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KJD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2S1doub1.42Å1.43Å
N3S1sing1.66Å1.60Å
F1C9sing1.35Å1.36Å
O1C10sing1.36Å1.35Å
S1C15sing1.76Å1.77Å
S1O3doub1.42Å1.43Å
C9C10doub1.39Å1.38ÅAromatic
C9C8sing1.38Å1.37ÅAromatic
C10C11sing1.39Å1.38ÅAromatic
C15C16doub1.38Å1.38ÅAromatic
C15C14sing1.38Å1.38ÅAromatic
C8C6doub1.39Å1.39ÅAromatic
C16C17sing1.38Å1.38ÅAromatic
C14C13doub1.38Å1.38ÅAromatic
C11F2sing1.35Å1.37Å
C11C12doub1.38Å1.37ÅAromatic
C17C7doub1.39Å1.39ÅAromatic
C13C7sing1.39Å1.39ÅAromatic
C6C12sing1.39Å1.39ÅAromatic
C6C1sing1.48Å1.49Å
C5C1doub1.39Å1.39ÅAromatic
C5C4sing1.40Å1.39ÅAromatic
C7C4sing1.48Å1.48Å
C1C2sing1.40Å1.42ÅAromatic
C4C3doub1.39Å1.39ÅAromatic
C2N2sing1.39Å1.33Å
C2N1doub1.32Å1.35ÅAromatic
C3N1sing1.32Å1.34ÅAromatic
C14H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
C8H3sing1.08Å1.08Å
C12H4sing1.08Å1.08Å
C13H5sing1.08Å1.08Å
N2H6sing0.97Å1.00Å
N2H7sing0.97Å1.00Å
C3H8sing1.08Å1.08Å
N3H9sing0.97Å1.00Å
N3H10sing0.97Å1.00Å
C16H11sing1.08Å1.08Å
C17H12sing1.08Å1.08Å
O1H13sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2S1N3107.0°106.4°
O2S1C15107.0°106.4°
O2S1O3118.9°123.2°
N3S1C15108.5°107.2°
N3S1O3107.3°106.4°
S1N3H9109.5°120.0°
S1N3H10109.5°120.1°
F1C9C10119.1°119.9°
F1C9C8119.2°120.0°
O1C10C9120.8°120.0°
O1C10C11121.5°120.0°
C10O1H13109.5°114.0°
C15S1O3107.9°106.4°
S1C15C16120.3°119.9°
S1C15C14119.5°119.9°
C10C9C8121.7°120.1°
C9C10C11117.7°120.1°
C9C8C6120.0°119.9°
C9C8H3120.0°120.1°
C10C11F2119.2°120.0°
C10C11C12121.6°120.1°
C16C15C14120.2°120.2°
C15C16C17119.7°120.2°
C15C16H11120.2°120.0°
C15C14C13119.6°120.1°
C15C14H1120.2°119.9°
C8C6C12118.9°119.9°
C8C6C1120.3°120.1°
C6C8H3120.0°120.0°
C16C17C7121.3°119.8°
C17C16H11120.1°119.9°
C16C17H12119.4°120.1°
C14C13C7121.5°119.9°
C13C14H1120.2°120.0°
C14C13H5119.2°120.0°
F2C11C12119.2°119.9°
C11C12C6120.0°119.9°
C11C12H4120.0°120.0°
C17C7C13117.7°119.8°
C17C7C4121.7°120.1°
C7C17H12119.4°120.1°
C13C7C4120.6°120.2°
C7C13H5119.3°120.0°
C12C6C1120.8°120.1°
C6C12H4120.0°120.0°
C6C1C5120.2°120.5°
C6C1C2121.1°120.5°
C1C5C4119.9°118.3°
C5C1C2118.6°119.0°
C1C5H2120.1°120.9°
C5C4C7120.9°120.4°
C5C4C3117.1°119.2°
C4C5H2120.0°120.8°
C7C4C3121.9°120.4°
C1C2N2122.1°119.7°
C1C2N1121.5°120.6°
C4C3N1124.9°121.0°
C4C3H8117.6°119.5°
N2C2N1116.4°119.7°
C2N2H6109.5°120.0°
C2N2H7109.4°120.0°
C2N1C3118.0°121.9°
N1C3H8117.6°119.5°
H6N2H7109.5°120.0°
H9N3H10109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2S1N3C15115.1°113.5°
O2S1N3O3128.6°132.9°
O2S1C15O3129.0°132.9°
O2S1C15C16131.8°23.6°
O2S1C15C1447.1°156.5°
O2S1N3H9180.0°96.5°
O2S1N3H1060.0°83.5°
N3S1C15O3115.9°113.6°
N3S1C15C1616.7°90.0°
N3S1C15C14162.2°90.0°
S1N3H9H10120.0°180.0°
F1C9C10O10.2°0.1°
F1C9C10C8179.3°179.9°
F1C9C10C11179.8°179.9°
F1C9C8C6179.5°180.0°
F1C9C8H30.5°0.1°
O1C10C9C11179.9°180.0°
O1C10C9C8179.5°180.0°
O1C10C11F20.0°0.0°
O1C10C11C12180.0°180.0°
S1C15C16C14178.9°180.0°
S1C15C16C17179.6°180.0°
S1C15C14C13179.8°180.0°
S1C15C14H10.2°0.2°
C15S1N3H964.9°150.0°
C15S1N3H10175.1°30.0°
S1C15C16H110.4°0.0°
O3S1C15C1699.2°156.5°
O3S1C15C1481.9°23.6°
O3S1N3H951.4°36.5°
O3S1N3H1068.6°143.5°
C10C9C8C61.3°0.0°
C9C10C11F2179.9°180.0°
C9C10C11C120.0°0.0°
C10C9C8H3178.7°180.0°
C9C10O1H13180.0°90.0°
C8C9C10C110.5°0.0°
C9C8C6H3180.0°179.9°
C9C8C6C121.5°0.1°
C9C8C6C1180.0°179.7°
C10C11F2C12180.0°180.0°
C10C11C12C60.3°0.0°
C10C11C12H4179.8°179.8°
C11C10O1H130.1°90.0°
C15C16C17H11180.0°180.0°
C16C15C14C130.9°0.0°
C15C16C17C70.1°0.3°
C16C15C14H1179.1°179.7°
C15C16C17H12179.9°180.0°
C14C15C16C170.7°0.0°
C15C14C13H1180.0°179.8°
C15C14C13C70.5°0.2°
C15C14C13H5179.5°179.7°
C14C15C16H11179.3°180.0°
C8C6C12C111.0°0.0°
C8C6C12C1178.4°179.7°
C8C6C1C5131.6°49.7°
C8C6C1C245.6°130.3°
C8C6C12H4179.0°179.7°
C16C17C7H12180.0°179.7°
C16C17C7C130.3°0.5°
C16C17C7C4179.3°180.0°
C14C13C7C170.0°0.5°
C14C13C7H5180.0°179.9°
C14C13C7C4179.1°180.0°
F2C11C12C6179.8°180.0°
F2C11C12H40.2°0.3°
C11C12C6H4180.0°179.8°
C11C12C6C1179.5°179.7°
C17C7C13C4179.1°179.5°
C17C7C4C526.4°0.2°
C17C7C4C3157.2°179.5°
C17C7C13H5180.0°179.5°
C7C17C16H11179.9°179.7°
C13C7C4C5152.7°179.7°
C13C7C4C323.7°0.0°
C7C13C14H1179.5°180.0°
C13C7C17H12179.8°179.8°
C12C6C1C549.9°130.0°
C12C6C1C2132.8°50.0°
C12C6C8H3178.5°180.0°
C6C1C5C2177.3°180.0°
C6C1C5C4179.5°180.0°
C6C1C2N22.9°0.0°
C6C1C2N1179.3°180.0°
C6C1C5H20.5°0.0°
C1C6C8H30.0°0.3°
C1C6C12H40.5°0.1°
C1C5C4H2180.0°180.0°
C1C5C4C7178.7°179.7°
C1C5C4C32.1°0.0°
C5C1C2N2179.8°180.0°
C5C1C2N12.0°0.0°
C5C4C7C3176.4°179.7°
C4C5C1C22.2°0.0°
C5C4C3N11.9°0.0°
C5C4C3H8178.1°180.0°
C7C4C3N1178.4°179.7°
C7C4C5H21.3°0.3°
C4C7C13H50.9°0.1°
C7C4C3H81.6°0.3°
C4C7C17H120.7°0.2°
C1C2N2N1177.9°180.0°
C1C2N1C31.7°0.0°
C2C1C5H2177.8°180.0°
C1C2N2H6177.9°0.0°
C1C2N2H757.9°180.0°
C4C3N1C21.7°0.0°
C4C3N1H8180.0°180.0°
C3C4C5H2177.9°180.0°
N2C2N1C3179.6°180.0°
C2N2H6H7120.0°179.9°
N1C2N2H60.0°179.9°
N1C2N2H7120.0°0.0°
C2N1C3H8178.3°180.0°
H1C14C13H50.6°0.0°
H11C16C17H120.1°0.0°

225158

건을2024-09-18부터공개중

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