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724

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N1N2sing1.40Å1.39Å
N1C3sing1.35Å1.39Å
N1C12sing1.46Å1.40Å
N2C14sing1.39Å1.40Å
C3C13sing1.47Å1.44Å
C3O19doub1.22Å1.27Å
N4C5sing1.35Å1.36Å
N4C8sing1.34Å1.42Å
C5C6sing1.52Å1.58Å
C5O10doub1.21Å1.20Å
C6N7sing1.47Å1.48Å
C6C11sing1.53Å1.55Å
C6C12sing1.53Å1.59Å
N7C8sing1.35Å1.40Å
C8O9doub1.22Å1.23Å
C13C14doub1.40Å1.44ÅAromatic
C13C18sing1.39Å1.40ÅAromatic
C14C15sing1.39Å1.37ÅAromatic
C15C16doub1.38Å1.39ÅAromatic
C16C17sing1.39Å1.45ÅAromatic
C17C18doub1.38Å1.44ÅAromatic
C17O20sing1.36Å1.38Å
O20C21sing1.43Å1.44Å
N2HN2sing0.97Å1.00Å
N4HN4sing0.97Å1.00Å
N7HN7sing0.97Å1.00Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C11H11Bsing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C21H21Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2N1C3117.2°109.4°
N2N1C12121.4°125.3°
N1N2C14100.5°109.4°
N1N2HN2112.6°125.3°
C3N1C12121.2°125.3°
N1C3C13103.9°107.2°
N1C3O19127.2°126.4°
N1C12C6106.6°109.5°
N1C12H12110.4°109.5°
N1C12H12A110.5°109.5°
N2C14C13113.6°107.4°
N2C14C15126.3°133.0°
C14N2HN2112.6°125.3°
C13C3O19128.8°126.4°
C3C13C14104.7°106.6°
C3C13C18130.9°133.4°
C5N4C8108.0°111.6°
N4C5C6111.4°105.7°
N4C5O10126.8°127.2°
C5N4HN4126.0°124.2°
N4C8N7109.5°112.5°
N4C8O9122.9°123.8°
C8N4HN4126.0°124.2°
C6C5O10121.7°127.1°
C5C6N798.0°103.6°
C5C6C11110.8°110.6°
C5C6C12112.8°110.6°
N7C6C11109.4°110.6°
N7C6C12112.2°110.6°
C6N7C8112.4°106.6°
C6N7HN7123.8°126.7°
C11C6C12112.8°110.7°
C6C11H11109.5°109.4°
C6C11H11A109.5°109.5°
C6C11H11B109.5°109.5°
C6C12H12110.5°109.5°
C6C12H12A110.4°109.4°
N7C8O9127.6°123.7°
C8N7HN7123.8°126.7°
C14C13C18124.3°120.0°
C13C14C15120.0°119.6°
C13C18C17114.8°119.7°
C13C18H18122.6°120.2°
C14C15C16118.3°120.0°
C14C15H15120.9°120.0°
C15C16C17122.4°120.5°
C16C15H15120.8°120.0°
C15C16H16118.8°119.7°
C16C17C18120.2°120.2°
C16C17O20124.3°119.9°
C17C16H16118.8°119.8°
C18C17O20115.6°119.9°
C17C18H18122.6°120.1°
C17O20C21120.4°117.0°
O20C21H21109.5°109.5°
O20C21H21A109.4°109.5°
O20C21H21B109.5°109.5°
H11C11H11A109.4°109.5°
H11C11H11B109.5°109.5°
H11AC11H11B109.5°109.5°
H12C12H12A108.5°109.5°
H21C21H21A109.5°109.4°
H21C21H21B109.5°109.4°
H21AC21H21B109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2N1C3C12175.8°179.7°
N1N2C14HN2120.0°180.0°
N2N1C3C131.9°0.0°
N2N1C3O19179.5°180.0°
N2N1C12C682.2°90.0°
N1N2C14C131.3°0.0°
N1N2C14C15177.2°180.0°
N2N1C12H1237.8°30.0°
N2N1C12H12A157.8°150.1°
C3N1N2C142.0°0.0°
N1C3C13O19177.5°180.0°
C3N1C12C693.4°89.7°
N1C3C13C140.9°0.0°
N1C3C13C18177.9°180.0°
C3N1N2HN2118.0°180.0°
C3N1C12H12146.6°150.3°
C3N1C12H12A26.6°30.3°
C12N1N2C14173.8°179.7°
C12N1C3C13173.9°179.7°
C12N1C3O193.6°0.2°
N1C12C6C560.3°180.0°
N1C12C6N749.3°65.9°
N1C12C6C11173.3°57.1°
N1C12C6H12120.0°120.0°
N1C12C6H12A120.0°120.0°
C12N1N2HN266.2°0.3°
N1C12H12H12A121.2°120.0°
N2C14C13C30.2°0.0°
N2C14C13C15178.6°180.0°
N2C14C13C18179.2°180.0°
N2C14C15C16177.9°180.0°
N2C14C15H152.2°0.0°
C3C13C14C18179.0°180.0°
C3C13C14C15178.3°180.0°
C3C13C18C17177.3°179.9°
C3C13C18H182.7°0.0°
O19C3C13C14178.4°180.0°
O19C3C13C180.5°0.0°
C5N4C8HN4180.0°179.7°
N4C5C6O10178.0°179.9°
N4C5C6N78.6°0.1°
N4C5C6C11122.9°118.5°
N4C5C6C12109.6°118.5°
C5N4C8N73.8°0.0°
C5N4C8O9176.5°179.9°
C8N4C5C68.0°0.0°
C8N4C5O10174.1°179.9°
N4C8N7C62.1°0.1°
N4C8N7O9179.6°179.9°
N4C8N7HN7177.9°180.0°
C5C6N7C11115.4°118.6°
C5C6N7C12118.7°118.5°
C5C6C11C12127.5°122.9°
C5C6N7C86.1°0.1°
C6C5N4HN4172.0°179.7°
C5C6N7HN7173.9°180.0°
C5C6C11H11180.0°60.7°
C5C6C11H11A60.0°179.3°
C5C6C11H11B60.0°59.3°
C5C6C12H1259.7°59.9°
C5C6C12H12A179.7°60.0°
O10C5C6N7173.4°179.9°
O10C5C6C1159.1°61.4°
O10C5C6C1268.4°61.6°
O10C5N4HN45.9°0.4°
N7C6C11C12125.6°122.9°
C6N7C8HN7180.0°179.9°
C6N7C8O9177.5°179.9°
N7C6C11H1173.1°174.9°
N7C6C11H11A46.9°65.1°
N7C6C11H11B166.9°54.9°
N7C6C12H12169.3°54.2°
N7C6C12H12A70.8°174.2°
C11C6N7C8121.5°118.5°
C11C6N7HN758.5°61.5°
C6C11H11H11A120.0°120.0°
C6C11H11H11B120.0°120.0°
C6C11H11AH11B120.0°120.0°
C11C6C12H1266.7°177.1°
C11C6C12H12A53.3°62.9°
C12C6N7C8112.6°118.6°
C12C6N7HN767.4°61.5°
C12C6C11H1152.5°62.2°
C12C6C11H11A172.5°57.8°
C12C6C11H11B67.5°177.8°
C6C12H12H12A121.1°120.0°
N7C8N4HN4176.2°179.6°
O9C8N4HN43.5°0.2°
O9C8N7HN72.5°0.1°
C13C14C15C160.5°0.0°
C14C13C18C171.4°0.1°
C13C14N2HN2118.7°180.0°
C13C14C15H15179.5°180.0°
C14C13C18H18178.6°180.0°
C18C13C14C150.7°0.1°
C13C18C17C161.0°0.1°
C13C18C17H18180.0°179.9°
C13C18C17O20179.1°179.9°
C14C15C16H15180.0°180.0°
C14C15C16C170.8°0.0°
C15C14N2HN262.8°0.0°
C14C15C16H16179.2°180.0°
C15C16C17H16180.0°179.9°
C15C16C17C180.0°0.1°
C15C16C17O20179.9°180.0°
C16C17C18O20179.9°180.0°
C16C17O20C2124.2°0.0°
C17C16C15H15179.2°180.0°
C16C17C18H18179.0°180.0°
C18C17O20C21155.7°179.9°
C18C17C16H16180.0°180.0°
O20C17C16H160.2°0.0°
O20C17C18H180.9°0.0°
C17O20C21H21180.0°180.0°
C17O20C21H21A60.0°60.0°
C17O20C21H21B60.0°59.9°
O20C21H21H21A120.0°120.0°
O20C21H21H21B120.0°120.1°
O20C21H21AH21B120.0°120.1°
H11C11H11AH11B120.0°120.0°
H15C15C16H160.8°0.0°
H21C21H21AH21B120.0°119.9°

223790

PDB entries from 2024-08-14

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