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IOK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C7sing1.39Å1.39ÅAromatic
C1C8sing1.51Å1.51Å
C1C2doub1.39Å1.41ÅAromatic
C2C3sing1.39Å1.39ÅAromatic
C2H2sing1.09Å1.08Å
C3C4doub1.40Å1.39ÅAromatic
C3H3sing1.09Å1.08Å
C4C6sing1.40Å1.40ÅAromatic
C4O5sing1.36Å1.35Å
O5HO5sing0.97Å0.95Å
C6C7doub1.40Å1.41ÅAromatic
C6H6sing1.09Å1.08Å
C7H7sing1.09Å1.08Å
C8C9sing1.54Å1.53Å
C8H81sing1.10Å1.10Å
C8H82sing1.10Å1.10Å
C9C10sing1.54Å1.54Å
C9H91sing1.10Å1.10Å
C9H92sing1.10Å1.10Å
C10C11sing1.53Å1.53Å
C10N12sing1.44Å1.47Å
C10H10sing1.09Å1.10Å
C11H111sing1.10Å1.10Å
C11H112sing1.09Å1.10Å
C11H113sing1.10Å1.10Å
N12C13sing1.39Å1.33Å
N12HN12sing1.02Å1.00Å
C13O14doub1.23Å1.26Å
C13C15sing1.53Å1.50Å
C15C16sing1.48Å1.51Å
C15H151sing1.11Å1.10Å
C15H152sing1.11Å1.10Å
C16C24sing1.42Å1.39Å
C16C17doub1.38Å1.42Å
C17N18sing1.37Å1.36Å
C17C25sing1.44Å1.49Å
N18C19sing1.38Å1.37Å
N18HN18sing1.01Å1.00Å
C19C24doub1.40Å1.38ÅAromatic
C19C20sing1.40Å1.40ÅAromatic
C20C21doub1.40Å1.40ÅAromatic
C20H20sing1.09Å1.08Å
C21C22sing1.39Å1.41ÅAromatic
C21H21sing1.09Å1.08Å
C22C23doub1.40Å1.39ÅAromatic
C22H22sing1.09Å1.08Å
C23C24sing1.41Å1.42ÅAromatic
C23H23sing1.09Å1.08Å
C25C26doub1.39Å1.39ÅAromatic
C25C30sing1.39Å1.40ÅAromatic
C26C27sing1.39Å1.41ÅAromatic
C26H26sing1.09Å1.08Å
C27C28doub1.40Å1.39ÅAromatic
C27H27sing1.09Å1.08Å
C28C29sing1.39Å1.40ÅAromatic
C28H28sing1.09Å1.08Å
C29C30doub1.40Å1.40ÅAromatic
C29H29sing1.09Å1.08Å
C30H30sing1.09Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C1C8122.4°119.4°
C7C1C2119.9°121.2°
C1C7C6119.7°119.5°
C1C7H7120.1°121.1°
C8C1C2117.6°119.4°
C1C8C9112.0°113.9°
C1C8H81108.6°110.1°
C1C8H82108.1°108.0°
C1C2C3120.2°119.4°
C1C2H2119.9°121.1°
C3C2H2119.9°119.4°
C2C3C4119.9°120.0°
C2C3H3120.0°119.7°
C4C3H3120.0°120.4°
C3C4C6120.0°120.0°
C3C4O5118.9°120.0°
C6C4O5121.1°120.0°
C4C6C7120.0°120.0°
C4C6H6120.0°120.4°
C4O5HO5109.5°110.3°
C7C6H6120.0°119.7°
C6C7H7120.1°119.5°
C9C8H81108.7°110.2°
C9C8H82108.1°108.8°
C8C9C10110.5°114.4°
C8C9H91109.1°109.5°
C8C9H92108.9°107.8°
H81C8H82111.4°105.4°
C10C9H91109.2°109.2°
C10C9H92108.9°109.1°
C9C10C11111.6°110.7°
C9C10N12108.6°111.4°
C9C10H10108.5°110.1°
H91C9H92110.3°106.5°
C11C10N12109.1°109.7°
C11C10H10108.0°108.3°
C10C11H111109.5°111.2°
C10C11H112109.5°111.0°
C10C11H113109.5°110.7°
N12C10H10111.0°106.6°
C10N12C13119.7°122.6°
C10N12HN12120.2°118.7°
H111C11H112109.5°108.3°
H111C11H113109.4°107.4°
H112C11H113109.5°108.0°
C13N12HN12120.1°118.7°
N12C13O14119.8°125.0°
N12C13C15120.1°112.4°
O14C13C15120.1°122.6°
C13C15C16114.0°114.3°
C13C15H151108.0°107.6°
C13C15H152107.0°107.4°
C16C15H151108.0°110.9°
C16C15H152106.9°111.0°
C15C16C24125.1°126.0°
C15C16C17129.1°126.3°
H151C15H152113.1°105.2°
C24C16C17105.9°107.7°
C16C24C19108.8°107.1°
C16C24C23130.7°134.2°
C16C17N18108.1°107.9°
C16C17C25131.4°130.5°
N18C17C25120.5°121.6°
C17N18C19109.1°110.2°
C17N18HN18125.4°125.2°
C17C25C26124.9°120.0°
C17C25C30116.4°120.0°
C19N18HN18125.5°124.6°
N18C19C24107.9°107.1°
N18C19C20130.0°130.2°
C24C19C20122.0°122.7°
C19C24C23120.3°118.7°
C19C20C21118.2°117.6°
C19C20H20120.9°121.5°
C21C20H20120.9°121.0°
C20C21C22120.0°121.0°
C20C21H21120.0°119.4°
C22C21H21120.0°119.6°
C21C22C23121.4°120.8°
C21C22H22119.3°119.7°
C23C22H22119.3°119.5°
C22C23C24118.0°119.2°
C22C23H23121.0°119.9°
C24C23H23121.0°120.9°
C26C25C30118.8°120.1°
C25C26C27120.6°120.0°
C25C26H26119.7°120.9°
C25C30C29120.9°120.0°
C25C30H30119.5°121.0°
C27C26H26119.7°119.1°
C26C27C28120.1°120.0°
C26C27H27120.0°120.0°
C28C27H27119.9°120.0°
C27C28C29119.8°120.0°
C27C28H28120.1°120.0°
C29C28H28120.1°120.0°
C28C29C30119.8°120.0°
C28C29H29120.1°120.0°
C30C29H29120.1°120.0°
C29C30H30119.6°119.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C1C8C2179.8°180.0°
C7C1C2C30.8°0.0°
C7C1C2H2179.1°180.0°
C1C7C6C45.6°0.0°
C1C7C6H7180.0°180.0°
C1C7C6H6174.5°179.9°
C7C1C8C98.6°90.0°
C7C1C8H81128.6°145.6°
C7C1C8H82110.4°31.0°
C8C1C2C3179.3°180.0°
C8C1C2H20.7°0.0°
C8C1C7C6176.6°180.0°
C8C1C7H73.4°0.0°
C1C8C9H81120.0°124.4°
C1C8C9H82118.9°120.5°
C1C8H81H82119.0°116.2°
C1C8C9C10170.8°177.0°
C1C8C9H9169.2°60.0°
C1C8C9H9251.3°55.4°
C1C2C3H2180.0°180.0°
C1C2C3C40.1°0.0°
C1C2C3H3179.9°180.0°
C2C1C7C63.6°0.0°
C2C1C7H7176.4°180.0°
C2C1C8C9171.6°90.0°
C2C1C8H8151.6°34.4°
C2C1C8H8269.4°149.0°
C2C3C4H3180.0°180.0°
C2C3C4C62.1°0.1°
C2C3C4O5179.5°179.9°
H2C2C3C4179.9°180.0°
H2C2C3H30.1°0.0°
C3C4C6O5178.4°180.0°
C3C4O5HO55.4°2.4°
C3C4C6C74.8°0.1°
C3C4C6H6175.2°180.0°
H3C3C4C6177.9°180.0°
H3C3C4O50.5°0.1°
C6C4O5HO5176.2°177.6°
C4C6C7H6180.0°179.9°
C4C6C7H7174.4°179.9°
O5C4C6C7176.8°179.9°
O5C4C6H63.2°0.0°
H6C6C7H75.6°0.0°
C9C8H81H82119.0°117.3°
C8C9C10H91120.0°123.1°
C8C9C10H92119.6°120.9°
C8C9H91H92119.6°116.3°
C8C9C10C1197.2°176.9°
C8C9C10N1223.2°60.8°
C8C9C10H10144.0°57.2°
H81C8C9C1050.8°58.6°
H81C8C9H91170.8°64.3°
H81C8C9H9268.8°179.8°
H82C8C9C1070.2°56.5°
H82C8C9H9149.8°179.5°
H82C8C9H92170.2°65.1°
C10C9H91H92119.6°117.7°
C9C10C11N12120.0°123.2°
C9C10C11H10119.2°120.7°
C9C10N12H10119.2°120.1°
C9C10C11H111119.5°57.1°
C9C10C11H112120.4°177.8°
C9C10C11H1130.4°62.3°
C9C10N12C1391.8°120.1°
C9C10N12HN1288.2°59.9°
H91C9C10C11142.9°60.0°
H91C9C10N1296.8°62.3°
H91C9C10H1024.0°179.7°
H92C9C10C1122.4°56.0°
H92C9C10N12142.8°178.3°
H92C9C10H1096.5°63.6°
C11C10N12H10118.9°117.1°
C10C11H111H112120.0°122.2°
C10C11H111H113120.0°121.4°
C10C11H112H113120.0°121.6°
C11C10N12C13146.3°117.1°
C11C10N12HN1233.7°62.9°
N12C10C11H1110.5°66.1°
N12C10C11H112119.5°54.5°
N12C10C11H113120.5°174.5°
C10N12C13HN12180.0°180.0°
C10N12C13O140.4°0.0°
C10N12C13C15179.6°179.8°
H10C10C11H111121.3°177.8°
H10C10C11H1121.2°61.5°
H10C10C11H113118.8°58.4°
H10C10N12C1327.4°0.0°
H10C10N12HN12152.6°180.0°
H111C11H112H113120.0°116.0°
N12C13O14C15179.1°179.8°
N12C13C15C1626.2°153.6°
N12C13C15H151146.2°30.0°
N12C13C15H15291.8°82.8°
HN12N12C13O14179.5°180.0°
HN12N12C13C150.4°0.2°
O14C13C15C16154.7°26.6°
O14C13C15H15134.7°150.2°
O14C13C15H15287.3°97.0°
C13C15C16H151120.0°121.8°
C13C15C16H152118.0°121.6°
C13C15H151H152118.2°114.3°
C13C15C16C2470.9°90.0°
C13C15C16C17107.0°90.0°
C16C15H151H152118.1°120.1°
C15C16C24C17178.3°180.0°
C15C16C17N18179.1°180.0°
C15C16C17C251.7°0.0°
C15C16C24C19178.6°180.0°
C15C16C24C233.1°0.0°
H151C15C16C2449.1°148.3°
H151C15C16C17133.0°31.8°
H152C15C16C24171.1°31.6°
H152C15C16C1711.0°148.4°
C24C16C17N182.6°0.0°
C24C16C17C25176.6°180.0°
C16C24C19N182.5°0.0°
C16C24C19C23176.0°180.0°
C16C24C19C20176.7°180.0°
C16C24C23C22177.9°180.0°
C16C24C23H232.2°0.0°
C16C17N18C25179.3°180.0°
C16C17N18C191.2°0.0°
C16C17N18HN18178.8°180.0°
C17C16C24C193.1°0.0°
C17C16C24C23178.6°180.0°
C16C17C25C264.1°90.0°
C16C17C25C30177.1°90.1°
C17N18C19HN18180.0°180.0°
C17N18C19C240.8°0.0°
C17N18C19C20178.3°180.0°
N18C17C25C26175.0°90.0°
N18C17C25C303.8°89.9°
C25C17N18C19178.1°180.0°
C25C17N18HN181.9°0.0°
C17C25C26C30178.9°179.9°
C17C25C26C27179.7°179.9°
C17C25C26H260.3°0.0°
C17C25C30C29178.8°180.0°
C17C25C30H301.2°0.1°
N18C19C24C20179.2°180.0°
N18C19C20C21179.3°180.0°
N18C19C20H200.7°0.0°
N18C19C24C23178.5°180.0°
HN18N18C19C24179.2°180.0°
HN18N18C19C201.7°0.0°
C24C19C20C210.3°0.0°
C24C19C20H20179.6°180.0°
C19C24C23C222.8°0.0°
C19C24C23H23177.2°180.0°
C19C20C21H20180.0°180.0°
C19C20C21C220.8°0.0°
C19C20C21H21179.2°180.0°
C20C19C24C230.7°0.0°
C20C21C22H21180.0°180.0°
C20C21C22C233.0°0.0°
C20C21C22H22177.0°180.0°
H20C20C21C22179.2°180.0°
H20C20C21H210.8°0.0°
C21C22C23H22180.0°180.0°
C21C22C23C244.0°0.0°
C21C22C23H23176.0°180.0°
H21C21C22C23176.9°180.0°
H21C21C22H223.0°0.0°
C22C23C24H23180.0°180.0°
H22C22C23C24176.0°180.0°
H22C22C23H234.0°0.0°
C25C26C27H26180.0°179.9°
C25C26C27C281.4°0.1°
C25C26C27H27178.6°179.9°
C26C25C30C292.3°0.0°
C26C25C30H30177.7°180.0°
C30C25C26C270.8°0.0°
C30C25C26H26179.2°179.9°
C25C30C29C281.5°0.0°
C25C30C29H30180.0°180.0°
C25C30C29H29178.5°180.0°
C26C27C28H27180.0°179.8°
C26C27C28C292.2°0.1°
C26C27C28H28177.8°180.0°
H26C26C27C28178.6°180.0°
H26C26C27H271.4°0.2°
C27C28C29H28180.0°179.9°
C27C28C29C300.7°0.1°
C27C28C29H29179.3°180.0°
H27C27C28C29177.8°179.9°
H27C27C28H282.2°0.2°
C28C29C30H29180.0°179.9°
C28C29C30H30178.5°180.0°
H28C28C29C30179.3°180.0°
H28C28C29H290.7°0.1°
H29C29C30H301.5°0.0°

248636

PDB entries from 2026-02-04

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