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A1JL2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.53Å
C1C2sing1.51Å1.52Å
C2C3doub1.38Å1.39ÅAromatic
C3C4sing1.38Å1.39ÅAromatic
C4C5doub1.39Å1.39ÅAromatic
C5C6sing1.39Å1.39ÅAromatic
C6C7doub1.38Å1.38ÅAromatic
C5Nsing1.40Å1.42Å
NC8sing1.35Å1.36Å
C8Odoub1.21Å1.23Å
C8C9sing1.51Å1.52Å
C9C10sing1.55Å1.53Å
C10C11sing1.55Å1.52Å
C11C12sing1.54Å1.53Å
C12C13sing1.54Å1.54Å
C13N1sing1.47Å1.50Å
C1N2sing1.47Å1.50Å
N2C14sing1.40Å1.44Å
C14C15doub1.39Å1.40ÅAromatic
C15C16sing1.38Å1.39ÅAromatic
C16C17doub1.39Å1.39ÅAromatic
C17C18sing1.39Å1.38ÅAromatic
C18C19doub1.38Å1.38ÅAromatic
C17O1sing1.36Å1.42Å
O1C20sing1.43Å1.32Å
C20Fsing1.40Å1.32Å
C20F1sing1.40Å1.32Å
C20F2sing1.40Å1.32Å
N2C21sing1.35Å1.37Å
C21O2doub1.21Å1.22Å
C21C22sing1.51Å1.51Å
C22C23sing1.53Å1.51Å
C7C2sing1.38Å1.39ÅAromatic
C13C9sing1.54Å1.54Å
C19C14sing1.39Å1.39ÅAromatic
C1Hsing1.09Å1.10Å
C3H6sing1.08Å1.08Å
C7H9sing1.08Å1.08Å
C9H1sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C10H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C12H16sing1.09Å1.10Å
C13H2sing1.09Å1.10Å
C15H19sing1.08Å1.08Å
C16H20sing1.08Å1.08Å
C19H22sing1.08Å1.08Å
C22H23sing1.09Å1.10Å
C22H24sing1.09Å1.10Å
C23H25sing1.09Å1.10Å
C23H26sing1.09Å1.10Å
C23H27sing1.09Å1.10Å
C18H21sing1.08Å1.08Å
CH3sing1.09Å1.10Å
CH4sing1.09Å1.10Å
CH5sing1.09Å1.10Å
C6H8sing1.08Å1.08Å
C4H7sing1.08Å1.08Å
NH10sing0.97Å1.00Å
N1H17sing1.01Å1.00Å
N1H18sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C2112.9°109.5°
CC1N2110.9°109.5°
CC1H106.7°109.5°
C1CH3109.5°109.5°
C1CH4109.4°109.4°
C1CH5109.5°109.4°
C1C2C3121.7°119.9°
C2C1N2112.0°109.4°
C1C2C7120.3°119.9°
C2C1H106.8°109.5°
C2C3C4121.1°120.1°
C3C2C7118.0°120.1°
C2C3H6119.5°119.9°
C3C4C5120.3°119.9°
C4C3H6119.4°120.0°
C3C4H7119.8°120.1°
C4C5C6118.9°119.9°
C4C5N125.5°120.1°
C5C4H7119.9°120.1°
C5C6C7120.4°119.9°
C6C5N115.2°120.0°
C5C6H8119.8°120.1°
C6C7C2121.3°120.1°
C6C7H9119.4°120.0°
C7C6H8119.8°120.0°
C5NC8129.4°120.0°
C5NH10115.3°119.9°
NC8O124.0°120.0°
NC8C9114.2°120.0°
C8NH10115.3°120.0°
OC8C9121.8°120.0°
C8C9C10113.6°110.5°
C8C9C13113.3°110.5°
C8C9H1108.7°110.4°
C9C10C11103.4°102.8°
C10C9C13104.1°104.2°
C10C9H1108.5°110.5°
C9C10H11111.0°110.7°
C9C10H12111.0°110.8°
C10C11C12103.4°104.2°
C11C10H11110.9°110.7°
C11C10H12111.0°110.8°
C10C11H13110.9°110.5°
C10C11H14110.9°110.5°
C11C12C13105.7°106.6°
C12C11H13110.9°110.5°
C12C11H14111.0°110.4°
C11C12H15110.4°110.1°
C11C12H16110.4°110.1°
C12C13N1111.7°110.1°
C12C13C9106.6°106.6°
C13C12H15110.4°110.0°
C13C12H16110.4°110.0°
C12C13H2108.7°110.1°
N1C13C9111.9°110.0°
N1C13H2109.2°110.0°
C13N1H17109.5°111.0°
C13N1H18109.5°111.0°
C1N2C14119.8°120.0°
C1N2C21118.0°120.0°
N2C1H107.1°109.5°
N2C14C15120.6°120.0°
C14N2C21122.2°120.0°
N2C14C19120.1°120.0°
C14C15C16120.1°120.0°
C15C14C19119.2°120.0°
C14C15H19120.0°120.0°
C15C16C17119.9°120.0°
C16C15H19120.0°120.0°
C15C16H20120.1°120.0°
C16C17C18120.3°120.0°
C16C17O1129.0°120.0°
C17C16H20120.0°120.0°
C17C18C19119.9°120.0°
C18C17O1110.6°120.0°
C17C18H21120.1°120.0°
C18C19C14120.6°120.0°
C18C19H22119.7°119.9°
C19C18H21120.0°120.0°
C17O1C20119.5°117.0°
O1C20F110.0°109.5°
O1C20F1111.5°109.5°
O1C20F2111.9°109.5°
FC20F1107.7°109.4°
FC20F2107.1°109.5°
F1C20F2108.4°109.5°
N2C21O2121.4°120.0°
N2C21C22118.4°120.0°
O2C21C22120.2°120.0°
C21C22C23111.9°109.5°
C21C22H23108.9°109.5°
C21C22H24108.8°109.5°
C23C22H23108.9°109.5°
C23C22H24108.9°109.5°
C22C23H25109.5°109.5°
C22C23H26109.4°109.5°
C22C23H27109.5°109.5°
C2C7H9119.4°119.9°
C13C9H1108.4°110.6°
C9C13H2108.6°110.0°
C14C19H22119.7°120.0°
H11C10H12109.4°110.8°
H13C11H14109.5°110.5°
H15C12H16109.5°110.0°
H23C22H24109.4°109.4°
H25C23H26109.4°109.5°
H25C23H27109.5°109.5°
H26C23H27109.5°109.5°
H3CH4109.5°109.5°
H3CH5109.5°109.5°
H4CH5109.4°109.5°
H17N1H18109.4°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C2N2126.0°120.0°
CC1C2H117.0°120.0°
CC1C2C3156.5°100.1°
CC1N2H116.2°120.0°
CC1N2C1478.7°162.7°
CC1N2C21101.1°17.2°
CC1C2C723.7°80.1°
C1CH3H4120.0°120.0°
C1CH3H5120.0°120.0°
C1CH4H5120.0°120.0°
C1C2C3C7179.8°179.8°
C1C2C3C4179.8°180.0°
C1C2C7C6179.8°180.0°
C2C1N2H116.8°120.0°
C2C1N2C1448.4°77.3°
C2C1N2C21131.9°102.8°
C1C2C3H60.2°0.0°
C1C2C7H90.2°0.1°
C2C1CH3180.0°145.9°
C2C1CH460.0°94.1°
C2C1CH560.0°25.9°
C2C3C4H6180.0°180.0°
C2C3C4C50.3°0.1°
C3C2C7C60.1°0.2°
C3C2C1N277.5°139.9°
C3C2C1H39.5°19.9°
C3C2C7H9180.0°179.7°
C2C3C4H7179.7°180.0°
C3C4C5H7180.0°179.9°
C3C4C5C60.5°0.2°
C3C4C5N171.8°180.0°
C4C3C2C70.0°0.2°
C4C5C6N173.1°179.8°
C4C5C6C70.5°0.2°
C4C5NC83.8°144.2°
C5C4C3H6179.7°179.9°
C4C5C6H8179.5°179.8°
C4C5NH10176.2°35.9°
C5C6C7H8180.0°180.0°
C6C5NC8176.4°36.0°
C5C6C7C20.2°0.1°
C5C6C7H9179.8°180.0°
C6C5C4H7179.4°179.8°
C6C5NH103.6°143.9°
C7C6C5N172.6°179.9°
C6C7C2H9180.0°179.9°
C5NC8H10180.0°179.9°
C5NC8O1.7°1.8°
C5NC8C9178.6°178.2°
NC5C6H87.4°0.1°
NC5C4H78.2°0.1°
NC8OC9179.6°180.0°
NC8C9C10114.3°61.4°
NC8C9C13127.2°176.2°
NC8C9H16.6°61.1°
OC8C9C1066.1°118.6°
OC8C9C1352.5°3.8°
OC8C9H1173.1°118.9°
OC8NH10178.3°178.1°
C8C9C10C13123.7°118.7°
C8C9C10H1121.0°122.5°
C8C9C10C11159.4°156.6°
C8C9C13C12140.4°142.3°
C8C9C13N197.2°98.4°
C8C9C13H1120.7°122.6°
C8C9C10H1140.3°38.3°
C8C9C10H1281.6°85.0°
C8C9C13H223.5°23.0°
C9C8NH101.4°1.9°
C9C10C11H11119.0°118.3°
C9C10C11H12119.0°118.4°
C9C10C11C1241.4°37.9°
C10C9C13C1216.5°23.6°
C10C9C13N1138.9°142.9°
C10C9C13H1115.4°118.7°
C9C10H11H12122.8°123.4°
C9C10C11H13160.4°156.6°
C9C10C11H1477.7°80.8°
C10C9C13H2100.4°95.7°
C10C11C12H13119.0°118.7°
C10C11C12H14119.0°118.7°
C10C11C12C1330.9°23.6°
C11C10C9C1335.6°37.9°
C11C10C9H179.7°80.9°
C11C10H11H12122.8°123.3°
C10C11H13H14122.8°122.6°
C10C11C12H1588.5°95.7°
C10C11C12H16150.3°142.9°
C11C12C13H15119.4°119.3°
C11C12C13H16119.4°119.3°
C11C12C13N1113.7°119.3°
C11C12C13C98.8°0.0°
C12C11C10H1177.7°80.4°
C12C11C10H12160.4°156.3°
C12C11H13H14122.8°122.6°
C11C12H15H16121.7°121.5°
C11C12C13H2125.7°119.3°
C12C13N1C9119.4°117.2°
C12C13N1H2120.3°121.4°
C12C13C9H2116.9°119.3°
C12C13C9H198.9°95.1°
C13C12C11H13149.9°142.3°
C13C12C11H1488.1°95.1°
C13C12H15H16121.7°121.4°
C12C13N1H17180.0°61.4°
C12C13N1H1860.0°62.5°
N1C13C9H2120.6°121.4°
N1C13C9H123.6°24.2°
N1C13C12H15126.9°121.4°
N1C13C12H165.7°0.0°
C13N1H17H18120.0°124.0°
C1N2C14C21179.7°179.9°
C1N2C14C1593.4°170.1°
C1N2C21O21.5°22.5°
C1N2C21C22179.0°157.5°
N2C1C2C7102.3°39.9°
C1N2C14C1982.8°9.6°
N2C1CH353.5°25.9°
N2C1CH4173.5°146.0°
N2C1CH566.6°94.1°
N2C14C15C19176.3°179.7°
N2C14C15C16176.1°179.7°
N2C14C19C18176.0°179.7°
C14N2C21O2178.2°157.6°
C14N2C21C220.8°22.4°
C14N2C1H165.2°42.7°
N2C14C15H193.9°0.3°
N2C14C19H224.0°0.3°
C14C15C16H19180.0°180.0°
C14C15C16C170.1°0.0°
C15C14C19C180.3°0.0°
C15C14N2C2186.3°10.0°
C14C15C16H20179.9°180.0°
C15C14C19H22179.7°180.0°
C15C16C17H20180.0°180.0°
C15C16C17C180.3°0.0°
C15C16C17O1176.1°179.9°
C16C15C14C190.2°0.0°
C16C17C18O1177.0°180.0°
C16C17C18C190.2°0.0°
C16C17O1C207.6°180.0°
C17C16C15H19179.9°180.0°
C16C17C18H21179.7°180.0°
C17C18C19H21180.0°179.9°
C18C17O1C20175.7°0.0°
C17C18C19C140.1°0.0°
C18C17C16H20179.7°180.0°
C17C18C19H22179.9°180.0°
C19C18C17O1176.8°180.0°
C18C19C14H22180.0°179.9°
C17O1C20F177.6°60.0°
C17O1C20F158.2°60.0°
C17O1C20F263.5°180.0°
O1C17C16H203.9°0.0°
O1C17C18H213.2°0.1°
O1C20FF1121.8°120.0°
O1C20FF2121.8°120.0°
O1C20F1F2123.6°120.0°
FC20F1F2115.5°120.0°
N2C21O2C22177.4°180.0°
N2C21C22C23111.9°142.4°
C21N2C14C1997.5°170.3°
C21N2C1H15.1°137.2°
N2C21C22H23127.7°97.6°
N2C21C22H248.5°22.4°
O2C21C22C2370.6°37.6°
O2C21C22H2349.8°82.4°
O2C21C22H24169.0°157.6°
C21C22C23H23120.4°120.0°
C21C22C23H24120.4°120.0°
C21C22H23H24118.9°120.0°
C21C22C23H25180.0°180.0°
C21C22C23H2660.0°60.0°
C21C22C23H2760.0°60.0°
C23C22H23H24118.9°120.0°
C22C23H25H26120.0°120.0°
C22C23H25H27120.0°120.0°
C22C23H26H27120.0°120.0°
C7C2C1H140.7°159.9°
C7C2C3H6180.0°179.8°
C2C7C6H8179.8°180.0°
C13C9C10H1183.4°80.4°
C13C9C10H12154.7°156.2°
C9C13C12H15110.6°119.3°
C9C13C12H16128.2°119.3°
C9C13N1H1760.6°178.6°
C9C13N1H18179.4°54.7°
C19C14C15H19179.8°180.0°
C14C19C18H21180.0°180.0°
HC1CH362.9°94.1°
HC1CH457.0°26.0°
HC1CH5177.0°146.0°
H6C3C4H70.3°0.0°
H9C7C6H80.2°0.0°
H1C9C10H11161.3°160.8°
H1C9C10H1239.4°37.5°
H1C9C13H2144.2°145.6°
H11C10C11H1341.3°38.3°
H11C10C11H14163.3°161.0°
H12C10C11H1380.6°85.0°
H12C10C11H1441.4°37.6°
H13C11C12H1530.5°23.0°
H13C11C12H1690.7°98.4°
H14C11C12H15152.5°145.6°
H14C11C12H1631.3°24.2°
H15C12C13H26.3°0.0°
H16C12C13H2114.9°121.4°
H2C13N1H1759.7°60.0°
H2C13N1H1860.3°176.1°
H19C15C16H200.1°0.0°
H22C19C18H210.1°0.1°
H23C22C23H2559.6°60.0°
H23C22C23H26179.6°180.0°
H23C22C23H2760.4°60.0°
H24C22C23H2559.6°60.0°
H24C22C23H2660.3°60.0°
H24C22C23H27179.7°180.0°
H25C23H26H27120.0°120.0°
H3CH4H5120.0°120.0°

248335

PDB entries from 2026-01-28

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