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WGW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1C2sing1.35Å1.34Å
N1C6sing1.34Å1.36Å
C2C3sing1.52Å1.41Å
C2O8doub1.21Å1.34Å
C3C4sing1.52Å1.40Å
C4N5doub1.30Å1.36Å
C4C9sing1.51Å1.50Å
N5C6sing1.34Å1.35Å
C6O7doub1.21Å1.32Å
C9C10sing1.51Å1.52Å
C10O11doub1.21Å1.24Å
C10N12sing1.35Å1.34Å
N12C13sing1.40Å1.40Å
C13C14doub1.39Å1.41ÅAromatic
C13C18sing1.39Å1.38ÅAromatic
C14C15sing1.38Å1.35ÅAromatic
C14CL20sing1.74Å1.72Å
C15C16doub1.38Å1.37ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C16CL19sing1.74Å1.72Å
C17C18doub1.38Å1.39ÅAromatic
N1H1sing0.97Å1.00Å
N12H2sing0.97Å1.00Å
C15H3sing1.08Å1.08Å
C17H4sing1.08Å1.08Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C18H9sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2N1C6120.3°121.2°
N1C2C3120.2°116.9°
N1C2O8116.9°121.6°
C2N1H1119.9°119.4°
N1C6N5121.7°124.8°
N1C6O7115.2°117.6°
C6N1H1119.8°119.4°
C3C2O8122.8°121.5°
C2C3C4117.2°116.2°
C2C3H5107.5°108.1°
C2C3H6107.5°108.1°
C3C4N5120.9°118.0°
C3C4C9119.8°121.0°
C4C3H5107.5°108.1°
C4C3H6107.5°108.2°
N5C4C9118.9°121.0°
C4N5C6119.1°122.8°
C4C9C10105.2°109.5°
C4C9H7110.5°109.5°
C4C9H8110.6°109.4°
N5C6O7122.9°117.6°
C9C10O11121.7°120.0°
C9C10N12117.1°120.0°
C10C9H7110.6°109.5°
C10C9H8110.5°109.4°
O11C10N12121.1°120.0°
C10N12C13121.8°120.0°
C10N12H2119.1°120.0°
N12C13C14119.1°120.1°
N12C13C18123.1°120.1°
C13N12H2119.1°120.0°
C14C13C18117.8°119.8°
C13C14C15122.6°120.0°
C13C14CL20119.3°120.0°
C13C18C17119.6°119.9°
C13C18H9120.2°120.0°
C15C14CL20117.9°120.0°
C14C15C16119.1°120.1°
C14C15H3120.5°119.9°
C15C16C17120.5°120.1°
C15C16CL19118.5°119.9°
C16C15H3120.5°120.0°
C17C16CL19121.0°119.9°
C16C17C18120.3°120.1°
C16C17H4119.8°120.0°
C18C17H4119.8°119.9°
C17C18H9120.2°120.0°
H5C3H6109.5°107.8°
H7C9H8109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2N1C6H1180.0°179.7°
N1C2C3O8175.3°180.0°
N1C2C3C46.2°0.0°
C2N1C6N57.3°0.0°
C2N1C6O7176.8°180.0°
N1C2C3H5127.3°121.7°
N1C2C3H6114.9°121.8°
C6N1C2C30.7°0.0°
C6N1C2O8174.8°180.0°
N1C6N5C46.4°0.0°
N1C6N5O7175.5°180.0°
C2C3C4H5121.1°121.8°
C2C3C4H6121.1°121.8°
C2C3C4N57.1°0.0°
C2C3C4C9179.4°180.0°
C3C2N1H1179.3°179.7°
C2C3H5H6116.5°116.7°
O8C2C3C4178.5°180.0°
O8C2N1H15.2°0.3°
O8C2C3H557.4°58.2°
O8C2C3H660.4°58.2°
C3C4N5C9172.3°180.0°
C3C4N5C61.0°0.0°
C3C4C9C1097.1°180.0°
C4C3H5H6116.5°116.7°
C3C4C9H7143.6°60.0°
C3C4C9H822.2°60.0°
C4N5C6O7178.1°180.0°
N5C4C9C1075.3°0.0°
N5C4C3H5128.3°121.8°
N5C4C3H6114.0°121.8°
N5C4C9H744.0°120.0°
N5C4C9H8165.3°120.0°
C9C4N5C6173.4°180.0°
C4C9C10H7119.3°120.1°
C4C9C10H8119.3°120.0°
C4C9C10O1112.2°0.1°
C4C9C10N12169.4°180.0°
C9C4C3H559.5°58.3°
C9C4C3H658.3°58.2°
C4C9H7H8122.0°120.0°
N5C6N1H1172.7°179.7°
O7C6N1H13.2°0.3°
C9C10O11N12178.3°180.0°
C9C10N12C13170.6°175.6°
C9C10N12H29.4°4.5°
C10C9H7H8122.0°120.0°
O11C10N12C137.8°4.5°
O11C10N12H2172.2°175.4°
O11C10C9H7107.1°120.0°
O11C10C9H8131.6°120.0°
C10N12C13H2180.0°179.9°
C10N12C13C14153.7°145.0°
C10N12C13C1823.9°34.6°
N12C10C9H771.3°60.0°
N12C10C9H850.1°60.0°
N12C13C14C18177.8°179.7°
N12C13C14C15176.8°180.0°
N12C13C14CL201.6°0.1°
N12C13C18C17178.0°179.9°
N12C13C18H92.1°0.0°
C13C14C15CL20175.3°179.9°
C13C14C15C161.3°0.0°
C14C13C18C170.3°0.3°
C14C13N12H226.3°35.1°
C13C14C15H3178.8°179.7°
C14C13C18H9179.7°179.7°
C18C13C14C150.9°0.3°
C18C13C14CL20176.2°179.7°
C13C18C17C161.2°0.0°
C13C18C17H9180.0°180.0°
C18C13N12H2156.1°145.3°
C13C18C17H4178.8°179.9°
C14C15C16H3180.0°179.8°
C14C15C16C170.4°0.3°
C14C15C16CL19178.1°179.7°
CL20C14C15C16176.6°180.0°
CL20C14C15H33.4°0.2°
C15C16C17CL19178.4°180.0°
C15C16C17C180.8°0.3°
C15C16C17H4179.2°179.8°
C16C17C18H4180.0°179.9°
C17C16C15H3179.7°180.0°
C16C17C18H9178.9°180.0°
CL19C16C17C18179.2°179.7°
CL19C16C15H31.9°0.1°
CL19C16C17H40.7°0.3°
H4C17C18H91.1°0.1°

227344

PDB entries from 2024-11-13

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