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YMQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C3sing1.53Å1.49Å
O3C3sing1.44Å1.24Å
O3RU1sing1.82Å2.05Å
C3O4sing1.44Å1.26Å
C23O7sing1.43Å1.37Å
O1RU1sing1.82Å2.05Å
O1C1sing1.44Å1.27Å
RU1N1sing1.91Å2.04Å
RU1RU2sing2.56Å2.28Å
O7C11sing1.36Å1.43Å
C10C11doub1.39Å1.37ÅAromatic
C10C9sing1.38Å1.37ÅAromatic
O4RU2sing1.82Å2.05Å
C11C12sing1.39Å1.40ÅAromatic
C9C8doub1.39Å1.35ÅAromatic
C2C1sing1.53Å1.49Å
C1O2sing1.44Å1.27Å
C8C13sing1.39Å1.43ÅAromatic
C8N1sing1.40Å1.45Å
C12C13doub1.38Å1.37ÅAromatic
N1C7sing1.48Å1.30Å
O2RU2sing1.82Å2.05Å
RU2N2sing1.91Å2.04Å
C7N2sing1.48Å1.32Å
N2C15sing1.40Å1.40Å
C15C16doub1.39Å1.39ÅAromatic
C15C20sing1.39Å1.40ÅAromatic
C16C17sing1.38Å1.36ÅAromatic
C20C19doub1.38Å1.41ÅAromatic
C17C18doub1.39Å1.38ÅAromatic
C19C18sing1.39Å1.38ÅAromatic
C18O8sing1.36Å1.37Å
O8C22sing1.43Å1.42Å
C12H1sing1.08Å1.08Å
C22H2sing1.09Å1.10Å
C22H3sing1.09Å1.10Å
C22H4sing1.09Å1.10Å
C13H5sing1.08Å1.08Å
C23H6sing1.09Å1.10Å
C23H7sing1.09Å1.10Å
C23H8sing1.09Å1.10Å
C16H9sing1.08Å1.08Å
C17H10sing1.08Å1.08Å
C1H11sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C7H13sing1.09Å1.10Å
C3H14sing1.09Å1.10Å
C2H15sing1.09Å1.10Å
C2H16sing1.09Å1.10Å
C2H17sing1.09Å1.10Å
C20H18sing1.08Å1.08Å
C9H19sing1.08Å1.08Å
C10H20sing1.08Å1.08Å
C4H21sing1.09Å1.10Å
C4H22sing1.09Å1.10Å
C4H23sing1.09Å1.10Å
C19H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C3O3120.0°103.5°
C4C3O4116.0°103.5°
C4C3H1490.1°99.0°
C3C4H21109.5°109.5°
C3C4H22109.5°109.5°
C3C4H23109.5°109.5°
C3O3RU1120.0°108.5°
O3C3O4124.0°138.0°
O3C3H1490.1°103.5°
O3RU1O188.1°120.9°
O3RU1N1177.8°119.6°
O3RU1RU288.2°91.7°
C3O4RU2118.0°107.8°
O4C3H1490.1°103.4°
C23O7C11126.9°117.0°
O7C23H6109.5°109.4°
O7C23H7109.5°109.4°
O7C23H8109.5°109.4°
RU1O1C1118.8°107.9°
O1RU1N190.6°119.3°
O1RU1RU289.5°91.5°
O1C1C2115.8°103.5°
O1C1O2123.2°138.0°
O1C1H1190.7°103.5°
N1RU1RU290.0°92.1°
RU1N1C8127.6°111.0°
RU1N1C7119.4°107.9°
RU1RU2O489.8°91.5°
RU1RU2O289.2°91.7°
RU1RU2N289.6°92.3°
O7C11C10116.4°120.0°
O7C11C12126.0°120.0°
C11C10C9122.9°120.0°
C10C11C12117.2°120.0°
C11C10H20118.6°120.0°
C10C9C8120.4°120.0°
C10C9H19119.8°120.0°
C9C10H20118.6°120.0°
O4RU2O289.1°120.8°
O4RU2N2175.3°119.3°
C11C12C13121.0°120.0°
C11C12H1119.5°120.0°
C9C8C13118.9°119.9°
C9C8N1120.1°120.0°
C8C9H19119.8°120.0°
C2C1O2121.0°103.4°
C2C1H1190.6°99.0°
C1C2H15109.5°109.5°
C1C2H16109.5°109.5°
C1C2H17109.5°109.4°
C1O2RU2119.0°108.5°
O2C1H1190.7°103.4°
C13C8N1120.8°120.0°
C8C13C12119.5°120.0°
C8C13H5120.3°120.0°
C8N1C7112.6°110.9°
C13C12H1119.5°119.9°
C12C13H5120.3°120.0°
N1C7N2120.5°136.4°
N1C7H12106.7°103.8°
N1C7H13106.6°103.9°
O2RU2N295.6°119.6°
RU2N2C7119.5°108.5°
RU2N2C15126.0°111.0°
C7N2C15114.1°111.0°
N2C7H12106.6°103.7°
N2C7H13106.7°103.8°
N2C15C16118.5°120.0°
N2C15C20119.4°120.0°
C16C15C20122.0°120.0°
C15C16C17118.8°120.0°
C15C16H9120.6°120.0°
C15C20C19117.7°120.0°
C15C20H18121.1°120.0°
C16C17C18120.6°120.0°
C17C16H9120.6°120.0°
C16C17H10119.7°120.0°
C20C19C18119.3°120.0°
C19C20H18121.1°120.0°
C20C19H24120.4°120.0°
C17C18C19121.4°120.0°
C17C18O8125.1°120.0°
C18C17H10119.7°120.0°
C19C18O8113.5°119.9°
C18C19H24120.4°120.0°
C18O8C22126.3°117.0°
O8C22H2109.5°109.5°
O8C22H3109.5°109.5°
O8C22H4109.5°109.5°
H2C22H3109.4°109.5°
H2C22H4109.4°109.4°
H3C22H4109.5°109.4°
H6C23H7109.5°109.5°
H6C23H8109.4°109.5°
H7C23H8109.5°109.6°
H12C7H13109.4°100.0°
H15C2H16109.4°109.5°
H15C2H17109.5°109.5°
H16C2H17109.5°109.5°
H21C4H22109.4°109.5°
H21C4H23109.5°109.5°
H22C4H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C3O3O4179.6°128.6°
C4C3O3H1490.2°102.9°
C4C3O3RU1175.8°132.4°
C4C3O4H1490.2°102.8°
C4C3O4RU2176.9°144.5°
C3C4H21H22120.0°120.0°
C3C4H21H23120.0°120.0°
C3C4H22H23120.0°120.0°
O3C3O4H1490.2°128.5°
C3O3RU1O187.0°85.9°
C3O3RU1N133.1°100.2°
C3O3RU1RU22.5°6.8°
O3C3O4RU22.7°15.8°
O3C3C4H21180.0°60.0°
O3C3C4H2260.0°180.0°
O3C3C4H2360.0°60.0°
RU1O3C3O43.7°3.7°
O3RU1O1N1178.2°173.9°
O3RU1O1RU288.2°92.8°
O3RU1O1C193.2°106.5°
O3RU1N1RU235.6°93.1°
O3RU1RU2O40.8°12.1°
O3RU1N1C8142.2°43.2°
O3RU1N1C744.5°78.6°
O3RU1RU2O289.9°133.0°
O3RU1RU2N2174.5°107.3°
RU1O3C3H1493.9°124.7°
C3O4RU2RU10.5°13.7°
C3O4RU2O288.7°106.6°
C3O4RU2N284.1°79.8°
O4C3C4H210.4°152.5°
O4C3C4H22119.6°32.5°
O4C3C4H23120.4°87.5°
C23O7C11C10135.4°180.0°
C23O7C11C1251.8°0.5°
O7C23H6H7120.0°119.9°
O7C23H6H8120.0°119.9°
O7C23H7H8120.0°120.0°
O1RU1N1RU289.5°92.9°
O1RU1RU2O487.3°108.8°
RU1O1C1C2175.3°144.5°
RU1O1C1O27.1°15.9°
O1RU1N1C888.3°130.8°
O1RU1N1C798.5°107.4°
O1RU1RU2O21.8°12.0°
O1RU1RU2N297.4°131.7°
RU1O1C1H1184.2°112.7°
C1O1RU1N185.0°79.6°
C1O1RU1RU25.0°13.7°
O1C1C2O2177.6°147.5°
O1C1C2H1191.1°106.3°
O1C1O2H1191.4°128.6°
O1C1O2RU25.1°3.8°
O1C1C2H15180.0°60.0°
O1C1C2H1660.0°180.0°
O1C1C2H1760.0°60.0°
N1RU1RU2O4177.9°131.8°
RU1N1C8C972.7°175.0°
RU1N1C8C13112.6°5.0°
RU1N1C8C7173.6°120.0°
N1RU1RU2O288.8°107.3°
N1RU1RU2N26.8°12.4°
RU1N1C7N25.7°16.2°
RU1N1C7H12115.8°144.0°
RU1N1C7H13127.3°111.8°
RU1RU2O4O289.2°92.8°
RU1RU2O4N283.6°93.5°
RU1RU2O2C10.8°6.7°
RU2RU1N1C8177.8°136.3°
RU2RU1N1C79.0°14.5°
RU1RU2O2N289.6°93.7°
RU1RU2N2C77.1°7.1°
RU1RU2N2C15179.7°129.4°
O7C11C10C12173.4°179.5°
O7C11C10C9178.7°180.0°
O7C11C12C13177.2°179.5°
O7C11C12H12.8°0.3°
C11O7C23H6180.0°60.0°
C11O7C23H760.0°60.0°
C11O7C23H860.0°179.9°
O7C11C10H201.3°0.5°
C11C10C9H20180.0°179.5°
C11C10C9C81.9°0.8°
C10C11C12C134.5°0.0°
C10C11C12H1175.5°179.8°
C11C10C9H19178.1°179.8°
C9C10C11C125.3°0.5°
C10C9C8H19180.0°179.4°
C10C9C8C132.3°0.6°
C10C9C8N1177.1°179.5°
O4RU2O2C190.6°86.0°
O4RU2O2N2179.4°173.6°
O4RU2N2C790.7°100.2°
O4RU2N2C1596.8°137.6°
RU2O4C3H1492.9°112.7°
C11C12C13C80.6°0.2°
C11C12C13H1180.0°179.7°
C11C12C13H5179.5°179.7°
C12C11C10H20174.7°180.0°
C9C8C13N1174.7°179.9°
C9C8C13C122.9°0.1°
C9C8N1C7113.6°55.1°
C9C8C13H5177.0°179.9°
C8C9C10H20178.1°179.7°
C2C1O2H1191.2°102.9°
C2C1O2RU2177.5°132.4°
C1C2H15H16120.0°120.0°
C1C2H15H17120.0°119.9°
C1C2H16H17120.0°119.9°
C1O2RU2N288.8°100.4°
O2C1C2H152.4°87.5°
O2C1C2H16122.4°32.5°
O2C1C2H17117.6°152.5°
C8C13C12H5180.0°180.0°
C13C8N1C761.1°125.0°
C8C13C12H1179.4°180.0°
C13C8C9H19177.7°180.0°
N1C8C13C12177.7°180.0°
C8N1C7N2180.0°137.9°
N1C8C13H52.3°0.0°
C8N1C7H1258.4°94.3°
C8N1C7H1358.5°9.9°
N1C8C9H192.9°0.0°
N1C7N2RU22.1°4.0°
N1C7N2H12121.6°127.8°
N1C7N2H13121.6°128.0°
N1C7N2C15175.5°118.3°
N1C7H12H13115.0°107.1°
O2RU2N2C782.0°86.1°
O2RU2N2C1590.5°36.1°
RU2O2C1H1186.3°124.7°
RU2N2C7C15173.4°122.3°
RU2N2C15C1656.6°175.0°
RU2N2C15C20123.7°5.2°
RU2N2C7H12123.6°131.8°
RU2N2C7H13119.5°124.0°
C7N2C15C16130.5°54.2°
C7N2C15C2049.2°126.0°
N2C7H12H13115.0°107.0°
N2C15C16C20179.7°179.8°
N2C15C16C17178.4°179.7°
N2C15C20C19178.8°179.8°
N2C15C16H91.6°0.2°
C15N2C7H1263.0°9.6°
C15N2C7H1353.9°113.7°
N2C15C20H181.2°0.3°
C15C16C17H9180.0°180.0°
C16C15C20C190.9°0.0°
C15C16C17C182.7°0.0°
C15C16C17H10177.3°180.0°
C16C15C20H18179.1°179.9°
C20C15C16C171.9°0.0°
C15C20C19H18180.0°180.0°
C15C20C19C183.0°0.0°
C20C15C16H9178.1°180.0°
C15C20C19H24177.0°180.0°
C16C17C18H10180.0°180.0°
C16C17C18C190.7°0.0°
C16C17C18O8179.8°179.9°
C20C19C18C172.2°0.0°
C20C19C18H24180.0°180.0°
C20C19C18O8177.4°179.9°
C17C18C19O8179.6°179.9°
C17C18O8C2223.8°180.0°
C18C17C16H9177.3°180.0°
C17C18C19H24177.7°180.0°
C19C18O8C22156.7°0.1°
C19C18C17H10179.3°180.0°
C18C19C20H18177.1°180.0°
C18O8C22H2180.0°60.0°
C18O8C22H360.0°60.0°
C18O8C22H460.0°180.0°
O8C18C17H100.2°0.1°
O8C18C19H242.7°0.1°
O8C22H2H3120.0°120.0°
O8C22H2H4120.0°120.0°
O8C22H3H4120.0°120.0°
H1C12C13H50.5°0.0°
H2C22H3H4120.0°119.9°
H6C23H7H8120.0°120.1°
H9C16C17H102.7°0.0°
H11C1C2H1588.9°166.3°
H11C1C2H1631.1°73.7°
H11C1C2H17151.1°46.3°
H14C3C4H2189.8°46.3°
H14C3C4H22150.2°73.7°
H14C3C4H2330.2°166.3°
H15C2H16H17120.0°120.0°
H18C20C19H243.0°0.1°
H19C9C10H201.9°0.3°
H21C4H22H23120.0°120.0°

227344

PDB entries from 2024-11-13

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