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AEJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O42C39sing1.36Å1.40Å
O42H42sing0.97Å0.95Å
C39C37doub1.39Å1.39ÅAromatic
C39C40sing1.39Å1.36ÅAromatic
C37C35sing1.38Å1.41ÅAromatic
C37H37sing1.08Å1.10Å
C35C34doub1.39Å1.39ÅAromatic
C35H35sing1.08Å1.10Å
C34C33sing1.38Å1.37ÅAromatic
C34C24sing1.51Å1.48Å
C33C40doub1.38Å1.39ÅAromatic
C33C30sing1.51Å1.48Å
C40H40sing1.08Å1.10Å
C24N26sing1.46Å1.47Å
C24C19sing1.51Å1.52Å
C24H24sing1.09Å1.11Å
N26C44sing1.40Å1.41Å
N26C27sing1.47Å1.43Å
C44C45doub1.39Å1.40ÅAromatic
C44C53sing1.39Å1.43ÅAromatic
C45C47sing1.38Å1.43ÅAromatic
C45H45sing1.08Å1.10Å
C47C49doub1.38Å1.39ÅAromatic
C47H47sing1.08Å1.10Å
C49C51sing1.38Å1.39ÅAromatic
C49H49sing1.08Å1.10Å
C51C53doub1.38Å1.41ÅAromatic
C51H51sing1.08Å1.10Å
C53H53sing1.08Å1.10Å
C27C30sing1.53Å1.52Å
C27H271sing1.09Å1.11Å
C27H272sing1.09Å1.11Å
C30H301sing1.09Å1.12Å
C30H302sing1.09Å1.11Å
C19C20doub1.38Å1.39ÅAromatic
C19C17sing1.38Å1.37ÅAromatic
C20C22sing1.38Å1.40ÅAromatic
C20H20sing1.08Å1.10Å
C22C14doub1.39Å1.41ÅAromatic
C22H22sing1.08Å1.10Å
C14C15sing1.39Å1.38ÅAromatic
C14N7sing1.40Å1.34Å
C15C17doub1.38Å1.40ÅAromatic
C15H15sing1.08Å1.10Å
C17H17sing1.08Å1.10Å
N7C8sing1.47Å1.48Å
N7C4sing1.47Å1.47Å
C8C11sing1.53Å1.54Å
C8H81sing1.09Å1.12Å
C8H82sing1.09Å1.12Å
C11N1sing1.47Å1.46Å
C11H111sing1.09Å1.11Å
C11H112sing1.09Å1.12Å
N1C2sing1.47Å1.47Å
N1C64sing1.47Å1.49Å
C2C4sing1.53Å1.51Å
C2C55sing1.53Å1.55Å
C2H2sing1.09Å1.11Å
C4H41sing1.09Å1.12Å
C4H42Asing1.09Å1.11Å
C55C58sing1.53Å1.54Å
C55H551sing1.09Å1.12Å
C55H552sing1.09Å1.11Å
C58C61sing1.53Å1.54Å
C58H581sing1.09Å1.11Å
C58H582sing1.09Å1.12Å
C61C64sing1.53Å1.54Å
C61H611sing1.09Å1.11Å
C61H612sing1.09Å1.11Å
C64H641sing1.09Å1.12Å
C64H642sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C39O42H42121.9°106.8°
O42C39C37121.9°120.1°
O42C39C40117.8°120.1°
C37C39C40120.3°119.7°
C39C37C35119.0°119.8°
C39C37H37119.8°120.1°
C39C40C33120.0°120.2°
C39C40H40119.2°119.9°
C35C37H37121.2°120.1°
C37C35C34120.1°120.4°
C37C35H35120.8°119.8°
C34C35H35119.2°119.8°
C35C34C33118.9°119.7°
C35C34C24122.6°118.8°
C33C34C24118.5°121.5°
C34C33C40121.7°120.1°
C34C33C30122.0°121.0°
C34C24N26120.7°110.7°
C34C24C19100.0°109.2°
C34C24H24106.8°109.2°
C40C33C30116.3°118.9°
C33C40H40120.9°119.9°
C33C30C27119.7°109.4°
C33C30H301108.5°109.5°
C33C30H302108.5°109.4°
N26C24C19102.8°109.2°
N26C24H24104.2°109.2°
C24N26C44120.8°106.7°
C24N26C27120.1°106.7°
C19C24H24123.7°109.2°
C24C19C20124.6°119.9°
C24C19C17118.9°119.9°
C44N26C27116.1°106.7°
N26C44C45121.3°120.1°
N26C44C53121.5°120.1°
N26C27C30115.2°108.7°
N26C27H271110.1°109.6°
N26C27H272110.1°109.6°
C45C44C53117.1°119.8°
C44C45C47120.1°119.9°
C44C45H45118.9°120.0°
C44C53C51122.5°119.9°
C44C53H53119.4°120.0°
C47C45H45121.0°120.1°
C45C47C49121.5°120.1°
C45C47H47120.7°119.9°
C49C47H47117.8°120.0°
C47C49C51119.5°120.1°
C47C49H49120.0°119.9°
C51C49H49120.5°120.0°
C49C51C53119.3°120.1°
C49C51H51119.9°119.9°
C53C51H51120.8°120.0°
C51C53H53118.0°120.0°
C30C27H271110.1°109.6°
C30C27H272110.1°109.6°
C27C30H301108.5°109.5°
C27C30H302108.5°109.5°
H271C27H272100.2°109.7°
H301C30H302101.5°109.5°
C20C19C17116.6°120.2°
C19C20C22121.8°120.0°
C19C20H20118.5°120.0°
C19C17C15121.7°120.0°
C19C17H17118.0°120.0°
C22C20H20119.7°120.0°
C20C22C14122.0°119.9°
C20C22H22118.7°120.0°
C14C22H22119.3°120.1°
C22C14C15114.1°119.9°
C22C14N7124.1°120.0°
C15C14N7121.7°120.1°
C14C15C17123.8°120.0°
C14C15H15117.5°120.0°
C14N7C8118.7°106.7°
C14N7C4119.4°106.6°
C17C15H15118.7°120.0°
C15C17H17120.3°120.0°
C8N7C4110.8°106.8°
N7C8C11115.3°109.5°
N7C8H81110.1°109.5°
N7C8H82110.1°109.4°
N7C4C2111.8°109.7°
N7C4H41111.3°109.4°
N7C4H42A111.4°109.4°
C11C8H81110.1°109.5°
C11C8H82110.1°109.5°
C8C11N1114.4°109.8°
C8C11H111110.4°109.4°
C8C11H112110.4°109.4°
H81C8H82100.2°109.5°
N1C11H111110.4°109.4°
N1C11H112110.4°109.4°
C11N1C2108.9°107.1°
C11N1C64105.8°106.5°
H111C11H11299.9°109.4°
C2N1C64109.8°107.3°
N1C2C4110.7°109.8°
N1C2C55106.9°109.7°
N1C2H2110.8°109.3°
N1C64C61107.7°109.8°
N1C64H641112.9°109.4°
N1C64H642112.9°109.4°
C4C2C55110.8°109.1°
C4C2H2106.9°109.4°
C2C4H41111.3°109.4°
C2C4H42A111.3°109.4°
C55C2H2110.8°109.4°
C2C55C58110.9°109.3°
C2C55H551111.7°109.5°
C2C55H552111.7°109.5°
H41C4H42A99.0°109.4°
C58C55H551111.7°109.6°
C58C55H552111.7°109.6°
C55C58C61112.3°108.8°
C55C58H581111.1°109.6°
C55C58H582111.1°109.6°
H551C55H55298.7°109.5°
C61C58H581111.2°109.6°
C61C58H582111.2°109.6°
C58C61C64102.6°109.2°
C58C61H611114.8°109.5°
C58C61H612114.8°109.6°
H581C58H58299.2°109.7°
C64C61H611114.8°109.5°
C64C61H612114.8°109.5°
C61C64H641112.9°109.4°
C61C64H642112.9°109.4°
H611C61H61295.6°109.6°
H641C64H64297.6°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O42C39C37C40179.6°179.7°
O42C39C37C35178.8°179.9°
O42C39C37H371.2°0.0°
O42C39C40C33178.2°179.7°
O42C39C40H401.8°0.0°
H42O42C39C37180.0°90.0°
H42O42C39C400.4°90.3°
C39C37C35H37180.0°180.0°
C39C37C35C340.6°0.0°
C39C37C35H35179.4°180.0°
C37C39C40C331.4°0.6°
C37C39C40H40178.6°179.7°
C40C39C37C350.8°0.3°
C40C39C37H37179.2°179.7°
C39C40C33C340.6°0.5°
C39C40C33H40180.0°179.7°
C39C40C33C30179.6°179.8°
C37C35C34H35180.0°180.0°
C37C35C34C331.3°0.0°
C37C35C34C24180.0°179.9°
H37C37C35C34179.4°180.0°
H37C37C35H350.6°0.0°
C35C34C33C24178.8°179.9°
C35C34C33C400.7°0.2°
C35C34C33C30179.0°179.9°
C35C34C24N26175.9°159.4°
C35C34C24C1964.4°39.1°
C35C34C24H2465.6°80.3°
H35C35C34C33178.7°179.9°
H35C35C34C240.1°0.1°
C34C33C40C30179.7°179.7°
C34C33C40H40179.4°179.8°
C33C34C24N265.4°20.7°
C33C34C24C19116.8°141.0°
C33C34C24H24113.2°99.6°
C34C33C30C276.8°15.4°
C34C33C30H301132.0°135.4°
C34C33C30H302118.5°104.6°
C24C34C33C40179.5°179.9°
C24C34C33C300.2°0.1°
C34C24N26C19110.0°120.3°
C34C24N26H24119.9°120.3°
C34C24C19H24118.1°119.4°
C34C24N26C44177.4°170.2°
C34C24N26C2717.9°56.5°
C34C24C19C2054.6°100.0°
C34C24C19C17126.0°79.7°
C40C33C30C27173.0°164.9°
C40C33C30H30147.7°44.9°
C40C33C30H30261.8°75.2°
C30C33C40H400.4°0.0°
C33C30C27N2618.1°51.8°
C33C30C27H301125.3°120.0°
C33C30C27H302125.2°119.9°
C33C30C27H271143.3°67.9°
C33C30C27H272107.2°171.6°
C33C30H301H302114.2°120.0°
N26C24C19H24117.0°119.4°
C24N26C44C27160.3°113.7°
C24N26C44C4537.1°121.1°
C24N26C44C53138.7°59.2°
C24N26C27C3023.3°74.6°
C24N26C27H271148.5°45.1°
C24N26C27H272102.0°165.7°
N26C24C19C2070.3°138.8°
N26C24C19C17109.1°41.5°
C19C24N26C4472.5°69.5°
C19C24N26C27127.9°176.7°
C24C19C20C17179.5°179.8°
C24C19C20C22179.8°180.0°
C24C19C20H200.2°0.0°
C24C19C17C15179.7°179.7°
C24C19C17H170.3°0.2°
H24C24N26C4457.6°49.9°
H24C24N26C27102.0°63.9°
H24C24C19C20172.7°19.4°
H24C24C19C177.9°160.9°
N26C44C45C53175.9°179.7°
N26C44C45C47177.4°180.0°
N26C44C45H452.6°0.1°
N26C44C53C51177.6°179.8°
N26C44C53H532.4°0.3°
C44N26C27C30176.2°171.7°
C44N26C27H27151.0°68.6°
C44N26C27H27258.5°51.9°
C27N26C44C45123.3°125.2°
C27N26C44C5361.0°54.5°
N26C27C30H271125.2°119.8°
N26C27C30H272125.2°119.8°
N26C27H271H272116.0°120.4°
N26C27C30H301143.4°171.8°
N26C27C30H302107.2°68.1°
C44C45C47H45180.0°179.9°
C44C45C47C490.7°0.1°
C44C45C47H47179.3°180.0°
C45C44C53C511.7°0.6°
C45C44C53H53178.4°180.0°
C53C44C45C471.4°0.3°
C53C44C45H45178.5°179.8°
C44C53C51C491.1°0.6°
C44C53C51H53180.0°179.5°
C44C53C51H51178.9°179.8°
C45C47C49H47180.0°179.9°
C45C47C49C510.1°0.1°
C45C47C49H49179.9°180.0°
H45C45C47C49179.3°180.0°
H45C45C47H470.7°0.1°
C47C49C51H49180.0°179.9°
C47C49C51C530.2°0.3°
C47C49C51H51179.8°180.0°
H47C47C49C51179.9°180.0°
H47C47C49H490.1°0.1°
C49C51C53H51180.0°179.7°
C49C51C53H53178.9°180.0°
H49C49C51C53179.7°179.8°
H49C49C51H510.3°0.1°
H51C51C53H531.1°0.3°
C30C27H271H272115.9°120.3°
C27C30H301H302114.2°120.1°
H271C27C30H30191.4°52.1°
H271C27C30H30218.1°172.1°
H272C27C30H30118.1°68.4°
H272C27C30H302127.6°51.7°
C19C20C22H20180.0°179.9°
C19C20C22C140.0°0.0°
C19C20C22H22180.0°180.0°
C20C19C17C150.8°0.5°
C20C19C17H17179.2°179.9°
C17C19C20C220.3°0.3°
C17C19C20H20179.7°179.8°
C19C17C15C141.0°0.5°
C19C17C15H17180.0°179.5°
C19C17C15H15179.0°179.8°
C20C22C14H22180.0°179.9°
C20C22C14C150.1°0.1°
C20C22C14N7178.8°180.0°
H20C20C22C14180.0°180.0°
H20C20C22H220.0°0.1°
C22C14C15N7178.8°179.9°
C22C14C15C170.6°0.3°
C22C14C15H15179.4°180.0°
C22C14N7C8179.3°66.3°
C22C14N7C438.5°179.9°
H22C22C14C15179.9°180.0°
H22C22C14N71.2°0.1°
C14C15C17H15180.0°179.7°
C14C15C17H17179.0°179.9°
C15C14N7C80.6°113.8°
C15C14N7C4140.1°0.0°
N7C14C15C17179.4°179.8°
N7C14C15H150.6°0.1°
C14N7C8C4143.9°113.7°
C14N7C8C11172.6°175.3°
C14N7C8H8162.2°64.7°
C14N7C8H8247.3°55.3°
C14N7C4C2164.1°175.1°
C14N7C4H4138.8°55.1°
C14N7C4H42A70.6°64.8°
H15C15C17H171.0°0.2°
N7C8C11H81125.3°120.0°
N7C8C11H82125.3°120.0°
N7C8H81H82115.9°120.0°
N7C8C11N144.5°63.0°
N7C8C11H111169.7°57.1°
N7C8C11H11280.8°176.9°
C8N7C4C252.4°61.4°
C8N7C4H41177.6°58.6°
C8N7C4H42A72.9°178.5°
C4N7C8C1143.6°61.5°
C4N7C8H8181.7°178.5°
C4N7C8H82168.8°58.5°
N7C4C2N162.6°62.6°
N7C4C2H41125.3°120.0°
N7C4C2H42A125.3°120.1°
N7C4C2C55179.1°177.0°
N7C4C2H258.3°57.3°
N7C4H41H42A117.2°119.9°
C11C8H81H82115.9°120.0°
C8C11N1H111125.2°120.1°
C8C11N1H112125.3°120.1°
C8C11H111H112116.3°119.8°
C8C11N1C251.3°60.9°
C8C11N1C64169.2°175.4°
H81C8C11N180.8°177.0°
H81C8C11H11144.5°62.9°
H81C8C11H112154.0°56.9°
H82C8C11N1169.8°57.0°
H82C8C11H11165.0°177.1°
H82C8C11H11244.5°63.1°
N1C11H111H112116.3°119.8°
C11N1C2C64115.4°114.0°
C11N1C2C460.1°60.6°
C11N1C2C55179.2°179.5°
C11N1C2H258.4°59.5°
C11N1C64C61169.0°180.0°
C11N1C64H64143.7°59.9°
C11N1C64H64265.7°59.9°
H111C11N1C2176.5°59.2°
H111C11N1C6465.6°55.3°
H112C11N1C274.0°179.0°
H112C11N1C6443.9°64.5°
N1C2C4C55118.3°120.3°
N1C2C4H2120.8°119.9°
N1C2C55H2120.8°119.9°
N1C2C4H41172.2°57.4°
N1C2C4H42A62.7°177.3°
N1C2C55C5854.1°61.4°
N1C2C55H551179.3°178.6°
N1C2C55H55271.2°58.6°
C2N1C64C6173.7°65.6°
C2N1C64H641161.1°54.4°
C2N1C64H64251.6°174.3°
C64N1C2C4175.5°174.5°
C64N1C2C5563.8°65.5°
C64N1C2H257.0°54.5°
N1C64C61C5866.7°61.5°
N1C64C61H641125.2°120.0°
N1C64C61H642125.3°120.1°
N1C64C61H611168.1°178.6°
N1C64C61H61258.6°58.5°
N1C64H641H642118.8°119.9°
C4C2C55H2118.5°119.7°
C2C4H41H42A117.2°119.9°
C4C2C55C58174.7°178.2°
C4C2C55H55160.0°58.2°
C4C2C55H55249.5°61.8°
C55C2C4H4153.8°62.9°
C55C2C4H42A55.6°56.9°
C2C55C58H551125.3°119.9°
C2C55C58H552125.3°119.9°
C2C55H551H552117.6°120.0°
C2C55C58C6155.2°55.7°
C2C55C58H58170.0°64.1°
C2C55C58H582179.5°175.5°
H2C2C4H4167.0°177.4°
H2C2C4H42A176.5°62.8°
H2C2C55C5866.8°58.5°
H2C2C55H55158.5°61.5°
H2C2C55H552168.0°178.5°
C58C55H551H552117.6°120.2°
C55C58C61H581125.3°119.8°
C55C58C61H582125.2°119.8°
C55C58H581H582117.0°120.3°
C55C58C61C6459.1°55.8°
C55C58C61H611175.6°175.6°
C55C58C61H61266.2°64.2°
H551C55C58C61179.5°175.6°
H551C55C58H58155.2°55.8°
H551C55C58H58254.2°64.6°
H552C55C58C6170.0°64.2°
H552C55C58H581164.7°176.0°
H552C55C58H58255.2°55.6°
C61C58H581H582117.1°120.3°
C58C61C64H611125.3°119.9°
C58C61C64H612125.3°120.0°
C58C61H611H612120.7°120.3°
C58C61C64H641168.1°58.5°
C58C61C64H64258.6°178.4°
H581C58C61C6466.2°64.1°
H581C58C61H61159.1°55.8°
H581C58C61H612168.6°176.0°
H582C58C61C64175.7°175.5°
H582C58C61H61150.4°64.6°
H582C58C61H61259.1°55.6°
C64C61H611H612120.7°120.1°
C61C64H641H642118.8°119.9°
H611C61C64H64142.8°61.4°
H611C61C64H64266.6°58.5°
H612C61C64H64166.6°178.5°
H612C61C64H642176.1°61.7°

225946

PDB entries from 2024-10-09

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