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A1ESA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.53Å
C2C3sing1.53Å1.53Å
C3C4sing1.51Å1.50Å
C4O1doub1.21Å1.22Å
C4N1sing1.34Å1.40Å
N1C5sing1.34Å1.39Å
C5O2doub1.21Å1.22Å
C5C6sing1.51Å1.50Å
N1C7sing1.46Å1.47Å
C7C8sing1.53Å1.51Å
C8C9sing1.53Å1.51Å
C9C10sing1.53Å1.52Å
C10N2sing1.47Å1.47Å
N2C11sing1.47Å1.45Å
C11C12sing1.53Å1.51Å
C12N3sing1.47Å1.46Å
N3C13sing1.47Å1.46Å
C13C14sing1.53Å1.51Å
N3C15sing1.38Å1.36Å
C15N4doub1.33Å1.34ÅAromatic
N4C16sing1.32Å1.33ÅAromatic
C16C17doub1.39Å1.37ÅAromatic
C17C18sing1.39Å1.37ÅAromatic
C18N5doub1.32Å1.33ÅAromatic
C2C19sing1.53Å1.53Å
C2C6sing1.53Å1.53Å
N2C14sing1.47Å1.45Å
C15N5sing1.33Å1.34ÅAromatic
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C10H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C11H16sing1.09Å1.10Å
C11H17sing1.09Å1.10Å
C12H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C13H20sing1.09Å1.10Å
C13H21sing1.09Å1.10Å
C14H22sing1.09Å1.10Å
C14H23sing1.09Å1.10Å
C16H24sing1.08Å1.08Å
C17H25sing1.08Å1.08Å
C18H26sing1.08Å1.08Å
C19H27sing1.09Å1.10Å
C19H28sing1.09Å1.10Å
C19H29sing1.09Å1.10Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C6H6sing1.09Å1.10Å
C6H7sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
C8H10sing1.09Å1.10Å
C8H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
C9H13sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3109.8°109.6°
C1C2C19109.5°109.6°
C1C2C6109.8°109.6°
C2C1H1109.5°109.5°
C2C1H2109.4°109.5°
C2C1H3109.5°109.4°
C2C3C4114.5°109.2°
C3C2C19110.3°109.6°
C3C2C6107.5°108.5°
C2C3H4108.2°109.5°
C2C3H5108.2°109.5°
C3C4O1122.0°119.4°
C3C4N1117.6°121.3°
C4C3H4108.2°109.6°
C4C3H5108.2°109.5°
O1C4N1120.4°119.3°
C4N1C5124.7°122.5°
C4N1C7117.7°118.7°
N1C5O2120.5°119.4°
N1C5C6117.3°121.3°
C5N1C7117.6°118.7°
O2C5C6122.2°119.3°
C5C6C2114.2°109.2°
C5C6H6108.3°109.6°
C5C6H7108.3°109.5°
N1C7C8112.3°109.5°
N1C7H8108.8°109.5°
N1C7H9108.8°109.5°
C7C8C9111.2°109.5°
C8C7H8108.8°109.5°
C8C7H9108.7°109.4°
C7C8H10109.0°109.4°
C7C8H11109.0°109.4°
C8C9C10113.9°109.4°
C9C8H10109.0°109.5°
C9C8H11109.0°109.5°
C8C9H12108.4°109.5°
C8C9H13108.3°109.4°
C9C10N2112.6°109.4°
C9C10H14108.7°109.5°
C9C10H15108.7°109.5°
C10C9H12108.3°109.5°
C10C9H13108.3°109.5°
C10N2C11110.0°111.0°
C10N2C14111.9°111.0°
N2C10H14108.7°109.5°
N2C10H15108.7°109.5°
N2C11C12110.7°109.4°
C11N2C14108.4°110.9°
N2C11H16109.2°109.5°
N2C11H17109.2°109.5°
C11C12N3111.0°109.3°
C12C11H16109.2°109.5°
C12C11H17109.2°109.5°
C11C12H18109.1°109.4°
C11C12H19109.1°109.5°
C12N3C13115.5°110.9°
C12N3C15121.9°111.0°
N3C12H18109.1°109.5°
N3C12H19109.1°109.5°
N3C13C14110.6°109.4°
C13N3C15122.5°111.0°
N3C13H20109.2°109.5°
N3C13H21109.2°109.5°
C13C14N2109.9°109.4°
C14C13H20109.2°109.5°
C14C13H21109.2°109.5°
C13C14H22109.3°109.5°
C13C14H23109.3°109.5°
N3C15N4116.7°119.2°
N3C15N5116.7°119.2°
C15N4C16115.2°120.7°
N4C15N5126.7°121.6°
N4C16C17123.1°119.2°
N4C16H24118.4°120.4°
C16C17C18116.7°118.5°
C17C16H24118.4°120.4°
C16C17H25121.7°120.8°
C17C18N5123.0°119.2°
C18C17H25121.7°120.7°
C17C18H26118.5°120.4°
C18N5C15115.3°120.7°
N5C18H26118.5°120.4°
C19C2C6109.9°109.8°
C2C19H27109.5°109.5°
C2C19H28109.5°109.4°
C2C19H29109.5°109.5°
C2C6H6108.3°109.5°
C2C6H7108.3°109.5°
N2C14H22109.4°109.4°
N2C14H23109.3°109.5°
H1C1H2109.5°109.5°
H1C1H3109.5°109.5°
H2C1H3109.5°109.5°
H14C10H15109.5°109.5°
H16C11H17109.5°109.5°
H18C12H19109.5°109.5°
H20C13H21109.4°109.5°
H22C14H23109.5°109.5°
H27C19H28109.4°109.5°
H27C19H29109.5°109.5°
H28C19H29109.5°109.5°
H4C3H5109.5°109.5°
H6C6H7109.5°109.6°
H8C7H9109.5°109.5°
H10C8H11109.4°109.5°
H12C9H13109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C19120.7°120.4°
C1C2C3C6119.5°119.7°
C1C2C3C467.9°175.3°
C1C2C6C566.5°175.4°
C1C2C19C6120.7°120.5°
C2C1H1H2120.0°120.0°
C2C1H1H3120.0°119.9°
C2C1H2H3120.0°120.0°
C1C2C19H27180.0°60.0°
C1C2C19H2860.0°180.0°
C1C2C19H2960.0°60.0°
C1C2C3H4171.4°64.7°
C1C2C3H552.9°55.4°
C1C2C6H6172.9°55.4°
C1C2C6H754.2°64.8°
C2C3C4H4120.7°119.9°
C2C3C4H5120.8°119.9°
C2C3C4O1151.7°150.9°
C2C3C4N128.4°29.0°
C3C2C6C553.0°55.6°
C3C2C19C6118.4°119.1°
C3C2C1H1180.0°60.0°
C3C2C1H260.0°180.0°
C3C2C1H360.0°60.0°
C3C2C19H2759.1°60.4°
C3C2C19H28179.1°59.6°
C3C2C19H2960.9°179.6°
C2C3H4H5117.7°120.1°
C3C2C6H667.7°64.3°
C3C2C6H7173.7°175.5°
C3C4O1N1179.9°179.9°
C3C4N1C53.5°0.5°
C3C4N1C7176.7°179.5°
C4C3C2C19171.4°64.3°
C4C3C2C651.6°55.6°
C4C3H4H5117.7°120.1°
O1C4N1C5176.6°179.4°
O1C4N1C73.2°0.6°
O1C4C3H487.6°30.9°
O1C4C3H530.9°89.2°
C4N1C5C7179.7°180.0°
C4N1C5O2175.1°179.5°
C4N1C5C65.0°0.6°
C4N1C7C883.8°90.0°
N1C4C3H492.3°149.0°
N1C4C3H5149.2°90.9°
C4N1C7H8155.8°30.0°
C4N1C7H936.6°150.0°
N1C5O2C6179.9°180.0°
C5N1C7C896.0°90.0°
N1C5C6C231.3°29.2°
N1C5C6H689.4°90.8°
N1C5C6H7152.0°149.0°
C5N1C7H824.4°150.0°
C5N1C7H9143.6°30.0°
O2C5N1C74.7°0.5°
O2C5C6C2148.8°150.9°
O2C5C6H690.5°89.2°
O2C5C6H728.1°31.0°
C6C5N1C7175.3°179.4°
C5C6C2C19173.1°64.2°
C5C6C2H6120.7°120.0°
C5C6C2H7120.7°119.9°
C5C6H6H7117.9°120.2°
N1C7C8H8120.4°120.0°
N1C7C8H9120.4°120.0°
N1C7C8C9177.4°180.0°
N1C7H8H9118.8°120.0°
N1C7C8H1062.4°60.0°
N1C7C8H1157.1°60.0°
C7C8C9H10120.3°120.0°
C7C8C9H11120.3°120.0°
C7C8C9C10174.9°180.0°
C8C7H8H9118.7°120.0°
C7C8H10H11119.2°120.0°
C7C8C9H1264.4°60.0°
C7C8C9H1354.3°60.0°
C8C9C10H12120.7°120.0°
C8C9C10H13120.6°119.9°
C8C9C10N2178.7°180.0°
C8C9C10H1458.2°60.0°
C8C9C10H1560.9°60.0°
C9C8C7H856.9°60.0°
C9C8C7H962.2°60.0°
C9C8H10H11119.2°120.0°
C8C9H12H13118.0°120.0°
C9C10N2H14120.5°120.0°
C9C10N2H15120.5°120.0°
C9C10N2C1167.9°170.0°
C9C10N2C14171.5°66.2°
C9C10H14H15118.5°120.0°
C10C9C8H1054.6°60.0°
C10C9C8H1164.8°60.0°
C10C9H12H13118.0°120.1°
C10N2C11C14122.7°123.9°
C10N2C11C12174.0°176.8°
C10N2C14C13174.0°176.8°
N2C10H14H15118.6°120.0°
C10N2C11H1665.8°56.9°
C10N2C11H1753.9°63.2°
C10N2C14H2265.9°63.2°
C10N2C14H2354.0°56.8°
N2C10C9H1260.6°60.0°
N2C10C9H1358.1°60.1°
N2C11C12H16120.2°120.0°
N2C11C12H17120.2°120.0°
N2C11C12N353.5°58.4°
C11N2C14C1364.4°59.3°
C11N2C10H14171.6°70.0°
C11N2C10H1552.5°50.0°
N2C11H16H17119.5°120.1°
N2C11C12H18173.7°178.4°
N2C11C12H1966.8°61.6°
C11N2C14H2255.6°60.7°
C11N2C14H23175.5°179.3°
C11C12N3H18120.2°119.9°
C11C12N3H19120.3°120.0°
C11C12N3C1346.4°59.4°
C11C12N3C15137.5°176.8°
C12C11N2C1463.3°59.3°
C12C11H16H17119.5°120.0°
C11C12H18H19119.3°120.0°
C12N3C13C15176.1°123.8°
C12N3C13C1447.6°59.3°
C12N3C15N4154.6°180.0°
C12N3C15N524.0°0.3°
N3C12C11H1666.7°178.4°
N3C12C11H17173.7°61.6°
N3C12H18H19119.3°120.1°
C12N3C13H20167.8°60.6°
C12N3C13H2172.6°179.3°
N3C13C14H20120.2°120.0°
N3C13C14H21120.2°120.0°
C13N3C15N421.3°56.2°
N3C13C14N255.9°58.4°
C13N3C15N5160.1°124.0°
C13N3C12H18166.6°179.2°
C13N3C12H1973.9°60.7°
N3C13H20H21119.5°120.0°
N3C13C14H2264.2°61.5°
N3C13C14H23176.0°178.4°
C14C13N3C15136.3°176.8°
C13C14N2H22120.0°120.0°
C13C14N2H23120.1°120.0°
C14C13H20H21119.5°120.1°
C13C14H22H23119.8°120.1°
N3C15N4N5178.5°179.7°
N3C15N4C16179.1°179.7°
N3C15N5C18179.4°179.7°
C15N3C12H1817.3°56.9°
C15N3C12H19102.3°63.2°
C15N3C13H2016.1°63.2°
C15N3C13H21103.6°56.8°
C15N4C16C170.0°0.0°
N4C15N5C180.9°0.0°
C15N4C16H24180.0°180.0°
N4C16C17H24180.0°180.0°
N4C16C17C180.2°0.0°
C16N4C15N50.6°0.0°
N4C16C17H25179.8°180.0°
C16C17C18H25180.0°180.0°
C16C17C18N50.1°0.0°
C16C17C18H26179.9°180.0°
C17C18N5H26180.0°180.0°
C17C18N5C150.6°0.0°
C18C17C16H24179.8°180.0°
N5C18C17H25179.9°179.9°
C19C2C1H158.8°60.4°
C19C2C1H2178.8°59.6°
C19C2C1H361.2°179.6°
C2C19H27H28120.0°120.0°
C2C19H27H29120.0°120.0°
C2C19H28H29120.0°120.0°
C19C2C3H450.7°55.7°
C19C2C3H567.9°175.8°
C19C2C6H652.4°175.9°
C19C2C6H766.2°55.7°
C6C2C1H162.0°179.0°
C6C2C1H258.1°60.9°
C6C2C1H3178.0°59.0°
C6C2C19H2759.3°179.5°
C6C2C19H2860.7°59.5°
C6C2C19H29179.3°60.5°
C6C2C3H469.2°175.5°
C6C2C3H5172.3°64.3°
C2C6H6H7117.9°120.1°
C14N2C10H1451.0°53.8°
C14N2C10H1568.1°173.8°
C14N2C11H1656.9°179.2°
C14N2C11H17176.5°60.7°
N2C14C13H20176.1°61.6°
N2C14C13H2164.3°178.4°
N2C14H22H23119.8°120.0°
C15N5C18H26179.4°180.0°
H1C1H2H3120.0°120.0°
H14C10C9H12178.9°60.0°
H14C10C9H1362.4°180.0°
H15C10C9H1259.8°180.0°
H15C10C9H13178.5°59.9°
H16C11C12H1853.5°61.6°
H16C11C12H19173.1°58.4°
H17C11C12H1866.1°58.4°
H17C11C12H1953.4°178.4°
H20C13C14H2256.0°178.5°
H20C13C14H2363.9°58.4°
H21C13C14H22175.7°58.4°
H21C13C14H2355.8°61.6°
H24C16C17H250.2°0.1°
H25C17C18H260.2°0.0°
H27C19H28H29120.0°120.0°
H8C7C8H10177.2°60.0°
H8C7C8H1163.4°180.0°
H9C7C8H1058.0°180.0°
H9C7C8H11177.5°60.0°
H10C8C9H12175.3°60.0°
H10C8C9H1366.0°180.0°
H11C8C9H1255.8°179.9°
H11C8C9H13174.5°59.9°

248335

PDB entries from 2026-01-28

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