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QSM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20N1sing1.47Å1.48Å
C20C19sing1.53Å1.52Å
N1C21sing1.47Å1.48Å
C19C12sing1.53Å1.53Å
C21C22sing1.53Å1.52Å
C12C22sing1.53Å1.53Å
C12Csing1.51Å1.52Å
CC1doub1.39Å1.40ÅAromatic
CC5sing1.37Å1.40ÅAromatic
C1C2sing1.38Å1.38ÅAromatic
C5C4doub1.40Å1.40ÅAromatic
C9C8sing1.53Å1.51Å
C2C3doub1.39Å1.38ÅAromatic
C4C3sing1.41Å1.41ÅAromatic
C4C7sing1.46Å1.45ÅAromatic
C3Nsing1.38Å1.38ÅAromatic
C7C8sing1.51Å1.52Å
C7C6doub1.36Å1.39ÅAromatic
C8C10sing1.53Å1.51Å
NC6sing1.38Å1.38ÅAromatic
C6C11sing1.48Å1.48Å
C17C11doub1.40Å1.39ÅAromatic
C17C16sing1.38Å1.38ÅAromatic
C11C13sing1.40Å1.39ÅAromatic
C16C15doub1.39Å1.39ÅAromatic
C13C14doub1.38Å1.39ÅAromatic
C15C14sing1.39Å1.41ÅAromatic
C15O1sing1.36Å1.37Å
C23O1sing1.43Å1.43Å
C14Osing1.36Å1.37Å
OC18sing1.43Å1.43Å
N1H22sing1.01Å1.00Å
C5H2sing1.08Å1.08Å
C8H4sing1.09Å1.10Å
C10H8sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C13H12sing1.08Å1.08Å
C17H14sing1.08Å1.08Å
C20H20sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
C22H25sing1.09Å1.10Å
C22H26sing1.09Å1.10Å
C23H27sing1.09Å1.10Å
C23H28sing1.09Å1.10Å
C23H29sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C16H13sing1.08Å1.08Å
NH3sing0.97Å1.00Å
C2H1sing1.08Å1.08Å
C1Hsing1.08Å1.08Å
C9H7sing1.09Å1.10Å
C9H6sing1.09Å1.10Å
C9H5sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C20C19110.7°109.5°
C20N1C21111.6°111.2°
C20N1H22108.9°111.0°
N1C20H20109.2°109.4°
N1C20H21109.1°109.4°
C20C19C12109.0°109.3°
C19C20H20109.2°109.4°
C19C20H21109.2°109.5°
C20C19H18109.6°109.5°
C20C19H19109.6°109.5°
N1C21C22110.7°109.5°
C21N1H22109.0°111.0°
N1C21H23109.2°109.4°
N1C21H24109.1°109.4°
C19C12C22109.4°109.2°
C19C12C116.0°109.5°
C19C12H11105.6°109.6°
C12C19H18109.6°109.6°
C12C19H19109.6°109.5°
C21C22C12109.5°109.3°
C22C21H23109.1°109.5°
C22C21H24109.2°109.5°
C21C22H25109.5°109.5°
C21C22H26109.5°109.4°
C22C12C113.7°109.5°
C12C22H25109.5°109.5°
C12C22H26109.5°109.6°
C22C12H11105.6°109.5°
C12CC1118.5°119.8°
C12CC5122.0°119.7°
CC12H11105.7°109.5°
C1CC5119.5°120.5°
CC1C2121.5°120.8°
CC1H119.3°119.6°
CC5C4119.9°119.8°
CC5H2120.0°120.1°
C1C2C3118.5°119.8°
C1C2H1120.7°120.1°
C2C1H119.2°119.6°
C5C4C3118.7°119.9°
C5C4C7134.6°133.8°
C4C5H2120.0°120.1°
C9C8C7113.7°109.5°
C9C8C10110.1°109.5°
C9C8H4106.7°109.5°
C8C9H7109.5°109.5°
C8C9H6109.5°109.5°
C8C9H5109.5°109.4°
C2C3C4121.8°119.3°
C2C3N130.2°133.3°
C3C2H1120.7°120.1°
C3C4C7106.7°106.2°
C4C3N108.1°107.4°
C4C7C8126.7°126.5°
C4C7C6106.9°107.0°
C3NC6109.5°109.8°
C3NH3125.3°125.1°
C8C7C6126.2°126.5°
C7C8C10112.4°109.5°
C7C8H4106.7°109.4°
C7C6N108.9°109.6°
C7C6C11132.3°125.2°
C10C8H4106.7°109.4°
C8C10H8109.5°109.4°
C8C10H10109.4°109.5°
C8C10H9109.5°109.5°
NC6C11118.7°125.2°
C6NH3125.3°125.1°
C6C11C17120.2°120.0°
C6C11C13120.2°120.1°
C11C17C16121.0°120.0°
C17C11C13119.5°119.9°
C11C17H14119.5°120.0°
C17C16C15119.7°120.2°
C16C17H14119.5°120.0°
C17C16H13120.1°119.9°
C11C13C14120.2°119.9°
C11C13H12119.9°120.1°
C16C15C14119.7°120.1°
C16C15O1124.9°119.9°
C15C16H13120.1°119.9°
C13C14C15119.8°120.0°
C13C14O125.0°120.0°
C14C13H12119.9°120.0°
C14C15O1115.3°120.0°
C15C14O115.2°120.0°
C15O1C23118.2°117.0°
O1C23H27109.5°109.5°
O1C23H28109.5°109.4°
O1C23H29109.5°109.5°
C14OC18118.1°117.0°
OC18H15109.5°109.4°
OC18H17109.5°109.5°
OC18H16109.5°109.5°
H8C10H10109.4°109.4°
H8C10H9109.5°109.4°
H10C10H9109.5°109.5°
H20C20H21109.5°109.5°
H23C21H24109.5°109.5°
H25C22H26109.4°109.5°
H27C23H28109.5°109.5°
H27C23H29109.5°109.5°
H28C23H29109.5°109.4°
H15C18H17109.4°109.4°
H15C18H16109.5°109.5°
H17C18H16109.5°109.5°
H7C9H6109.5°109.5°
H7C9H5109.5°109.5°
H6C9H5109.5°109.5°
H18C19H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C20C19H20120.2°120.0°
N1C20C19H21120.2°120.0°
C20N1C21H22120.3°124.1°
N1C20C19C1258.5°59.2°
C20N1C21C2257.9°61.7°
N1C20H20H21119.4°120.0°
C20N1C21H23178.1°178.2°
C20N1C21H2462.3°58.3°
N1C20C19H18178.4°179.2°
N1C20C19H1961.5°60.7°
C19C20N1C2158.5°61.7°
C20C19C12H18119.9°120.0°
C20C19C12H19119.9°119.9°
C20C19C12C2258.6°57.7°
C20C19C12C171.2°177.5°
C19C20N1H2261.8°62.4°
C19C20H20H21119.4°120.0°
C20C19C12H1154.6°62.3°
C20C19H18H19120.2°120.0°
N1C21C22H23120.2°120.0°
N1C21C22H24120.2°120.0°
N1C21C22C1257.6°59.2°
C21N1C20H2061.7°58.2°
C21N1C20H21178.7°178.3°
N1C21H23H24119.4°119.9°
N1C21C22H2562.4°60.8°
N1C21C22H26177.6°179.2°
C19C12C22C2158.3°57.7°
C19C12C22C131.4°119.9°
C19C12C22H11113.2°120.0°
C19C12CH11116.5°120.2°
C19C12CC1152.1°59.7°
C19C12CC526.3°120.9°
C12C19C20H2061.7°60.8°
C12C19C20H21178.6°179.2°
C19C12C22H2561.7°62.2°
C19C12C22H26178.4°177.6°
C12C19H18H19120.2°120.1°
C21C22C12H25120.0°119.9°
C21C22C12H26120.0°119.9°
C21C22C12C170.2°177.6°
C22C21N1H2262.4°62.4°
C22C21H23H24119.4°120.0°
C21C22H25H26120.0°120.0°
C21C22C12H1154.9°62.4°
C22C12CH11115.3°120.1°
C22C12CC179.8°60.0°
C22C12CC5101.8°119.4°
C12C22C21H23177.8°179.2°
C12C22C21H2462.6°60.8°
C12C22H25H26120.0°120.2°
C22C12C19H18178.6°177.6°
C22C12C19H1961.3°62.2°
C12CC1C5178.4°179.4°
C12CC1C2176.7°180.0°
C12CC5C4175.6°179.8°
C12CC5H24.3°0.2°
CC12C22H2569.7°57.7°
CC12C22H2650.2°62.5°
C12CC1H3.3°0.4°
CC12C19H1851.2°62.5°
CC12C19H1968.9°57.6°
CC1C2H180.0°179.6°
C1CC5C42.7°0.4°
CC1C2C31.1°0.4°
C1CC5H2177.3°179.6°
CC1C2H1178.9°179.6°
C1CC12H1135.5°179.9°
C5CC1C21.7°0.6°
CC5C4H2180.0°180.0°
CC5C4C30.9°0.0°
CC5C4C7177.0°179.7°
C5CC1H178.3°179.7°
C5CC12H11142.9°0.7°
C1C2C3H1180.0°180.0°
C1C2C3C43.0°0.0°
C1C2C3N175.7°180.0°
C5C4C3C22.0°0.2°
C5C4C3C7178.5°179.8°
C5C4C3N176.9°179.8°
C5C4C7C89.9°0.3°
C5C4C7C6175.9°179.7°
C9C8C7C465.8°63.1°
C9C8C7C10126.0°120.0°
C9C8C7H4117.4°120.0°
C9C8C7C6121.1°116.9°
C9C8C10H4115.5°120.1°
C9C8C10H8180.0°54.2°
C9C8C10H1060.0°65.7°
C9C8C10H960.0°174.2°
C8C9H7H6120.0°120.0°
C8C9H7H5120.0°120.0°
C8C9H6H5120.0°120.0°
C2C3C4N178.9°180.0°
C2C3C4C7179.5°180.0°
C2C3NC6179.0°180.0°
C2C3NH31.0°0.1°
C3C2C1H178.9°180.0°
C3C4C7C8172.0°180.0°
C3C4C7C62.3°0.0°
C4C3NC60.3°0.0°
C3C4C5H2179.1°180.0°
C4C3NH3179.7°180.0°
C4C3C2H1177.0°180.0°
C7C4C3N1.5°0.0°
C4C7C8C6173.2°180.0°
C4C7C8C1060.2°56.9°
C4C7C6N2.1°0.0°
C4C7C6C11174.9°180.0°
C7C4C5H23.0°0.3°
C4C7C8H4176.8°176.8°
C3NC6C71.2°0.0°
C3NC6H3180.0°180.0°
C3NC6C11176.3°180.0°
NC3C2H14.3°0.0°
C7C8C10H4116.6°119.9°
C8C7C6N172.1°180.0°
C8C7C6C1110.8°0.0°
C7C8C10H852.1°65.8°
C7C8C10H10172.1°174.2°
C7C8C10H967.9°54.2°
C7C8C9H7180.0°60.0°
C7C8C9H660.0°180.0°
C7C8C9H560.0°60.0°
C6C7C8C10112.9°123.1°
C7C6NC11177.5°179.9°
C7C6C11C17120.1°47.5°
C7C6C11C1365.0°132.4°
C6C7C8H43.7°3.2°
C7C6NH3178.8°180.0°
C8C10H8H10120.0°120.0°
C8C10H8H9120.0°120.0°
C8C10H10H9120.0°120.1°
C10C8C9H752.8°180.0°
C10C8C9H6172.8°60.0°
C10C8C9H567.2°60.0°
NC6C11C1756.7°132.5°
NC6C11C13118.2°47.5°
C6C11C17C13174.9°179.9°
C6C11C17C16173.0°179.5°
C6C11C13C14173.5°180.0°
C6C11C13H126.5°0.2°
C6C11C17H147.0°0.1°
C11C6NH33.7°0.0°
C11C17C16H14180.0°179.4°
C11C17C16C150.8°0.8°
C17C11C13C141.4°0.0°
C17C11C13H12178.6°179.7°
C11C17C16H13179.2°180.0°
C16C17C11C131.9°0.6°
C17C16C15H13180.0°179.2°
C17C16C15C140.8°0.6°
C17C16C15O1177.7°179.5°
C11C13C14H12180.0°179.7°
C11C13C14C150.1°0.3°
C11C13C14O179.6°179.8°
C13C11C17H14178.1°180.0°
C16C15C14C131.2°0.0°
C16C15C14O1178.6°179.9°
C16C15O1C231.0°0.0°
C16C15C14O178.5°179.9°
C15C16C17H14179.2°179.7°
C13C14C15O179.7°179.9°
C13C14C15O1177.4°180.0°
C13C14OC187.2°0.0°
C14C15O1C23177.5°180.0°
C15C14OC18173.0°180.0°
C15C14C13H12179.9°180.0°
C14C15C16H13179.2°179.7°
O1C15C14O2.9°0.0°
C15O1C23H27180.0°180.0°
C15O1C23H2860.0°60.0°
C15O1C23H2960.0°59.9°
O1C15C16H132.3°0.3°
O1C23H27H28120.0°119.9°
O1C23H27H29120.0°120.1°
O1C23H28H29120.0°120.0°
OC14C13H120.4°0.1°
C14OC18H15180.0°60.0°
C14OC18H1760.0°59.9°
C14OC18H1660.0°180.0°
OC18H15H17120.0°119.9°
OC18H15H16120.0°120.1°
OC18H17H16120.0°120.1°
H22N1C20H20178.0°177.7°
H22N1C20H2158.4°57.6°
H22N1C21H2357.8°57.7°
H22N1C21H24177.4°177.6°
H4C8C10H864.5°174.3°
H4C8C10H1055.5°54.3°
H4C8C10H9175.5°65.7°
H4C8C9H762.7°60.0°
H4C8C9H657.4°60.0°
H4C8C9H5177.3°180.0°
H8C10H10H9120.0°120.0°
H14C17C16H130.8°0.5°
H20C20C19H1858.2°59.2°
H20C20C19H19178.3°179.3°
H21C20C19H1861.4°60.8°
H21C20C19H1958.7°59.2°
H23C21C22H2557.8°59.2°
H23C21C22H2662.2°60.8°
H24C21C22H25177.4°179.2°
H24C21C22H2657.5°59.2°
H25C22C12H11174.9°177.7°
H26C22C12H1165.2°57.5°
H27C23H28H29120.0°120.0°
H15C18H17H16120.0°120.0°
H1C2C1H1.1°0.0°
H7C9H6H5120.0°120.1°
H11C12C19H1865.4°57.6°
H11C12C19H19174.5°177.8°

222624

PDB entries from 2024-07-17

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