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W1J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C7C8doub1.35Å1.32ÅAromatic
C7C6sing1.40Å1.41ÅAromatic
C8O1sing1.34Å1.37ÅAromatic
C6C5doub1.36Å1.35ÅAromatic
O1C5sing1.35Å1.37ÅAromatic
C5C4sing1.47Å1.47Å
C4Odoub1.22Å1.23Å
C4N3sing1.35Å1.37Å
N3C3sing1.40Å1.38Å
C3N4doub1.32Å1.32ÅAromatic
C3N2sing1.33Å1.35ÅAromatic
N4Nsing1.41Å1.33ÅAromatic
N2N1doub1.29Å1.31ÅAromatic
NN1sing1.29Å1.32ÅAromatic
NC2sing1.46Å1.46Å
CC1sing1.53Å1.45Å
C1C2sing1.53Å1.50Å
N3H1sing0.97Å1.00Å
C6H2sing1.08Å1.08Å
C7H3sing1.08Å1.08Å
C8H4sing1.08Å1.08Å
C2H5sing1.09Å1.10Å
C2H6sing1.09Å1.10Å
C1H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
CH9sing1.09Å1.10Å
CH10sing1.09Å1.10Å
CH11sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8C7C6107.0°107.0°
C7C8O1110.7°108.8°
C8C7H3126.5°126.4°
C7C8H4124.6°125.6°
C7C6C5106.8°106.7°
C7C6H2126.6°126.6°
C6C7H3126.5°126.5°
C8O1C5106.0°109.4°
O1C8H4124.6°125.6°
C6C5O1109.5°108.0°
C6C5C4132.4°125.9°
C5C6H2126.6°126.7°
O1C5C4117.5°126.0°
C5C4O121.5°120.0°
C5C4N3115.0°119.9°
OC4N3123.6°120.0°
C4N3C3128.4°119.9°
C4N3H1115.8°120.0°
N3C3N4123.7°126.2°
N3C3N2123.1°126.3°
C3N3H1115.8°120.0°
N4C3N2113.1°107.5°
C3N4N101.0°105.9°
C3N2N1105.6°109.9°
N4NN1114.2°107.0°
N4NC2123.0°126.5°
N2N1N106.1°109.6°
N1NC2122.8°126.5°
NC2C1111.8°109.4°
NC2H5108.9°109.5°
NC2H6108.9°109.5°
CC1C2110.6°109.4°
CC1H7109.2°109.4°
CC1H8109.2°109.5°
C1CH9109.5°109.5°
C1CH10109.5°109.5°
C1CH11109.4°109.5°
C1C2H5108.9°109.4°
C1C2H6108.9°109.5°
C2C1H7109.2°109.4°
C2C1H8109.2°109.5°
H5C2H6109.5°109.5°
H7C1H8109.4°109.5°
H9CH10109.4°109.5°
H9CH11109.4°109.4°
H10CH11109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8C7C6H3180.0°179.8°
C7C8O1H4180.0°179.8°
C8C7C6C50.4°0.0°
C7C8O1C50.3°0.4°
C8C7C6H2179.6°180.0°
C6C7C8O10.0°0.2°
C7C6C5H2180.0°179.9°
C7C6C5O10.6°0.3°
C7C6C5C4169.8°180.0°
C6C7C8H4180.0°180.0°
C8O1C5C60.5°0.4°
C8O1C5C4171.5°179.9°
O1C8C7H3180.0°180.0°
C6C5O1C4172.0°179.7°
C6C5C4O173.3°0.1°
C6C5C4N37.2°180.0°
C5C6C7H3179.7°179.8°
O1C5C4O16.9°179.7°
O1C5C4N3162.6°0.4°
O1C5C6H2179.4°179.8°
C5O1C8H4179.7°179.8°
C5C4ON3179.5°180.0°
C5C4N3C3178.7°180.0°
C5C4N3H11.3°0.0°
C4C5C6H210.2°0.1°
OC4N3C30.8°0.0°
OC4N3H1179.1°180.0°
C4N3C3H1180.0°180.0°
C4N3C3N435.4°180.0°
C4N3C3N2148.9°0.1°
N3C3N4N2176.0°179.9°
N3C3N4N175.0°179.9°
N3C3N2N1174.4°180.0°
N4C3N2N11.6°0.1°
C3N4NN10.1°0.0°
C3N4NC2178.7°180.0°
N4C3N3H1144.6°0.0°
N2C3N4N1.1°0.0°
C3N2N1N1.4°0.1°
N2C3N3H131.1°180.0°
N4NN1N20.9°0.1°
N4NN1C2178.6°180.0°
N4NC2C162.4°90.1°
N4NC2H558.0°150.0°
N4NC2H6177.3°29.9°
N2N1NC2177.7°180.0°
N1NC2C1119.1°90.0°
N1NC2H5120.5°30.0°
N1NC2H61.2°150.0°
NC2C1C59.3°180.0°
NC2C1H5120.3°119.9°
NC2C1H6120.3°120.0°
NC2H5H6118.9°120.0°
NC2C1H7179.5°60.1°
NC2C1H860.9°60.0°
CC1C2H7120.2°119.9°
CC1C2H8120.2°120.0°
CC1C2H5179.6°60.1°
CC1C2H661.1°60.0°
CC1H7H8119.5°120.1°
C1CH9H10120.0°120.1°
C1CH9H11120.0°120.0°
C1CH10H11120.0°120.0°
C1C2H5H6119.0°120.0°
C2C1H7H8119.5°120.0°
C2C1CH9180.0°60.1°
C2C1CH1060.0°60.0°
C2C1CH1160.0°180.0°
H2C6C7H30.3°0.1°
H3C7C8H40.0°0.2°
H5C2C1H760.2°180.0°
H5C2C1H859.4°60.0°
H6C2C1H759.1°60.0°
H6C2C1H8178.8°NaN°
H7C1CH959.8°180.0°
H7C1CH1060.2°60.0°
H7C1CH11179.8°60.1°
H8C1CH959.8°60.0°
H8C1CH10179.8°180.0°
H8C1CH1160.2°60.0°
H9CH10H11120.0°119.9°

222036

PDB entries from 2024-07-03

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