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A1CDM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5N4sing1.46Å1.45Å
C5C6sing1.50Å1.50Å
N4S2sing1.67Å1.63Å
C7C6doub1.39Å1.39ÅAromatic
C7C8sing1.38Å1.39ÅAromatic
C6C11sing1.38Å1.38ÅAromatic
C8C9doub1.38Å1.38ÅAromatic
S2C11sing1.77Å1.75Å
S2O1doub1.42Å1.43Å
S2O3doub1.42Å1.43Å
C11C10doub1.38Å1.39ÅAromatic
C9C10sing1.38Å1.39ÅAromatic
C5H5Asing1.09Å1.10Å
C5H5Bsing1.09Å1.10Å
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C10H10sing1.08Å1.08Å
C9H9sing1.08Å1.08Å
N4H4sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4C5C6101.9°114.6°
C5N4S2112.9°105.0°
N4C5H5A111.3°108.5°
N4C5H5B111.3°108.5°
C5N4H4108.6°127.5°
C5C6C7128.9°128.7°
C5C6C11112.8°113.4°
C6C5H5A111.3°108.5°
C6C5H5B111.3°108.5°
N4S2C1191.6°101.1°
N4S2O1110.8°107.4°
N4S2O3110.7°107.4°
S2N4H4108.6°127.5°
C6C7C8120.2°120.7°
C7C6C11118.1°117.9°
C6C7H7119.9°119.7°
C7C8C9120.4°120.5°
C8C7H7119.9°119.6°
C7C8H8119.8°119.8°
C6C11S2109.7°106.0°
C6C11C10122.9°121.7°
C8C9C10120.4°119.3°
C9C8H8119.8°119.7°
C8C9H9119.8°120.4°
C11S2O1112.2°107.3°
C11S2O3112.0°107.3°
S2C11C10127.3°132.4°
O1S2O3116.8°124.0°
C11C10C9118.0°119.9°
C11C10H10121.0°120.0°
C9C10H10121.0°120.1°
C10C9H9119.8°120.3°
H5AC5H5B109.5°108.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4C5C6H5A118.8°121.3°
N4C5C6H5B118.8°121.3°
C5N4S2H4120.5°180.0°
N4C5C6C7158.4°180.0°
N4C5C6C1126.6°0.0°
C5N4S2C1128.3°0.0°
C5N4S2O186.3°112.3°
C5N4S2O3142.6°112.3°
N4C5H5AH5B123.5°117.5°
C6C5N4S235.4°0.0°
C5C6C7C11174.7°180.0°
C5C6C7C8174.4°180.0°
C5C6C11S28.8°0.0°
C5C6C11C10175.1°180.0°
C6C5H5AH5B123.5°117.5°
C5C6C7H75.6°0.0°
C6C5N4H4155.9°180.0°
N4S2C11C610.7°0.0°
N4S2C11O1113.2°112.3°
N4S2C11O3113.1°112.3°
N4S2O1O3127.9°126.1°
N4S2C11C10165.3°179.9°
S2N4C5H5A154.2°121.4°
S2N4C5H5B83.3°121.4°
C6C7C8H7180.0°180.0°
C6C7C8C90.1°0.0°
C7C6C11S2175.7°180.0°
C7C6C11C100.4°0.0°
C7C6C5H5A39.7°58.7°
C7C6C5H5B82.8°58.7°
C6C7C8H8180.0°180.0°
C8C7C6C110.3°0.0°
C7C8C9H8180.0°180.0°
C7C8C9C100.0°0.1°
C7C8C9H9180.0°179.9°
C6C11S2C10175.9°179.9°
C6C11S2O1102.6°112.3°
C6C11S2O3123.8°112.3°
C6C11C10C90.3°0.1°
C11C6C5H5A145.4°121.3°
C11C6C5H5B92.1°121.3°
C11C6C7H7179.7°180.0°
C6C11C10H10179.7°180.0°
C8C9C10C110.1°0.2°
C8C9C10H9180.0°179.9°
C9C8C7H7179.9°180.0°
C8C9C10H10179.9°180.0°
C11S2O1O3131.2°125.9°
S2C11C10C9175.1°179.9°
S2C11C10H104.9°0.1°
C11S2N4H4148.8°180.0°
O1S2C11C1081.5°67.6°
O1S2N4H434.2°67.7°
O3S2C11C1052.1°67.7°
O3S2N4H496.9°67.7°
C11C10C9H10180.0°179.9°
C11C10C9H9179.9°179.9°
C10C9C8H8179.9°179.9°
H5AC5N4H485.3°58.6°
H5BC5N4H437.2°58.6°
H7C7C8H80.0°0.0°
H8C8C9H90.1°0.0°
H10C10C9H90.1°0.0°

247536

PDB entries from 2026-01-14

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