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YWR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C22O7sing1.42Å1.42Å
O7C18sing1.38Å1.38Å
C19C18doub1.38Å1.38ÅAromatic
C19C20sing1.42Å1.42ÅAromatic
C18C17sing1.38Å1.38ÅAromatic
C20C15doub1.39Å1.39ÅAromatic
C17C16doub1.37Å1.37ÅAromatic
C15C16sing1.40Å1.40ÅAromatic
C15N2sing1.42Å1.42Å
C10C9doub1.38Å1.38ÅAromatic
C10C11sing1.37Å1.37ÅAromatic
C9C8sing1.35Å1.35ÅAromatic
O8C11sing1.43Å1.43Å
O8C23sing1.37Å1.37Å
C7N2sing1.32Å1.32Å
C7N1sing1.31Å1.31Å
C11C12doub1.39Å1.39ÅAromatic
O9C1doub1.48Å1.48Å
N2RU2sing2.02Å2.02Å
C8N1sing1.45Å1.45Å
C8C13doub1.43Å1.43ÅAromatic
O2C1sing1.26Å1.26Å
O2RU2sing2.08Å2.08Å
C1O1sing1.26Å1.26Å
N1RU1sing2.04Å2.04Å
C12C13sing1.36Å1.36ÅAromatic
O1RU1sing2.05Å2.05Å
RU2RU1sing2.27Å2.27Å
RU2O6sing2.05Å2.05Å
RU2O4sing2.04Å2.04Å
RU1O5sing2.03Å2.03Å
RU1O3sing2.08Å2.08Å
O6C5sing1.28Å1.28Å
O4C3sing1.28Å1.28Å
O5C5sing1.26Å1.26Å
C5O11doub1.51Å1.51Å
O3C3sing1.25Å1.25Å
C3O10doub1.50Å1.50Å
C7H1sing1.10Å1.10Å
C7H2sing1.10Å1.10Å
C23H3sing1.10Å1.10Å
C23H4sing1.10Å1.10Å
C23H5sing1.10Å1.10Å
C20H6sing1.08Å1.08Å
C9H7sing1.08Å1.08Å
C10H8sing1.08Å1.08Å
C13H9sing1.08Å1.08Å
C16H10sing1.08Å1.08Å
C17H11sing1.08Å1.08Å
C22H12sing1.10Å1.10Å
C22H13sing1.10Å1.10Å
C22H14sing1.10Å1.10Å
C12H15sing1.08Å1.08Å
C19H16sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C22O7C18117.1°117.1°
O7C22H12109.5°109.5°
O7C22H13109.5°109.5°
O7C22H14109.5°109.5°
O7C18C19121.6°121.6°
O7C18C17119.1°119.1°
C18C19C20118.3°118.3°
C19C18C17119.3°119.3°
C18C19H16120.9°120.9°
C19C20C15121.7°121.7°
C19C20H6119.1°119.1°
C20C19H16120.9°120.9°
C18C17C16122.6°122.6°
C18C17H11118.7°118.7°
C20C15C16118.2°118.2°
C20C15N2121.6°121.6°
C15C20H6119.2°119.2°
C17C16C15119.7°119.7°
C17C16H10120.2°120.2°
C16C17H11118.7°118.7°
C16C15N2120.2°120.2°
C15C16H10120.2°120.2°
C15N2C7123.4°123.4°
C15N2RU2115.9°115.9°
C9C10C11115.7°115.7°
C10C9C8119.2°119.2°
C10C9H7120.4°120.4°
C9C10H8122.1°122.1°
C10C11O8112.5°112.5°
C10C11C12127.0°127.0°
C11C10H8122.1°122.1°
C9C8N1122.1°122.1°
C9C8C13123.0°123.0°
C8C9H7120.4°120.4°
C11O8C23117.0°117.0°
O8C11C12118.6°118.6°
O8C23H3109.5°109.5°
O8C23H4109.5°109.5°
O8C23H5109.5°109.5°
N2C7N1121.7°121.7°
C7N2RU2119.8°119.8°
N2C7H1106.3°106.3°
N2C7H2106.3°106.3°
C7N1C8114.2°114.2°
C7N1RU1117.3°117.3°
N1C7H1106.4°106.4°
N1C7H2106.3°106.3°
C11C12C13115.4°115.4°
C11C12H15122.3°122.3°
O9C1O2120.1°120.1°
O9C1O1113.0°113.0°
N2RU2O290.3°90.3°
N2RU2RU189.6°89.6°
N2RU2O692.7°92.7°
N2RU2O4178.7°178.7°
N1C8C13114.9°114.9°
C8N1RU1126.2°126.2°
C8C13C12118.4°118.4°
C8C13H9120.8°120.8°
C1O2RU2119.0°119.0°
O2C1O1126.7°126.7°
O2RU2RU186.9°86.9°
O2RU2O6175.3°175.3°
O2RU2O490.9°90.9°
C1O1RU1114.9°114.9°
N1RU1O189.7°89.7°
N1RU1RU291.0°91.0°
N1RU1O591.1°91.1°
N1RU1O3178.7°178.7°
C12C13H9120.8°120.8°
C13C12H15122.3°122.3°
O1RU1RU292.4°92.4°
O1RU1O5178.2°178.2°
O1RU1O389.0°89.0°
RU1RU2O689.5°89.5°
RU1RU2O490.0°90.0°
RU2RU1O589.3°89.3°
RU2RU1O388.8°88.8°
O6RU2O486.0°86.0°
RU2O6C5117.6°117.6°
RU2O4C3118.4°118.4°
O5RU1O390.2°90.2°
RU1O5C5119.4°119.4°
RU1O3C3118.4°118.4°
O6C5O5122.8°122.8°
O6C5O11116.2°116.2°
O4C3O3124.1°124.1°
O4C3O10111.4°111.4°
O5C5O11121.0°121.0°
O3C3O10124.4°124.4°
H1C7H2109.5°109.5°
H3C23H4109.5°109.5°
H3C23H5109.4°109.4°
H4C23H5109.5°109.5°
H12C22H13109.5°109.4°
H12C22H14109.4°109.4°
H13C22H14109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C22O7C18C196.8°6.8°
C22O7C18C17176.1°176.1°
O7C22H12H13120.0°120.0°
O7C22H12H14120.0°120.0°
O7C22H13H14120.0°120.0°
O7C18C19C17177.1°177.1°
O7C18C19C20177.7°177.7°
O7C18C17C16178.4°178.4°
O7C18C17H111.6°1.6°
C18O7C22H12180.0°180.0°
C18O7C22H1360.0°60.0°
C18O7C22H1460.0°60.0°
O7C18C19H162.3°2.3°
C18C19C20H16180.0°180.0°
C18C19C20C154.0°4.0°
C19C18C17C164.4°4.4°
C18C19C20H6176.0°176.0°
C19C18C17H11175.5°175.5°
C20C19C18C175.2°5.2°
C19C20C15H6180.0°180.0°
C19C20C15C161.7°1.7°
C19C20C15N2179.9°179.9°
C18C17C16H11180.0°180.0°
C18C17C16C152.1°2.1°
C18C17C16H10177.9°177.9°
C17C18C19H16174.8°174.8°
C20C15C16C170.7°0.7°
C20C15C16N2178.2°178.2°
C20C15N2C769.3°69.3°
C20C15N2RU299.8°99.8°
C20C15C16H10179.3°179.3°
C15C20C19H16176.0°176.0°
C17C16C15H10180.0°180.0°
C17C16C15N2178.9°178.9°
C16C15N2C7112.6°112.6°
C16C15N2RU278.3°78.3°
C16C15C20H6178.3°178.3°
C15C16C17H11177.9°177.9°
C15N2C7RU2168.7°168.7°
C15N2C7N1176.3°176.3°
C15N2RU2O284.7°84.7°
C15N2RU2RU1171.7°171.7°
C15N2RU2O698.9°98.9°
C15N2RU2O4113.8°113.8°
C15N2C7H154.6°54.6°
C15N2C7H262.0°62.0°
N2C15C20H60.2°0.2°
N2C15C16H101.1°1.1°
C9C10C11H8180.0°180.0°
C10C9C8H7180.0°180.0°
C9C10C11O8177.7°177.7°
C9C10C11C1213.7°13.7°
C10C9C8N1178.3°178.3°
C10C9C8C131.7°1.7°
C11C10C9C87.8°7.8°
C10C11O8C12165.4°165.4°
C10C11O8C23164.1°164.1°
C10C11C12C1312.0°12.0°
C11C10C9H7172.2°172.2°
C10C11C12H15168.0°168.0°
C9C8N1C745.1°45.1°
C9C8N1C13179.9°179.9°
C9C8N1RU1117.2°117.2°
C9C8C13C120.1°0.1°
C8C9C10H8172.2°172.2°
C9C8C13H9179.9°179.9°
O8C11C12C13175.1°175.1°
C11O8C23H3180.0°180.0°
C11O8C23H460.0°60.0°
C11O8C23H560.0°60.0°
O8C11C10H82.3°2.3°
O8C11C12H154.9°4.9°
C23O8C11C121.3°1.3°
O8C23H3H4120.0°120.0°
O8C23H3H5120.0°120.0°
O8C23H4H5120.0°120.0°
N2C7N1H1121.7°121.7°
N2C7N1H2121.7°121.7°
N2C7N1C8173.4°173.4°
C7N2RU2O284.8°84.8°
N2C7N1RU19.4°9.4°
C7N2RU2RU12.1°2.1°
C7N2RU2O691.6°91.6°
C7N2RU2O476.6°76.6°
N2C7H1H2114.5°114.5°
N1C7N2RU27.6°7.6°
C7N1C8RU1162.3°162.3°
C7N1C8C13135.0°135.0°
C7N1RU1O186.2°86.2°
C7N1RU1RU26.2°6.2°
C7N1RU1O595.4°95.4°
C7N1RU1O373.1°73.1°
N1C7H1H2114.5°114.5°
C11C12C13C84.4°4.4°
C11C12C13H15180.0°180.0°
C12C11C10H8166.2°166.2°
C11C12C13H9175.6°175.6°
O9C1O2O1174.6°174.6°
O9C1O2RU2179.3°179.3°
O9C1O1RU1176.8°176.8°
N2RU2O2C185.3°85.3°
N2RU2O2RU189.6°89.6°
N2RU2O2O6130.1°130.1°
N2RU2O2O4179.6°179.6°
N2RU2RU1N11.8°1.8°
N2RU2RU1O187.9°87.9°
N2RU2RU1O692.7°92.7°
N2RU2RU1O4178.7°178.7°
N2RU2O6O4179.7°179.7°
N2RU2RU1O592.9°92.9°
N2RU2RU1O3176.9°176.9°
N2RU2O6C596.6°96.6°
N2RU2O4C378.3°78.3°
RU2N2C7H1114.1°114.1°
RU2N2C7H2129.3°129.3°
N1C8C13C12180.0°180.0°
C8N1RU1O175.6°75.6°
C8N1RU1RU2167.9°167.9°
C8N1RU1O5102.8°102.8°
C8N1RU1O388.7°88.7°
C8N1C7H151.6°51.6°
C8N1C7H265.0°65.0°
N1C8C9H71.8°1.8°
N1C8C13H90.0°0.0°
C13C8N1RU162.7°62.7°
C8C13C12H9180.0°180.0°
C13C8C9H7178.3°178.3°
C8C13C12H15175.7°175.7°
O2C1O1RU11.9°1.9°
C1O2RU2RU14.3°4.3°
C1O2RU2O644.8°44.8°
C1O2RU2O494.3°94.3°
RU2O2C1O14.8°4.8°
O2RU2RU1N192.1°92.1°
O2RU2RU1O12.4°2.4°
O2RU2RU1O6176.9°176.9°
O2RU2RU1O490.9°90.9°
O2RU2O6O449.6°49.6°
O2RU2RU1O5176.8°176.8°
O2RU2RU1O386.6°86.6°
O2RU2O6C533.5°33.5°
O2RU2O4C383.2°83.2°
C1O1RU1N192.3°92.3°
C1O1RU1RU21.4°1.4°
C1O1RU1O5151.8°151.8°
C1O1RU1O387.4°87.4°
N1RU1O1RU291.0°91.0°
N1RU1O1O5115.8°115.8°
N1RU1O1O3179.7°179.7°
N1RU1RU2O591.1°91.1°
N1RU1RU2O3178.7°178.7°
N1RU1RU2O690.9°90.9°
N1RU1RU2O4176.9°176.9°
N1RU1O5O3179.7°179.7°
N1RU1O5C597.8°97.8°
N1RU1O3C385.9°85.9°
RU1N1C7H1112.3°112.3°
RU1N1C7H2131.1°131.1°
O1RU1RU2O5179.2°179.2°
O1RU1RU2O389.0°89.0°
O1RU1RU2O6179.3°179.3°
O1RU1RU2O493.3°93.3°
O1RU1O5O364.4°64.4°
O1RU1O5C5146.4°146.4°
O1RU1O3C399.0°99.0°
RU1RU2O6O490.0°90.0°
RU2RU1O5O388.7°88.7°
RU1RU2O6C56.9°6.9°
RU1RU2O4C33.8°3.8°
RU2RU1O5C56.8°6.8°
RU2RU1O3C36.7°6.7°
O6RU2RU1O50.2°0.2°
O6RU2RU1O390.4°90.4°
O6RU2O4C393.2°93.2°
RU2O6C5O514.4°14.4°
RU2O6C5O11162.3°162.3°
O4RU2RU1O585.8°85.8°
O4RU2RU1O34.3°4.3°
O4RU2O6C583.1°83.1°
RU2O4C3O30.6°0.6°
RU2O4C3O10175.7°175.7°
RU1O5C5O614.4°14.4°
RU1O5C5O11162.1°162.1°
O5RU1O3C382.6°82.6°
RU1O3C3O45.7°5.7°
O3RU1O5C582.0°82.0°
RU1O3C3O10170.2°170.2°
O6C5O5O11176.5°176.5°
O4C3O3O10175.9°175.9°
H3C23H4H5120.0°120.0°
H6C20C19H164.0°4.0°
H7C9C10H87.8°7.8°
H9C13C12H154.4°4.4°
H10C16C17H112.1°2.1°
H12C22H13H14120.0°119.9°

222415

PDB entries from 2024-07-10

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