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48M

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NC6doub1.29Å1.28Å
NC7sing1.47Å1.48Å
CG1CD1doub1.38Å1.40ÅAromatic
CG1CD2sing1.38Å1.40ÅAromatic
CG1C8sing1.51Å1.53Å
CG2CD3doub1.38Å1.40ÅAromatic
CG2CD4sing1.38Å1.39ÅAromatic
CG2C7sing1.51Å1.53Å
CG3CD5doub1.40Å1.40ÅAromatic
CG3CD6sing1.40Å1.41ÅAromatic
CG3C6sing1.48Å1.50Å
CD1CE1sing1.38Å1.40ÅAromatic
CD2CE2doub1.38Å1.39ÅAromatic
CD3CE3sing1.38Å1.40ÅAromatic
CD4CE4doub1.38Å1.39ÅAromatic
CD5CE5sing1.38Å1.39ÅAromatic
CD6CE6doub1.38Å1.40ÅAromatic
CD6O6sing1.36Å1.38Å
CE1CZ1doub1.38Å1.39ÅAromatic
CE2CZ1sing1.38Å1.39ÅAromatic
CE3CZ2doub1.38Å1.40ÅAromatic
CE4CZ2sing1.38Å1.39ÅAromatic
CE5CZ3doub1.40Å1.39ÅAromatic
CE6CZ3sing1.40Å1.39ÅAromatic
CZ3CM1sing1.43Å1.44Å
CM1NM1trip1.14Å1.14Å
CM2C9sing1.53Å1.54Å
CM3C9sing1.53Å1.54Å
C1N1sing1.33Å1.34Å
C1O1doub1.21Å1.22Å
C1C4sing1.50Å1.53Å
N1C2sing1.46Å1.47Å
C2C3sing1.53Å1.54Å
N2C3sing1.47Å1.48Å
N2C4sing1.47Å1.49Å
N2C5sing1.35Å1.36Å
N3C5sing1.35Å1.35Å
N3C6sing1.38Å1.42Å
N3C8sing1.47Å1.47Å
C5O5doub1.22Å1.22Å
O6C9sing1.43Å1.45Å
C7C8sing1.54Å1.57Å
CZ1CL2sing1.74Å1.73Å
CE4CL1sing1.74Å1.73Å
CD1HD1sing1.08Å1.08Å
CD2HD2sing1.08Å1.08Å
CD3HD3sing1.08Å1.08Å
CD4HD4sing1.08Å1.08Å
CD5HD5sing1.08Å1.08Å
CE1HE1sing1.08Å1.08Å
CE2HE2sing1.08Å1.08Å
CE3HE3sing1.08Å1.08Å
CE5HE5sing1.08Å1.08Å
CE6HE6sing1.08Å1.08Å
CZ2HZ2sing1.08Å1.08Å
CM2HM21sing1.09Å1.10Å
CM2HM22sing1.09Å1.10Å
CM2HM23sing1.09Å1.10Å
CM3HM31sing1.09Å1.10Å
CM3HM32sing1.09Å1.10Å
CM3HM33sing1.09Å1.10Å
N1HN1sing0.97Å1.00Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C3H31sing1.09Å1.10Å
C3H32sing1.09Å1.10Å
C4H41sing1.09Å1.10Å
C4H42sing1.09Å1.10Å
C7H7sing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C9H9sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6NC7110.4°110.2°
NC6CG3120.3°123.0°
NC6N3114.2°114.1°
NC7CG2111.2°110.5°
NC7C8103.1°104.1°
NC7H7108.4°110.5°
CD1CG1CD2119.0°120.1°
CD1CG1C8121.8°119.9°
CG1CD1CE1120.4°120.0°
CG1CD1HD1119.8°120.0°
CD2CG1C8118.9°120.0°
CG1CD2CE2120.3°120.0°
CG1CD2HD2119.8°120.0°
CG1C8N3114.2°110.7°
CG1C8C7115.0°110.6°
CG1C8H8108.0°110.6°
CD3CG2CD4118.2°120.0°
CD3CG2C7120.5°120.0°
CG2CD3CE3120.7°120.0°
CG2CD3HD3119.7°120.0°
CD4CG2C7121.3°120.0°
CG2CD4CE4121.5°120.0°
CG2CD4HD4119.2°120.0°
CG2C7C8118.8°110.5°
CG2C7H7107.7°110.5°
CD5CG3CD6118.1°119.9°
CD5CG3C6116.8°120.0°
CG3CD5CE5121.4°120.1°
CG3CD5HD5119.3°120.0°
CD6CG3C6125.0°120.1°
CG3CD6CE6119.9°119.9°
CG3CD6O6120.4°120.1°
CG3C6N3124.9°123.0°
CD1CE1CZ1119.9°120.0°
CE1CD1HD1119.8°120.0°
CD1CE1HE1120.0°120.0°
CD2CE2CZ1120.2°120.0°
CE2CD2HD2119.9°119.9°
CD2CE2HE2119.9°120.0°
CD3CE3CZ2120.1°120.0°
CE3CD3HD3119.7°120.0°
CD3CE3HE3119.9°120.0°
CD4CE4CZ2119.9°120.0°
CD4CE4CL1118.4°120.0°
CE4CD4HD4119.3°120.0°
CD5CE5CZ3120.0°120.1°
CE5CD5HD5119.3°119.9°
CD5CE5HE5120.0°120.0°
CE6CD6O6119.6°120.1°
CD6CE6CZ3120.8°119.9°
CD6CE6HE6119.6°120.0°
CD6O6C9125.1°117.0°
CE1CZ1CE2120.1°120.0°
CE1CZ1CL2120.5°120.0°
CZ1CE1HE1120.1°120.0°
CE2CZ1CL2119.5°120.0°
CZ1CE2HE2119.9°120.0°
CE3CZ2CE4119.4°120.0°
CZ2CE3HE3119.9°120.0°
CE3CZ2HZ2120.3°120.0°
CZ2CE4CL1121.7°120.0°
CE4CZ2HZ2120.3°120.0°
CE5CZ3CE6119.5°120.0°
CE5CZ3CM1119.3°120.0°
CZ3CE5HE5120.0°119.9°
CE6CZ3CM1121.2°119.9°
CZ3CE6HE6119.6°120.1°
CZ3CM1NM1178.4°179.9°
CM2C9CM3110.6°109.5°
CM2C9O6109.9°109.5°
C9CM2HM21109.5°109.5°
C9CM2HM22109.5°109.5°
C9CM2HM23109.4°109.5°
CM2C9H9109.3°109.5°
CM3C9O6107.3°109.5°
C9CM3HM31109.5°109.5°
C9CM3HM32109.5°109.5°
C9CM3HM33109.5°109.4°
CM3C9H9109.3°109.5°
N1C1O1118.1°118.5°
N1C1C4118.8°123.0°
C1N1C2124.5°124.6°
C1N1HN1117.8°117.7°
O1C1C4123.1°118.5°
C1C4N2117.5°108.9°
C1C4H41107.4°109.6°
C1C4H42107.5°109.5°
N1C2C3112.4°110.8°
C2N1HN1117.7°117.7°
N1C2H21108.8°109.3°
N1C2H22108.7°109.3°
C2C3N2111.9°108.2°
C3C2H21108.7°109.1°
C3C2H22108.7°109.2°
C2C3H31108.9°109.7°
C2C3H32108.9°109.7°
C3N2C4112.3°117.4°
C3N2C5124.8°121.3°
N2C3H31108.9°109.7°
N2C3H32108.9°109.7°
C4N2C5119.9°121.2°
N2C4H41107.4°109.2°
N2C4H42107.4°109.9°
N2C5N3119.5°120.0°
N2C5O5119.6°120.0°
C5N3C6132.6°125.9°
C5N3C8119.4°125.9°
N3C5O5120.8°120.0°
C6N3C8106.0°108.3°
N3C8C7102.9°103.3°
N3C8H8108.8°110.6°
O6C9H9110.5°109.4°
C8C7H7107.2°110.6°
C7C8H8107.6°110.8°
HM21CM2HM22109.5°109.4°
HM21CM2HM23109.5°109.4°
HM22CM2HM23109.5°109.5°
HM31CM3HM32109.4°109.5°
HM31CM3HM33109.5°109.4°
HM32CM3HM33109.5°109.5°
H21C2H22109.5°109.2°
H31C3H32109.5°109.7°
H41C4H42109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6NC7CG2135.0°118.7°
NC6CG3CD523.6°57.6°
NC6CG3CD6156.6°122.7°
NC6CG3N3171.4°180.0°
NC6N3C5147.6°180.0°
NC6N3C815.8°0.0°
C6NC7C86.7°0.0°
C6NC7H7106.8°118.8°
NC7C8CG1109.7°118.5°
NC7CG2CD3114.2°141.5°
NC7CG2CD463.4°38.3°
NC7CG2C8119.3°114.7°
NC7CG2H7118.6°122.6°
C7NC6CG3167.0°180.0°
C7NC6N35.3°0.0°
NC7C8N315.1°0.0°
NC7C8H7114.3°118.7°
NC7C8H8129.9°118.5°
CD1CG1CD2C8174.0°179.7°
CG1CD1CE1HD1180.0°180.0°
CD1CG1CD2CE24.4°0.0°
CG1CD1CE1CZ11.1°0.0°
CD1CG1C8N321.7°141.4°
CD1CG1C8C796.9°104.7°
CD1CG1CD2HD2175.6°180.0°
CG1CD1CE1HE1178.9°180.0°
CD1CG1C8H8142.9°18.5°
CD2CG1CD1CE14.2°0.0°
CG1CD2CE2HD2180.0°180.0°
CG1CD2CE2CZ11.6°0.0°
CD2CG1C8N3164.4°38.8°
CD2CG1C8C776.9°75.1°
CD2CG1CD1HD1175.8°180.0°
CG1CD2CE2HE2178.4°180.0°
CD2CG1C8H843.2°161.8°
CG1C8C7CG213.8°0.2°
C8CG1CD1CE1169.7°179.7°
C8CG1CD2CE2169.6°179.7°
CG1C8N3C586.7°61.6°
CG1C8N3C6107.2°118.4°
CG1C8N3C7125.3°118.4°
CG1C8N3H8120.8°123.0°
CG1C8C7H8120.4°123.1°
C8CG1CD1HD110.3°0.2°
C8CG1CD2HD210.4°0.3°
CG1C8C7H7136.0°122.9°
CD3CG2CD4C7177.7°179.8°
CG2CD3CE3HD3180.0°180.0°
CD3CG2CD4CE45.9°0.1°
CG2CD3CE3CZ21.4°0.1°
CD3CG2C7C8126.4°103.8°
CD3CG2CD4HD4174.1°180.0°
CG2CD3CE3HE3178.6°180.0°
CD3CG2C7H74.4°18.9°
CD4CG2CD3CE32.5°0.1°
CG2CD4CE4HD4180.0°179.9°
CG2CD4CE4CZ25.4°0.1°
CD4CG2C7C855.9°76.4°
CG2CD4CE4CL1172.4°179.9°
CD4CG2CD3HD3177.5°179.9°
CD4CG2C7H7178.0°160.9°
C7CG2CD3CE3179.8°179.7°
C7CG2CD4CE4176.4°179.7°
CG2C7C8N3138.6°118.7°
CG2C7C8H7122.3°122.6°
C7CG2CD3HD30.2°0.3°
C7CG2CD4HD43.6°0.1°
CG2C7C8H8106.7°122.8°
CD5CG3CD6C6179.9°179.8°
CG3CD5CE5HD5180.0°180.0°
CD5CG3CD6CE65.2°0.0°
CD5CG3CD6O6171.6°180.0°
CG3CD5CE5CZ30.8°0.0°
CD5CG3C6N3165.0°122.4°
CG3CD5CE5HE5179.2°180.0°
CD6CG3CD5CE54.6°0.0°
CG3CD6CE6O6176.8°180.0°
CG3CD6CE6CZ32.0°0.0°
CD6CG3C6N314.9°57.4°
CG3CD6O6C9150.0°174.1°
CD6CG3CD5HD5175.3°180.0°
CG3CD6CE6HE6178.0°180.0°
C6CG3CD5CE5175.2°179.8°
C6CG3CD6CE6174.7°179.8°
C6CG3CD6O68.6°0.2°
CG3C6N3C540.4°0.0°
CG3C6N3C8156.1°180.0°
C6CG3CD5HD54.8°0.3°
CD1CE1CZ1HE1180.0°179.9°
CD1CE1CZ1CE21.8°0.0°
CD1CE1CZ1CL2176.6°180.0°
CD2CE2CZ1CE11.6°0.0°
CD2CE2CZ1HE2180.0°180.0°
CD2CE2CZ1CL2176.8°180.0°
CD3CE3CZ2HE3180.0°179.9°
CD3CE3CZ2CE42.1°0.1°
CD3CE3CZ2HZ2177.9°180.0°
CD4CE4CZ2CE31.3°0.1°
CD4CE4CZ2CL1177.7°180.0°
CD4CE4CZ2HZ2178.7°180.0°
CD5CE5CZ3HE5180.0°180.0°
CD5CE5CZ3CE62.5°0.0°
CD5CE5CZ3CM1176.9°180.0°
CD6CE6CZ3CE51.9°0.0°
CD6CE6CZ3HE6180.0°179.9°
CD6CE6CZ3CM1177.5°180.0°
CE6CD6O6C926.8°5.9°
O6CD6CE6CZ3174.8°180.0°
CD6O6C9CM265.6°155.2°
CD6O6C9CM3174.1°84.8°
O6CD6CE6HE65.2°0.0°
CD6O6C9H955.0°35.2°
CE1CZ1CE2CL2178.4°180.0°
CZ1CE1CD1HD1178.9°180.0°
CE1CZ1CE2HE2178.4°179.9°
CZ1CE2CD2HD2178.4°180.0°
CE2CZ1CE1HE1178.2°180.0°
CE3CZ2CE4HZ2180.0°179.9°
CE3CZ2CE4CL1176.4°179.9°
CZ2CE3CD3HD3178.6°179.9°
CZ2CE4CD4HD4174.6°180.0°
CE4CZ2CE3HE3177.9°180.0°
CE5CZ3CE6CM1179.5°180.0°
CE5CZ3CM1NM126.5°73.4°
CZ3CE5CD5HD5179.2°180.0°
CE5CZ3CE6HE6178.1°180.0°
CE6CZ3CM1NM1153.0°106.6°
CE6CZ3CE5HE5177.5°180.0°
CM1CZ3CE5HE53.1°0.0°
CM1CZ3CE6HE62.5°0.0°
CM2C9CM3O6119.8°120.0°
CM2C9CM3H9120.4°120.0°
CM2C9O6H9120.6°120.0°
C9CM2HM21HM22120.0°120.0°
C9CM2HM21HM23120.0°120.0°
C9CM2HM22HM23120.0°120.0°
CM2C9CM3HM31180.0°60.0°
CM2C9CM3HM3260.0°180.0°
CM2C9CM3HM3360.0°60.0°
CM3C9O6H9119.1°120.0°
CM3C9CM2HM21180.0°60.0°
CM3C9CM2HM2260.0°180.0°
CM3C9CM2HM2360.0°60.0°
C9CM3HM31HM32120.0°120.0°
C9CM3HM31HM33120.0°119.9°
C9CM3HM32HM33120.0°120.0°
N1C1O1C4179.8°179.8°
C1N1C2HN1180.0°179.9°
C1N1C2C317.7°21.9°
N1C1C4N22.9°12.3°
C1N1C2H21138.2°98.3°
C1N1C2H22102.7°142.3°
N1C1C4H41124.0°107.1°
N1C1C4H42118.2°132.6°
O1C1N1C2175.8°175.6°
O1C1C4N2176.9°167.5°
O1C1N1HN14.2°4.2°
O1C1C4H4155.7°73.1°
O1C1C4H4262.0°47.2°
C4C1N1C24.4°4.2°
C1C4N2C332.7°42.4°
C1C4N2H41121.1°119.7°
C1C4N2H42121.2°120.0°
C1C4N2C5165.9°137.4°
C4C1N1HN1175.6°176.0°
C1C4H41H42116.4°120.3°
N1C2C3H21120.5°120.3°
N1C2C3H22120.4°120.4°
N1C2C3N247.3°46.7°
N1C2H21H22118.7°119.5°
N1C2C3H3173.1°166.4°
N1C2C3H32167.6°72.9°
C2C3N2H31120.4°119.7°
C2C3N2H32120.3°119.6°
C2C3N2C454.5°61.3°
C2C3N2C5145.2°118.5°
C3C2N1HN1162.3°158.2°
C3C2H21H22118.7°119.3°
C2C3H31H32118.9°120.6°
C3N2C4C5161.4°179.8°
C3N2C5N337.5°179.0°
C3N2C5O5141.2°1.0°
N2C3C2H21167.7°73.6°
N2C3C2H2273.2°167.1°
N2C3H31H32118.9°120.6°
C3N2C4H41153.9°77.3°
C3N2C4H4288.4°162.4°
C4N2C5N3163.7°0.8°
C4N2C5O517.7°179.2°
C4N2C3H3165.8°179.0°
C4N2C3H32174.9°58.3°
N2C4H41H42116.4°120.5°
N2C5N3O5178.7°180.0°
N2C5N3C617.3°178.6°
N2C5N3C8144.4°1.4°
C5N2C3H3194.5°1.3°
C5N2C3H3224.8°121.9°
C5N2C4H4144.7°102.9°
C5N2C4H4273.0°17.4°
C5N3C6C8163.5°180.0°
C5N3C8C7147.9°180.0°
C5N3C8H834.1°61.4°
C6N3C5O5164.0°1.4°
C6N3C8C718.2°0.0°
C6N3C8H8132.0°118.6°
C8N3C5O534.3°178.5°
N3C8C7H8114.8°118.5°
N3C8C7H799.1°118.7°
O6C9CM2HM2161.7°180.0°
O6C9CM2HM22178.2°60.0°
O6C9CM2HM2358.3°60.0°
O6C9CM3HM3160.1°60.1°
O6C9CM3HM3259.8°60.0°
O6C9CM3HM33179.8°180.0°
CL2CZ1CE1HE13.4°0.0°
CL2CZ1CE2HE23.2°0.1°
CL1CE4CD4HD47.6°0.0°
CL1CE4CZ2HZ23.6°0.0°
HD1CD1CE1HE11.1°0.0°
HD2CD2CE2HE21.6°0.0°
HD3CD3CE3HE31.4°0.0°
HD5CD5CE5HE50.8°0.1°
HE3CE3CZ2HZ22.0°0.1°
HM21CM2HM22HM23120.0°120.0°
HM21CM2C9H959.6°60.0°
HM22CM2C9H960.4°60.0°
HM23CM2C9H9179.6°180.0°
HM31CM3HM32HM33120.0°120.0°
HM31CM3C9H959.7°180.0°
HM32CM3C9H9179.6°60.0°
HM33CM3C9H960.4°60.1°
HN1N1C2H2141.9°81.6°
HN1N1C2H2277.3°37.8°
H21C2C3H3147.4°46.1°
H21C2C3H3271.9°166.7°
H22C2C3H31166.5°73.2°
H22C2C3H3247.2°47.4°
H7C7C8H815.6°0.2°

221051

PDB entries from 2024-06-12

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