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A1JQX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.37Å1.39Å
C2C3sing1.40Å1.38Å
C3C4doub1.36Å1.35Å
C4N1sing1.35Å1.37Å
N1C5sing1.36Å1.40Å
C1C5sing1.41Å1.40Å
C1N2sing1.40Å1.40Å
N1C6sing1.46Å1.48Å
C6C7sing1.53Å1.53Å
C6C8sing1.51Å1.54Å
C7C9sing1.53Å1.50Å
C9C10sing1.53Å1.50Å
C10C11sing1.53Å1.50Å
C9C11sing1.53Å1.50Å
N2C12sing1.35Å1.35Å
C12C13sing1.51Å1.50Å
C13C14sing1.53Å1.48Å
C14C15sing1.51Å1.54Å
C8O1doub1.21Å1.26Å
C8N3sing1.36Å1.31Å
N3C16sing1.48Å1.45Å
C16C17sing1.51Å1.52Å
C16C18sing1.53Å1.54Å
C17N4doub1.28Å1.28Å
C15C19doub1.31Å1.49Å
C19C20sing1.51Å1.52Å
C18C21sing1.53Å1.50Å
C21C22sing1.51Å1.52Å
C22O2doub1.21Å1.23Å
C22N5sing1.37Å1.33Å
C20N5sing1.48Å1.47Å
C5O3doub1.22Å1.22Å
C12O4doub1.21Å1.22Å
N3H19sing0.97Å1.00Å
C4H3sing1.08Å1.08Å
C6H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
C15H17sing1.08Å1.08Å
C17H21sing1.08Å1.08Å
C20H27sing1.09Å1.10Å
C20H28sing1.09Å1.10Å
C21H29sing1.09Å1.10Å
C21H30sing1.09Å1.10Å
C2H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
N2H4sing0.98Å1.00Å
C9H8sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C18H23sing1.09Å1.10Å
N4H24sing0.97Å1.00Å
C19H25sing1.08Å1.08Å
N5H31sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3118.3°119.3°
C2C1C5121.7°118.5°
C2C1N2121.7°119.1°
C1C2H1120.8°120.0°
C2C3C4120.4°120.3°
C3C2H1120.8°120.6°
C2C3H2119.8°120.2°
C3C4N1122.0°120.8°
C3C4H3119.0°116.6°
C4C3H2119.8°119.5°
C4N1C5120.0°119.8°
C4N1C6119.1°122.5°
N1C4H3119.0°122.5°
N1C5C1117.4°120.6°
C5N1C6120.9°117.7°
N1C5O3119.8°118.6°
C5C1N2116.6°122.3°
C1C5O3122.2°120.7°
C1N2C12126.8°122.2°
C1N2H4116.6°118.9°
N1C6C7112.5°111.8°
N1C6C8113.7°109.5°
N1C6H5107.4°109.1°
C7C6C8109.3°108.5°
C6C7C9114.4°109.5°
C7C6H5106.8°109.1°
C6C7H6108.2°109.5°
C6C7H7108.2°109.5°
C6C8O1125.3°120.2°
C6C8N3114.6°118.8°
C8C6H5106.7°108.7°
C7C9C10119.8°117.5°
C7C9C11119.7°117.4°
C9C7H6108.2°109.4°
C9C7H7108.2°109.5°
C7C9H8115.3°115.5°
C9C10C1160.0°60.0°
C10C9C1160.1°60.0°
C9C10H10120.0°117.5°
C9C10H9120.0°117.5°
C10C9H8115.4°117.5°
C10C11C959.9°60.0°
C11C10H10120.0°117.6°
C11C10H9120.0°117.5°
C10C11H11120.0°117.5°
C10C11H12120.0°117.5°
C11C9H8115.4°117.5°
C9C11H11120.0°117.5°
C9C11H12120.0°117.6°
N2C12C13116.5°119.3°
N2C12O4122.1°121.6°
C12N2H4116.7°118.9°
C12C13C14109.7°109.3°
C13C12O4121.3°119.2°
C12C13H13109.4°109.4°
C12C13H14109.4°109.4°
C13C14C15114.5°109.3°
C14C13H13109.4°109.5°
C14C13H14109.4°109.5°
C13C14H15108.2°109.7°
C13C14H16108.2°109.5°
C14C15C19116.2°120.0°
C14C15H17121.9°120.0°
C15C14H15108.2°109.5°
C15C14H16108.2°109.5°
O1C8N3120.1°121.1°
C8N3C16124.1°116.8°
C8N3H19118.0°121.7°
N3C16C17113.7°109.4°
N3C16C18110.0°108.9°
C16N3H19117.9°121.6°
N3C16H20109.7°109.9°
C17C16C18106.0°109.5°
C16C17N4124.3°120.1°
C16C17H21117.8°120.0°
C17C16H20108.7°109.6°
C16C18C21113.0°109.5°
C18C16H20108.5°109.6°
C16C18H22108.6°109.2°
C16C18H23108.6°109.5°
N4C17H21117.9°120.0°
C17N4H24112.0°120.0°
C15C19C20117.4°119.8°
C19C15H17121.9°120.0°
C15C19H25121.3°120.1°
C19C20N5113.6°108.5°
C19C20H27108.4°109.6°
C19C20H28108.4°109.5°
C20C19H25121.3°120.2°
C18C21C22108.7°109.8°
C18C21H29109.7°109.7°
C18C21H30109.7°109.4°
C21C18H22108.6°109.4°
C21C18H23108.6°110.0°
C21C22O2121.9°120.9°
C21C22N5117.3°118.4°
C22C21H29109.6°109.4°
C22C21H30109.6°109.4°
O2C22N5120.8°120.7°
C22N5C20129.7°115.0°
C22N5H31115.2°122.5°
N5C20H27108.4°109.7°
N5C20H28108.4°109.8°
C20N5H31115.2°122.5°
H6C7H7109.5°109.5°
H10C10H9109.5°115.5°
H13C13H14109.5°109.7°
H27C20H28109.5°109.6°
H29C21H30109.5°109.3°
H11C11H12109.5°115.5°
H15C14H16109.5°109.4°
H22C18H23109.5°109.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3H1180.0°180.0°
C1C2C3C42.1°1.4°
C2C1C5N16.0°6.5°
C2C1C5N2178.3°178.4°
C2C1N2C1237.4°152.3°
C2C1C5O3177.0°172.5°
C1C2C3H2177.9°178.5°
C2C1N2H4142.6°27.6°
C2C3C4H2180.0°179.9°
C2C3C4N10.3°1.7°
C3C2C1C55.1°0.9°
C3C2C1N2176.7°179.3°
C2C3C4H3179.7°177.6°
C3C4N1H3180.0°179.3°
C3C4N1C51.3°7.3°
C3C4N1C6178.4°173.6°
C4C3C2H1177.8°178.5°
C4N1C5C6179.7°179.2°
C4N1C5C14.0°9.7°
C4N1C6C731.5°11.9°
C4N1C6C893.6°132.3°
C4N1C5O3175.2°169.3°
C4N1C6H5148.7°108.8°
N1C4C3H2179.7°178.4°
N1C5C1O3171.0°179.0°
N1C5C1N2175.7°175.1°
C5N1C6C7148.9°169.0°
C5N1C6C886.1°48.6°
C5N1C4H3178.7°172.0°
C5N1C6H531.6°70.3°
C1C5N1C6175.7°171.1°
C5C1N2C12144.3°29.3°
C5C1C2H1174.9°179.1°
C5C1N2H435.7°150.8°
C1N2C12H4180.0°179.9°
C1N2C12C13167.8°171.9°
N2C1C5O34.7°5.9°
C1N2C12O48.5°9.9°
N2C1C2H13.3°0.7°
N1C6C7C8127.4°120.9°
N1C6C7H5117.6°120.8°
N1C6C8H5118.1°119.2°
N1C6C7C964.5°67.8°
N1C6C8O197.1°36.0°
N1C6C8N383.4°144.2°
C6N1C5O34.5°9.8°
C6N1C4H31.6°7.2°
N1C6C7H656.2°52.1°
N1C6C7H7174.8°172.1°
C7C6C8H5115.1°118.5°
C6C7C9H6120.7°120.0°
C6C7C9H7120.7°120.0°
C6C7C9C10155.1°173.8°
C6C7C9C1184.7°117.5°
C7C6C8O129.6°86.3°
C7C6C8N3149.9°93.5°
C6C7H6H7117.7°120.0°
C6C7C9H859.9°28.1°
C8C6C7C9168.1°171.2°
C6C8O1N3179.5°179.9°
C6C8N3C16168.0°177.4°
C6C8N3H1912.0°2.6°
C8C6C7H671.2°68.8°
C8C6C7H747.4°51.2°
C7C9C10C11109.2°107.4°
C7C9C10H8144.9°145.1°
C7C9C11H8144.7°144.9°
C9C7C6H553.1°52.9°
C9C7H6H7117.7°120.0°
C7C9C10H10141.3°145.0°
C7C9C10H90.3°0.0°
C7C9C11H11141.2°145.0°
C7C9C11H120.0°0.1°
C9C10C11H10109.5°107.5°
C9C10C11H9109.4°107.5°
C10C9C11H8106.0°107.5°
C10C9C7H684.2°53.9°
C10C9C7H734.4°66.1°
C9C10H10H9144.7°145.7°
C10C9C11H11109.4°107.5°
C10C9C11H12109.4°107.5°
C11C10H10H9144.7°145.7°
C10C11H11H12144.8°145.6°
C11C9C7H6154.5°122.5°
C11C9C7H736.0°2.5°
C9C11H11H12144.8°145.8°
N2C12C13O4176.3°178.3°
N2C12C13C14117.6°143.7°
N2C12C13H13122.4°23.8°
N2C12C13H142.4°96.4°
C12C13C14H13120.0°119.8°
C12C13C14H14120.1°119.8°
C12C13C14C1555.0°91.5°
C12C13H13H14119.9°120.0°
C13C12N2H412.2°8.2°
C12C13C14H1565.7°28.5°
C12C13C14H16175.8°148.6°
C13C14C15H15120.7°120.2°
C13C14C15H16120.7°119.9°
C13C14C15C19158.6°142.5°
C14C13C12O458.7°34.6°
C14C13H13H14119.9°120.3°
C13C14C15H1721.4°37.2°
C13C14H15H16117.7°120.1°
C14C15C19H17180.0°179.6°
C14C15C19C20171.4°179.1°
C15C14C13H13175.1°148.7°
C15C14C13H1465.0°28.3°
C15C14H15H16117.7°120.0°
C14C15C19H258.6°1.0°
O1C8N3C1612.4°2.4°
O1C8N3H19167.5°177.6°
O1C8C6H5144.8°155.1°
C8N3C16H19180.0°180.0°
C8N3C16C1772.2°115.6°
C8N3C16C18169.1°124.8°
N3C8C6H534.7°25.0°
C8N3C16H2049.8°4.8°
N3C16C17C18121.0°119.2°
N3C16C17H20122.5°120.6°
N3C16C18H20120.0°120.2°
N3C16C17N4148.0°0.0°
N3C16C18C2164.7°146.7°
N3C16C17H2132.0°180.0°
N3C16C18H2255.8°93.5°
N3C16C18H23174.7°26.0°
C17C16C18H20116.6°120.2°
C16C17N4H21180.0°180.0°
C17C16C18C21171.9°93.7°
C17C16N3H19107.8°64.4°
C17C16C18H2267.5°26.1°
C17C16C18H2351.4°145.6°
C16C17N4H24180.0°180.0°
C18C16C17N491.0°119.2°
C16C18C21H22120.5°119.7°
C16C18C21H23120.5°120.5°
C16C18C21C22174.7°118.4°
C18C16N3H1910.9°55.2°
C18C16C17H2189.0°60.8°
C16C18C21H2965.4°1.8°
C16C18C21H3054.8°121.6°
C16C18H22H23118.4°119.8°
N4C17C16H2025.5°120.6°
C15C19C20H25180.0°179.9°
C15C19C20N572.6°128.3°
C15C19C20H2748.0°111.9°
C15C19C20H28166.8°8.4°
C19C15C14H1580.7°22.3°
C19C15C14H1637.9°97.6°
C19C20N5C22109.0°64.6°
C19C20N5H27120.6°119.8°
C19C20N5H28120.6°119.7°
C20C19C15H178.6°0.6°
C19C20H27H28118.1°120.3°
C19C20N5H3171.0°115.3°
C18C21C22H29119.9°120.4°
C18C21C22H30119.9°120.0°
C18C21C22O242.8°15.0°
C18C21C22N5136.8°165.1°
C18C21H29H30120.4°119.9°
C21C18C16H2055.3°26.5°
C21C18H22H23118.4°120.4°
C21C22O2N5179.6°179.9°
C21C22N5C202.5°179.3°
C22C21H29H30120.3°119.7°
C22C21C18H2254.2°121.9°
C22C21C18H2364.8°2.1°
C21C22N5H31177.5°0.7°
O2C22N5C20177.2°0.6°
O2C22C21H29162.7°105.4°
O2C22C21H3077.1°135.0°
O2C22N5H312.9°179.4°
C22N5C20H31180.0°179.9°
C22N5C20H2711.6°175.6°
C22N5C20H28130.4°55.1°
N5C22C21H2917.0°74.5°
N5C22C21H30103.3°45.1°
N5C20H27H28118.1°120.6°
N5C20C19H25107.4°51.8°
O4C12C13H1361.3°154.5°
O4C12C13H14178.8°85.3°
O4C12N2H4171.5°170.1°
H19N3C16H20130.2°175.2°
H3C4C3H20.3°2.3°
H5C6C7H6173.8°172.9°
H5C6C7H767.6°67.1°
H6C7C9H860.8°91.9°
H7C7C9H8179.3°148.1°
H10C10C9H83.6°0.0°
H10C10C11H110.0°0.0°
H10C10C11H12141.1°144.9°
H9C10C9H8144.6°145.1°
H9C10C11H11141.1°145.0°
H9C10C11H120.0°0.0°
H13C13C14H1554.4°91.3°
H13C13C14H1664.2°28.8°
H14C13C14H15174.3°148.3°
H14C13C14H1655.7°91.6°
H17C15C14H1599.3°157.3°
H17C15C14H16142.1°82.7°
H17C15C19H25171.4°179.3°
H21C17C16H20154.5°59.4°
H21C17N4H240.0°0.0°
H27C20C19H25132.0°68.0°
H27C20N5H31168.4°4.5°
H28C20C19H2513.2°171.7°
H28C20N5H3149.6°125.0°
H29C21C18H22174.0°117.9°
H29C21C18H2355.1°122.3°
H30C21C18H2265.7°1.9°
H30C21C18H23175.4°117.9°
H1C2C3H22.2°1.6°
H8C9C11H113.5°0.1°
H8C9C11H12144.6°145.0°
H20C16C18H22175.8°146.3°
H20C16C18H2365.2°94.2°

258735

PDB entries from 2026-08-26

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