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JB8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C10C09doub1.35Å1.40ÅAromatic
C10N11sing1.37Å1.35ÅAromatic
C09C06sing1.46Å1.44ÅAromatic
N11C05sing1.38Å1.38ÅAromatic
C06C05doub1.41Å1.38ÅAromatic
C06C07sing1.40Å1.42ÅAromatic
C05C04sing1.39Å1.42ÅAromatic
C07C08doub1.36Å1.40ÅAromatic
C04C03doub1.39Å1.40ÅAromatic
C08C03sing1.40Å1.40ÅAromatic
C03B02sing1.57Å1.67Å
O12B02sing1.42Å1.43Å
O01B02sing1.42Å1.44Å
C10H1sing1.08Å1.08Å
O01H2sing0.97Å0.95Å
C04H3sing1.08Å1.08Å
C07H4sing1.08Å1.08Å
C08H5sing1.08Å1.08Å
C09H6sing1.08Å1.08Å
N11H7sing0.97Å1.00Å
O12H8sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C09C10N11107.5°110.0°
C10C09C06108.0°107.1°
C09C10H1126.3°125.0°
C10C09H6126.0°126.5°
C10N11C05110.4°109.9°
N11C10H1126.3°125.0°
C10N11H7124.8°125.0°
C09C06C05105.3°106.0°
C09C06C07134.9°133.9°
C06C09H6126.0°126.5°
N11C05C06108.9°107.1°
N11C05C04130.9°133.4°
C05N11H7124.8°125.1°
C05C06C07119.8°120.1°
C06C05C04120.2°119.4°
C06C07C08119.9°120.0°
C06C07H4120.1°120.0°
C05C04C03120.2°119.7°
C05C04H3119.9°120.1°
C07C08C03120.3°120.4°
C08C07H4120.1°120.0°
C07C08H5119.8°119.8°
C04C03C08119.6°120.4°
C04C03B02120.3°119.8°
C03C04H3119.9°120.2°
C08C03B02120.1°119.8°
C03C08H5119.8°119.8°
C03B02O12118.0°120.0°
C03B02O01118.7°120.0°
O12B02O01116.0°120.0°
B02O12H8109.5°114.0°
B02O01H2109.5°114.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C09C10N11H1180.0°179.7°
C10C09C06H6180.0°180.0°
C09C10N11C050.0°0.0°
C10C09C06C050.0°0.0°
C10C09C06C07179.8°180.0°
C09C10N11H7180.0°179.9°
N11C10C09C060.0°0.0°
C10N11C05H7180.0°179.9°
C10N11C05C060.0°0.0°
C10N11C05C04179.9°180.0°
N11C10C09H6180.0°180.0°
C09C06C05N110.0°0.0°
C09C06C05C07179.8°180.0°
C09C06C05C04179.9°180.0°
C09C06C07C08179.8°180.0°
C06C09C10H1180.0°179.7°
C09C06C07H40.3°0.1°
N11C05C06C04179.9°180.0°
N11C05C06C07179.8°180.0°
N11C05C04C03179.9°180.0°
C05N11C10H1180.0°179.7°
N11C05C04H30.1°0.1°
C05C06C07C080.1°0.0°
C06C05C04C030.0°0.0°
C06C05C04H3180.0°179.9°
C05C06C07H4180.0°179.9°
C05C06C09H6180.0°180.0°
C06C05N11H7180.0°179.9°
C07C06C05C040.1°0.0°
C06C07C08H4180.0°179.9°
C06C07C08C030.1°0.0°
C06C07C08H5179.9°180.0°
C07C06C09H60.3°0.0°
C05C04C03H3180.0°179.9°
C05C04C03C080.2°0.0°
C05C04C03B02179.3°180.0°
C04C05N11H70.1°0.1°
C07C08C03C040.2°0.0°
C07C08C03H5180.0°180.0°
C07C08C03B02179.3°180.0°
C04C03C08B02179.5°180.0°
C04C03B02O12160.7°180.0°
C04C03B02O0111.8°0.0°
C04C03C08H5179.8°180.0°
C08C03B02O1218.7°0.0°
C08C03B02O01167.7°180.0°
C08C03C04H3179.8°179.9°
C03C08C07H4179.9°179.9°
C03B02O12O01149.7°180.0°
C03B02O01H2180.0°180.0°
B02C03C04H30.7°0.1°
B02C03C08H50.7°0.0°
C03B02O12H8180.0°180.0°
O12B02O01H230.5°0.0°
O01B02O12H830.3°0.0°
H1C10C09H60.0°0.3°
H1C10N11H70.0°0.2°
H4C07C08H50.1°0.1°

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PDB entries from 2024-06-12

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