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LUN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C1sing1.53Å1.52Å
C1C3sing1.53Å1.52Å
C1C2sing1.50Å1.50Å
C1C5sing1.53Å1.49Å
C7C2doub1.38Å1.38ÅAromatic
C2C6sing1.39Å1.37ÅAromatic
C3N8sing1.47Å1.45Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C4N9sing1.49Å1.49Å
C4H4sing1.09Å1.10Å
C4H4Asing1.09Å1.10Å
C10C5sing1.55Å1.51Å
C5H5sing1.09Å1.10Å
C5H5Asing1.09Å1.10Å
C6N8sing1.40Å1.40Å
C6C11doub1.40Å1.37ÅAromatic
C7C12sing1.38Å1.38ÅAromatic
C7H7sing1.08Å1.08Å
C13N8sing1.35Å1.41Å
C14N9sing1.47Å1.49Å
N9C10sing1.49Å1.48Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C15C11sing1.38Å1.38ÅAromatic
C11H11sing1.08Å1.08Å
C12C15doub1.38Å1.39ÅAromatic
C12H12sing1.08Å1.08Å
C16C13sing1.47Å1.43Å
C13O17doub1.22Å1.23Å
C19C14sing1.53Å1.51Å
C14C18sing1.53Å1.53Å
C14H14sing1.09Å1.10Å
C15H15sing1.08Å1.08Å
N21C16sing1.38Å1.36ÅAromatic
C20C16doub1.36Å1.38ÅAromatic
C22C18sing1.53Å1.53Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
N23C19sing1.47Å1.46Å
C19H19sing1.09Å1.10Å
C19H19Asing1.09Å1.10Å
C24C20sing1.42Å1.42ÅAromatic
C20H20sing1.08Å1.08Å
C25N21sing1.38Å1.37ÅAromatic
C26C22sing1.53Å1.52Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
N23C26sing1.47Å1.47Å
N23HN23sing1.01Å1.00Å
C25C24doub1.41Å1.38ÅAromatic
C27C24sing1.40Å1.39ÅAromatic
C28C25sing1.39Å1.38ÅAromatic
C26H26sing1.09Å1.10Å
C26H26Asing1.09Å1.10Å
C29C27doub1.37Å1.38ÅAromatic
C27H27sing1.08Å1.08Å
C30C28doub1.38Å1.38ÅAromatic
C28H28sing1.08Å1.08Å
C30C29sing1.39Å1.38ÅAromatic
F31C29sing1.35Å1.36Å
C30H30sing1.08Å1.08Å
N21HN21sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C1C3109.3°111.3°
C4C1C2115.8°111.4°
C4C1C5106.8°106.0°
C1C4N9106.4°104.4°
C1C4H4110.5°110.5°
C1C4H4A110.5°110.5°
C3C1C2101.9°105.5°
C3C1C5111.4°111.3°
C1C3N8107.8°104.8°
C1C3H3110.0°110.4°
C1C3H3A110.0°110.4°
C2C1C5111.7°111.4°
C1C2C7129.1°131.6°
C1C2C6110.8°108.0°
C1C5C10107.1°104.7°
C1C5H5110.3°110.4°
C1C5H5A110.3°110.4°
C7C2C6120.1°120.4°
C2C7C12119.1°120.3°
C2C7H7120.4°119.9°
C2C6N8111.0°111.7°
C2C6C11121.7°119.0°
N8C3H3110.0°110.4°
N8C3H3A110.0°110.4°
C3N8C6108.1°110.0°
C3N8C13126.1°125.0°
H3C3H3A108.9°110.4°
N9C4H4110.5°110.5°
N9C4H4A110.5°110.5°
C4N9C14115.7°111.0°
C4N9C10109.4°104.4°
H4C4H4A108.4°110.4°
C10C5H5110.3°110.4°
C10C5H5A110.3°110.5°
C5C10N9105.2°104.6°
C5C10H10111.0°110.4°
C5C10H10A110.9°110.4°
H5C5H5A108.6°110.3°
N8C6C11127.4°129.3°
C6N8C13121.2°125.0°
C6C11C15118.5°120.3°
C6C11H11120.8°119.8°
C12C7H7120.5°119.8°
C7C12C15120.1°119.9°
C7C12H12119.9°120.1°
N8C13C16119.8°120.0°
N8C13O17121.5°120.0°
C14N9C10113.7°111.0°
N9C14C19107.2°109.5°
N9C14C18109.7°109.5°
N9C14H14110.0°109.5°
N9C10H10110.9°110.4°
N9C10H10A111.0°110.4°
H10C10H10A107.9°110.5°
C15C11H11120.8°119.8°
C11C15C12120.6°120.2°
C11C15H15119.7°119.9°
C15C12H12120.0°120.1°
C12C15H15119.7°119.9°
C16C13O17118.7°120.0°
C13C16N21120.2°125.4°
C13C16C20134.5°125.4°
C19C14C18107.0°109.3°
C19C14H14112.6°109.5°
C14C19N23110.5°109.5°
C14C19H19109.1°109.5°
C14C19H19A109.1°109.4°
C18C14H14110.2°109.5°
C14C18C22110.1°109.2°
C14C18H18109.2°109.5°
C14C18H18A109.3°109.5°
N21C16C20105.3°109.2°
C16N21C25112.4°108.8°
C16N21HN21123.8°125.7°
C16C20C24108.7°107.7°
C16C20H20125.6°126.2°
C22C18H18109.3°109.5°
C22C18H18A109.2°109.6°
C18C22C26110.4°109.3°
C18C22H22109.1°109.5°
C18C22H22A109.2°109.5°
H18C18H18A109.7°109.5°
N23C19H19109.1°109.5°
N23C19H19A109.1°109.5°
C19N23C26109.4°111.2°
C19N23HN23109.5°111.1°
H19C19H19A109.8°109.5°
C24C20H20125.7°126.1°
C20C24C25106.9°107.0°
C20C24C27134.2°133.3°
N21C25C24106.6°107.4°
N21C25C28128.9°133.1°
C25N21HN21123.8°125.6°
C26C22H22109.2°109.5°
C26C22H22A109.1°109.5°
C22C26N23109.3°109.5°
C22C26H26109.5°109.5°
C22C26H26A109.5°109.5°
H22C22H22A109.8°109.5°
C26N23HN23109.5°111.0°
N23C26H26109.5°109.4°
N23C26H26A109.5°109.4°
C25C24C27118.9°119.7°
C24C25C28124.5°119.5°
C24C27C29117.3°119.8°
C24C27H27121.3°120.1°
C25C28C30115.3°119.8°
C25C28H28122.3°120.0°
H26C26H26A109.4°109.5°
C29C27H27121.3°120.1°
C27C29C30122.0°120.6°
C27C29F31119.7°119.7°
C30C28H28122.4°120.2°
C28C30C29122.0°120.7°
C28C30H30119.0°119.6°
C30C29F31118.4°119.7°
C29C30H30119.0°119.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C1C3C2123.0°121.0°
C4C1C3C5117.8°118.0°
C4C1C2C5122.5°118.2°
C4C1C2C757.1°58.9°
C4C1C2C6122.6°121.0°
C4C1C3N8129.1°121.2°
C4C1C3H39.1°2.3°
C4C1C3H3A110.9°120.0°
C1C4N9H4120.0°118.8°
C1C4N9H4A120.0°118.7°
C1C4H4H4A121.3°122.5°
C4C1C5C1020.1°0.3°
C4C1C5H599.9°118.5°
C4C1C5H5A140.1°119.2°
C1C4N9C14135.5°158.3°
C1C4N9C105.5°38.6°
C3C1C2C5119.0°120.9°
C3C1C2C7175.6°179.8°
C3C1C2C64.1°0.1°
C1C3N8H3120.0°118.8°
C1C3N8H3A120.0°118.8°
C1C3H3H3A120.7°122.3°
C3C1C4N9111.5°144.3°
C3C1C4H48.6°25.6°
C3C1C4H4A128.6°96.9°
C3C1C5C1099.2°120.8°
C3C1C5H5140.8°120.3°
C3C1C5H5A20.8°1.9°
C1C3N8C66.3°0.1°
C1C3N8C13162.3°179.9°
C1C2C7C6179.6°180.0°
C2C1C3N86.1°0.2°
C2C1C3H3113.9°118.7°
C2C1C3H3A126.1°119.0°
C2C1C4N9134.2°98.2°
C2C1C4H4105.7°143.0°
C2C1C4H4A14.2°20.6°
C2C1C5C10147.7°121.7°
C2C1C5H527.6°2.8°
C2C1C5H5A92.3°119.4°
C1C2C6N80.4°0.1°
C1C2C6C11179.4°179.9°
C1C2C7C12179.5°180.0°
C1C2C7H70.5°0.0°
C5C1C2C765.4°59.2°
C5C1C2C6114.9°120.8°
C5C1C3N8113.1°120.9°
C5C1C3H3126.9°120.2°
C5C1C3H3A6.9°2.0°
C5C1C4N99.1°23.2°
C5C1C4H4129.2°95.6°
C5C1C4H4A110.9°141.9°
C1C5C10H5120.0°118.8°
C1C5C10H5A120.0°118.9°
C1C5H5H5A121.0°122.2°
C1C5C10N923.3°23.7°
C1C5C10H10143.3°142.5°
C1C5C10H10A96.8°95.0°
C7C2C6N8179.3°179.9°
C7C2C6C110.3°0.1°
C2C7C12H7180.0°179.9°
C2C7C12C150.2°0.0°
C2C7C12H12179.8°180.0°
C2C6N8C33.7°0.1°
C2C6N8C11178.9°180.0°
C6C2C7C120.1°0.1°
C6C2C7H7179.9°180.0°
C2C6N8C13161.2°180.0°
C2C6C11C150.1°0.1°
C2C6C11H11179.9°180.0°
N8C3H3H3A120.7°122.3°
C3N8C6C13157.5°179.9°
C3N8C6C11175.2°180.0°
C3N8C13C164.4°4.8°
C3N8C13O17174.2°175.1°
H3C3N8C6113.7°118.7°
H3C3N8C1342.3°61.2°
H3AC3N8C6126.3°119.0°
H3AC3N8C1377.7°61.1°
N9C4H4H4A121.2°122.5°
C4N9C10C517.7°38.9°
C4N9C14C10127.9°115.6°
C4N9C10H10137.7°157.7°
C4N9C10H10A102.3°79.8°
C4N9C14C1960.1°60.2°
C4N9C14C18175.9°180.0°
C4N9C14H1462.7°59.9°
H4C4N9C1415.5°39.5°
H4C4N9C10114.5°80.1°
H4AC4N9C14104.5°83.0°
H4AC4N9C10125.6°157.4°
C10C5H5H5A121.0°122.4°
C5C10N9C14148.8°158.6°
C5C10N9H10120.0°118.8°
C5C10N9H10A120.0°118.8°
C5C10H10H10A121.7°122.4°
H5C5C10N996.8°95.1°
H5C5C10H1023.2°23.8°
H5C5C10H10A143.2°146.2°
H5AC5C10N9143.3°142.6°
H5AC5C10H1096.7°98.6°
H5AC5C10H10A23.3°23.8°
N8C6C11C15178.9°180.0°
N8C6C11H111.1°0.0°
C6N8C13C16157.6°175.1°
C6N8C13O1721.0°5.0°
C11C6N8C1317.7°0.1°
C6C11C15H11180.0°180.0°
C6C11C15C120.3°0.0°
C6C11C15H15179.7°180.0°
C7C12C15C110.4°0.1°
C7C12C15H12180.0°180.0°
C7C12C15H15179.6°180.0°
H7C7C12C15179.8°179.9°
H7C7C12H120.2°0.1°
N8C13C16O17178.7°179.9°
N8C13C16N21154.9°5.4°
N8C13C16C2025.0°174.3°
C14N9C10H1091.2°82.7°
C14N9C10H10A28.8°39.8°
N9C14C19C18117.6°119.9°
N9C14C19H14121.2°120.1°
N9C14C18H14121.3°120.1°
N9C14C18C22173.0°177.6°
N9C14C18H1853.0°57.7°
N9C14C18H18A67.0°62.4°
N9C14C19N23180.0°179.1°
N9C14C19H1960.0°60.9°
N9C14C19H19A60.0°59.1°
N9C10H10H10A121.8°122.4°
C10N9C14C19172.1°175.8°
C10N9C14C1856.3°64.4°
C10N9C14H1465.1°55.7°
C11C15C12H15180.0°180.0°
C11C15C12H12179.6°180.0°
H11C11C15C12179.7°180.0°
H11C11C15H150.3°0.0°
H12C12C15H150.4°0.0°
C13C16N21C20179.9°179.7°
C13C16C20C24179.7°180.0°
C13C16C20H200.4°0.0°
C13C16N21C25179.5°180.0°
C13C16N21HN210.5°0.0°
O17C13C16N2123.8°174.6°
O17C13C16C20156.3°5.8°
C19C14C18H14122.8°119.9°
C19C14C18C2257.1°57.6°
C19C14C18H1862.9°62.3°
C19C14C18H18A177.1°177.6°
C14C19N23H19120.0°120.0°
C14C19N23H19A120.0°120.0°
C14C19H19H19A119.5°120.0°
C14C19N23C2665.7°61.7°
C14C19N23HN2354.3°62.4°
C14C18C22H18120.0°119.9°
C14C18C22H18A120.0°119.9°
C14C18H18H18A119.7°120.1°
C18C14C19N2362.5°59.2°
C18C14C19H19177.5°179.2°
C18C14C19H19A57.6°60.9°
C14C18C22C2655.8°57.7°
C14C18C22H22175.8°177.6°
C14C18C22H22A64.2°62.3°
H14C14C18C2265.7°62.3°
H14C14C18H18174.3°177.8°
H14C14C18H18A54.3°57.7°
H14C14C19N2358.8°60.8°
H14C14C19H1961.2°59.3°
H14C14C19H19A178.8°179.2°
N21C16C20C240.3°0.3°
N21C16C20H20179.7°179.7°
C16N21C25HN21180.0°180.0°
C16N21C25C240.4°0.1°
C16N21C25C28179.6°180.0°
C16C20C24H20180.0°180.0°
C20C16N21C250.4°0.2°
C16C20C24C250.1°0.2°
C16C20C24C27180.0°180.0°
C20C16N21HN21179.6°179.8°
C22C18H18H18A119.7°120.2°
C18C22C26H22120.0°120.0°
C18C22C26H22A120.0°119.9°
C18C22H22H22A119.6°120.0°
C18C22C26N2356.9°59.2°
C18C22C26H2663.1°60.8°
C18C22C26H26A176.9°179.2°
H18C18C22C2664.2°62.2°
H18C18C22H2255.8°57.8°
H18C18C22H22A175.8°177.8°
H18AC18C22C26175.8°177.6°
H18AC18C22H2264.2°62.4°
H18AC18C22H22A55.8°57.6°
N23C19H19H19A119.6°120.0°
C19N23C26C2261.3°61.7°
C19N23C26HN23120.0°124.2°
C19N23C26H2658.7°58.3°
C19N23C26H26A178.7°178.2°
H19C19N23C26174.3°178.2°
H19C19N23HN2365.7°57.6°
H19AC19N23C2654.3°58.3°
H19AC19N23HN23174.3°177.6°
C20C24C25N210.2°0.0°
C20C24C25C27179.9°179.9°
C20C24C25C28179.8°179.9°
C20C24C27C29179.7°180.0°
C20C24C27H270.3°0.0°
H20C20C24C25179.9°179.8°
H20C20C24C270.0°0.0°
N21C25C24C28180.0°179.9°
N21C25C24C27179.7°179.9°
N21C25C28C30179.6°180.0°
N21C25C28H280.4°0.1°
C26C22H22H22A119.6°120.1°
C22C26N23H26120.0°120.0°
C22C26N23H26A120.0°120.0°
C22C26N23HN2358.7°62.4°
C22C26H26H26A120.1°120.0°
H22C22C26N23176.9°179.1°
H22C22C26H2656.9°59.1°
H22C22C26H26A63.1°60.9°
H22AC22C26N2363.1°60.8°
H22AC22C26H26176.9°179.2°
H22AC22C26H26A56.9°59.2°
N23C26H26H26A120.1°119.9°
HN23N23C26H26178.7°177.5°
HN23N23C26H26A61.3°57.6°
C25C24C27C290.2°0.2°
C25C24C27H27179.8°179.8°
C24C25C28C300.4°0.1°
C24C25C28H28179.6°179.8°
C24C25N21HN21179.6°179.9°
C27C24C25C280.3°0.0°
C24C27C29H27180.0°180.0°
C24C27C29C300.5°0.2°
C24C27C29F31180.0°180.0°
C25C28C30H28180.0°179.9°
C25C28C30C290.1°0.1°
C25C28C30H30179.9°180.0°
C28C25N21HN210.4°0.0°
C27C29C30C280.4°0.1°
C27C29C30F31179.5°179.8°
C27C29C30H30179.6°179.8°
H27C27C29C30179.5°179.8°
H27C27C29F310.0°0.0°
C28C30C29H30180.0°179.9°
C28C30C29F31179.9°179.8°
H28C28C30C29179.9°179.8°
H28C28C30H300.1°0.1°
F31C29C30H300.1°0.0°

224931

PDB entries from 2024-09-11

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