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A1IUG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C2C3sing1.53Å1.53Å
C2O4sing1.43Å1.44Å
C2C5sing1.51Å1.52Å
C5N6doub1.29Å1.30ÅAromatic
N6C7sing1.32Å1.37ÅAromatic
C7C8doub1.34Å1.35ÅAromatic
C8S9sing1.76Å1.69ÅAromatic
C5S9sing1.71Å1.78ÅAromatic
S10C8sing1.76Å1.75Å
S10N11sing1.66Å1.58Å
S10O12doub1.42Å1.43Å
S10N13doub1.49Å1.52Å
N13C14sing1.33Å1.40Å
C14O15doub1.22Å1.24Å
C14N16sing1.35Å1.35Å
N16C17sing1.38Å1.42Å
C17C18doub1.40Å1.40ÅAromatic
C18C19sing1.51Å1.51Å
C19C20sing1.54Å1.53Å
C20C21sing1.54Å1.53Å
C21C22sing1.51Å1.50Å
C18C22sing1.38Å1.39ÅAromatic
C22C23doub1.39Å1.39ÅAromatic
C23C24sing1.39Å1.39ÅAromatic
C24C25doub1.38Å1.39ÅAromatic
C17C25sing1.40Å1.40ÅAromatic
C25C26sing1.51Å1.50Å
C26C27sing1.54Å1.53Å
C27C28sing1.54Å1.53Å
C24C28sing1.51Å1.50Å
C1H1Bsing1.09Å1.10Å
C1H1Asing1.09Å1.10Å
C1H1Csing1.09Å1.10Å
C3H3Bsing1.09Å1.10Å
C3H3Csing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C19H19Bsing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C20H20Bsing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C21H21Bsing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C23H23sing1.08Å1.08Å
C26H26Asing1.09Å1.10Å
C26H26Bsing1.09Å1.10Å
C27H27Asing1.09Å1.10Å
C27H27Bsing1.09Å1.10Å
C28H28Asing1.09Å1.10Å
C28H28Bsing1.09Å1.10Å
O4H4sing0.97Å0.95Å
C7H7sing1.08Å1.08Å
N11H11Bsing0.97Å1.00Å
N11H11Asing0.97Å1.00Å
N16H16sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3111.0°109.5°
C1C2O4108.6°109.5°
C1C2C5109.6°109.5°
C2C1H1B109.5°109.5°
C2C1H1A109.5°109.4°
C2C1H1C109.4°109.5°
C3C2O4108.8°109.5°
C3C2C5109.4°109.5°
C2C3H3B109.5°109.4°
C2C3H3C109.5°109.5°
C2C3H3A109.5°109.4°
O4C2C5109.4°109.5°
C2O4H4109.5°114.0°
C2C5N6124.9°124.9°
C2C5S9120.3°124.9°
C5N6C7110.2°117.2°
N6C5S9114.8°110.2°
N6C7C8114.9°114.4°
N6C7H7122.6°122.8°
C7C8S9113.0°108.0°
C7C8S10127.2°126.0°
C8C7H7122.5°122.7°
C8S9C587.2°90.3°
S9C8S10119.8°126.0°
C8S10N11108.7°109.5°
C8S10O12105.6°109.5°
C8S10N13104.3°109.5°
N11S10O12108.3°109.5°
N11S10N13111.8°109.5°
S10N11H11B109.5°120.0°
S10N11H11A109.5°120.0°
O12S10N13117.6°109.4°
S10N13C14120.8°120.0°
N13C14O15124.3°120.0°
N13C14N16112.0°120.0°
O15C14N16123.7°120.0°
C14N16C17128.8°120.0°
C14N16H16115.6°120.0°
N16C17C18120.9°119.9°
N16C17C25120.4°120.0°
C17N16H16115.6°120.0°
C17C18C19128.1°130.5°
C17C18C22120.4°119.7°
C18C17C25118.7°120.1°
C18C19C20103.5°105.2°
C19C18C22111.4°109.8°
C18C19H19B111.0°110.3°
C18C19H19A110.9°110.3°
C19C20C21106.9°102.3°
C20C19H19B111.0°110.3°
C20C19H19A111.0°110.3°
C19C20H20B110.1°110.8°
C19C20H20A110.1°110.8°
C20C21C22103.8°105.2°
C21C20H20B110.1°110.9°
C21C20H20A110.1°110.9°
C20C21H21B110.9°110.3°
C20C21H21A110.9°110.3°
C21C22C18110.2°109.8°
C21C22C23129.4°130.3°
C22C21H21B110.9°110.3°
C22C21H21A110.9°110.3°
C18C22C23120.4°119.8°
C22C23C24119.8°120.8°
C22C23H23120.1°119.6°
C23C24C25120.3°119.9°
C23C24C28129.4°130.3°
C24C23H23120.1°119.6°
C24C25C17120.4°119.7°
C24C25C26111.4°109.8°
C25C24C28110.3°109.8°
C17C25C26128.0°130.4°
C25C26C27103.6°105.2°
C25C26H26A110.9°110.3°
C25C26H26B111.0°110.4°
C26C27C28107.4°102.3°
C27C26H26A110.9°110.3°
C27C26H26B110.9°110.3°
C26C27H27A110.0°110.9°
C26C27H27B110.0°110.9°
C27C28C24103.6°105.1°
C28C27H27A110.0°110.7°
C28C27H27B110.0°110.9°
C27C28H28A110.9°110.2°
C27C28H28B110.9°110.4°
C24C28H28A110.9°110.3°
C24C28H28B110.9°110.3°
H1BC1H1A109.5°109.4°
H1BC1H1C109.5°109.5°
H1AC1H1C109.5°109.5°
H3BC3H3C109.5°109.5°
H3BC3H3A109.5°109.5°
H3CC3H3A109.4°109.5°
H19BC19H19A109.4°110.3°
H20BC20H20A109.5°110.9°
H21BC21H21A109.5°110.4°
H26AC26H26B109.5°110.3°
H27AC27H27B109.5°110.9°
H28AC28H28B109.4°110.4°
H11BN11H11A109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3O4119.5°120.0°
C1C2C3C5121.1°120.0°
C1C2O4C5119.6°120.0°
C1C2C5N679.8°60.0°
C1C2C5S996.6°120.3°
C2C1H1BH1A120.0°119.9°
C2C1H1BH1C120.0°120.0°
C2C1H1AH1C120.0°120.1°
C1C2C3H3B180.0°60.0°
C1C2C3H3C60.0°180.0°
C1C2C3H3A60.0°60.0°
C1C2O4H4180.0°180.0°
C3C2O4C5119.5°120.0°
C3C2C5N642.1°60.0°
C3C2C5S9141.5°119.7°
C3C2C1H1B180.0°60.0°
C3C2C1H1A60.0°180.0°
C3C2C1H1C60.0°60.0°
C2C3H3BH3C120.0°120.0°
C2C3H3BH3A120.0°119.9°
C2C3H3CH3A120.0°120.0°
C3C2O4H459.0°60.0°
O4C2C5N6161.2°180.0°
O4C2C5S922.4°0.3°
O4C2C1H1B60.4°180.0°
O4C2C1H1A59.7°60.0°
O4C2C1H1C179.6°60.0°
O4C2C3H3B60.5°60.0°
O4C2C3H3C179.5°60.0°
O4C2C3H3A59.5°180.0°
C2C5N6S9176.6°179.8°
C2C5N6C7176.5°180.0°
C2C5S9C8176.6°180.0°
C5C2C1H1B59.1°60.0°
C5C2C1H1A179.1°60.0°
C5C2C1H1C60.9°180.0°
C5C2C3H3B58.9°180.0°
C5C2C3H3C61.1°60.0°
C5C2C3H3A179.0°60.0°
C5C2O4H460.4°60.0°
C5N6C7C80.0°0.0°
N6C5S9C80.1°0.3°
C5N6C7H7180.0°180.0°
N6C7C8H7180.0°179.9°
N6C7C8S90.1°0.3°
C7N6C5S90.1°0.2°
N6C7C8S10177.4°180.0°
C7C8S9S10177.7°179.7°
C7C8S9C50.1°0.3°
C7C8S10N11162.7°85.1°
C7C8S10O1281.3°154.8°
C7C8S10N1343.3°34.9°
S9C8S10N1114.7°95.2°
S9C8S10O12101.4°24.9°
S9C8S10N13134.1°144.8°
S9C8C7H7179.9°179.8°
C5S9C8S10177.6°179.9°
C8S10N11O12114.3°120.0°
C8S10N11N13114.7°120.0°
C8S10O12N13115.8°120.0°
C8S10N13C1463.9°8.1°
S10C8C7H72.6°0.1°
C8S10N11H11B180.0°150.0°
C8S10N11H11A60.0°30.0°
N11S10O12N13127.8°120.0°
N11S10N13C1453.5°128.1°
S10N11H11BH11A120.0°180.0°
O12S10N13C14179.6°111.9°
O12S10N11H11B65.7°90.0°
O12S10N11H11A54.3°90.0°
S10N13C14O1513.0°116.0°
S10N13C14N16167.0°64.0°
N13S10N11H11B65.3°30.0°
N13S10N11H11A174.7°150.0°
N13C14O15N16180.0°179.9°
N13C14N16C17178.1°174.5°
N13C14N16H161.9°5.5°
O15C14N16C171.8°5.4°
O15C14N16H16178.2°174.6°
C14N16C17H16180.0°180.0°
C14N16C17C1853.6°144.2°
C14N16C17C25123.2°36.1°
N16C17C18C25176.9°179.8°
N16C17C18C197.8°0.3°
N16C17C18C22175.0°179.7°
N16C17C25C24174.7°179.7°
N16C17C25C2610.0°0.2°
C17C18C19C22177.4°180.0°
C17C18C19C20167.5°162.8°
C17C18C22C21179.4°179.9°
C17C18C22C230.9°0.0°
C18C17C25C242.2°0.1°
C18C17C25C26173.1°180.0°
C17C18C19H19B73.4°43.8°
C17C18C19H19A48.4°78.2°
C18C17N16H16126.4°35.8°
C18C19C20H19B119.1°119.0°
C18C19C20H19A119.0°118.9°
C18C19C20C2118.5°26.2°
C19C18C22C212.9°0.0°
C19C18C22C23176.7°180.0°
C19C18C17C25175.4°179.9°
C18C19H19BH19A122.8°122.1°
C18C19C20H20B138.1°92.0°
C18C19C20H20A101.1°144.5°
C19C20C21H20B119.6°118.2°
C19C20C21H20A119.6°118.2°
C19C20C21C2220.2°26.2°
C20C19C18C229.9°17.2°
C20C19H19BH19A122.8°122.2°
C19C20H20BH20A121.2°123.5°
C19C20C21H21B98.9°145.2°
C19C20C21H21A139.4°92.6°
C20C21C22H21B119.1°118.9°
C20C21C22H21A119.1°118.9°
C20C21C22C1814.5°17.1°
C20C21C22C23165.2°162.8°
C21C20C19H19B100.5°145.2°
C21C20C19H19A137.6°92.7°
C21C20H20BH20A121.2°123.6°
C20C21H21BH21A122.6°122.1°
C21C22C18C23179.7°179.9°
C21C22C23C24179.8°179.9°
C22C21C20H20B139.9°91.9°
C22C21C20H20A99.4°144.4°
C22C21H21BH21A122.6°122.1°
C21C22C23H230.2°0.0°
C18C22C23C240.2°0.0°
C22C18C17C251.8°0.0°
C22C18C19H19B109.2°136.2°
C22C18C19H19A129.0°101.8°
C18C22C21H21B104.6°136.0°
C18C22C21H21A133.6°101.8°
C18C22C23H23179.8°180.0°
C22C23C24H23180.0°180.0°
C22C23C24C250.6°0.1°
C22C23C24C28179.5°180.0°
C23C22C21H21B75.7°43.9°
C23C22C21H21A46.0°78.3°
C23C24C25C28179.9°180.0°
C23C24C25C171.6°0.1°
C23C24C25C26174.4°180.0°
C23C24C28C27164.4°162.9°
C23C24C28H28A45.3°78.3°
C23C24C28H28B76.5°43.9°
C24C25C17C26175.3°179.9°
C24C25C26C277.0°17.1°
C25C24C28C2715.5°17.1°
C25C24C23H23179.4°179.9°
C24C25C26H26A126.1°136.0°
C24C25C26H26B112.1°101.8°
C25C24C28H28A134.6°101.7°
C25C24C28H28B103.6°136.1°
C17C25C26C27168.6°162.8°
C17C25C24C28178.5°179.9°
C17C25C26H26A49.6°43.9°
C17C25C26H26B72.3°78.3°
C25C17N16H1656.8°144.0°
C25C26C27H26A119.1°119.0°
C25C26C27H26B119.1°119.0°
C25C26C27C2816.4°26.2°
C26C25C24C285.5°0.0°
C25C26H26AH26B122.7°122.2°
C25C26C27H27A103.3°91.9°
C25C26C27H27B136.1°144.5°
C26C27C28H27A119.7°118.2°
C26C27C28H27B119.6°118.3°
C26C27C28C2419.5°26.2°
C27C26H26AH26B122.7°122.0°
C26C27H27AH27B120.9°123.6°
C26C27C28H28A138.5°92.7°
C26C27C28H28B99.6°145.2°
C27C28C24H28A119.1°118.8°
C27C28C24H28B119.1°119.0°
C28C27C26H26A135.5°145.2°
C28C27C26H26B102.7°92.8°
C28C27H27AH27B121.0°123.5°
C27C28H28AH28B122.7°122.2°
C28C24C23H230.5°0.0°
C24C28C27H27A100.2°92.0°
C24C28C27H27B139.1°144.5°
C24C28H28AH28B122.7°122.2°
H1BC1H1AH1C120.0°120.0°
H3BC3H3CH3A120.0°120.1°
H19BC19C20H20B19.1°27.0°
H19BC19C20H20A139.9°96.6°
H19AC19C20H20B102.8°149.1°
H19AC19C20H20A18.0°25.6°
H20BC20C21H21B20.8°27.0°
H20BC20C21H21A101.0°149.2°
H20AC20C21H21B141.6°96.6°
H20AC20C21H21A19.8°25.6°
H26AC26C27H27A15.8°27.1°
H26AC26C27H27B104.9°96.5°
H26BC26C27H27A137.6°149.1°
H26BC26C27H27B17.0°25.5°
H27AC27C28H28A18.9°149.1°
H27AC27C28H28B140.7°27.0°
H27BC27C28H28A101.8°25.6°
H27BC27C28H28B20.0°96.5°

259987

PDB entries from 2026-09-23

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