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JGD

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C03N02sing1.47Å1.48Å
C09C08doub1.38Å1.38ÅAromatic
C09C04sing1.39Å1.41ÅAromatic
C08N07sing1.32Å1.36ÅAromatic
N02C04sing1.39Å1.38Å
N02C01sing1.47Å1.47Å
C04C05doub1.39Å1.41ÅAromatic
N07C06doub1.32Å1.36ÅAromatic
C05C06sing1.38Å1.37ÅAromatic
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C03H032sing1.09Å1.10Å
C03H033sing1.09Å1.10Å
C03H031sing1.09Å1.10Å
C05H051sing1.08Å1.08Å
C06H061sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C09H091sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C03N02C04121.0°120.0°
C03N02C01120.0°120.0°
N02C03H032109.5°109.5°
N02C03H033109.5°109.4°
N02C03H031109.5°109.4°
C08C09C04121.7°119.1°
C09C08N07120.4°120.8°
C09C08H081119.8°119.6°
C08C09H091119.1°120.4°
C09C04N02122.9°120.9°
C09C04C05115.5°118.2°
C04C09H091119.2°120.5°
C08N07C06119.9°121.9°
N07C08H081119.8°119.6°
C04N02C01118.8°120.0°
N02C04C05121.3°120.9°
N02C01H011109.5°109.5°
N02C01H012109.5°109.5°
N02C01H013109.5°109.5°
C04C05C06121.3°119.1°
C04C05H051119.3°120.5°
N07C06C05120.9°120.8°
N07C06H061119.5°119.6°
C06C05H051119.3°120.4°
C05C06H061119.6°119.6°
H011C01H012109.4°109.5°
H011C01H013109.4°109.5°
H012C01H013109.4°109.4°
H032C03H033109.5°109.5°
H032C03H031109.5°109.5°
H033C03H031109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C03N02C04C090.4°0.2°
C03N02C04C01175.0°180.0°
C03N02C04C05172.9°180.0°
C03N02C01H011180.0°90.0°
C03N02C01H01260.0°30.0°
C03N02C01H01360.0°149.9°
N02C03H032H033120.0°120.0°
N02C03H032H031120.0°120.0°
N02C03H033H031120.0°119.9°
C08C09C04H091180.0°179.5°
C09C08N07H081180.0°179.7°
C08C09C04N02177.2°179.7°
C08C09C04C053.5°0.6°
C09C08N07C060.7°0.3°
C04C09C08N071.1°0.6°
C09C04N02C05173.3°179.7°
C09C04N02C01175.4°179.7°
C09C04C05C064.5°0.3°
C09C04C05H051175.5°179.7°
C04C09C08H081178.9°179.7°
C08N07C06C050.3°0.0°
C08N07C06H061179.7°180.0°
N07C08C09H091178.9°179.9°
N02C04C05C06178.3°180.0°
C04N02C01H0115.0°90.0°
C04N02C01H012125.0°150.0°
C04N02C01H013115.0°30.0°
C04N02C03H032180.0°90.0°
C04N02C03H03360.0°150.0°
C04N02C03H03160.0°30.1°
N02C04C05H0511.7°0.0°
N02C04C09H0912.8°0.2°
C01N02C04C052.1°0.0°
N02C01H011H012120.0°120.0°
N02C01H011H013120.0°120.0°
N02C01H012H013120.0°120.0°
C01N02C03H0325.1°90.0°
C01N02C03H033125.1°30.1°
C01N02C03H031114.9°150.0°
C04C05C06N073.0°0.0°
C04C05C06H051180.0°180.0°
C04C05C06H061177.0°180.0°
C05C04C09H091176.4°180.0°
N07C06C05H061180.0°179.9°
N07C06C05H051177.0°180.0°
C06N07C08H081179.3°180.0°
H011C01H012H013119.9°120.1°
H032C03H033H031120.0°120.1°
H051C05C06H0613.0°0.1°
H081C08C09H0911.1°0.2°

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PDB entries from 2024-10-30

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