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3MA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N9C4sing1.37Å1.39ÅAromatic
N9C8sing1.36Å1.37ÅAromatic
N9HN9sing0.97Å1.02Å
C4N3sing1.33Å1.37ÅAromatic
C4C5doub1.41Å1.38ÅAromatic
N3CN3sing1.46Å1.45Å
N3C2doub1.32Å1.34ÅAromatic
CN3H31sing1.09Å1.12Å
CN3H32sing1.09Å1.11Å
CN3H33sing1.09Å1.12Å
C2N1sing1.32Å1.34ÅAromatic
C2H2sing1.08Å1.10Å
N1C6doub1.33Å1.33ÅAromatic
C6N6sing1.38Å1.32Å
C6C5sing1.41Å1.43ÅAromatic
N6HN61sing0.97Å1.01Å
N6HN62sing0.97Å1.02Å
C5N7sing1.35Å1.40ÅAromatic
N7C8doub1.30Å1.31ÅAromatic
C8H8sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4N9C8105.4°107.4°
C4N9HN9127.8°126.3°
N9C4N3127.2°134.9°
N9C4C5106.4°106.0°
C8N9HN9126.8°126.3°
N9C8N7114.0°110.0°
N9C8H8125.0°125.0°
N3C4C5126.4°119.1°
C4N3CN3127.3°119.7°
C4N3C2109.5°120.6°
C4C5C6117.4°118.2°
C4C5N7109.8°107.1°
CN3N3C2123.2°119.7°
N3CN3H31127.3°109.5°
N3CN3H32106.0°109.4°
N3CN3H33106.0°109.5°
N3C2N1130.3°122.5°
N3C2H2115.2°118.7°
H31CN3H32106.0°109.5°
H31CN3H33105.9°109.4°
H32CN3H33103.5°109.5°
N1C2H2114.5°118.8°
C2N1C6118.7°121.2°
N1C6N6117.9°120.8°
N1C6C5117.6°118.4°
N6C6C5124.5°120.8°
C6N6HN61118.0°120.0°
C6N6HN62119.9°120.0°
C6C5N7132.8°134.7°
HN61N6HN62122.1°120.0°
C5N7C8104.4°109.4°
N7C8H8121.0°125.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4N9C8HN9179.9°179.8°
N9C4N3C5179.3°179.1°
N9C4N3CN31.2°0.7°
N9C4N3C2179.6°179.7°
N9C4C5C6179.9°179.8°
N9C4C5N70.3°0.3°
C4N9C8N70.4°0.2°
C4N9C8H8179.5°179.8°
C8N9C4N3179.0°179.4°
C8N9C4C50.4°0.3°
N9C8N7C50.2°0.0°
N9C8N7H8179.9°180.0°
HN9N9C4N31.0°0.7°
HN9N9C4C5179.6°179.9°
HN9N9C8N7179.6°180.0°
HN9N9C8H80.4°0.1°
C4N3CN3C2179.1°179.7°
C4N3CN3H31180.0°149.7°
C4N3CN3H3254.7°90.3°
C4N3CN3H3354.8°29.7°
C4N3C2N10.9°0.4°
C4N3C2H2179.1°179.7°
N3C4C5C60.5°0.5°
N3C4C5N7179.1°179.6°
C5C4N3CN3178.1°179.8°
C5C4N3C21.1°0.6°
C4C5C6N10.5°0.2°
C4C5C6N6178.4°179.8°
C4C5C6N7179.4°179.8°
C4C5N7C80.1°0.2°
N3CN3H31H32125.3°120.0°
N3CN3H31H33125.2°120.0°
N3CN3H32H33111.3°120.0°
CN3N3C2N1178.3°180.0°
CN3N3C2H21.7°0.0°
C2N3CN3H310.9°30.0°
C2N3CN3H32126.2°90.1°
C2N3CN3H33124.3°149.9°
N3C2N1H2179.9°179.9°
N3C2N1C60.1°0.1°
H31CN3H32H33111.2°120.0°
C2N1C6N6178.3°180.0°
C2N1C6C50.7°0.0°
H2C2N1C6180.0°180.0°
N1C6N6C5178.9°180.0°
N1C6N6HN61176.5°0.0°
N1C6N6HN622.4°180.0°
N1C6C5N7179.9°179.9°
C6N6HN61HN62178.9°180.0°
N6C6C5N71.0°0.1°
C5C6N6HN614.6°180.0°
C5C6N6HN62176.5°0.0°
C6C5N7C8179.5°180.0°
C5N7C8H8179.7°180.0°

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PDB entries from 2024-09-25

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