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D2C

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.47Å1.49Å
C1H11Asing1.09Å1.10Å
C1H12Asing1.09Å1.10Å
C1H13sing1.09Å1.10Å
N1C2sing1.47Å1.50Å
N1C3sing1.47Å1.44Å
C2H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
C2H23sing1.09Å1.10Å
C3C4sing1.51Å1.54Å
C3C5sing1.53Å1.56Å
C3H3sing1.09Å1.10Å
C4O1doub1.21Å1.24Å
C4C20sing1.52Å1.38Å
C5C6sing1.52Å1.49Å
C5C18sing1.53Å1.44Å
C5H5sing1.09Å1.10Å
C6C7sing1.53Å1.56Å
C6H61sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C7C8sing1.53Å1.55Å
C7C16sing1.53Å1.54Å
C7H7sing1.09Å1.10Å
C8O2sing1.43Å1.48Å
C8C9sing1.50Å1.54Å
C8H8sing1.09Å1.10Å
O2HO2sing0.97Å0.95Å
C9C10doub1.39Å1.40ÅAromatic
C9C14sing1.37Å1.41ÅAromatic
C10CL1sing1.74Å1.78Å
C10C11sing1.38Å1.41ÅAromatic
C11C12doub1.38Å1.39ÅAromatic
C11H11sing1.08Å1.08Å
C12C13sing1.38Å1.40ÅAromatic
C12H12sing1.08Å1.08Å
C13O3sing1.36Å1.38Å
C13C14doub1.39Å1.42ÅAromatic
O3HO3sing0.97Å0.95Å
C14C15sing1.50Å1.43Å
C15O4sing1.43Å1.38Å
C15C16sing1.53Å1.40Å
C15H15sing1.09Å1.10Å
O4HO4sing0.97Å0.95Å
C16C17sing1.53Å1.37Å
C16H16sing1.09Å1.10Å
C17O5sing1.43Å1.36Å
C17C18sing1.52Å1.52Å
C17H17sing1.09Å1.10Å
O5HO5sing0.97Å0.95Å
C18C19sing1.51Å1.49Å
C18H18sing1.09Å1.10Å
C19O6doub1.21Å1.23Å
C19C20sing1.51Å1.45Å
C20C21sing1.51Å1.62Å
C20H20sing1.09Å1.10Å
C21O7doub1.21Å1.25Å
C21N2sing1.35Å1.37Å
N2HN21sing0.97Å1.00Å
N2HN22sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C1H11A109.5°109.5°
N1C1H12A109.5°109.5°
N1C1H13109.4°109.4°
C1N1C2113.9°106.7°
C1N1C3109.3°106.7°
H11AC1H12A109.5°109.5°
H11AC1H13109.4°109.5°
H12AC1H13109.5°109.5°
C2N1C3108.0°106.7°
N1C2H21109.5°109.5°
N1C2H22109.5°109.5°
N1C2H23109.4°109.5°
N1C3C4112.8°109.5°
N1C3C5111.7°109.4°
N1C3H3108.1°109.4°
H21C2H22109.4°109.4°
H21C2H23109.4°109.5°
H22C2H23109.5°109.5°
C4C3C5115.9°109.7°
C4C3H3103.0°109.4°
C3C4O1119.7°121.1°
C3C4C20121.9°117.6°
C5C3H3104.3°109.4°
C3C5C6117.1°108.5°
C3C5C18112.9°110.5°
C3C5H5101.0°109.4°
O1C4C20118.1°121.2°
C4C20C19119.3°106.9°
C4C20C21115.0°110.0°
C4C20H20155.4°110.1°
C6C5C18108.8°110.0°
C6C5H5105.8°109.4°
C5C6C7105.8°112.7°
C5C6H61110.7°108.8°
C5C6H62111.5°108.8°
C18C5H5110.7°109.0°
C5C18C17113.6°110.0°
C5C18C19116.8°109.8°
C5C18H18105.8°109.5°
C7C6H61110.7°108.8°
C7C6H62111.5°108.8°
C6C7C8112.8°106.1°
C6C7C16112.0°111.2°
C6C7H7104.2°109.9°
H61C6H62106.7°108.8°
C8C7C16105.7°109.2°
C8C7H7110.7°109.9°
C7C8O2111.6°108.9°
C7C8C9106.0°112.5°
C7C8H8110.6°108.9°
C16C7H7111.6°110.4°
C7C16C15118.9°109.3°
C7C16C17121.7°111.2°
C7C16H1683.4°109.8°
O2C8C9110.2°108.8°
O2C8H8106.5°108.9°
C8O2HO2109.5°106.8°
C9C8H8112.0°108.8°
C8C9C10120.4°118.0°
C8C9C14118.8°122.3°
C10C9C14120.8°119.7°
C9C10CL1120.4°119.7°
C9C10C11119.2°120.6°
C9C14C13119.3°119.7°
C9C14C15118.1°122.2°
CL1C10C11120.4°119.7°
C10C11C12120.5°119.8°
C10C11H11119.8°120.1°
C12C11H11119.7°120.1°
C11C12C13120.8°119.7°
C11C12H12119.6°120.1°
C13C12H12119.6°120.2°
C12C13O3119.2°119.8°
C12C13C14119.4°120.4°
O3C13C14121.3°119.8°
C13O3HO3109.5°106.8°
C13C14C15122.6°118.0°
C14C15O4122.5°108.9°
C14C15C16119.2°112.3°
C14C15H1554.7°108.9°
O4C15C16118.3°108.9°
O4C15H1574.0°108.9°
C15O4HO4109.5°106.8°
C16C15H15153.7°108.9°
C15C16C17119.2°106.2°
C15C16H16111.1°109.8°
C17C16H1680.6°110.6°
C16C17O5119.4°108.8°
C16C17C18118.5°112.7°
C16C17H17104.6°108.8°
O5C17C18121.6°108.8°
O5C17H1783.1°108.8°
C17O5HO5109.5°106.8°
C18C17H1789.4°108.7°
C17C18C19119.8°108.2°
C17C18H18100.7°109.5°
C19C18H1895.4°109.7°
C18C19O6115.7°120.6°
C18C19C20119.7°118.9°
O6C19C20123.5°120.5°
C19C20C21125.7°109.9°
C19C20H2041.2°109.9°
C21C20H2086.6°109.9°
C20C21O7121.5°120.0°
C20C21N2115.6°120.0°
O7C21N2122.9°120.0°
C21N2HN21108.6°120.0°
C21N2HN22125.7°120.0°
HN21N2HN22125.7°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1H11AH12A120.0°120.0°
N1C1H11AH13120.0°120.0°
N1C1H12AH13120.0°120.0°
C1N1C2C3121.7°113.7°
C1N1C2H21172.1°48.7°
C1N1C2H2252.1°168.7°
C1N1C2H2367.9°71.3°
C1N1C3C4102.5°60.4°
C1N1C3C530.1°179.4°
C1N1C3H3144.3°59.5°
H11AC1H12AH13120.0°120.0°
H11AC1N1C218.4°180.0°
H11AC1N1C3102.5°66.2°
H12AC1N1C2101.6°59.9°
H12AC1N1C3137.5°53.8°
H13C1N1C2138.4°60.0°
H13C1N1C317.5°173.8°
N1C2H21H22120.0°120.0°
N1C2H21H23120.0°120.0°
N1C2H22H23120.0°120.0°
C2N1C3C4133.1°53.4°
C2N1C3C594.3°66.8°
C2N1C3H319.9°173.3°
C3N1C2H2166.2°65.0°
C3N1C2H22173.8°54.9°
C3N1C2H2353.8°174.9°
N1C3C4C5130.5°120.1°
N1C3C4H3116.3°119.9°
N1C3C5H3116.5°119.9°
N1C3C4O162.1°4.4°
N1C3C4C20123.7°175.5°
N1C3C5C6131.4°62.8°
N1C3C5C18101.1°176.5°
N1C3C5H517.1°56.5°
H21C2H22H23120.0°120.0°
C4C3C5H3112.4°120.0°
C3C4O1C20174.4°180.0°
C4C3C5C697.6°177.1°
C4C3C5C1830.0°56.4°
C4C3C5H5148.2°63.6°
C3C4C20C193.3°48.0°
C3C4C20C21175.3°167.4°
C3C4C20H2035.4°71.4°
C5C3C4O1167.4°124.5°
C5C3C4C206.8°55.4°
C3C5C6C18129.5°121.0°
C3C5C6H5111.5°119.3°
C3C5C18H5112.4°120.2°
C3C5C6C7158.7°154.7°
C3C5C6H6181.3°33.9°
C3C5C6H6237.3°84.5°
C3C5C18C17170.6°173.8°
C3C5C18C1943.6°54.7°
C3C5C18H1861.1°65.8°
H3C3C4O154.2°115.5°
H3C3C4C20120.0°64.6°
H3C3C5C614.8°57.1°
H3C3C5C18142.4°63.6°
H3C3C5H599.4°176.4°
O1C4C20C19177.6°131.9°
O1C4C20C211.0°12.6°
O1C4C20H20150.3°108.7°
C4C20C19C1810.0°46.8°
C4C20C19O6177.6°133.2°
C4C20C19C21178.5°119.4°
C4C20C19H20160.4°119.5°
C4C20C21H20167.7°121.3°
C4C20C21O7179.5°117.5°
C4C20C21N20.1°62.5°
C6C5C18H5115.8°120.0°
C5C6C7H61120.0°120.8°
C5C6C7H62121.4°120.8°
C5C6H61H62121.5°118.4°
C5C6C7C8165.0°146.6°
C5C6C7C1645.9°27.9°
C5C6C7H774.9°94.6°
C6C5C18C1757.6°66.4°
C6C5C18C1988.2°174.5°
C6C5C18H18167.1°54.1°
C18C5C6C771.8°33.7°
C18C5C6H6148.2°87.1°
C18C5C6H62166.7°154.5°
C5C18C17C1616.6°32.6°
C5C18C17O5155.5°88.3°
C5C18C17C19144.7°120.0°
C5C18C17H18112.6°120.4°
C5C18C17H17122.9°153.4°
C5C18C19H18110.7°120.4°
C5C18C19O6156.1°127.3°
C5C18C19C2035.3°52.7°
H5C5C6C747.1°86.1°
H5C5C6H61167.1°153.1°
H5C5C6H6274.3°34.8°
H5C5C18C1758.2°53.6°
H5C5C18C19155.9°65.5°
H5C5C18H1851.3°174.0°
C7C6H61H62121.5°118.4°
C6C7C8C16122.7°119.9°
C6C7C8H7116.3°118.8°
C6C7C16H7116.4°122.3°
C6C7C8O264.4°47.4°
C6C7C8C9175.7°168.1°
C6C7C8H854.0°71.2°
C6C7C16C15166.7°178.4°
C6C7C16C178.1°61.5°
C6C7C16H1682.8°61.1°
H61C6C7C845.0°92.6°
H61C6C7C1674.1°148.7°
H61C6C7H7165.1°26.2°
H62C6C7C873.6°25.7°
H62C6C7C16167.3°92.9°
H62C6C7H746.5°144.6°
C8C7C16H7120.4°121.0°
C7C8O2C9117.5°123.0°
C7C8O2H8120.8°118.6°
C7C8C9H8120.7°120.7°
C7C8O2HO2119.8°180.0°
C7C8C9C10135.0°162.7°
C7C8C9C1443.2°17.5°
C8C7C16C1543.4°64.8°
C8C7C16C17131.4°178.3°
C8C7C16H16154.0°55.6°
C16C7C8O258.4°72.5°
C16C7C8C961.6°48.2°
C16C7C8H8176.8°168.9°
C7C16C15C141.1°49.0°
C7C16C15O4177.7°169.7°
C7C16C15C17175.0°120.0°
C7C16C15H1694.2°120.4°
C7C16C15H1569.7°71.7°
C7C16C17H1676.1°122.2°
C7C16C17O5179.8°149.9°
C7C16C17C187.9°29.0°
C7C16C17H1789.5°91.7°
H7C7C8O2179.3°166.2°
H7C7C8C959.3°73.0°
H7C7C8H862.3°47.7°
H7C7C16C1576.9°56.1°
H7C7C16C17108.2°60.7°
H7C7C16H1633.6°176.6°
O2C8C9H8118.4°118.5°
O2C8C9C10104.1°76.5°
O2C8C9C1477.7°103.3°
C9C8O2HO22.3°57.1°
C8C9C10C14178.2°179.8°
C8C9C10CL11.1°0.8°
C8C9C10C11179.3°179.2°
C8C9C14C13179.4°178.8°
C8C9C14C151.2°2.1°
H8C8O2HO2119.4°61.4°
H8C8C9C1014.3°42.0°
H8C8C9C14163.9°138.2°
C9C10CL1C11179.6°180.0°
C9C10C11C120.4°0.1°
C9C10C11H11179.6°179.9°
C10C9C14C131.2°1.0°
C10C9C14C15179.4°178.0°
C14C9C10CL1179.3°179.4°
C14C9C10C111.1°0.6°
C9C14C13C120.6°0.8°
C9C14C13O3179.3°179.2°
C9C14C13C15179.3°179.1°
C9C14C15O4153.3°138.9°
C9C14C15C1625.5°18.2°
C9C14C15H15175.1°102.4°
CL1C10C11C12179.9°179.9°
CL1C10C11H110.0°0.1°
C10C11C12H11180.0°180.0°
C10C11C12C130.3°0.3°
C10C11C12H12179.7°179.6°
C11C12C13H12180.0°179.9°
C11C12C13O3179.9°179.9°
C11C12C13C140.2°0.1°
H11C11C12C13179.8°179.6°
H11C11C12H120.3°0.4°
C12C13O3C14179.9°180.0°
C12C13O3HO322.2°95.0°
C12C13C14C15179.9°178.3°
H12C12C13O30.1°0.0°
H12C12C13C14179.8°180.0°
O3C13C14C150.0°1.7°
C14C13O3HO3157.9°85.0°
C13C14C15O426.1°42.0°
C13C14C15C16155.2°162.7°
C13C14C15H155.5°76.6°
C14C15O4C16178.8°122.8°
C14C15O4H1526.4°118.7°
C14C15C16H1568.6°120.7°
C14C15O4HO435.0°55.0°
C14C15C16C17176.1°169.0°
C14C15C16H1693.1°71.4°
O4C15C16H15112.5°118.6°
O4C15C16C172.8°70.3°
O4C15C16H1688.1°49.3°
C16C15O4HO4146.2°67.8°
C15C16C17H16109.0°119.0°
C15C16C17O54.9°91.4°
C15C16C17C18177.2°147.8°
C15C16C17H1785.3°27.1°
H15C15O4HO48.6°173.7°
H15C15C16C17115.3°48.3°
H15C15C16H1624.5°167.9°
C16C17O5C18172.0°123.2°
C16C17O5H17102.9°118.5°
C16C17C18H17106.4°120.8°
C16C17O5HO529.4°65.0°
C16C17C18C19128.2°152.6°
C16C17C18H18129.1°87.9°
H16C16C17O5104.1°27.7°
H16C16C17C1868.2°93.2°
H16C16C17H17165.7°146.1°
O5C17C18H1781.5°118.4°
O5C17C18C1959.7°31.8°
O5C17C18H1843.0°151.3°
C18C17O5HO5142.7°58.2°
C17C18C19H18105.7°119.5°
C17C18C19O612.5°7.2°
C17C18C19C20178.9°172.8°
H17C17O5HO5132.2°176.5°
H17C17C18C1921.8°86.6°
H17C17C18H18124.5°32.9°
C18C19O6C20168.1°180.0°
C18C19C20C21171.5°166.2°
C18C19C20H20150.4°72.7°
H18C18C19O693.2°112.3°
H18C18C19C2075.4°67.7°
O6C19C20C213.9°13.8°
O6C19C20H2017.2°107.3°
C19C20C21H2013.8°121.2°
C19C20C21O71.0°0.0°
C19C20C21N2178.4°180.0°
C20C21O7N2179.4°179.9°
C20C21N2HN210.3°0.1°
C20C21N2HN22179.7°180.0°
H20C20C21O712.8°121.1°
H20C20C21N2167.8°58.8°
O7C21N2HN21179.7°180.0°
O7C21N2HN220.3°0.1°
C21N2HN21HN22180.0°179.9°

222415

PDB entries from 2024-07-10

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