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TB8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C08C09doub1.38Å1.39ÅAromatic
C08C07sing1.38Å1.39ÅAromatic
C09C10sing1.38Å1.39ÅAromatic
C07C06doub1.38Å1.39ÅAromatic
C10CL1sing1.74Å1.80Å
C10C05doub1.40Å1.39ÅAromatic
C06C05sing1.40Å1.39ÅAromatic
C05C04sing1.47Å1.48Å
C03C04doub1.35Å1.33Å
C03C02sing1.46Å1.48Å
O13N12sing1.42Å1.39Å
N12C02sing1.35Å1.33Å
C02O01doub1.22Å1.22Å
C09H1sing1.08Å1.08Å
C08H2sing1.08Å1.08Å
C07H3sing1.08Å1.08Å
C06H4sing1.08Å1.08Å
C04H5sing1.08Å1.08Å
C03H6sing1.08Å1.08Å
N12H7sing0.97Å1.00Å
O13H8sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C09C08C07120.2°120.4°
C08C09C10120.0°120.2°
C08C09H1120.0°119.9°
C09C08H2119.9°119.8°
C08C07C06119.8°120.2°
C07C08H2119.9°119.8°
C08C07H3120.1°119.9°
C09C10CL1120.2°120.1°
C09C10C05119.8°119.8°
C10C09H1120.0°119.9°
C07C06C05120.1°119.8°
C06C07H3120.1°119.9°
C07C06H4119.9°120.1°
CL1C10C05120.0°120.1°
C10C05C06120.1°119.6°
C10C05C04119.9°120.2°
C06C05C04120.0°120.2°
C05C06H4120.0°120.1°
C05C04C03119.0°120.0°
C05C04H5120.5°120.0°
C04C03C02121.7°120.0°
C03C04H5120.5°120.0°
C04C03H6119.2°120.0°
C03C02N12118.5°120.0°
C03C02O01120.4°120.0°
C02C03H6119.2°120.0°
O13N12C02120.0°120.0°
O13N12H7120.0°119.9°
N12O13H8109.5°114.1°
N12C02O01121.1°120.0°
C02N12H7120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C09C08C07H2180.0°179.9°
C08C09C10H1180.0°179.9°
C09C08C07C060.1°0.0°
C08C09C10CL1179.9°180.0°
C08C09C10C050.2°0.2°
C09C08C07H3179.9°180.0°
C07C08C09C100.2°0.0°
C08C07C06H3180.0°180.0°
C08C07C06C050.1°0.2°
C07C08C09H1179.8°179.9°
C08C07C06H4179.9°180.0°
C09C10CL1C05179.9°179.8°
C09C10C05C060.0°0.5°
C09C10C05C04179.8°179.7°
C10C09C08H2179.8°179.9°
C07C06C05C100.1°0.5°
C07C06C05H4180.0°179.8°
C07C06C05C04179.7°179.7°
C06C07C08H2179.9°179.9°
CL1C10C05C06179.9°179.8°
CL1C10C05C040.2°0.0°
CL1C10C09H10.1°0.1°
C10C05C06C04179.8°179.8°
C10C05C04C03124.3°180.0°
C05C10C09H1179.8°179.8°
C10C05C06H4179.9°179.8°
C10C05C04H555.7°0.0°
C06C05C04C0355.5°0.2°
C05C06C07H3179.9°179.8°
C06C05C04H5124.5°179.8°
C05C04C03H5180.0°180.0°
C05C04C03C02179.8°180.0°
C04C05C06H40.3°0.1°
C05C04C03H60.2°0.0°
C04C03C02H6180.0°180.0°
C04C03C02N12174.3°180.0°
C04C03C02O015.4°0.0°
C03C02N12O13137.1°180.0°
C03C02N12O01179.7°180.0°
C02C03C04H50.2°0.0°
C03C02N12H742.9°0.0°
O13N12C02H7180.0°180.0°
O13N12C02O0143.2°0.0°
N12C02C03H65.7°0.0°
C02N12O13H819.0°179.9°
O01C02C03H6174.6°180.0°
O01C02N12H7136.8°180.0°
H1C09C08H20.2°0.1°
H2C08C07H30.1°0.1°
H3C07C06H40.1°0.0°
H5C04C03H6179.8°180.0°
H7N12O13H8161.0°0.1°

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PDB entries from 2024-08-07

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