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LRF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.47Å1.45Å
N1C2sing1.47Å1.46Å
C2C3sing1.51Å1.52Å
C3O1doub1.21Å1.24Å
C3N2sing1.35Å1.33Å
N1C4sing1.38Å1.34Å
C4S1sing1.72Å1.74ÅAromatic
S1N3sing1.69Å1.68ÅAromatic
N3C5doub1.29Å1.36ÅAromatic
C5C6sing1.51Å1.49Å
C5C7sing1.39Å1.42ÅAromatic
C7C8sing1.43Å1.41Å
C8N4trip1.14Å1.13Å
C4C7doub1.39Å1.39ÅAromatic
C6H9sing1.09Å1.10Å
C6H8sing1.09Å1.10Å
C6H10sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C2H5sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
N2H6sing0.97Å1.00Å
N2H7sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N1C2116.8°111.0°
C1N1C4119.8°111.0°
N1C1H3109.5°109.5°
N1C1H1109.5°109.4°
N1C1H2109.5°109.5°
N1C2C3114.7°109.5°
C2N1C4123.2°111.0°
N1C2H5108.2°109.5°
N1C2H4108.2°109.5°
C2C3O1120.1°120.0°
C2C3N2115.6°120.0°
C3C2H5108.1°109.5°
C3C2H4108.2°109.4°
O1C3N2124.3°120.0°
C3N2H6120.0°120.0°
C3N2H7120.0°120.0°
N1C4S1122.9°127.4°
N1C4C7127.0°127.3°
C4S1N392.5°96.1°
S1C4C7110.2°105.3°
S1N3C5112.2°108.1°
N3C5C6120.0°121.5°
N3C5C7113.4°117.0°
C6C5C7126.6°121.5°
C5C6H9109.5°109.5°
C5C6H8109.5°109.5°
C5C6H10109.4°109.5°
C5C7C8126.1°123.3°
C5C7C4111.1°113.5°
C7C8N4176.1°180.0°
C8C7C4122.8°123.2°
H9C6H8109.5°109.4°
H9C6H10109.5°109.5°
H8C6H10109.5°109.5°
H3C1H1109.5°109.4°
H3C1H2109.5°109.5°
H1C1H2109.5°109.5°
H5C2H4109.4°109.5°
H6N2H7120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N1C2C4174.9°123.9°
C1N1C2C348.6°66.0°
C1N1C4S129.1°123.9°
C1N1C4C7150.8°56.0°
N1C1H3H1120.0°119.9°
N1C1H3H2120.0°120.0°
N1C1H1H2120.0°120.0°
C1N1C2H5169.4°174.0°
C1N1C2H472.2°53.9°
N1C2C3H5120.8°120.0°
N1C2C3H4120.8°120.0°
N1C2C3O149.7°0.0°
N1C2C3N2129.9°180.0°
C2N1C4S1145.7°0.0°
C2N1C4C734.4°180.0°
C2N1C1H3180.0°60.0°
C2N1C1H160.0°180.0°
C2N1C1H260.0°60.0°
N1C2H5H4117.6°120.1°
C2C3O1N2179.6°180.0°
C3C2N1C4136.4°170.0°
C3C2H5H4117.6°120.0°
C2C3N2H6179.6°0.0°
C2C3N2H70.4°180.0°
O1C3C2H571.1°120.0°
O1C3C2H4170.5°120.0°
O1C3N2H60.0°179.9°
O1C3N2H7180.0°0.0°
N2C3C2H5109.3°60.0°
N2C3C2H49.1°60.0°
C3N2H6H7180.0°179.9°
N1C4S1C7179.9°180.0°
N1C4S1N3179.2°180.0°
N1C4C7C5174.5°180.0°
N1C4C7C82.8°0.0°
C4N1C1H34.9°63.9°
C4N1C1H1124.9°56.0°
C4N1C1H2115.1°176.1°
C4N1C2H515.7°50.0°
C4N1C2H4102.8°70.0°
C4S1N3C54.4°0.0°
S1C4C7C55.6°0.0°
S1C4C7C8177.1°180.0°
S1N3C5C6170.6°179.9°
S1N3C5C78.6°0.0°
N3S1C4C70.8°0.0°
N3C5C6C7179.1°179.9°
N3C5C7C8173.6°180.0°
N3C5C7C49.2°0.0°
N3C5C6H90.0°90.0°
N3C5C6H8120.0°150.0°
N3C5C6H10120.0°30.0°
C6C5C7C87.2°0.0°
C6C5C7C4170.0°180.0°
C5C6H9H8120.0°120.0°
C5C6H9H10120.0°120.0°
C5C6H8H10120.0°120.0°
C5C7C8C4176.9°180.0°
C5C7C8N4135.2°58.1°
C7C5C6H9179.1°90.0°
C7C5C6H859.1°30.0°
C7C5C6H1060.9°150.0°
N4C8C7C441.7°121.9°
H9C6H8H10120.0°120.0°
H3C1H1H2120.0°120.0°

247536

PDB entries from 2026-01-14

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