.9°100.9°
C2MC2C3H386.2°79.2°
C3C2C2MH2M119.7°62.1°
C3C2C2MH2MA0.3°57.8°
C3C2C2MH2MB120.3°177.9°
C2C3C4H3180.0°179.9°
C2C3C4C4A0.9°0.7°
C2C3C4H4179.1°179.3°
H2C2C2MH2M121.7°179.0°
H2C2C2MH2MA118.3°61.1°
H2C2C2MH2MB1.7°59.0°
H2C2C3C4146.5°140.1°
H2C2C3H333.5°39.8°
H2MC2MH2MAH2MB119.9°120.0°
C3C4C4AH4180.0°180.0°
C3C4C4AC5180.0°163.5°
H3C3C4C4A179.1°179.2°
H3C3C4H41.0°0.8°
C4C4AC5C6177.0°175.0°
C4C4AC5H53.0°4.9°
H4C4C4AC50.0°16.5°
C4AC5C6H5180.0°179.9°
C4AC5C6C6M119.0°151.7°
C4AC5C6C74.3°32.2°
C4AC5C6H6121.1°87.5°
C5C6C6MC7124.2°118.3°
C5C6C6MH6118.8°120.8°
C5C6C7H6118.5°119.6°
C5C6C6MH6M12.2°60.1°
C5C6C6MH6MA132.2°180.0°
C5C6C6MH6MB107.7°59.9°
C5C6C7C832.7°61.5°
C5C6C7H7152.7°58.2°
C5C6C7H7A86.0°178.8°
H5C5C6C6M61.0°28.3°
H5C5C6C7175.7°147.8°
H5C5C6H658.9°92.6°
C6MC6C7H6119.8°120.9°
C6C6MH6MH6MA120.0°120.0°
C6C6MH6MH6MB120.0°120.0°
C6C6MH6MAH6MB120.0°120.1°
C6MC6C7C889.0°179.0°
C6MC6C7H730.9°61.3°
C6MC6C7H7A152.2°59.3°
C7C6C6MH6M136.4°178.3°
C7C6C6MH6MA103.5°61.8°
C7C6C6MH6MB16.5°58.3°
C6C7C8H7120.0°119.7°
C6C7C8H7A118.7°119.7°
C6C7H7H7A118.8°120.6°
C6C7C8O862.2°179.5°
C6C7C8H8178.9°61.8°
H6C6C6MH6M106.5°60.8°
H6C6C6MH6MA13.5°59.1°
H6C6C6MH6MB133.5°179.2°
H6C6C7C8151.2°58.1°
H6C6C7H788.8°177.8°
H6C6C7H7A32.5°61.6°
H6MC6MH6MAH6MB120.0°120.0°
C8C7H7H7A118.8°120.6°
C7C8O8H8119.0°118.7°
C7C8O8HO8119.7°57.6°
H7C7C8O857.8°59.8°
H7C7C8H861.1°178.5°
H7AC7C8O8179.0°60.8°
H7AC7C8H860.2°57.9°
H8C8O8HO8121.2°61.2°

222415

PDB entries from 2024-07-10

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