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A1B0B

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OCsing1.35Å1.26Å
O1Cdoub1.22Å1.19Å
CC1sing1.48Å1.48Å
C1C2doub1.40Å1.39ÅAromatic
C2C3sing1.38Å1.38ÅAromatic
C4C3doub1.41Å1.40ÅAromatic
C4C5sing1.41Å1.41ÅAromatic
C5Ndoub1.30Å1.32ÅAromatic
NN1sing1.40Å1.36ÅAromatic
N1C6sing1.37Å1.35ÅAromatic
C6C4sing1.41Å1.40ÅAromatic
C7C6doub1.39Å1.38ÅAromatic
C1C7sing1.39Å1.38ÅAromatic
C3N2sing1.39Å1.36Å
N2C8sing1.47Å1.45Å
C8C9sing1.53Å1.53Å
C9C10sing1.53Å1.50Å
C10N3sing1.46Å1.45Å
N3C11sing1.35Å1.31Å
O2C11doub1.21Å1.22Å
C11C12sing1.51Å1.52Å
C12C13sing1.53Å1.52Å
C13N4sing1.47Å1.47Å
N4C14sing1.47Å1.47Å
C14C15sing1.51Å1.51Å
C15C16doub1.38Å1.38ÅAromatic
C16C17sing1.38Å1.38ÅAromatic
C17C18doub1.39Å1.39ÅAromatic
C18C19sing1.40Å1.40ÅAromatic
C20C19doub1.38Å1.38ÅAromatic
C15C20sing1.38Å1.39ÅAromatic
C19CLsing1.74Å1.74Å
C21C18sing1.48Å1.49Å
C21C22doub1.39Å1.39ÅAromatic
C22C23sing1.38Å1.39ÅAromatic
C23C24doub1.38Å1.37ÅAromatic
C24C25sing1.38Å1.37ÅAromatic
C25C26doub1.38Å1.39ÅAromatic
C26C21sing1.39Å1.39ÅAromatic
C26H27sing1.08Å1.08Å
C25H26sing1.08Å1.08Å
C24H25sing1.08Å1.08Å
C23H24sing1.08Å1.08Å
C22H23sing1.08Å1.08Å
C17H21sing1.08Å1.08Å
C16H20sing1.08Å1.08Å
C20H22sing1.08Å1.08Å
C14H19sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
N4H17sing1.01Å1.00Å
C13H16sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
N3H12sing0.97Å1.00Å
C10H11sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
N2H5sing0.97Å1.00Å
C2H2sing1.08Å1.08Å
N1Hsing0.97Å1.00Å
C5H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
OH1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OCO1124.3°120.0°
OCC1113.1°120.0°
COH1109.5°117.0°
O1CC1122.5°120.0°
CC1C2120.5°119.9°
CC1C7119.3°119.8°
C1C2C3121.6°120.3°
C2C1C7120.2°120.3°
C1C2H2119.2°119.8°
C2C3C4118.6°119.8°
C2C3N2120.2°120.1°
C3C2H2119.2°119.8°
C3C4C5136.3°133.4°
C3C4C6118.9°119.7°
C4C3N2121.0°120.1°
C4C5N111.1°108.7°
C5C4C6104.4°106.9°
C4C5H3124.5°125.6°
C5NN1106.1°109.8°
NC5H3124.4°125.6°
NN1C6111.8°108.0°
NN1H124.1°126.0°
N1C6C4106.5°106.6°
N1C6C7131.2°133.5°
C6N1H124.1°126.0°
C4C6C7122.2°120.0°
C6C7C1118.4°119.9°
C6C7H4120.8°120.1°
C1C7H4120.8°120.1°
C3N2C8122.1°120.0°
C3N2H5106.2°120.0°
N2C8C9108.8°109.5°
N2C8H7109.7°109.4°
N2C8H6109.7°109.5°
C8N2H5106.3°120.0°
C8C9C10117.7°109.5°
C8C9H8107.4°109.5°
C8C9H9107.4°109.5°
C9C8H7109.7°109.5°
C9C8H6109.6°109.5°
C9C10N3112.0°109.5°
C9C10H11108.8°109.5°
C9C10H10108.8°109.5°
C10C9H8107.4°109.5°
C10C9H9107.4°109.5°
C10N3C11123.4°120.0°
C10N3H12118.3°120.0°
N3C10H11108.8°109.4°
N3C10H10108.8°109.5°
N3C11O2123.0°120.0°
N3C11C12114.2°120.0°
C11N3H12118.3°120.0°
O2C11C12122.8°120.0°
C11C12C13115.0°109.4°
C11C12H13108.0°109.5°
C11C12H14108.1°109.4°
C12C13N4114.1°109.5°
C12C13H16108.3°109.5°
C12C13H15108.3°109.5°
C13C12H13108.1°109.5°
C13C12H14108.1°109.5°
C13N4C14112.4°111.0°
C13N4H17108.8°111.0°
N4C13H16108.3°109.5°
N4C13H15108.3°109.5°
N4C14C15113.1°109.5°
N4C14H19108.5°109.5°
N4C14H18108.6°109.4°
C14N4H17108.7°111.0°
C14C15C16120.3°119.9°
C14C15C20121.5°119.9°
C15C14H19108.6°109.5°
C15C14H18108.5°109.5°
C15C16C17121.4°120.1°
C16C15C20118.2°120.3°
C15C16H20119.3°119.9°
C16C17C18121.3°119.9°
C16C17H21119.3°120.1°
C17C16H20119.3°119.9°
C17C18C19116.8°119.8°
C17C18C21116.7°120.1°
C18C17H21119.3°120.1°
C18C19C20121.6°119.8°
C18C19CL121.1°120.1°
C19C18C21126.5°120.1°
C19C20C15120.6°120.1°
C20C19CL117.1°120.1°
C19C20H22119.7°119.9°
C15C20H22119.7°119.9°
C18C21C22121.5°120.1°
C18C21C26120.7°120.1°
C21C22C23120.9°119.9°
C22C21C26117.8°119.7°
C21C22H23119.6°120.1°
C22C23C24120.4°120.1°
C22C23H24119.8°119.9°
C23C22H23119.6°120.0°
C23C24C25119.6°120.3°
C23C24H25120.2°119.9°
C24C23H24119.8°119.9°
C24C25C26120.3°120.1°
C24C25H26119.9°120.0°
C25C24H25120.2°119.8°
C25C26C21120.9°119.9°
C25C26H27119.5°120.0°
C26C25H26119.8°120.0°
C21C26H27119.6°120.1°
H19C14H18109.5°109.5°
H16C13H15109.5°109.5°
H13C12H14109.5°109.5°
H11C10H10109.5°109.5°
H8C9H9109.5°109.5°
H7C8H6109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OCO1C1178.3°180.0°
OCC1C2176.9°180.0°
OCC1C72.8°0.0°
O1CC1C24.6°0.0°
O1CC1C7175.7°180.0°
O1COH10.0°0.0°
CC1C2C7179.6°180.0°
CC1C2C3178.6°179.9°
CC1C7C6179.5°180.0°
CC1C2H21.5°0.0°
CC1C7H40.5°0.0°
C1COH1178.5°179.9°
C1C2C3H2180.0°180.0°
C1C2C3C43.4°0.1°
C2C1C7C60.9°0.0°
C1C2C3N2171.6°180.0°
C2C1C7H4179.1°180.0°
C2C3C4N2174.9°179.9°
C2C3C4C5175.3°179.9°
C2C3C4C63.6°0.0°
C3C2C1C71.1°0.1°
C2C3N2C80.4°0.0°
C2C3N2H5121.4°180.0°
C3C4C5C6172.5°179.9°
C3C4C5N172.8°180.0°
C3C4C6N1175.1°180.0°
C3C4C6C71.8°0.0°
C4C3N2C8174.5°180.0°
C4C3N2H563.8°0.1°
C4C3C2H2176.6°179.9°
C3C4C5H37.2°0.0°
C4C5NH3180.0°180.0°
C4C5NN10.6°0.0°
C5C4C6N11.1°0.1°
C5C4C6C7175.8°180.0°
C5C4C3N20.3°0.0°
C5NN1C61.3°0.1°
NC5C4C60.3°0.0°
C5NN1H178.7°180.0°
NN1C6H180.0°179.9°
NN1C6C41.5°0.1°
NN1C6C7175.0°180.0°
N1NC5H3179.4°180.0°
N1C6C4C7176.9°180.0°
N1C6C7C1176.6°180.0°
N1C6C7H43.5°0.0°
C4C6C7C10.5°0.0°
C6C4C3N2171.3°179.9°
C4C6N1H178.5°180.0°
C6C4C5H3179.7°180.0°
C4C6C7H4179.5°180.0°
C6C7C1H4180.0°180.0°
C7C6N1H5.0°0.1°
C7C1C2H2178.9°179.9°
C3N2C8H5121.8°180.0°
C3N2C8C991.8°180.0°
C3N2C8H728.1°60.0°
C3N2C8H6148.4°60.0°
N2C3C2H28.4°0.0°
N2C8C9H7119.9°120.0°
N2C8C9H6119.9°120.0°
N2C8C9C10174.8°180.0°
N2C8C9H853.6°60.0°
N2C8C9H964.1°60.0°
N2C8H7H6120.4°120.0°
C8C9C10H8121.1°120.0°
C8C9C10H9121.2°120.0°
C8C9C10N3179.6°180.0°
C8C9C10H1160.0°60.0°
C8C9C10H1059.3°60.0°
C8C9H8H9116.3°120.0°
C9C8H7H6120.3°120.0°
C9C8N2H5146.5°0.0°
C9C10N3H11120.4°120.0°
C9C10N3H10120.4°120.0°
C9C10N3C1173.0°180.0°
C9C10N3H12107.0°0.1°
C9C10H11H10118.9°120.0°
C10C9H8H9116.3°120.0°
C10C9C8H765.4°60.0°
C10C9C8H654.8°60.0°
C10N3C11H12180.0°179.9°
C10N3C11O22.3°0.0°
C10N3C11C12179.4°180.0°
N3C10H11H10118.8°120.0°
N3C10C9H858.5°60.0°
N3C10C9H959.2°60.0°
N3C11O2C12178.1°180.0°
N3C11C12C13177.6°180.0°
N3C11C12H1356.8°60.0°
N3C11C12H1461.6°60.0°
C11N3C10H11166.6°60.0°
C11N3C10H1047.4°60.0°
O2C11C12C134.1°0.0°
O2C11C12H13124.9°120.0°
O2C11C12H14116.7°120.0°
O2C11N3H12177.7°180.0°
C11C12C13H13120.8°120.0°
C11C12C13H14120.8°119.9°
C11C12C13N4178.5°180.0°
C11C12C13H1660.9°60.0°
C11C12C13H1557.8°60.0°
C11C12H13H14117.5°120.0°
C12C11N3H120.5°0.0°
C12C13N4H16120.7°120.0°
C12C13N4H15120.7°120.0°
C12C13N4C14160.9°180.0°
C12C13N4H1740.4°56.1°
C12C13H16H15117.9°120.0°
C13C12H13H14117.5°120.0°
C13N4C14H17120.5°123.9°
C13N4C14C15178.3°180.0°
C13N4C14H1961.1°60.0°
C13N4C14H1857.8°60.0°
N4C13H16H15117.9°120.0°
N4C13C12H1357.7°60.0°
N4C13C12H1460.7°60.1°
N4C14C15H19120.5°120.0°
N4C14C15H18120.5°120.0°
N4C14C15C1665.1°89.9°
N4C14C15C20117.2°89.7°
N4C14H19H18118.3°119.9°
C14N4C13H1678.5°60.0°
C14N4C13H1540.2°60.0°
C14C15C16C20177.7°179.7°
C14C15C16C17176.3°180.0°
C14C15C20C19175.2°179.7°
C14C15C16H203.7°0.1°
C14C15C20H224.9°0.1°
C15C14H19H18118.3°120.0°
C15C14N4H1757.9°56.1°
C15C16C17H20180.0°179.9°
C15C16C17C180.1°0.1°
C16C15C20C192.5°0.6°
C15C16C17H21179.9°180.0°
C16C15C20H22177.5°179.8°
C16C15C14H19174.3°150.0°
C16C15C14H1855.4°30.0°
C16C17C18H21180.0°180.0°
C16C17C18C190.1°0.0°
C17C16C15C201.4°0.4°
C16C17C18C21179.6°180.0°
C17C18C19C21179.6°180.0°
C17C18C19C201.1°0.3°
C17C18C19CL174.6°180.0°
C17C18C21C2265.3°50.0°
C17C18C21C26115.6°130.3°
C18C17C16H20179.9°180.0°
C18C19C20CL175.8°179.7°
C18C19C20C152.4°0.6°
C19C18C21C22114.3°130.0°
C19C18C21C2664.8°49.7°
C19C18C17H21179.9°180.0°
C18C19C20H22177.6°179.8°
C19C20C15H22180.0°179.6°
C20C19C18C21179.3°179.7°
C15C20C19CL173.4°179.7°
C20C15C16H20178.6°179.7°
C20C15C14H193.3°30.3°
C20C15C14H18122.2°150.3°
CLC19C18C215.0°0.0°
CLC19C20H226.6°0.1°
C18C21C22C26179.1°179.7°
C18C21C22C23177.2°179.7°
C18C21C26C25179.7°180.0°
C18C21C26H270.3°0.1°
C18C21C22H232.8°0.0°
C21C18C17H210.4°0.0°
C21C22C23H23180.0°179.7°
C21C22C23C243.1°0.6°
C22C21C26C251.2°0.3°
C22C21C26H27178.9°179.8°
C21C22C23H24176.9°179.7°
C22C23C24H24180.0°179.7°
C22C23C24C251.1°0.4°
C23C22C21C261.9°0.6°
C22C23C24H25178.9°179.7°
C23C24C25H25180.0°179.9°
C23C24C25C262.0°0.1°
C23C24C25H26178.0°179.9°
C24C23C22H23176.9°179.6°
C24C25C26H26180.0°180.0°
C24C25C26C213.2°0.0°
C24C25C26H27176.9°180.0°
C25C24C23H24179.0°180.0°
C25C26C21H27180.0°180.0°
C26C25C24H25178.0°180.0°
C21C26C25H26176.8°180.0°
C26C21C22H23178.1°179.7°
H27C26C25H263.2°0.0°
H26C25C24H252.0°0.0°
H25C24C23H241.1°0.1°
H24C23C22H233.1°0.0°
H21C17C16H200.1°0.1°
H19C14N4H17178.4°64.0°
H18C14N4H1762.7°176.1°
H17N4C13H16161.1°63.9°
H17N4C13H1580.3°176.1°
H16C13C12H13178.3°180.0°
H16C13C12H1460.0°59.9°
H15C13C12H1363.0°60.0°
H15C13C12H14178.6°179.9°
H12N3C10H1113.4°120.0°
H12N3C10H10132.6°120.0°
H11C10C9H8178.9°180.0°
H11C10C9H961.2°60.0°
H10C10C9H861.9°60.0°
H10C10C9H9179.6°180.0°
H8C9C8H7173.5°180.0°
H8C9C8H666.3°60.1°
H9C9C8H755.8°60.0°
H9C9C8H6176.0°180.0°
H7C8N2H593.6°120.1°
H6C8N2H526.6°120.0°

250835

PDB entries from 2026-03-18

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