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A1H63

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C21doub1.22Å1.22Å
N5C21sing1.34Å1.37Å
N5C20sing1.38Å1.39Å
C21C2sing1.41Å1.45Å
C19C20doub1.39Å1.40ÅAromatic
C19C6sing1.38Å1.40ÅAromatic
C20C4sing1.41Å1.41ÅAromatic
C2C1sing1.51Å1.51Å
C2C3doub1.35Å1.35Å
C1Csing1.53Å1.54Å
C7C6sing1.51Å1.51Å
C7N1sing1.47Å1.46Å
C6C5doub1.39Å1.39ÅAromatic
C11N1sing1.47Å1.48Å
C11C10sing1.53Å1.52Å
N1C8sing1.47Å1.48Å
C4C3sing1.47Å1.44Å
C4Ndoub1.33Å1.35ÅAromatic
C10N2sing1.47Å1.47Å
C5Nsing1.31Å1.34ÅAromatic
C8C9sing1.53Å1.53Å
N2C9sing1.47Å1.47Å
N2C12sing1.39Å1.42Å
C13C12doub1.39Å1.39ÅAromatic
C13C14sing1.38Å1.38ÅAromatic
C12C16sing1.39Å1.39ÅAromatic
C14C15doub1.39Å1.39ÅAromatic
C16N3doub1.31Å1.35ÅAromatic
C15N3sing1.33Å1.34ÅAromatic
C15C17sing1.48Å1.51Å
OC17doub1.22Å1.23Å
C17N4sing1.35Å1.33Å
N4C18sing1.46Å1.45Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C3H3sing1.08Å1.08Å
C7H4sing1.09Å1.10Å
C7H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C8H7sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C13H14sing1.08Å1.08Å
C14H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C19H17sing1.08Å1.08Å
CH18sing1.09Å1.10Å
CH19sing1.09Å1.10Å
CH20sing1.09Å1.10Å
N5H21sing0.97Å1.00Å
C5H22sing1.08Å1.08Å
N4H24sing0.97Å1.00Å
C18H25sing1.09Å1.10Å
C18H26sing1.09Å1.10Å
C18H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C21N5119.8°119.2°
O1C21C2124.2°119.3°
C21N5C20125.7°120.9°
N5C21C2116.0°121.5°
C21N5H21117.1°119.5°
N5C20C19122.3°121.1°
N5C20C4118.2°119.9°
C20N5H21117.2°119.5°
C21C2C1117.0°119.8°
C21C2C3119.6°120.3°
C20C19C6119.0°118.2°
C19C20C4119.5°119.1°
C20C19H17120.5°120.9°
C19C6C7121.9°120.2°
C19C6C5117.5°119.6°
C6C19H17120.5°120.9°
C20C4C3117.1°118.8°
C20C4N121.1°120.3°
C1C2C3123.4°119.9°
C2C1C115.5°109.5°
C2C1H1108.0°109.5°
C2C1H2108.0°109.4°
C2C3C4123.5°118.6°
C2C3H3118.2°120.7°
CC1H1107.9°109.5°
CC1H2107.9°109.4°
C1CH18109.5°109.5°
C1CH19109.5°109.4°
C1CH20109.5°109.5°
C6C7N1117.6°109.5°
C7C6C5120.5°120.2°
C6C7H4107.4°109.5°
C6C7H5107.4°109.5°
C7N1C11109.0°111.0°
C7N1C8112.2°111.0°
N1C7H4107.4°109.5°
N1C7H5107.4°109.4°
C6C5N124.5°121.3°
C6C5H22117.7°119.4°
N1C11C10111.0°109.4°
C11N1C8109.4°110.9°
N1C11H12109.1°109.5°
N1C11H13109.1°109.5°
C11C10N2110.6°109.3°
C11C10H10109.2°109.5°
C11C10H11109.2°109.5°
C10C11H12109.1°109.5°
C10C11H13109.1°109.5°
N1C8C9110.0°109.4°
N1C8H6109.3°109.5°
N1C8H7109.3°109.5°
C3C4N121.8°120.9°
C4C3H3118.3°120.7°
C4NC5118.3°121.4°
C10N2C9112.9°110.9°
C10N2C12119.7°111.0°
N2C10H10109.2°109.5°
N2C10H11109.2°109.5°
NC5H22117.7°119.3°
C8C9N2110.3°109.3°
C9C8H6109.3°109.5°
C9C8H7109.3°109.5°
C8C9H8109.3°109.5°
C8C9H9109.3°109.5°
C9N2C12118.1°111.0°
N2C9H8109.2°109.5°
N2C9H9109.2°109.5°
N2C12C13121.5°120.4°
N2C12C16121.1°120.4°
C12C13C14120.1°118.4°
C13C12C16117.4°119.2°
C12C13H14120.0°120.8°
C13C14C15118.3°119.2°
C14C13H14120.0°120.8°
C13C14H15120.9°120.4°
C12C16N3123.5°120.8°
C12C16H16118.2°119.6°
C14C15N3122.9°120.7°
C14C15C17119.7°119.6°
C15C14H15120.9°120.4°
C16N3C15117.8°121.7°
N3C16H16118.3°119.6°
N3C15C17117.4°119.7°
C15C17O121.3°120.0°
C15C17N4115.6°120.0°
OC17N4123.1°120.0°
C17N4C18122.0°120.0°
C17N4H24119.0°119.9°
C18N4H24119.0°120.1°
N4C18H25109.5°109.5°
N4C18H26109.5°109.5°
N4C18H27109.5°109.5°
H1C1H2109.4°109.5°
H4C7H5109.4°109.5°
H6C8H7109.5°109.5°
H8C9H9109.5°109.5°
H10C10H11109.4°109.5°
H12C11H13109.5°109.5°
H18CH19109.4°109.4°
H18CH20109.5°109.5°
H19CH20109.4°109.5°
H25C18H26109.5°109.5°
H25C18H27109.4°109.4°
H26C18H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C21N5C2179.9°180.0°
O1C21N5C20179.7°180.0°
O1C21C2C10.2°0.0°
O1C21C2C3179.8°179.8°
O1C21N5H210.3°0.1°
C21N5C20H21180.0°179.9°
C21N5C20C19179.7°180.0°
C21N5C20C40.5°0.2°
N5C21C2C1180.0°180.0°
N5C21C2C30.3°0.2°
C20N5C21C20.4°0.0°
N5C20C19C4179.8°179.7°
N5C20C19C6179.3°179.8°
N5C20C4C30.5°0.2°
N5C20C4N179.9°180.0°
N5C20C19H170.6°0.3°
C21C2C1C3179.6°179.8°
C21C2C1C176.4°85.3°
C21C2C3C40.4°0.3°
C21C2C1H155.6°34.7°
C21C2C1H262.7°154.8°
C21C2C3H3179.6°179.8°
C2C21N5H21179.6°179.9°
C20C19C6H17180.0°179.5°
C20C19C6C7178.7°180.0°
C20C19C6C51.0°0.4°
C19C20C4C3179.7°180.0°
C19C20C4N0.1°0.2°
C19C20N5H210.3°0.0°
C6C19C20C40.5°0.5°
C19C6C7C5177.6°179.5°
C19C6C7N186.6°90.0°
C19C6C5N1.0°0.2°
C19C6C7H434.6°150.0°
C19C6C7H5152.2°30.0°
C19C6C5H22179.0°180.0°
C20C4C3C20.5°0.0°
C20C4C3N179.6°179.8°
C20C4NC50.1°0.0°
C20C4C3H3179.5°180.0°
C4C20C19H17179.6°180.0°
C4C20N5H21179.5°179.7°
C2C1CH1120.9°120.0°
C2C1CH2120.9°119.9°
C1C2C3C4180.0°180.0°
C2C1H1H2117.3°120.0°
C1C2C3H30.0°0.0°
C2C1CH18180.0°60.0°
C2C1CH1960.0°180.0°
C2C1CH2060.0°60.0°
C3C2C1C3.2°95.0°
C2C3C4H3180.0°179.9°
C2C3C4N179.9°179.8°
C3C2C1H1124.1°145.0°
C3C2C1H2117.7°25.0°
CC1H1H2117.2°120.0°
C1CH18H19120.0°119.9°
C1CH18H20120.0°120.1°
C1CH19H20120.0°120.1°
C6C7N1H4121.2°120.0°
C6C7N1H5121.2°120.0°
C6C7N1C11177.3°170.0°
C6C7N1C861.4°66.2°
C7C6C5N178.8°179.7°
C6C7H4H5116.3°120.1°
C7C6C19H171.4°0.5°
C7C6C5H221.3°0.5°
N1C7C6C595.8°90.5°
C7N1C11C8123.0°123.9°
C7N1C11C10177.8°176.8°
C7N1C8C9179.2°176.8°
N1C7H4H5116.3°119.9°
C7N1C8H660.7°56.8°
C7N1C8H759.1°63.2°
C7N1C11H1257.6°63.2°
C7N1C11H1361.9°56.8°
C6C5NC40.5°0.0°
C6C5NH22180.0°179.8°
C5C6C7H4143.0°29.5°
C5C6C7H525.4°149.5°
C5C6C19H17179.0°180.0°
N1C11C10H12120.2°120.0°
N1C11C10H13120.3°120.0°
N1C11C10N255.6°58.4°
C11N1C8C959.7°59.3°
C11N1C7H456.1°50.0°
C11N1C7H561.5°70.0°
C11N1C8H660.3°179.3°
C11N1C8H7179.8°60.7°
N1C11C10H1064.6°61.6°
N1C11C10H11175.8°178.4°
N1C11H12H13119.3°120.1°
C10C11N1C859.2°59.3°
C11C10N2H10120.2°119.9°
C11C10N2H11120.2°120.0°
C11C10N2C953.7°59.3°
C11C10N2C12160.3°176.8°
C11C10H10H11119.5°120.0°
C10C11H12H13119.3°120.0°
N1C8C9H6120.1°120.0°
N1C8C9H7120.1°120.0°
N1C8C9N257.3°58.4°
C8N1C7H4177.4°173.8°
C8N1C7H559.8°53.8°
N1C8H6H7119.8°120.1°
N1C8C9H8177.4°178.4°
N1C8C9H962.8°61.6°
C8N1C11H12179.4°60.7°
C8N1C11H1361.1°179.3°
C3C4NC5179.7°179.8°
NC4C3H30.1°0.2°
C4NC5H22179.5°179.8°
C10N2C9C854.7°59.3°
C10N2C9C12146.6°123.8°
C10N2C12C139.2°179.7°
C10N2C12C16170.9°0.0°
C10N2C9H8174.8°179.3°
C10N2C9H965.5°60.6°
N2C10H10H11119.5°120.1°
N2C10C11H12175.9°61.6°
N2C10C11H1364.6°178.4°
C8C9N2H8120.2°120.0°
C8C9N2H9120.1°120.0°
C8C9N2C12158.7°176.9°
C9C8H6H7119.7°120.0°
C8C9H8H9119.6°120.1°
C9N2C12C13135.1°56.0°
C9N2C12C1644.8°123.8°
N2C9C8H662.8°178.4°
N2C9C8H7177.4°61.6°
N2C9H8H9119.6°120.0°
C9N2C10H1066.5°60.6°
C9N2C10H11173.9°179.3°
N2C12C13C16179.9°179.8°
N2C12C13C14180.0°179.8°
N2C12C16N3179.8°179.8°
C12N2C9H838.6°56.9°
C12N2C9H981.1°63.2°
C12N2C10H1079.5°63.2°
C12N2C10H1140.1°56.9°
N2C12C13H140.0°0.3°
N2C12C16H160.2°0.3°
C12C13C14H14180.0°180.0°
C12C13C14C150.2°0.0°
C13C12C16N30.1°0.0°
C12C13C14H15179.8°180.0°
C13C12C16H16179.9°180.0°
C14C13C12C160.2°0.0°
C13C14C15H15180.0°179.9°
C13C14C15N30.0°0.0°
C13C14C15C17179.8°180.0°
C12C16N3H16180.0°179.9°
C12C16N3C150.3°0.1°
C16C12C13H14179.9°180.0°
C14C15N3C160.3°0.1°
C14C15N3C17179.9°180.0°
C14C15C17O1.1°0.0°
C14C15C17N4179.2°180.0°
C15C14C13H14179.8°180.0°
C16N3C15C17179.6°179.9°
N3C15C17O178.8°180.0°
N3C15C17N40.9°0.0°
N3C15C14H15179.9°180.0°
C15N3C16H16179.7°180.0°
C15C17ON4179.6°180.0°
C15C17N4C18175.9°180.0°
C17C15C14H150.2°0.0°
C15C17N4H244.1°0.0°
OC17N4C184.4°0.1°
OC17N4H24175.5°180.0°
C17N4C18H24180.0°180.0°
C17N4C18H25180.0°180.0°
C17N4C18H2660.0°60.0°
C17N4C18H2760.0°60.1°
N4C18H25H26120.0°120.0°
N4C18H25H27120.0°120.0°
N4C18H26H27120.0°120.0°
H1C1CH1859.1°60.0°
H1C1CH19179.1°60.0°
H1C1CH2060.9°180.0°
H2C1CH1859.1°180.0°
H2C1CH1960.9°60.1°
H2C1CH20179.1°60.0°
H6C8C9H857.4°61.6°
H6C8C9H9177.1°58.5°
H7C8C9H862.5°58.4°
H7C8C9H957.3°178.4°
H10C10C11H1255.7°178.4°
H10C10C11H13175.2°58.4°
H11C10C11H1263.9°58.4°
H11C10C11H1355.6°61.6°
H14C13C14H150.1°0.1°
H18CH19H20120.0°120.0°
H24N4C18H250.0°0.0°
H24N4C18H26120.0°120.0°
H24N4C18H27120.0°120.0°
H25C18H26H27120.0°119.9°

251801

PDB entries from 2026-04-08

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