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L03

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1S2sing1.81Å1.81Å
C1H1C1sing1.09Å1.12Å
C1H1C2sing1.09Å1.12Å
C1H1C3sing1.09Å1.11Å
S2C3sing1.76Å1.76Å
C3N4doub1.31Å1.31ÅAromatic
C3N7sing1.37Å1.36ÅAromatic
N4N5sing1.29Å1.29ÅAromatic
N5C6doub1.31Å1.32ÅAromatic
C6N7sing1.37Å1.37ÅAromatic
C6C8sing1.48Å1.47ÅAromatic
N7H7sing0.97Å1.02Å
C8C9doub1.40Å1.40ÅAromatic
C8C14sing1.40Å1.40ÅAromatic
C9C10sing1.38Å1.40ÅAromatic
C9H9sing1.08Å1.10Å
C10C11doub1.38Å1.39ÅAromatic
C10H10sing1.08Å1.10Å
C11CL12sing1.74Å1.76Å
C11C13sing1.38Å1.39ÅAromatic
C13C14doub1.38Å1.38ÅAromatic
C13H13sing1.08Å1.10Å
C14H14sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
S2C1H1C1102.4°109.5°
S2C1H1C2114.9°109.4°
S2C1H1C3114.9°109.5°
C1S2C3102.4°100.0°
H1C1C1H1C2114.9°109.5°
H1C1C1H1C3114.9°109.4°
H1C2C1H1C395.6°109.5°
S2C3N4126.9°126.4°
S2C3N7125.3°126.4°
N4C3N7107.8°107.2°
C3N4N5109.7°110.0°
C3N7C6105.8°105.7°
C3N7H7127.1°127.1°
N4N5C6109.8°110.0°
N5C6N7106.8°107.0°
N5C6C8127.1°126.5°
N7C6C8125.6°126.5°
C6N7H7127.1°127.2°
C6C8C9121.5°120.1°
C6C8C14118.3°120.2°
C9C8C14119.9°119.7°
C8C9C10119.3°119.8°
C8C9H9120.3°120.1°
C8C14C13119.7°119.9°
C8C14H14120.1°120.0°
C10C9H9120.3°120.1°
C9C10C11120.6°120.2°
C9C10H10119.7°119.9°
C11C10H10119.7°119.9°
C10C11CL12121.1°119.9°
C10C11C13119.2°120.2°
CL12C11C13119.7°119.9°
C11C13C14121.2°120.2°
C11C13H13119.4°120.0°
C14C13H13119.4°119.9°
C13C14H14120.1°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S2C1H1C1H1C2125.3°120.0°
S2C1H1C1H1C3125.3°120.0°
S2C1H1C2H1C3120.8°120.1°
C1S2C3N4173.8°0.3°
C1S2C3N75.8°180.0°
H1C1C1H1C2H1C3120.8°120.0°
H1C1C1S2C3180.0°180.0°
H1C2C1S2C354.7°60.0°
H1C3C1S2C354.7°60.0°
S2C3N4N7179.6°179.8°
S2C3N4N5179.4°179.8°
S2C3N7C6178.7°180.0°
S2C3N7H71.3°0.1°
C3N4N5C62.2°0.5°
N4C3N7C61.6°0.2°
N4C3N7H7178.4°179.7°
N7C3N4N50.3°0.5°
C3N7C6N52.9°0.0°
C3N7C6H7180.0°179.9°
C3N7C6C8175.1°180.0°
N4N5C6N73.1°0.3°
N4N5C6C8175.2°179.7°
N5C6N7C8172.2°180.0°
N5C6N7H7177.1°180.0°
N5C6C8C914.4°39.7°
N5C6C8C14159.3°139.9°
N7C6C8C9175.1°140.3°
N7C6C8C1411.3°40.0°
C8C6N7H75.0°0.1°
C6C8C9C14173.5°179.6°
C6C8C9C10175.6°180.0°
C6C8C9H94.4°0.1°
C6C8C14C13175.8°179.8°
C6C8C14H144.2°0.2°
C8C9C10H9180.0°180.0°
C8C9C10C111.0°0.1°
C8C9C10H10179.0°180.0°
C9C8C14C132.1°0.5°
C9C8C14H14178.0°179.9°
C14C8C9C102.1°0.3°
C14C8C9H9177.9°179.7°
C8C14C13C110.9°0.5°
C8C14C13H14180.0°179.6°
C8C14C13H13179.1°179.7°
C9C10C11H10180.0°179.9°
C9C10C11CL12179.4°180.0°
C9C10C11C130.2°0.0°
H9C9C10C11179.0°180.0°
H9C9C10H101.0°0.1°
C10C11CL12C13179.6°179.9°
C10C11C13C140.2°0.2°
C10C11C13H13179.8°179.9°
H10C10C11CL120.6°0.1°
H10C10C11C13179.8°180.0°
CL12C11C13C14179.4°179.8°
CL12C11C13H130.6°0.0°
C11C13C14H13180.0°179.8°
C11C13C14H14179.1°179.9°
H13C13C14H140.9°0.1°

223790

PDB entries from 2024-08-14

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