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MJB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5sing1.53Å1.56Å
C4N3sing1.47Å1.52Å
O9C8sing1.43Å1.41Å
C5N6sing1.47Å1.52Å
C8C7sing1.53Å1.54Å
C7N3sing1.47Å1.47Å
N3C2sing1.47Å1.53Å
N6C1sing1.47Å1.49Å
C2C1sing1.53Å1.53Å
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
N6H7sing1.01Å1.00Å
C2H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C7H13sing1.09Å1.10Å
O9H14sing0.97Å0.95Å
C1H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4N3117.8°109.4°
C4C5N6114.0°109.4°
C5C4H1107.4°109.5°
C5C4H2107.4°109.5°
C4C5H3108.3°109.5°
C4C5H4108.3°109.5°
C4N3C7107.9°111.0°
C4N3C2119.9°110.9°
N3C4H1107.4°109.5°
N3C4H2107.4°109.5°
O9C8C7112.8°109.4°
O9C8H5108.6°109.5°
O9C8H6108.6°109.5°
C8O9H14109.5°114.0°
C5N6C1115.4°110.9°
N6C5H3108.3°109.5°
N6C5H4108.3°109.5°
C5N6H7108.0°111.0°
C8C7N3110.0°109.5°
C7C8H5108.6°109.5°
C7C8H6108.6°109.5°
C8C7H12109.4°109.5°
C8C7H13109.3°109.5°
C7N3C2111.6°111.1°
N3C7H12109.3°109.5°
N3C7H13109.3°109.5°
N3C2C1113.8°109.4°
N3C2H9108.4°109.5°
N3C2H10108.4°109.4°
N6C1C2117.5°109.4°
C1N6H7108.0°111.1°
N6C1H15107.4°109.4°
N6C1H16107.4°109.5°
C1C2H9108.4°109.5°
C1C2H10108.4°109.5°
C2C1H15107.4°109.5°
C2C1H16107.4°109.5°
H1C4H2109.5°109.5°
H3C5H4109.5°109.4°
H5C8H6109.5°109.5°
H9C2H10109.4°109.5°
H12C7H13109.5°109.5°
H15C1H16109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4N3H1121.2°120.0°
C5C4N3H2121.2°119.9°
C4C5N6H3120.7°120.0°
C4C5N6H4120.7°120.0°
C5C4N3C7158.1°176.8°
C5C4N3C228.9°59.2°
C4C5N6C137.9°59.3°
C5C4H1H2116.2°120.0°
C4C5H3H4117.9°120.0°
C4C5N6H7158.7°64.6°
N3C4C5N60.9°58.4°
C4N3C7C8136.2°170.0°
C4N3C7C2133.7°123.8°
C4N3C2C116.9°59.3°
N3C4H1H2116.2°120.1°
N3C4C5H3121.6°178.4°
N3C4C5H4119.8°61.6°
C4N3C2H9137.5°179.3°
C4N3C2H10103.8°60.7°
C4N3C7H12103.7°70.0°
C4N3C7H1316.1°50.0°
O9C8C7H5120.5°120.0°
O9C8C7H6120.5°120.0°
O9C8C7N3151.7°65.0°
O9C8H5H6118.5°120.0°
O9C8C7H1288.2°175.0°
O9C8C7H1331.7°55.0°
C5N6C1H7120.9°123.9°
C5N6C1C251.7°59.4°
N6C5C4H1122.1°178.4°
N6C5C4H2120.3°61.6°
N6C5H3H4117.9°120.1°
C5N6C1H1569.4°179.3°
C5N6C1H16172.9°60.7°
C8C7N3H12120.1°120.0°
C8C7N3H13120.1°120.0°
C8C7N3C290.2°66.2°
C7C8H5H6118.5°120.0°
C8C7H12H13119.8°120.0°
C7C8O9H14180.0°180.0°
C7N3C2C1144.4°176.8°
C7N3C4H180.7°56.8°
C7N3C4H236.9°63.3°
N3C7C8H531.2°175.0°
N3C7C8H687.8°55.0°
C7N3C2H995.0°56.8°
C7N3C2H1023.7°63.2°
N3C7H12H13119.7°120.0°
N3C2C1N622.8°58.4°
N3C2C1H9120.7°120.0°
N3C2C1H10120.7°119.9°
C2N3C4H1150.1°179.2°
C2N3C4H292.3°60.7°
N3C2H9H10118.1°120.0°
C2N3C7H1230.0°53.8°
C2N3C7H13149.8°173.8°
N3C2C1H1598.4°178.4°
N3C2C1H16143.9°61.6°
N6C1C2H15121.1°119.9°
N6C1C2H16121.2°120.0°
C1N6C5H382.8°179.3°
C1N6C5H4158.5°60.6°
N6C1C2H997.9°178.4°
N6C1C2H10143.4°61.5°
N6C1H15H16116.4°120.0°
C2C1N6H7172.6°64.5°
C1C2H9H10118.0°120.1°
C2C1H15H16116.4°120.1°
H1C4C5H3117.2°61.6°
H1C4C5H41.4°58.4°
H2C4C5H30.4°58.4°
H2C4C5H4119.0°178.4°
H3C5N6H738.1°55.4°
H4C5N6H780.6°175.4°
H5C8C7H12151.3°55.0°
H5C8C7H1388.8°65.0°
H5C8O9H1459.5°60.0°
H6C8C7H1232.3°65.0°
H6C8C7H13152.1°175.0°
H6C8O9H1459.5°60.1°
H7N6C1H1551.5°55.4°
H7N6C1H1666.2°175.4°
H9C2C1H15141.0°61.7°
H9C2C1H1623.3°58.4°
H10C2C1H1522.3°58.4°
H10C2C1H1695.4°178.5°

217705

PDB entries from 2024-03-27

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