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YEQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C20doub1.39Å1.37ÅAromatic
C19C18sing1.39Å1.39ÅAromatic
C20N21sing1.32Å1.36ÅAromatic
C18N17doub1.32Å1.34ÅAromatic
N21C16doub1.32Å1.30ÅAromatic
N17C16sing1.32Å1.34ÅAromatic
C16C02sing1.51Å1.56Å
C02C01sing1.53Å1.58Å
C02N03sing1.47Å1.21Å
N03C04sing1.47Å1.44Å
N03C08sing1.47Å1.43Å
C04C05sing1.53Å1.58Å
C08C07sing1.53Å1.61Å
C07C09sing1.51Å1.58Å
C07C06sing1.53Å1.42Å
C10C09doub1.38Å1.42ÅAromatic
C10C11sing1.38Å1.34ÅAromatic
C05C06sing1.53Å1.45Å
C09C15sing1.38Å1.38ÅAromatic
C11C12doub1.39Å1.38ÅAromatic
C15C14doub1.38Å1.35ÅAromatic
C12C14sing1.39Å1.42ÅAromatic
C12O13sing1.36Å1.42Å
C10H1sing1.08Å1.08Å
C15H2sing1.08Å1.08Å
C20H3sing1.08Å1.08Å
C01H4sing1.09Å1.10Å
C01H5sing1.09Å1.10Å
C01H6sing1.09Å1.10Å
C02H7sing1.09Å1.10Å
C04H8sing1.09Å1.10Å
C04H9sing1.09Å1.10Å
C05H10sing1.09Å1.10Å
C05H11sing1.09Å1.10Å
C06H12sing1.09Å1.10Å
C06H13sing1.09Å1.10Å
C07H14sing1.09Å1.10Å
C08H15sing1.09Å1.10Å
C08H16sing1.09Å1.10Å
C11H17sing1.08Å1.08Å
C14H18sing1.08Å1.08Å
C18H19sing1.08Å1.08Å
C19H20sing1.08Å1.08Å
O13H22sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20C19C18119.1°118.4°
C19C20N21118.5°119.1°
C19C20H3120.8°120.5°
C20C19H20120.5°120.8°
C19C18N17118.9°119.1°
C19C18H19120.6°120.5°
C18C19H20120.4°120.7°
C20N21C16121.5°120.8°
N21C20H3120.7°120.5°
C18N17C16120.8°120.8°
N17C18H19120.5°120.4°
N21C16N17121.1°121.8°
N21C16C02115.9°119.1°
N17C16C02122.9°119.1°
C16C02C01105.1°109.4°
C16C02N03120.1°109.5°
C16C02H7105.0°109.5°
C01C02N03111.1°109.5°
C02C01H4109.5°109.5°
C02C01H5109.5°109.5°
C02C01H6109.4°109.5°
C01C02H7104.8°109.4°
C02N03C04118.5°111.0°
C02N03C08118.6°111.0°
N03C02H7109.5°109.5°
C04N03C08115.5°111.2°
N03C04C05113.6°109.5°
N03C04H8108.4°109.4°
N03C04H9108.4°109.4°
N03C08C07112.4°109.5°
N03C08H15108.7°109.5°
N03C08H16108.7°109.5°
C04C05C06114.7°109.2°
C05C04H8108.4°109.5°
C05C04H9108.4°109.5°
C04C05H10108.1°109.5°
C04C05H11108.2°109.5°
C08C07C09121.8°109.5°
C08C07C06112.3°109.2°
C08C07H14107.1°109.6°
C07C08H15108.7°109.4°
C07C08H16108.7°109.4°
C09C07C0698.3°109.5°
C07C09C10120.0°119.9°
C07C09C15119.8°120.0°
C09C07H14107.4°109.5°
C07C06C05112.2°109.2°
C07C06H12108.8°109.6°
C07C06H13108.8°109.5°
C06C07H14109.4°109.5°
C09C10C11120.1°120.0°
C10C09C15120.2°120.1°
C09C10H1119.9°120.0°
C10C11C12119.3°120.0°
C11C10H1119.9°120.0°
C10C11H17120.4°120.0°
C06C05H10108.2°109.5°
C06C05H11108.2°109.5°
C05C06H12108.8°109.6°
C05C06H13108.8°109.5°
C09C15C14119.8°120.1°
C09C15H2120.1°120.0°
C11C12C14120.9°119.9°
C11C12O13120.0°120.1°
C12C11H17120.4°120.0°
C15C14C12119.7°119.9°
C14C15H2120.1°119.9°
C15C14H18120.2°120.1°
C14C12O13119.1°120.0°
C12C14H18120.2°120.1°
C12O13H22109.5°114.0°
H4C01H5109.4°109.5°
H4C01H6109.5°109.4°
H5C01H6109.5°109.5°
H8C04H9109.5°109.4°
H10C05H11109.4°109.5°
H12C06H13109.5°109.5°
H15C08H16109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20C19C18H20180.0°180.0°
C19C20N21H3180.0°179.7°
C20C19C18N170.2°0.5°
C19C20N21C161.2°0.2°
C20C19C18H19179.8°179.7°
C18C19C20N210.2°0.0°
C19C18N17H19180.0°179.1°
C19C18N17C161.1°0.8°
C18C19C20H3179.8°179.7°
C20N21C16N172.1°0.1°
C20N21C16C02179.2°180.0°
N21C20C19H20179.8°180.0°
C18N17C16N212.1°0.6°
C18N17C16C02179.0°179.5°
N17C18C19H20179.8°179.5°
N21C16N17C02176.9°179.9°
N21C16C02C016.1°75.0°
N21C16C02N03119.8°44.9°
C16N21C20H3178.9°180.0°
N21C16C02H7116.5°165.0°
N17C16C02C01170.9°105.0°
N17C16C02N0363.1°135.0°
N17C16C02H760.6°15.0°
C16N17C18H19178.9°180.0°
C16C02C01N03131.4°120.0°
C16C02C01H7110.4°120.0°
C16C02N03H7121.5°120.1°
C16C02N03C0470.1°56.1°
C16C02N03C0878.5°179.7°
C16C02C01H4180.0°60.0°
C16C02C01H560.0°60.0°
C16C02C01H660.0°180.0°
C01C02N03H7115.4°120.0°
C01C02N03C0453.0°176.1°
C01C02N03C08158.4°59.8°
C02C01H4H5120.0°120.1°
C02C01H4H6120.0°120.0°
C02C01H5H6120.0°120.0°
C02N03C04C08149.6°124.1°
C02N03C04C05162.9°62.3°
C02N03C08C07156.0°62.3°
N03C02C01H448.6°180.0°
N03C02C01H5168.6°60.0°
N03C02C01H671.4°60.1°
C02N03C04H842.3°57.7°
C02N03C04H976.4°177.6°
C02N03C08H1535.6°177.7°
C02N03C08H1683.6°57.7°
N03C04C05H8120.6°120.0°
N03C04C05H9120.6°120.0°
C04N03C08C076.5°61.7°
N03C04C05C0638.4°59.2°
C04N03C02H7168.4°63.9°
N03C04H8H9118.1°119.9°
N03C04C05H1082.3°179.1°
N03C04C05H11159.2°60.7°
C04N03C08H15113.9°58.3°
C04N03C08H16126.9°178.3°
C08N03C04C0547.5°61.8°
N03C08C07H15120.4°120.0°
N03C08C07H16120.4°120.0°
N03C08C07C09163.6°179.1°
N03C08C07C0647.6°59.2°
C08N03C02H743.0°60.2°
C08N03C04H8168.1°178.2°
C08N03C04H973.1°58.3°
N03C08C07H1472.5°60.8°
N03C08H15H16118.7°120.0°
C04C05C06C0714.7°57.7°
C04C05C06H10120.8°119.9°
C04C05C06H11120.8°120.0°
C05C04H8H9118.1°120.1°
C04C05H10H11117.6°120.1°
C04C05C06H12135.1°62.3°
C04C05C06H13105.7°177.6°
C08C07C09C06122.8°119.8°
C08C07C09H14123.8°120.1°
C08C07C06H14118.7°120.0°
C08C07C09C1044.0°120.2°
C08C07C06C0556.4°57.7°
C08C07C09C15136.1°59.8°
C08C07C06H12176.8°62.3°
C08C07C06H1364.0°177.6°
C07C08H15H16118.7°119.9°
C09C07C06H14111.8°120.1°
C07C09C10C15179.9°180.0°
C07C09C10C11180.0°180.0°
C09C07C06C05174.1°177.6°
C07C09C15C14179.9°180.0°
C07C09C10H10.0°0.3°
C07C09C15H20.1°0.0°
C09C07C06H1253.7°57.6°
C09C07C06H1365.5°62.5°
C09C07C08H1576.0°59.1°
C09C07C08H1643.1°60.9°
C06C07C09C10166.7°120.0°
C07C06C05H12120.4°120.0°
C07C06C05H13120.4°119.9°
C06C07C09C1513.4°60.0°
C07C06C05H10135.5°177.6°
C07C06C05H11106.1°62.2°
C07C06H12H13118.8°120.2°
C06C07C08H15168.1°60.8°
C06C07C08H1672.8°179.2°
C09C10C11H1180.0°179.7°
C09C10C11C120.0°0.0°
C10C09C15C140.2°0.1°
C10C09C15H2179.8°180.0°
C10C09C07H1479.9°0.1°
C09C10C11H17179.9°179.9°
C11C10C09C150.1°0.0°
C10C11C12H17180.0°179.9°
C10C11C12C140.2°0.0°
C10C11C12O13179.8°180.0°
C06C05C04H8159.1°179.2°
C06C05C04H982.2°60.8°
C06C05H10H11117.6°120.1°
C05C06H12H13118.8°120.1°
C05C06C07H1462.3°62.3°
C09C15C14H2180.0°180.0°
C09C15C14C120.1°0.1°
C15C09C10H1179.8°179.7°
C15C09C07H14100.0°179.9°
C09C15C14H18179.9°180.0°
C11C12C14C150.1°0.1°
C11C12C14O13180.0°179.9°
C12C11C10H1180.0°179.7°
C11C12C14H18179.9°180.0°
C11C12O13H22180.0°90.0°
C15C14C12H18180.0°179.9°
C15C14C12O13179.8°180.0°
C12C14C15H2180.0°180.0°
C14C12C11H17179.8°179.9°
C14C12O13H220.1°90.1°
O13C12C11H170.2°0.1°
O13C12C14H180.2°0.1°
H1C10C11H170.1°0.2°
H2C15C14H180.0°0.1°
H3C20C19H200.2°0.3°
H4C01H5H6120.0°119.9°
H4C01C02H769.6°60.0°
H5C01C02H750.4°180.0°
H6C01C02H7170.4°60.0°
H8C04C05H1038.3°60.9°
H8C04C05H1180.1°59.2°
H9C04C05H10157.0°59.1°
H9C04C05H1138.6°179.2°
H10C05C06H12104.1°57.6°
H10C05C06H1315.1°62.4°
H11C05C06H1214.3°177.8°
H11C05C06H13133.5°57.7°
H12C06C07H1458.1°177.7°
H13C06C07H14177.3°57.6°
H14C07C08H1547.9°179.2°
H14C07C08H16167.1°59.2°
H19C18C19H200.2°0.3°

227344

PDB entries from 2024-11-13

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