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37T

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O6C6doub1.23Å1.25Å
C6N1sing1.40Å1.36Å
C6C5sing1.43Å1.49Å
N1C2sing1.42Å1.37Å
N1HN1sing1.02Å1.00Å
C5C4doub1.37Å1.45Å
C5N7sing1.36Å1.34Å
N7C8sing1.37Å1.36Å
N7C13sing1.44Å1.46Å
C13H131sing1.09Å1.10Å
C13H132sing1.09Å1.10Å
C13H133sing1.09Å1.10Å
C8N9doub1.32Å1.36Å
C8H8sing1.08Å1.08Å
N9C4sing1.37Å1.35Å
C4N3sing1.39Å1.34Å
N3C12sing1.46Å1.46Å
N3C2sing1.42Å1.35Å
C12H121sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H123sing1.09Å1.10Å
C2O2doub1.23Å1.25Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O6C6N1121.3°123.5°
O6C6C5122.9°125.4°
N1C6C5115.8°111.1°
C6N1C2122.4°128.3°
C6N1HN1118.8°115.9°
C6C5C4118.4°124.1°
C6C5N7134.5°130.8°
C2N1HN1118.8°115.8°
N1C2N3123.1°115.7°
N1C2O2118.0°120.5°
C4C5N7107.1°105.1°
C5C4N9107.4°111.7°
C5C4N3120.2°121.8°
C5N7C8107.7°106.9°
C5N7C13125.7°127.4°
C8N7C13126.6°125.7°
N7C8N9111.4°112.1°
N7C8H8124.3°122.3°
N7C13H131109.5°107.9°
N7C13H132109.4°109.5°
N7C13H133109.5°109.3°
H131C13H132109.5°110.5°
H131C13H133109.4°110.6°
H132C13H133109.5°109.1°
N9C8H8124.3°125.6°
C8N9C4106.4°104.2°
N9C4N3132.4°126.5°
C4N3C12119.1°120.2°
C4N3C2120.1°119.0°
C12N3C2120.8°120.8°
N3C12H121109.5°110.1°
N3C12H122109.5°110.3°
N3C12H123109.4°110.2°
N3C2O2118.9°123.8°
H121C12H122109.5°108.8°
H121C12H123109.5°108.8°
H122C12H123109.5°108.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O6C6N1C5179.5°180.0°
O6C6N1C2180.0°179.9°
O6C6N1HN10.0°0.0°
O6C6C5C4179.6°179.9°
O6C6C5N70.7°0.0°
C6N1C2HN1180.0°179.9°
N1C6C5C40.2°0.1°
N1C6C5N7179.8°179.9°
C6N1C2N30.5°0.1°
C6N1C2O2179.4°180.0°
C5C6N1C20.5°0.1°
C5C6N1HN1179.5°180.0°
C6C5C4N7179.7°179.9°
C6C5N7C8179.5°179.9°
C6C5N7C130.4°0.0°
C6C5C4N9179.4°179.9°
C6C5C4N30.2°0.0°
N1C2N3C40.0°0.0°
N1C2N3C12180.0°180.0°
N1C2N3O2179.8°180.0°
HN1N1C2N3179.5°180.0°
HN1N1C2O20.7°0.0°
C4C5N7C80.2°0.0°
C4C5N7C13180.0°179.9°
C5C4N9C80.2°0.0°
C5C4N9N3179.1°180.0°
C5C4N3C12179.7°180.0°
C5C4N3C20.3°0.0°
C5N7C8C13179.8°180.0°
C5N7C13H13197.5°15.4°
C5N7C13H13222.5°104.9°
C5N7C13H133142.5°135.6°
C5N7C8N90.1°0.1°
C5N7C8H8180.0°180.0°
N7C5C4N90.3°0.0°
N7C5C4N3179.5°179.9°
C8N7C13H13182.2°164.6°
C8N7C13H132157.8°75.2°
C8N7C13H13337.7°44.3°
N7C8N9H8180.0°179.9°
N7C8N9C40.1°0.0°
N7C13H131H132120.0°119.6°
N7C13H131H133120.0°119.4°
N7C13H132H133120.0°119.5°
C13N7C8N9179.9°179.9°
C13N7C8H80.2°0.0°
H131C13H132H133120.0°121.8°
C8N9C4N3179.3°180.0°
H8C8N9C4179.9°180.0°
N9C4N3C120.7°0.0°
N9C4N3C2179.3°179.9°
C4N3C12C2180.0°180.0°
C4N3C12H12113.5°117.0°
C4N3C12H122133.5°3.0°
C4N3C12H123106.5°123.1°
C4N3C2O2179.8°180.0°
N3C12H121H122120.0°120.9°
N3C12H121H123120.0°120.8°
N3C12H122H123120.0°120.9°
C12N3C2O20.2°0.0°
C2N3C12H121166.5°63.0°
C2N3C12H12246.6°177.0°
C2N3C12H12373.4°56.9°
H121C12H122H123120.0°118.3°

217705

PDB entries from 2024-03-27

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