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LKL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.47Å1.45Å
N1C2sing1.47Å1.46Å
C2C3sing1.53Å1.51Å
C3O1sing1.43Å1.42Å
N1C4sing1.39Å1.36Å
C4N2doub1.32Å1.35ÅAromatic
N2C5sing1.32Å1.35ÅAromatic
C5C6doub1.38Å1.37ÅAromatic
C6C7sing1.39Å1.38ÅAromatic
C7C8doub1.39Å1.37ÅAromatic
C8F1sing1.35Å1.35Å
C4C8sing1.39Å1.44ÅAromatic
C5H9sing1.08Å1.08Å
C7H10sing1.08Å1.08Å
C1H2sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
O1H8sing0.97Å0.95Å
C6CL1sing1.74Å1.73Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N1C2116.2°111.0°
C1N1C4121.0°111.0°
N1C1H2109.5°109.5°
N1C1H1109.5°109.5°
N1C1H3109.5°109.5°
N1C2C3114.6°109.5°
C2N1C4122.5°111.0°
N1C2H5108.2°109.5°
N1C2H4108.2°109.5°
C2C3O1110.7°109.4°
C3C2H5108.1°109.5°
C3C2H4108.2°109.5°
C2C3H6109.2°109.5°
C2C3H7109.2°109.5°
O1C3H6109.2°109.5°
O1C3H7109.2°109.4°
C3O1H8109.5°114.0°
N1C4N2116.1°119.7°
N1C4C8123.9°119.7°
C4N2C5118.9°121.7°
N2C4C8120.0°120.6°
N2C5C6122.8°120.9°
N2C5H9118.6°119.6°
C5C6C7120.1°119.4°
C6C5H9118.6°119.6°
C5C6CL1120.4°120.3°
C6C7C8118.4°118.4°
C6C7H10120.8°120.8°
C7C6CL1119.5°120.3°
C7C8F1119.0°120.4°
C7C8C4119.9°119.0°
C8C7H10120.8°120.7°
F1C8C4121.1°120.5°
H2C1H1109.5°109.4°
H2C1H3109.5°109.4°
H1C1H3109.5°109.4°
H5C2H4109.4°109.5°
H6C3H7109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N1C2C4173.5°123.9°
C1N1C2C355.7°160.1°
C1N1C4N25.8°124.0°
C1N1C4C8177.0°56.3°
N1C1H2H1120.0°120.0°
N1C1H2H3120.0°120.1°
N1C1H1H3120.0°120.0°
C1N1C2H565.0°40.1°
C1N1C2H4176.5°79.8°
N1C2C3H5120.8°120.0°
N1C2C3H4120.8°120.0°
N1C2C3O1164.3°64.0°
C2N1C4N2167.5°0.0°
C2N1C4C89.8°179.7°
C2N1C1H2180.0°53.5°
C2N1C1H160.0°173.5°
C2N1C1H360.0°66.5°
N1C2H5H4117.7°120.0°
N1C2C3H675.5°176.0°
N1C2C3H744.1°56.0°
C2C3O1H6120.2°120.0°
C2C3O1H7120.2°120.0°
C3C2N1C4130.8°75.9°
C3C2H5H4117.6°120.0°
C2C3H6H7119.4°120.0°
C2C3O1H8180.0°180.0°
O1C3C2H543.5°56.0°
O1C3C2H474.9°176.0°
O1C3H6H7119.5°120.0°
N1C4N2C8177.4°179.7°
N1C4N2C5178.0°180.0°
N1C4C8C7178.0°180.0°
N1C4C8F12.5°0.0°
C4N1C1H26.4°177.5°
C4N1C1H1113.6°62.5°
C4N1C1H3126.4°57.5°
C4N1C2H5108.5°164.1°
C4N1C2H410.0°44.1°
C4N2C5C60.1°0.1°
N2C4C8C70.8°0.3°
N2C4C8F1179.6°179.8°
C4N2C5H9179.9°179.8°
N2C5C6H9180.0°179.8°
N2C5C6C70.3°0.2°
C5N2C4C80.7°0.3°
N2C5C6CL1179.9°179.8°
C5C6C7CL1179.8°179.9°
C5C6C7C80.2°0.2°
C5C6C7H10179.8°180.0°
C6C7C8H10180.0°179.8°
C6C7C8F1180.0°180.0°
C6C7C8C40.4°0.0°
C7C6C5H9179.7°180.0°
C7C8F1C4179.6°180.0°
C8C7C6CL1180.0°179.8°
F1C8C7H100.1°0.2°
C4C8C7H10179.6°179.8°
H9C5C6CL10.2°0.0°
H10C7C6CL10.0°0.1°
H2C1H1H3120.0°119.9°
H5C2C3H6163.7°64.0°
H5C2C3H776.7°176.0°
H4C2C3H645.3°56.0°
H4C2C3H7164.9°64.0°
H6C3O1H859.8°60.0°
H7C3O1H859.8°60.0°

250835

PDB entries from 2026-03-18

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