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NJI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing1.51Å1.49Å
C3N1sing1.47Å1.47Å
C3C4sing1.53Å1.55Å
C1N1sing1.35Å1.32Å
C1O1doub1.21Å1.22Å
N1C21sing1.47Å1.46Å
C6C5sing1.53Å1.49Å
C6N2sing1.47Å1.47Å
C19N2sing1.47Å1.47Å
C19C20sing1.53Å1.48Å
C4C5sing1.53Å1.53Å
C4C20sing1.53Å1.53Å
C4C21sing1.53Å1.54Å
N2C7sing1.35Å1.33Å
C15C16sing1.53Å1.51Å
C15C8sing1.53Å1.54Å
C7O2doub1.21Å1.23Å
C7C8sing1.51Å1.53Å
C16O3sing1.43Å1.43Å
C8N3sing1.47Å1.45Å
C8C18sing1.53Å1.54Å
O3C17sing1.43Å1.43Å
N3C9sing1.40Å1.39Å
C18C17sing1.53Å1.50Å
C9C10doub1.39Å1.40ÅAromatic
C9C14sing1.39Å1.40ÅAromatic
C10C11sing1.38Å1.38ÅAromatic
C14C13doub1.38Å1.38ÅAromatic
C11C12doub1.38Å1.38ÅAromatic
C13C12sing1.38Å1.37ÅAromatic
C12CL2sing1.74Å1.73Å
C2H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2CL1sing1.80Å1.07Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C5H6sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C6H9sing1.09Å1.10Å
N3H10sing0.97Å1.00Å
C10H11sing1.08Å1.08Å
C11H12sing1.08Å1.08Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C15H15sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
C20H25sing1.09Å1.10Å
C20H26sing1.09Å1.10Å
C21H27sing1.09Å1.10Å
C21H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1N1112.3°120.0°
C2C1O1124.6°120.0°
C1C2H1109.6°109.4°
C1C2H2109.5°109.5°
C1C2CL1109.2°109.5°
N1C3C486.1°87.9°
C3N1C1133.9°136.0°
C3N1C2196.3°88.0°
N1C3H4115.0°113.5°
N1C3H5114.9°113.5°
C3C4C5118.2°114.1°
C3C4C20114.0°114.1°
C3C4C2189.8°84.0°
C4C3H4114.9°113.5°
C4C3H5114.9°113.5°
N1C1O1123.0°120.0°
C1N1C21129.8°136.0°
N1C21C487.3°88.0°
N1C21H27114.7°113.5°
N1C21H28114.7°113.5°
C5C6N2108.9°108.7°
C6C5C4112.6°109.1°
C6C5H6108.7°109.5°
C6C5H7108.7°109.6°
C5C6H8109.6°109.6°
C5C6H9109.6°109.6°
C6N2C19113.6°119.1°
C6N2C7116.9°120.4°
N2C6H8109.6°109.6°
N2C6H9109.6°109.6°
N2C19C20109.0°108.8°
C19N2C7129.5°120.5°
N2C19H23109.6°109.6°
N2C19H24109.6°109.6°
C19C20C4110.7°109.1°
C20C19H23109.6°109.5°
C20C19H24109.6°109.6°
C19C20H25109.2°109.5°
C19C20H26109.2°109.5°
C5C4C20114.2°113.4°
C5C4C21108.4°114.3°
C4C5H6108.7°109.5°
C4C5H7108.7°109.5°
C20C4C21109.1°113.9°
C4C20H25109.2°109.5°
C4C20H26109.2°109.5°
C4C21H27114.7°113.4°
C4C21H28114.7°113.5°
N2C7O2118.6°120.0°
N2C7C8120.6°120.0°
C16C15C8110.4°109.2°
C15C16O3111.6°109.4°
C16C15H15109.2°109.5°
C16C15H16109.2°109.5°
C15C16H17108.9°109.5°
C15C16H18109.0°109.5°
C15C8C7108.0°109.5°
C15C8N3109.6°109.5°
C15C8C18108.2°109.2°
C8C15H15109.2°109.5°
C8C15H16109.2°109.5°
O2C7C8120.7°120.0°
C7C8N3112.8°109.5°
C7C8C18107.1°109.5°
C16O3C17110.9°114.1°
O3C16H17108.9°109.5°
O3C16H18108.9°109.4°
N3C8C18110.9°109.5°
C8N3C9125.2°120.0°
C8N3H10105.4°120.0°
C8C18C17109.4°109.2°
C8C18H21109.5°109.5°
C8C18H22109.5°109.5°
O3C17C18110.7°109.5°
O3C17H19109.2°109.5°
O3C17H20109.2°109.4°
N3C9C10117.1°120.1°
N3C9C14123.8°120.0°
C9N3H10105.4°120.0°
C18C17H19109.2°109.5°
C18C17H20109.2°109.4°
C17C18H21109.5°109.6°
C17C18H22109.5°109.4°
C10C9C14118.9°119.9°
C9C10C11120.2°120.0°
C9C10H11119.9°120.0°
C9C14C13120.8°119.9°
C9C14H14119.6°120.0°
C10C11C12118.8°120.0°
C11C10H11119.9°120.0°
C10C11H12120.6°120.0°
C14C13C12118.5°120.1°
C14C13H13120.7°119.9°
C13C14H14119.6°120.1°
C11C12C13122.6°120.1°
C11C12CL2119.0°119.9°
C12C11H12120.6°119.9°
C13C12CL2118.4°120.0°
C12C13H13120.7°120.0°
H1C2H2109.5°109.5°
H1C2CL1109.5°109.5°
H2C2CL1109.5°109.5°
H4C3H5109.5°112.8°
H6C5H7109.4°109.6°
H8C6H9109.5°109.7°
H15C15H16109.4°109.6°
H17C16H18109.5°109.5°
H19C17H20109.4°109.5°
H21C18H22109.5°109.6°
H23C19H24109.5°109.7°
H25C20H26109.5°109.7°
H27C21H28109.4°112.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1N1C312.6°4.8°
C2C1N1O1176.3°179.8°
C2C1N1C21165.2°174.8°
C1C2H1H2120.1°120.0°
C1C2H1CL1119.7°120.0°
C1C2H2CL1119.7°120.0°
N1C3C4H4115.8°114.8°
N1C3C4H5115.7°114.8°
C3N1C1C21177.8°179.6°
C3N1C1O1171.2°175.4°
N1C3C4C5105.7°139.4°
N1C3C4C20116.0°87.9°
N1C3C4C215.2°25.5°
N1C3H4H5131.2°130.8°
C3N1C21H27110.5°141.2°
C3N1C21H28121.6°88.3°
C4C3N1C1176.2°153.3°
C3C4C5C692.4°75.5°
C3C4C20C1992.3°75.6°
C3C4C5C20138.2°132.9°
C3C4C5C21100.0°94.3°
C3C4C20C2198.6°94.1°
C4C3H4H5131.2°130.8°
C3C4C5H628.1°164.6°
C3C4C5H7147.1°44.4°
C3C4C20H25147.5°44.3°
C3C4C20H2627.9°164.6°
C3C4C21H27110.8°140.3°
C3C4C21H28121.2°89.3°
C1N1C21C4176.1°153.3°
N1C1C2H1116.7°54.5°
N1C1C2H23.4°65.5°
N1C1C2CL1123.3°174.4°
C1N1C3H460.5°91.9°
C1N1C3H568.0°38.6°
C1N1C21H2767.9°38.6°
C1N1C21H2860.0°91.9°
O1C1N1C2111.0°4.9°
O1C1C2H159.4°125.3°
O1C1C2H2179.6°114.7°
O1C1C2CL160.5°5.3°
N1C21C4C5114.5°139.3°
N1C21C4C20120.6°88.2°
N1C21C4H27116.0°114.8°
N1C21C4H28116.0°114.8°
C21N1C3H4121.2°88.4°
C21N1C3H5110.3°141.2°
N1C21H27H28130.6°130.9°
C5C6N2H8119.9°119.7°
C5C6N2H9119.9°119.8°
C5C6N2C1961.4°55.7°
C6C5C4H6120.5°119.9°
C6C5C4H7120.5°119.9°
C6C5C4C2045.8°57.4°
C6C5C4C21167.6°169.8°
C5C6N2C7120.0°124.4°
C6C5H6H7118.6°120.2°
C5C6H8H9120.3°120.4°
C6N2C19C7178.3°179.9°
C6N2C19C2064.4°55.7°
N2C6C5C450.4°52.3°
C6N2C7O20.8°5.6°
C6N2C7C8176.9°174.3°
N2C6C5H6170.8°67.6°
N2C6C5H770.1°172.1°
N2C6H8H9120.3°120.4°
C6N2C19H23175.7°175.4°
C6N2C19H2455.5°64.1°
N2C19C20H23119.9°119.8°
N2C19C20H24119.9°119.8°
N2C19C20C454.7°52.3°
C19N2C7O2177.5°174.3°
C19N2C7C81.4°5.8°
C19N2C6H8178.7°175.4°
C19N2C6H958.5°64.1°
N2C19H23H24120.3°120.4°
N2C19C20H2565.5°172.1°
N2C19C20H26174.9°67.6°
C19C20C4C547.7°57.4°
C19C20C4H25120.2°119.8°
C19C20C4H26120.2°119.9°
C19C20C4C21169.1°169.7°
C20C19N2C7117.3°124.4°
C20C19H23H24120.2°120.4°
C19C20H25H26119.4°120.2°
C5C4C20C21121.4°133.0°
C5C4C3H410.1°24.7°
C5C4C3H5138.6°105.8°
C4C5H6H7118.5°120.2°
C4C5C6H8170.3°172.1°
C4C5C6H969.6°67.5°
C5C4C20H2572.5°177.2°
C5C4C20H26167.8°62.5°
C5C4C21H27129.4°105.9°
C5C4C21H281.5°24.4°
C20C4C3H4128.2°157.3°
C20C4C3H50.3°26.8°
C20C4C5H6166.3°62.5°
C20C4C5H774.7°177.3°
C4C20C19H23174.6°172.0°
C4C20C19H2465.2°67.5°
C4C20H25H26119.4°120.2°
C20C4C21H274.6°26.6°
C20C4C21H28123.4°157.0°
C21C4C3H4120.9°89.2°
C21C4C3H5110.6°140.3°
C21C4C5H671.9°70.3°
C21C4C5H747.1°49.9°
C21C4C20H2548.9°49.8°
C21C4C20H2670.8°70.5°
C4C21H27H28130.6°130.7°
N2C7C8C1568.9°76.2°
N2C7O2C8176.1°179.9°
N2C7C8N352.4°43.9°
N2C7C8C18174.7°164.1°
C7N2C6H80.2°4.7°
C7N2C6H9120.1°115.8°
C7N2C19H232.6°4.7°
C7N2C19H24122.8°115.8°
C16C15C8H15120.2°119.9°
C16C15C8H16120.1°119.9°
C16C15C8C7168.8°176.8°
C15C16O3H17120.3°120.0°
C15C16O3H18120.3°120.0°
C16C15C8N367.9°63.0°
C16C15C8C1853.1°56.9°
C15C16O3C1760.7°61.1°
C16C15H15H16119.6°120.2°
C15C16H17H18119.1°120.1°
C15C8C7O2107.0°103.8°
C15C8C7N3121.3°120.2°
C15C8C7C18116.4°119.7°
C8C15C16O356.2°57.6°
C15C8N3C18119.4°119.7°
C15C8N3C9165.5°179.5°
C15C8C18C1755.1°56.8°
C15C8N3H1072.4°0.5°
C8C15H15H16119.5°120.1°
C8C15C16H17176.6°177.5°
C8C15C16H1864.1°62.4°
C15C8C18H21175.1°176.8°
C15C8C18H2264.9°63.0°
O2C7C8N3131.6°136.0°
O2C7C8C189.3°15.8°
C7C8N3C18120.2°120.2°
C7C8N3C945.1°60.4°
C7C8C18C17171.3°176.7°
C7C8N3H10167.2°119.7°
C7C8C15H1571.0°57.0°
C7C8C15H1648.6°63.3°
C7C8C18H2168.7°63.3°
C7C8C18H2251.3°56.9°
C16O3C17C1863.0°61.1°
O3C16C15H15176.4°62.3°
O3C16C15H1663.9°177.5°
O3C16H17H18119.0°119.9°
C16O3C17H19176.8°178.8°
C16O3C17H2057.2°58.9°
C8N3C9H10122.1°179.9°
N3C8C18C1765.1°63.1°
C8N3C9C10170.3°173.4°
C8N3C9C145.3°6.9°
N3C8C15H1552.3°177.1°
N3C8C15H16171.9°56.9°
N3C8C18H2154.8°56.9°
N3C8C18H22174.9°177.1°
C8C18C17O360.6°57.4°
C18C8N3C975.1°59.8°
C8C18C17H21120.0°120.0°
C8C18C17H22120.0°119.8°
C18C8N3H1047.0°120.2°
C18C8C15H15173.3°63.0°
C18C8C15H1667.1°176.8°
C8C18C17H19179.2°177.5°
C8C18C17H2059.6°62.5°
C8C18H21H22120.0°120.1°
O3C17C18H19120.2°120.1°
O3C17C18H20120.2°119.9°
C17O3C16H17179.0°178.8°
C17O3C16H1859.6°58.8°
O3C17H19H20119.5°120.0°
O3C17C18H21179.4°177.4°
O3C17C18H2259.4°62.4°
N3C9C10C14175.8°179.7°
N3C9C10C11178.4°180.0°
N3C9C14C13177.3°179.7°
N3C9C10H111.7°0.0°
N3C9C14H142.7°0.0°
C18C17H19H20119.4°120.0°
C17C18H21H22120.0°120.1°
C9C10C11H11180.0°180.0°
C10C9C14C131.7°0.6°
C9C10C11C123.1°0.0°
C10C9N3H1067.6°6.5°
C9C10C11H12177.0°180.0°
C10C9C14H14178.2°179.7°
C14C9C10C112.5°0.3°
C9C14C13H14180.0°179.7°
C9C14C13C121.5°0.5°
C14C9N3H10116.8°173.2°
C14C9C10H11177.5°179.7°
C9C14C13H13178.5°179.7°
C10C11C12H12180.0°180.0°
C10C11C12C132.9°0.0°
C10C11C12CL2179.1°180.0°
C14C13C12C112.1°0.2°
C14C13C12H13180.0°179.8°
C14C13C12CL2179.9°179.7°
C11C12C13CL2178.0°179.9°
C12C11C10H11177.0°180.0°
C11C12C13H13177.9°180.0°
C13C12C11H12177.1°180.0°
C12C13C14H14178.5°179.7°
CL2C12C11H120.9°0.1°
CL2C12C13H130.1°0.1°
H1C2H2CL1120.1°120.0°
H6C5C6H869.3°52.2°
H6C5C6H950.9°172.6°
H7C5C6H849.8°68.1°
H7C5C6H9170.0°52.3°
H11C10C11H123.0°0.0°
H13C13C14H141.5°0.1°
H15C15C16H1763.3°57.7°
H15C15C16H1856.1°177.8°
H16C15C16H1756.4°62.6°
H16C15C16H18175.8°57.5°
H19C17C18H2159.2°62.5°
H19C17C18H2260.8°57.7°
H20C17C18H2160.4°57.5°
H20C17C18H22179.6°177.7°
H23C19C20H2554.4°68.1°
H23C19C20H2665.2°52.2°
H24C19C20H25174.6°52.3°
H24C19C20H2655.0°172.6°

222415

PDB entries from 2024-07-10

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