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SN6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2doub1.36Å1.40ÅAromatic
C1C6sing1.39Å1.41ÅAromatic
C1H1sing1.08Å1.10Å
C2C3sing1.41Å1.41ÅAromatic
C2H2sing1.08Å1.10Å
C3C4doub1.42Å1.36ÅAromatic
C3N7sing1.34Å1.38ÅAromatic
C4C5sing1.40Å1.40ÅAromatic
C4C10sing1.42Å1.41ÅAromatic
C5C6doub1.36Å1.37ÅAromatic
C5H5sing1.08Å1.10Å
C6H6sing1.08Å1.10Å
N7C8doub1.31Å1.40ÅAromatic
N7C35sing1.47Å1.45Å
C8C9sing1.39Å1.35ÅAromatic
C8H8sing1.08Å1.10Å
C9C10doub1.39Å1.38ÅAromatic
C9H9sing1.08Å1.10Å
C10N11sing1.39Å1.29Å
N11C12sing1.39Å1.33Å
N11HN1sing0.97Å1.02Å
C12C13doub1.39Å1.39ÅAromatic
C12C17sing1.39Å1.42ÅAromatic
C13C14sing1.38Å1.34ÅAromatic
C13H13sing1.08Å1.10Å
C14C15doub1.40Å1.40ÅAromatic
C14H14sing1.08Å1.10Å
C15C16sing1.40Å1.41ÅAromatic
C15C18sing1.48Å1.43Å
C16C17doub1.38Å1.35ÅAromatic
C16H16sing1.08Å1.10Å
C17H17sing1.08Å1.10Å
C18O19doub1.22Å1.24Å
C18N20sing1.35Å1.34Å
N20C21sing1.40Å1.35Å
N20HN2sing0.97Å1.02Å
C21C22doub1.39Å1.40ÅAromatic
C21C26sing1.39Å1.40ÅAromatic
C22C23sing1.38Å1.40ÅAromatic
C22H22sing1.08Å1.10Å
C23C24doub1.39Å1.39ÅAromatic
C23H23sing1.08Å1.10Å
C24C25sing1.39Å1.40ÅAromatic
C24N27sing1.40Å1.34Å
C25C26doub1.38Å1.41ÅAromatic
C25H25sing1.08Å1.10Å
C26H26sing1.08Å1.10Å
N27C28sing1.39Å1.34Å
N27HN7sing0.97Å1.02Å
C28C29doub1.40Å1.36ÅAromatic
C28C33sing1.40Å1.38ÅAromatic
C29C30sing1.38Å1.39ÅAromatic
C29H29sing1.08Å1.10Å
C30N31doub1.32Å1.38ÅAromatic
C30H30sing1.08Å1.10Å
N31C32sing1.32Å1.36ÅAromatic
N31C34sing1.47Å1.51Å
C32C33doub1.38Å1.33ÅAromatic
C32H32sing1.08Å1.10Å
C33H33sing1.08Å1.10Å
C34H341sing1.09Å1.12Å
C34H342sing1.09Å1.11Å
C34H343sing1.09Å1.11Å
C35H351sing1.09Å1.11Å
C35H352sing1.09Å1.12Å
C35H353sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C6119.7°121.1°
C2C1H1119.8°119.5°
C1C2C3120.5°119.7°
C1C2H2119.6°120.1°
C6C1H1120.5°119.5°
C1C6C5118.6°120.8°
C1C6H6122.1°119.6°
C3C2H2119.9°120.2°
C2C3C4118.7°119.1°
C2C3N7120.7°121.0°
C4C3N7120.5°120.0°
C3C4C5121.2°119.7°
C3C4C10119.7°118.9°
C3N7C8119.4°121.7°
C3N7C35123.2°119.1°
C5C4C10119.1°121.4°
C4C5C6121.2°119.6°
C4C5H5120.5°120.2°
C4C10C9119.9°117.9°
C4C10N11116.7°121.0°
C6C5H5118.2°120.2°
C5C6H6119.3°119.6°
C8N7C35117.4°119.2°
N7C8C9120.5°121.9°
N7C8H8121.6°119.1°
N7C35H351123.2°109.5°
N7C35H352107.3°109.5°
N7C35H353107.3°109.4°
C9C8H8117.8°119.0°
C8C9C10120.0°119.7°
C8C9H9119.2°120.2°
C10C9H9120.8°120.1°
C9C10N11123.4°121.1°
C10N11C12132.5°120.0°
C10N11HN1104.2°120.1°
C12N11HN1104.3°120.0°
N11C12C13124.3°119.9°
N11C12C17117.6°119.9°
C13C12C17117.9°120.2°
C12C13C14122.5°120.0°
C12C13H13120.9°120.0°
C12C17C16119.3°120.1°
C12C17H17122.8°120.0°
C14C13H13116.6°120.0°
C13C14C15120.1°119.9°
C13C14H14117.5°120.0°
C15C14H14122.4°120.1°
C14C15C16117.9°119.9°
C14C15C18122.5°120.0°
C16C15C18119.5°120.1°
C15C16C17121.9°119.9°
C15C16H16121.2°120.1°
C15C18O19131.2°120.0°
C15C18N20113.8°119.9°
C17C16H16116.9°120.0°
C16C17H17117.9°119.9°
O19C18N20113.9°120.0°
C18N20C21118.5°119.9°
C18N20HN2120.6°120.0°
C21N20HN2120.9°120.0°
N20C21C22118.8°120.0°
N20C21C26121.3°120.0°
C22C21C26119.8°120.0°
C21C22C23120.9°120.0°
C21C22H22119.3°119.9°
C21C26C25119.0°120.0°
C21C26H26120.3°120.0°
C23C22H22119.8°120.0°
C22C23C24119.5°120.0°
C22C23H23120.8°120.0°
C24C23H23119.7°120.0°
C23C24C25120.0°120.0°
C23C24N27117.8°120.0°
C25C24N27122.2°120.0°
C24C25C26120.8°120.0°
C24C25H25119.3°120.1°
C24N27C28118.7°120.0°
C24N27HN7108.9°120.0°
C26C25H25119.9°120.0°
C25C26H26120.8°120.0°
C28N27HN7109.0°120.0°
N27C28C29121.0°120.8°
N27C28C33116.5°120.9°
C29C28C33122.5°118.3°
C28C29C30119.0°119.0°
C28C29H29119.4°120.5°
C28C33C32116.9°119.1°
C28C33H33123.1°120.4°
C30C29H29121.5°120.4°
C29C30N31118.3°120.8°
C29C30H30121.2°119.6°
N31C30H30120.4°119.6°
C30N31C32119.6°122.0°
C30N31C34122.0°119.0°
C32N31C34118.4°119.0°
N31C32C33123.6°120.8°
N31C32H32119.4°119.6°
N31C34H341121.9°109.5°
N31C34H342107.8°109.5°
N31C34H343107.7°109.5°
C33C32H32117.0°119.5°
C32C33H33120.0°120.5°
H341C34H342107.8°109.5°
H341C34H343107.8°109.5°
H342C34H343102.1°109.4°
H351C35H352107.3°109.5°
H351C35H353107.4°109.5°
H352C35H353102.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C6H1180.0°179.9°
C1C2C3H2180.0°180.0°
C1C2C3C43.1°0.3°
C1C2C3N7178.8°180.0°
C2C1C6C51.5°0.0°
C2C1C6H6178.5°179.9°
C6C1C2C31.2°0.0°
C6C1C2H2178.7°180.0°
C1C6C5C42.4°0.3°
C1C6C5H6180.0°179.9°
C1C6C5H5177.5°179.9°
H1C1C2C3178.8°180.0°
H1C1C2H21.3°0.0°
H1C1C6C5178.4°179.9°
H1C1C6H61.5°0.0°
C2C3C4N7175.7°179.7°
C2C3C4C52.3°0.6°
C2C3C4C10178.7°179.7°
C2C3N7C8178.2°180.0°
C2C3N7C353.2°0.0°
H2C2C3C4176.8°179.7°
H2C2C3N71.1°0.0°
C3C4C5C10179.0°179.1°
C3C4C5C60.5°0.6°
C3C4C5H5179.5°179.6°
C4C3N7C82.6°0.2°
C4C3N7C35178.8°179.7°
C3C4C10C92.9°0.6°
C3C4C10N11179.6°179.8°
N7C3C4C5178.0°179.7°
N7C3C4C103.0°0.5°
C3N7C8C35178.7°179.9°
C3N7C8C92.2°0.0°
C3N7C8H8177.9°180.0°
C3N7C35H351180.0°90.0°
C3N7C35H35254.7°30.0°
C3N7C35H35354.7°150.1°
C4C5C6H5180.0°179.8°
C4C5C6H6177.6°179.8°
C5C4C10C9178.0°179.7°
C5C4C10N110.5°0.6°
C10C4C5C6178.5°179.7°
C10C4C5H51.5°0.5°
C4C10C9C82.5°0.3°
C4C10C9N11177.3°179.6°
C4C10C9H9177.4°179.8°
C4C10N11C12178.4°172.3°
C4C10N11HN156.4°7.6°
H5C5C6H62.4°0.0°
N7C8C9H8179.9°179.9°
N7C8C9C102.2°0.0°
N7C8C9H9177.7°179.9°
C8N7C35H3511.4°89.9°
C8N7C35H352126.7°150.0°
C8N7C35H353123.9°30.0°
C35N7C8C9179.1°180.0°
C35N7C8H80.8°0.1°
N7C35H351H352125.2°120.0°
N7C35H351H353125.3°120.0°
N7C35H352H353112.8°120.0°
C8C9C10H9180.0°179.9°
C8C9C10N11179.9°179.9°
H8C8C9C10177.9°179.9°
H8C8C9H92.2°0.0°
C9C10N11C124.2°8.1°
C9C10N11HN1121.0°172.0°
H9C9C10N110.1°0.1°
C10N11C12HN1125.2°179.9°
C10N11C12C1349.3°140.4°
C10N11C12C17135.3°39.6°
N11C12C13C17175.3°179.9°
N11C12C13C14179.9°179.9°
N11C12C13H130.0°0.0°
N11C12C17C16178.9°179.7°
N11C12C17H171.1°0.1°
HN1N11C12C13174.6°39.6°
HN1N11C12C1710.1°140.3°
C12C13C14H13179.9°180.0°
C12C13C14C154.2°0.1°
C12C13C14H14175.8°180.0°
C13C12C17C165.5°0.2°
C13C12C17H17174.6°179.9°
C17C12C13C144.8°0.0°
C17C12C13H13175.3°180.0°
C12C17C16C155.8°0.5°
C12C17C16H17180.0°179.8°
C12C17C16H16174.1°180.0°
C13C14C15H14180.0°179.9°
C13C14C15C164.1°0.3°
C13C14C15C18179.5°180.0°
H13C13C14C15175.9°180.0°
H13C13C14H144.2°0.1°
C14C15C16C18176.5°179.7°
C14C15C16C175.1°0.5°
C14C15C16H16174.9°179.9°
C14C15C18O19174.6°0.0°
C14C15C18N207.3°180.0°
H14C14C15C16175.8°179.8°
H14C14C15C180.6°0.1°
C15C16C17H16180.0°179.5°
C15C16C17H17174.2°179.7°
C16C15C18O199.0°179.7°
C16C15C18N20176.4°0.3°
C18C15C16C17178.4°179.8°
C18C15C16H161.7°0.2°
C15C18O19N20167.3°180.0°
C15C18N20C21172.3°174.5°
C15C18N20HN27.7°5.5°
H16C16C17H175.8°0.1°
O19C18N20C2118.1°5.5°
O19C18N20HN2162.0°174.5°
C18N20C21HN2180.0°179.9°
C18N20C21C22168.3°146.7°
C18N20C21C2613.9°33.4°
N20C21C22C26177.8°179.9°
N20C21C22C23177.9°180.0°
N20C21C22H222.1°0.1°
N20C21C26C25178.1°179.6°
N20C21C26H261.9°0.1°
HN2N20C21C2211.6°33.2°
HN2N20C21C26166.1°146.7°
C21C22C23H22180.0°179.9°
C21C22C23C240.1°0.1°
C21C22C23H23179.9°179.9°
C22C21C26C250.4°0.2°
C22C21C26H26179.6°180.0°
C26C21C22C230.1°0.1°
C26C21C22H22179.9°180.0°
C21C26C25C240.7°0.6°
C21C26C25H26180.0°179.8°
C21C26C25H25179.3°180.0°
C22C23C24H23180.0°180.0°
C22C23C24C250.4°0.3°
C22C23C24N27178.5°180.0°
H22C22C23C24179.9°180.0°
H22C22C23H230.1°0.0°
C23C24C25N27178.0°179.6°
C23C24C25C260.7°0.6°
C23C24C25H25179.3°180.0°
C23C24N27C2863.2°151.0°
C23C24N27HN762.2°28.9°
H23C23C24C25179.6°179.7°
H23C23C24N271.5°0.1°
C24C25C26H25180.0°179.4°
C24C25C26H26179.4°179.6°
C25C24N27C28118.8°29.3°
C25C24N27HN7115.9°150.7°
N27C24C25C26178.7°179.7°
N27C24C25H251.3°0.4°
C24N27C28HN7125.3°179.9°
C24N27C28C2984.8°32.5°
C24N27C28C3395.2°147.5°
H25C25C26H260.7°0.3°
N27C28C29C33180.0°180.0°
N27C28C29C30178.4°179.7°
N27C28C29H291.5°0.0°
N27C28C33C32178.9°180.0°
N27C28C33H331.1°0.0°
HN7N27C28C2940.5°147.5°
HN7N27C28C33139.5°32.6°
C28C29C30H29180.0°179.7°
C28C29C30N311.5°0.6°
C28C29C30H30178.5°180.0°
C29C28C33C321.1°0.0°
C29C28C33H33179.0°180.0°
C33C28C29C301.5°0.3°
C33C28C29H29178.5°180.0°
C28C33C32N310.6°0.0°
C28C33C32H33180.0°180.0°
C28C33C32H32179.4°180.0°
C29C30N31H30180.0°179.4°
C29C30N31C321.0°0.6°
C29C30N31C34179.5°179.7°
H29C29C30N31178.6°179.7°
H29C29C30H301.5°0.3°
C30N31C32C34178.5°179.7°
C30N31C32C330.6°0.3°
C30N31C32H32179.3°179.7°
C30N31C34H341180.0°90.3°
C30N31C34H34254.7°29.7°
C30N31C34H34354.8°149.7°
H30C30N31C32178.9°180.0°
H30C30N31C340.5°0.3°
N31C32C33H32180.0°180.0°
N31C32C33H33179.4°180.0°
C32N31C34H3411.5°90.0°
C32N31C34H342123.7°150.0°
C32N31C34H343126.8°30.1°
C34N31C32C33179.2°180.0°
C34N31C32H320.8°0.0°
N31C34H341H342125.2°120.0°
N31C34H341H343125.2°120.0°
N31C34H342H343113.3°120.0°
H32C32C33H330.6°0.0°
H341C34H342H343113.4°120.0°
H351C35H352H353112.9°120.0°

224931

PDB entries from 2024-09-11

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