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9BE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S01C02doub1.60Å1.67Å
C07C06doub1.38Å1.40ÅAromatic
C07C08sing1.38Å1.38ÅAromatic
C02N03sing1.35Å1.42Å
C06C05sing1.38Å1.40ÅAromatic
C08C09doub1.38Å1.40ÅAromatic
C05C04sing1.51Å1.53Å
C05C10doub1.38Å1.39ÅAromatic
N03C04sing1.46Å1.45Å
C09C10sing1.38Å1.39ÅAromatic
C02H2sing1.08Å1.08Å
C04H3sing1.09Å1.10Å
C04H4sing1.09Å1.10Å
C06H5sing1.08Å1.08Å
C07H6sing1.08Å1.08Å
C08H7sing1.08Å1.08Å
C09H8sing1.08Å1.08Å
C10H9sing1.08Å1.08Å
N03H1sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
S01C02N03120.2°120.0°
S01C02H2119.9°120.0°
C06C07C08120.0°120.0°
C07C06C05120.1°120.0°
C07C06H5119.9°120.0°
C06C07H6120.0°120.0°
C07C08C09119.8°120.0°
C08C07H6120.0°120.0°
C07C08H7120.1°120.0°
C02N03C04120.6°120.0°
N03C02H2119.9°120.0°
C02N03H1119.7°120.0°
C06C05C04120.2°120.0°
C06C05C10119.8°120.0°
C05C06H5119.9°120.0°
C08C09C10120.4°120.0°
C09C08H7120.1°120.0°
C08C09H8119.8°120.0°
C04C05C10120.0°120.0°
C05C04N03109.6°109.5°
C05C04H3109.4°109.5°
C05C04H4109.4°109.5°
C05C10C09119.9°120.0°
C05C10H9120.0°120.0°
N03C04H3109.5°109.5°
N03C04H4109.4°109.5°
C04N03H1119.7°120.0°
C10C09H8119.8°120.0°
C09C10H9120.1°120.0°
H3C04H4109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S01C02N03H2180.0°179.7°
S01C02N03C041.1°0.0°
S01C02N03H1178.9°180.0°
C06C07C08H6180.0°180.0°
C07C06C05H5180.0°179.9°
C06C07C08C090.5°0.0°
C07C06C05C04179.4°180.0°
C07C06C05C100.2°0.3°
C06C07C08H7179.5°180.0°
C08C07C06C050.5°0.0°
C07C08C09H7180.0°180.0°
C07C08C09C100.3°0.2°
C08C07C06H5179.5°180.0°
C07C08C09H8179.7°180.0°
C02N03C04C05113.5°180.0°
C02N03C04H1180.0°180.0°
C02N03C04H3126.5°60.0°
C02N03C04H46.5°60.0°
C06C05C04C10179.2°179.7°
C06C05C04N0323.1°89.7°
C06C05C10C090.0°0.6°
C06C05C04H3143.2°150.3°
C06C05C04H496.9°30.3°
C05C06C07H6179.5°180.0°
C06C05C10H9180.0°179.7°
C08C09C10C050.0°0.5°
C08C09C10H8180.0°179.7°
C09C08C07H6179.5°180.0°
C08C09C10H9179.9°179.8°
C05C04N03H3120.1°120.0°
C05C04N03H4120.0°120.0°
C04C05C10C09179.2°179.7°
C05C04H3H4119.9°120.0°
C04C05C06H50.5°0.0°
C04C05C10H90.8°0.0°
C05C04N03H166.5°0.0°
C10C05C04N03157.6°90.0°
C05C10C09H9180.0°179.7°
C10C05C04H337.6°30.0°
C10C05C04H482.4°150.0°
C10C05C06H5179.8°179.7°
C05C10C09H8180.0°179.7°
C04N03C02H2178.9°179.7°
N03C04H3H4119.9°120.0°
C10C09C08H7179.7°179.8°
H2C02N03H11.1°0.3°
H3C04N03H153.5°120.0°
H4C04N03H1173.5°120.0°
H5C06C07H60.5°0.0°
H6C07C08H70.5°0.0°
H7C08C09H80.3°0.0°
H8C09C10H90.1°0.0°

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PDB entries from 2024-10-09

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