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TNL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C7sing1.51Å1.50Å
C1C2doub1.40Å1.42ÅAromatic
C1C6sing1.40Å1.37ÅAromatic
C7H7C1sing1.09Å1.12Å
C7H7C2sing1.09Å1.11Å
C7H7C3sing1.09Å1.11Å
C2N2sing1.35Å1.46Å
C2C3sing1.40Å1.36ÅAromatic
N2O21doub1.22Å1.25Å
N2O22sing1.22Å1.19Å
C3C4doub1.40Å1.37ÅAromatic
C3H3sing1.08Å1.10Å
C4N4sing1.35Å1.45Å
C4C5sing1.40Å1.37ÅAromatic
N4O41doub1.22Å1.22Å
N4O42sing1.22Å1.21Å
C5C6doub1.40Å1.38ÅAromatic
C5H5sing1.08Å1.10Å
C6N6sing1.35Å1.48Å
N6O61doub1.22Å1.21Å
N6O62sing1.22Å1.22Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C7C1C2119.8°120.0°
C7C1C6125.4°120.0°
C1C7H7C1119.8°109.5°
C1C7H7C2108.5°109.5°
C1C7H7C3108.5°109.5°
C2C1C6114.8°120.0°
C1C2N2118.7°120.0°
C1C2C3125.0°120.0°
C1C6C5123.2°120.0°
C1C6N6120.9°120.0°
H7C1C7H7C2108.5°109.5°
H7C1C7H7C3108.5°109.5°
H7C2C7H7C3101.5°109.4°
N2C2C3116.3°120.0°
C2N2O21119.9°120.0°
C2N2O22119.0°120.0°
C2C3C4115.2°120.0°
C2C3H3122.4°120.0°
O21N2O22121.1°120.0°
C4C3H3122.4°120.0°
C3C4N4116.1°120.0°
C3C4C5124.8°120.0°
N4C4C5119.1°120.0°
C4N4O41115.5°120.0°
C4N4O42118.9°120.0°
C4C5C6116.9°120.0°
C4C5H5121.5°120.0°
O41N4O42125.4°119.9°
C6C5H5121.5°120.0°
C5C6N6115.9°120.0°
C6N6O61118.0°120.0°
C6N6O62118.7°120.0°
O61N6O62123.3°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C7C1C2C6178.8°179.8°
C1C7H7C1H7C2125.2°120.0°
C1C7H7C1H7C3125.2°120.0°
C1C7H7C2H7C3114.2°120.0°
C7C1C2N23.1°0.0°
C7C1C2C3178.1°179.9°
C7C1C6C5179.8°179.8°
C7C1C6N60.6°0.3°
C2C1C7H7C1180.0°89.7°
C2C1C7H7C254.8°150.2°
C2C1C7H7C354.7°30.3°
C1C2N2C3178.9°180.0°
C1C2N2O21125.3°149.0°
C1C2N2O2253.4°31.0°
C1C2C3C42.1°0.0°
C1C2C3H3177.9°180.0°
C2C1C6C51.6°0.5°
C2C1C6N6178.1°180.0°
C6C1C7H7C11.4°90.5°
C6C1C7H7C2123.9°29.5°
C6C1C7H7C3126.7°149.5°
C6C1C2N2178.1°179.8°
C6C1C2C30.6°0.2°
C1C6C5C42.0°0.5°
C1C6C5N6179.7°179.5°
C1C6C5H5177.9°179.7°
C1C6N6O61132.1°149.0°
C1C6N6O6247.3°30.9°
H7C1C7H7C2H7C3114.2°119.9°
C2N2O21O22178.6°179.9°
N2C2C3C4176.7°180.0°
N2C2C3H33.4°0.0°
C3C2N2O2155.9°31.0°
C3C2N2O22125.5°149.0°
C2C3C4H3180.0°179.9°
C2C3C4N4178.2°179.9°
C2C3C4C51.6°0.0°
C3C4N4C5179.8°179.9°
C3C4N4O41159.3°180.0°
C3C4N4O4223.6°0.0°
C3C4C5C60.3°0.3°
C3C4C5H5179.6°180.0°
H3C3C4N41.8°0.0°
H3C3C4C5178.4°179.9°
C4N4O41O42176.9°180.0°
N4C4C5C6179.9°179.8°
N4C4C5H50.2°0.0°
C5C4N4O4120.5°0.0°
C5C4N4O42156.5°179.9°
C4C5C6H5180.0°179.8°
C4C5C6N6177.6°180.0°
C5C6N6O6147.6°31.5°
C5C6N6O62133.0°148.6°
H5C5C6N62.4°0.2°
C6N6O61O62179.4°179.9°

218853

PDB entries from 2024-04-24

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