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A1JQO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CNsing1.47Å1.48Å
NC1sing1.47Å1.46Å
C1C2sing1.53Å1.53Å
C2N1sing1.47Å1.49Å
N1C3sing1.47Å1.47Å
C3C4sing1.53Å1.52Å
C4C5sing1.51Å1.51Å
OC5doub1.21Å1.23Å
C5N2sing1.35Å1.35Å
N2C6sing1.39Å1.40Å
C6C7doub1.39Å1.39ÅAromatic
C7C8sing1.39Å1.39ÅAromatic
C8N3sing1.39Å1.40Å
N3C9sing1.40Å1.39Å
C9C10doub1.39Å1.40ÅAromatic
C10C11sing1.40Å1.39ÅAromatic
N4C11doub1.33Å1.34ÅAromatic
N5N4sing1.28Å1.36ÅAromatic
C12N5doub1.32Å1.33ÅAromatic
C9C12sing1.40Å1.39ÅAromatic
SC12sing1.76Å1.76Å
C13Ssing1.81Å1.81Å
C14C13sing1.53Å1.51Å
O1C14sing1.43Å1.42Å
C11C15sing1.48Å1.48Å
C15C16doub1.39Å1.39ÅAromatic
FC16sing1.35Å1.36Å
C16C17sing1.38Å1.37ÅAromatic
C17C18doub1.38Å1.38ÅAromatic
C18C19sing1.38Å1.37ÅAromatic
C19CLsing1.74Å1.74Å
C20C19doub1.38Å1.38ÅAromatic
C15C20sing1.39Å1.40ÅAromatic
C21C8doub1.40Å1.40ÅAromatic
C22C21sing1.38Å1.38ÅAromatic
N6C22doub1.32Å1.34ÅAromatic
C6N6sing1.32Å1.35ÅAromatic
C23N1sing1.47Å1.47Å
C24C23sing1.53Å1.52Å
NC24sing1.47Å1.47Å
C18H21sing1.08Å1.08Å
C17H20sing1.08Å1.08Å
C20H22sing1.08Å1.08Å
C10H14sing1.08Å1.08Å
C13H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
O1H19sing0.97Å0.95Å
N3H13sing0.97Å1.00Å
C7H12sing1.08Å1.08Å
C21H23sing1.08Å1.08Å
C22H24sing1.08Å1.08Å
N2H11sing0.97Å1.00Å
C4H10sing1.09Å1.10Å
C4H9sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C3H8sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C1H4sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C24H27sing1.09Å1.10Å
C24H28sing1.09Å1.10Å
CHsing1.09Å1.10Å
CH1sing1.09Å1.10Å
CH2sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CNC1110.8°111.0°
CNC24111.0°111.0°
NCH109.5°109.4°
NCH1109.5°109.5°
NCH2109.5°109.5°
NC1C2110.6°109.4°
C1NC24109.4°110.9°
NC1H3109.1°109.5°
NC1H4109.2°109.5°
C1C2N1110.6°109.3°
C1C2H5109.2°109.5°
C1C2H6109.2°109.5°
C2C1H3109.2°109.5°
C2C1H4109.2°109.5°
C2N1C3110.6°111.0°
C2N1C23110.8°110.9°
N1C2H5109.2°109.5°
N1C2H6109.2°109.5°
N1C3C4111.7°109.5°
C3N1C23110.1°111.0°
N1C3H7108.9°109.5°
N1C3H8108.9°109.4°
C3C4C5111.7°109.5°
C3C4H10108.9°109.5°
C3C4H9108.9°109.4°
C4C3H7108.9°109.5°
C4C3H8108.9°109.5°
C4C5O122.0°120.0°
C4C5N2113.6°120.0°
C5C4H10108.9°109.5°
C5C4H9108.9°109.5°
OC5N2124.1°120.0°
C5N2C6128.5°120.0°
C5N2H11115.8°120.0°
N2C6C7123.0°119.6°
N2C6N6113.9°119.7°
C6N2H11115.8°120.0°
C6C7C8118.1°119.0°
C7C6N6123.1°120.7°
C6C7H12120.9°120.5°
C7C8N3117.4°120.8°
C7C8C21119.3°118.4°
C8C7H12120.9°120.5°
C8N3C9127.8°120.0°
N3C8C21123.3°120.8°
C8N3H13116.1°120.0°
N3C9C10121.0°121.1°
N3C9C12122.5°121.1°
C9N3H13116.1°120.0°
C9C10C11118.8°117.9°
C10C9C12116.4°117.8°
C9C10H14120.6°121.1°
C10C11N4121.8°119.8°
C10C11C15121.5°120.1°
C11C10H14120.6°121.0°
C11N4N5119.9°122.3°
N4C11C15116.6°120.1°
N4N5C12119.6°122.3°
N5C12C9123.3°119.8°
N5C12S118.2°120.1°
C9C12S118.5°120.1°
C12SC13104.0°103.0°
SC13C14110.8°109.5°
SC13H15109.1°109.4°
SC13H16109.2°109.5°
C13C14O1110.6°109.5°
C14C13H15109.1°109.5°
C14C13H16109.1°109.5°
C13C14H17109.2°109.4°
C13C14H18109.2°109.5°
O1C14H17109.2°109.5°
O1C14H18109.2°109.5°
C14O1H19109.5°114.0°
C11C15C16122.8°120.2°
C11C15C20119.7°120.1°
C15C16F118.4°120.1°
C15C16C17123.2°119.9°
C16C15C20117.2°119.7°
FC16C17118.3°120.1°
C16C17C18118.8°120.1°
C16C17H20120.6°119.9°
C17C18C19119.2°120.3°
C17C18H21120.4°119.9°
C18C17H20120.6°120.0°
C18C19CL119.0°119.9°
C18C19C20122.1°120.1°
C19C18H21120.4°119.8°
CLC19C20118.8°119.9°
C19C20C15119.3°119.9°
C19C20H22120.3°120.0°
C15C20H22120.4°120.1°
C8C21C22117.9°119.2°
C8C21H23121.1°120.4°
C21C22N6124.0°120.9°
C22C21H23121.0°120.4°
C21C22H24118.0°119.6°
C22N6C6117.5°121.8°
N6C22H24118.0°119.5°
N1C23C24110.2°109.4°
N1C23H25109.3°109.5°
N1C23H26109.3°109.5°
C23C24N110.6°109.3°
C24C23H25109.3°109.5°
C24C23H26109.3°109.5°
C23C24H27109.2°109.5°
C23C24H28109.2°109.5°
NC24H27109.2°109.5°
NC24H28109.2°109.5°
H15C13H16109.5°109.5°
H17C14H18109.5°109.4°
H10C4H9109.5°109.4°
H7C3H8109.5°109.4°
H5C2H6109.5°109.6°
H3C1H4109.5°109.6°
H25C23H26109.5°109.5°
H27C24H28109.5°109.5°
HCH1109.5°109.4°
HCH2109.5°109.5°
H1CH2109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CNC1C24122.7°123.9°
CNC1C2178.3°176.8°
CNC24C23176.9°176.8°
CNC1H358.2°63.3°
CNC1H461.5°56.9°
CNC24H2756.7°56.8°
CNC24H2862.9°63.3°
NCHH1120.0°120.0°
NCHH2120.0°120.0°
NCH1H2120.0°120.0°
NC1C2H3120.1°119.9°
NC1C2H4120.2°120.0°
NC1C2N156.5°58.4°
C1NC24C2360.5°59.3°
NC1C2H563.7°178.3°
NC1C2H6176.7°61.5°
NC1H3H4119.5°120.1°
C1NC24H27179.3°179.3°
C1NC24H2859.7°60.6°
C1NCH180.0°60.0°
C1NCH160.0°180.0°
C1NCH260.0°60.0°
C1C2N1H5120.2°119.9°
C1C2N1H6120.2°119.9°
C1C2N1C3177.2°176.8°
C1C2N1C2354.8°59.3°
C2C1NC2459.0°59.3°
C1C2H5H6119.5°120.1°
C2C1H3H4119.5°120.1°
C2N1C3C23122.8°123.8°
C2N1C3C4165.5°170.0°
C2N1C23C2456.0°59.3°
C2N1C3H774.2°49.9°
C2N1C3H845.1°70.0°
N1C2H5H6119.5°120.1°
N1C2C1H3176.6°61.5°
N1C2C1H463.7°178.4°
C2N1C23H2564.1°60.7°
C2N1C23H26176.1°179.3°
N1C3C4H7120.3°120.0°
N1C3C4H8120.3°120.0°
N1C3C4C582.4°180.0°
C3N1C23C24178.7°176.8°
N1C3C4H1037.9°59.9°
N1C3C4H9157.3°60.0°
N1C3H7H8119.0°119.9°
C3N1C2H557.1°56.9°
C3N1C2H662.6°63.3°
C3N1C23H2558.6°63.2°
C3N1C23H2661.2°56.8°
C3C4C5H10120.3°120.0°
C3C4C5H9120.3°120.0°
C3C4C5O24.9°0.0°
C3C4C5N2161.6°180.0°
C4C3N1C2371.8°66.2°
C3C4H10H9119.0°119.9°
C4C3H7H8119.0°120.0°
C4C5ON2172.9°180.0°
C4C5N2C6178.2°175.1°
C4C5N2H111.8°5.0°
C5C4H10H9119.0°120.0°
C5C4C3H7157.3°60.0°
C5C4C3H837.9°60.0°
OC5N2C68.4°4.9°
OC5N2H11171.6°175.0°
OC5C4H1095.4°120.0°
OC5C4H9145.2°120.0°
C5N2C6H11180.0°179.9°
C5N2C6C78.2°174.6°
C5N2C6N6171.4°5.4°
N2C5C4H1078.1°59.9°
N2C5C4H941.2°60.0°
N2C6C7N6179.6°180.0°
N2C6C7C8178.9°180.0°
N2C6N6C22177.6°179.8°
N2C6C7H121.1°0.0°
C6C7C8H12180.0°180.0°
C6C7C8N3176.9°180.0°
C6C7C8C210.8°0.3°
C7C6N6C222.1°0.2°
C7C6N2H11171.8°5.5°
C7C8N3C21177.6°179.7°
C7C8N3C9168.5°139.6°
C7C8C21C220.9°0.3°
C8C7C6N60.7°0.0°
C7C8N3H1311.5°40.4°
C7C8C21H23179.2°179.7°
C8N3C9H13180.0°180.0°
C8N3C9C1034.8°7.7°
C8N3C9C12143.8°172.4°
N3C8C21C22176.7°180.0°
N3C8C7H123.1°0.0°
N3C8C21H233.3°0.0°
N3C9C10C12178.7°180.0°
N3C9C10C11178.7°180.0°
N3C9C12N5177.2°179.7°
N3C9C12S0.9°0.0°
C9N3C8C2113.9°40.7°
N3C9C10H141.3°0.0°
C9C10C11H14180.0°180.0°
C9C10C11N42.0°0.2°
C10C9C12N54.2°0.3°
C10C9C12S177.8°180.0°
C9C10C11C15173.8°180.0°
C10C9N3H13145.2°172.4°
C10C11N4C15176.1°179.8°
C10C11N4N50.1°0.2°
C11C10C9C120.0°0.0°
C10C11C15C1631.6°180.0°
C10C11C15C20141.6°0.2°
C11N4N5C123.9°0.1°
N4C11C15C16152.3°0.2°
N4C11C15C2034.4°180.0°
N4C11C10H14178.0°179.8°
N4N5C12C96.2°0.3°
N4N5C12S175.7°180.0°
N5N4C11C15175.9°180.0°
N5C12C9S178.0°179.7°
N5C12SC1337.7°0.0°
C9C12SC13140.4°179.8°
C12C9C10H14180.0°180.0°
C12C9N3H1336.2°7.6°
C12SC13C1491.4°180.0°
C12SC13H15148.4°60.0°
C12SC13H1628.8°60.0°
SC13C14H15120.2°119.9°
SC13C14H16120.2°120.0°
SC13C14O173.9°180.0°
SC13H15H16119.4°120.0°
SC13C14H1746.3°60.0°
SC13C14H18166.0°59.9°
C13C14O1H17120.1°120.0°
C13C14O1H18120.2°120.0°
C14C13H15H16119.4°120.1°
C13C14H17H18119.5°120.0°
C13C14O1H19180.0°180.0°
O1C14C13H15165.9°60.1°
O1C14C13H1646.3°60.0°
O1C14H17H18119.5°120.0°
C11C15C16C20173.4°179.8°
C11C15C16F9.6°0.1°
C11C15C16C17174.2°179.9°
C11C15C20C19175.5°179.7°
C11C15C20H224.5°0.1°
C15C11C10H146.2°0.0°
C15C16FC17176.4°180.0°
C15C16C17C181.9°0.0°
C16C15C20C191.8°0.5°
C15C16C17H20178.1°180.0°
C16C15C20H22178.2°179.8°
FC16C17C18174.3°180.0°
FC16C15C20176.9°179.7°
FC16C17H205.7°0.0°
C16C17C18H20180.0°180.0°
C16C17C18C193.5°0.0°
C17C16C15C200.8°0.2°
C16C17C18H21176.6°180.0°
C17C18C19H21180.0°180.0°
C17C18C19CL175.3°180.0°
C17C18C19C202.5°0.2°
C18C19CLC20177.9°179.8°
C18C19C20C150.2°0.5°
C19C18C17H20176.5°180.0°
C18C19C20H22179.8°179.8°
CLC19C20C15178.0°179.7°
CLC19C18H214.7°0.0°
CLC19C20H222.0°0.0°
C19C20C15H22180.0°179.7°
C20C19C18H21177.5°179.7°
C8C21C22H23180.0°180.0°
C8C21C22N60.5°0.0°
C21C8N3H13166.1°139.3°
C21C8C7H12179.2°179.8°
C8C21C22H24179.5°180.0°
C21C22N6H24180.0°180.0°
C21C22N6C62.0°0.2°
N6C22C21H23179.4°179.9°
N6C6C7H12179.3°180.0°
C6N6C22H24178.0°179.7°
N6C6N2H118.5°174.6°
N1C23C24H25120.1°120.0°
N1C23C24H26120.1°120.0°
N1C23C24N59.2°58.4°
C23N1C3H748.6°173.8°
C23N1C3H8167.9°53.9°
C23N1C2H565.3°179.2°
C23N1C2H6175.0°60.6°
N1C23H25H26119.7°120.0°
N1C23C24H27179.3°178.4°
N1C23C24H2861.0°61.6°
C23C24NH27120.2°120.0°
C23C24NH28120.2°119.9°
C24C23H25H26119.7°120.1°
C23C24H27H28119.5°120.0°
C24NC1H3179.1°60.6°
C24NC1H461.2°179.3°
NC24C23H2560.9°61.6°
NC24C23H26179.3°178.4°
NC24H27H28119.5°120.1°
C24NCH58.2°176.2°
C24NCH161.8°56.2°
C24NCH2178.2°63.8°
H21C18C17H203.5°0.0°
H15C13C14H1773.9°179.9°
H15C13C14H1845.8°60.0°
H16C13C14H17166.5°60.0°
H16C13C14H1873.8°180.0°
H17C14O1H1959.8°60.0°
H18C14O1H1959.9°60.0°
H23C21C22H240.6°0.0°
H10C4C3H782.4°180.0°
H10C4C3H8158.2°60.1°
H9C4C3H736.9°60.0°
H9C4C3H882.4°180.0°
H5C2C1H356.4°58.4°
H5C2C1H4176.1°61.7°
H6C2C1H363.2°178.5°
H6C2C1H456.5°58.4°
H25C23C24H2759.2°58.4°
H25C23C24H28178.9°178.5°
H26C23C24H2760.5°61.7°
H26C23C24H2859.1°58.4°
HCH1H2120.0°120.0°

255900

PDB entries from 2026-07-01

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