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92K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O11C09doub1.21Å1.25Å
O10C09sing1.35Å1.28Å
C09C07sing1.49Å1.52Å
O08C07doub1.21Å1.21Å
C07C05sing1.47Å1.53Å
C05C06doub1.40Å1.39ÅAromatic
C05C04sing1.41Å1.40ÅAromatic
N12C04sing1.39Å1.41Å
C06C01sing1.38Å1.38ÅAromatic
C04C03doub1.39Å1.38ÅAromatic
C01C02doub1.39Å1.38ÅAromatic
C03C02sing1.38Å1.38ÅAromatic
O10H1sing0.97Å0.95Å
C01H2sing1.08Å1.08Å
C02H3sing1.08Å1.08Å
C03H4sing1.08Å1.08Å
C06H5sing1.08Å1.08Å
N12H6sing0.97Å1.00Å
N12H7sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O11C09O10119.2°120.0°
O11C09C07118.0°120.0°
O10C09C07122.6°120.0°
C09O10H1109.5°117.0°
C09C07O08115.3°120.0°
C09C07C05127.8°120.0°
O08C07C05116.8°120.0°
C07C05C06116.5°120.2°
C07C05C04125.2°120.3°
C06C05C04118.3°119.5°
C05C06C01121.1°119.9°
C05C06H5119.4°120.1°
C05C04N12121.8°120.2°
C05C04C03120.7°119.6°
N12C04C03117.6°120.1°
C04N12H6109.5°120.1°
C04N12H7109.4°120.0°
C06C01C02120.0°120.4°
C06C01H2120.0°119.8°
C01C06H5119.5°120.0°
C04C03C02120.3°120.1°
C04C03H4119.8°120.0°
C01C02C03119.6°120.5°
C02C01H2120.0°119.8°
C01C02H3120.2°119.8°
C03C02H3120.2°119.7°
C02C03H4119.9°120.0°
H6N12H7109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O11C09O10C07176.0°180.0°
O11C09C07O08110.4°173.8°
O11C09C07C0567.5°6.3°
O11C09O10H10.0°0.0°
O10C09C07O0865.7°6.2°
O10C09C07C05116.4°173.7°
C09C07O08C05178.2°179.9°
C09C07C05C06166.2°6.4°
C09C07C05C0413.6°174.1°
C07C09O10H1176.1°180.0°
O08C07C05C0611.7°173.5°
O08C07C05C04168.5°5.9°
C07C05C06C04179.8°179.5°
C07C05C04N120.1°0.3°
C07C05C06C01179.9°180.0°
C07C05C04C03180.0°179.8°
C07C05C06H50.1°0.5°
C06C05C04N12180.0°179.8°
C05C06C01H5180.0°179.5°
C06C05C04C030.2°0.3°
C05C06C01C020.3°0.5°
C05C06C01H2179.7°179.7°
C05C04N12C03179.9°179.8°
C04C05C06C010.2°0.5°
C05C04C03C020.2°0.1°
C05C04C03H4179.8°179.9°
C04C05C06H5179.8°180.0°
C05C04N12H6180.0°174.5°
C05C04N12H760.0°5.6°
N12C04C03C02179.9°180.0°
N12C04C03H40.1°0.1°
C04N12H6H7120.0°179.9°
C06C01C02H2180.0°179.8°
C06C01C02C030.3°0.3°
C06C01C02H3179.7°179.7°
C04C03C02C010.3°0.1°
C04C03C02H4180.0°179.9°
C04C03C02H3179.7°179.9°
C03C04N12H60.1°5.4°
C03C04N12H7120.1°174.6°
C01C02C03H3180.0°180.0°
C01C02C03H4179.7°180.0°
C02C01C06H5179.7°180.0°
C03C02C01H2179.7°179.9°
H2C01C02H30.3°0.0°
H2C01C06H50.3°0.2°
H3C02C03H40.3°0.0°

224572

PDB entries from 2024-09-04

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