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3G7

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3C22sing1.36Å1.36Å
OC1doub1.21Å1.23Å
O1C12doub1.21Å1.23Å
C7C6doub1.37Å1.38ÅAromatic
C7C2sing1.40Å1.39ÅAromatic
C11C10sing1.53Å1.50Å
C11Nsing1.47Å1.47Å
C6C5sing1.39Å1.40ÅAromatic
C21C22doub1.39Å1.39ÅAromatic
C21C20sing1.38Å1.39ÅAromatic
C10N1sing1.47Å1.46Å
C22C23sing1.39Å1.39ÅAromatic
C20C19doub1.39Å1.39ÅAromatic
C23CLsing1.74Å1.73Å
C23C24doub1.38Å1.38ÅAromatic
C1C2sing1.47Å1.49Å
C1Csing1.51Å1.49Å
C12N1sing1.35Å1.35Å
C12C13sing1.51Å1.52Å
C2C3doub1.40Å1.40ÅAromatic
C19C24sing1.39Å1.39ÅAromatic
C19N3sing1.40Å1.42Å
N1C9sing1.47Å1.46Å
C5Nsing1.39Å1.44Å
C5C4doub1.39Å1.40ÅAromatic
NC8sing1.47Å1.47Å
C14C15sing1.55Å1.52Å
C14N2sing1.48Å1.49Å
N3C18sing1.35Å1.35Å
C15C16sing1.55Å1.55Å
O2C18doub1.21Å1.23Å
N2C13sing1.47Å1.50Å
N2C17sing1.48Å1.51Å
C18C16sing1.51Å1.51Å
C3C4sing1.37Å1.39ÅAromatic
C9C8sing1.53Å1.51Å
C16C17sing1.54Å1.54Å
N3H1sing0.97Å1.00Å
C4H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C10H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C16H7sing1.09Å1.10Å
C17H8sing1.09Å1.10Å
C17H9sing1.09Å1.10Å
C20H10sing1.08Å1.08Å
C21H11sing1.08Å1.08Å
O3H12sing0.97Å0.95Å
C24H13sing1.08Å1.08Å
C15H14sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C13H19sing1.09Å1.10Å
C13H20sing1.09Å1.10Å
C9H21sing1.09Å1.10Å
C9H22sing1.09Å1.10Å
C8H23sing1.09Å1.10Å
C8H24sing1.09Å1.10Å
C11H25sing1.09Å1.10Å
C11H26sing1.09Å1.10Å
C3H27sing1.08Å1.08Å
CH28sing1.09Å1.10Å
CH29sing1.09Å1.10Å
CH30sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3C22C21122.8°120.0°
O3C22C23118.6°120.0°
C22O3H12109.5°114.0°
OC1C2120.4°120.0°
OC1C120.1°120.0°
O1C12N1122.1°120.0°
O1C12C13121.3°120.0°
C6C7C2120.8°119.9°
C7C6C5121.1°120.1°
C7C6H3119.4°120.0°
C6C7H4119.6°120.0°
C7C2C1120.4°120.1°
C7C2C3118.4°119.8°
C2C7H4119.6°120.1°
C10C11N112.4°109.3°
C11C10N1108.8°108.5°
C11C10H5109.6°109.6°
C11C10H6109.6°109.8°
C10C11H25108.7°109.5°
C10C11H26108.7°109.5°
C11NC5113.1°111.0°
C11NC8114.6°111.2°
NC11H25108.7°109.5°
NC11H26108.7°109.5°
C6C5N120.7°119.9°
C6C5C4117.7°120.2°
C5C6H3119.5°120.0°
C22C21C20120.5°120.0°
C21C22C23118.6°120.0°
C22C21H11119.7°120.0°
C21C20C19120.3°120.0°
C21C20H10119.9°120.0°
C20C21H11119.8°120.0°
C10N1C12122.9°120.9°
C10N1C9107.1°118.2°
N1C10H5109.7°109.6°
N1C10H6109.6°109.6°
C22C23CL119.3°120.0°
C22C23C24121.5°120.0°
C20C19C24119.6°119.9°
C20C19N3124.2°120.0°
C19C20H10119.9°120.0°
CLC23C24119.2°120.0°
C23C24C19119.6°120.0°
C23C24H13120.2°120.0°
C2C1C119.5°120.0°
C1C2C3121.2°120.1°
C1CH28109.5°109.5°
C1CH29109.5°109.5°
C1CH30109.5°109.5°
N1C12C13116.5°120.0°
C12N1C9128.2°120.9°
C12C13N2109.5°109.4°
C12C13H19109.5°109.4°
C12C13H20109.5°109.5°
C2C3C4121.0°119.9°
C2C3H27119.5°120.0°
C24C19N3116.2°120.0°
C19C24H13120.2°120.0°
C19N3C18129.1°120.0°
C19N3H1115.4°120.0°
N1C9C8108.7°108.5°
N1C9H21109.7°109.6°
N1C9H22109.6°109.7°
NC5C4121.6°119.9°
C5NC8118.4°111.0°
C5C4C3120.7°120.1°
C5C4H2119.7°120.0°
NC8C9111.4°109.3°
NC8H23109.0°109.5°
NC8H24109.0°109.5°
C15C14N2102.9°103.3°
C14C15C16108.3°102.9°
C14C15H14109.8°110.7°
C14C15H15109.8°110.9°
C15C14H16111.1°110.7°
C15C14H17111.1°110.6°
C14N2C13117.8°111.0°
C14N2C17102.0°105.8°
N2C14H16111.1°110.7°
N2C14H17111.1°110.7°
N3C18O2124.0°120.0°
N3C18C16114.2°120.0°
C18N3H1115.5°120.0°
C15C16C18109.4°110.3°
C15C16C17101.2°105.2°
C15C16H7110.4°110.3°
C16C15H14109.8°110.8°
C16C15H15109.8°110.7°
O2C18C16121.8°120.0°
C13N2C17108.5°111.0°
N2C13H19109.4°109.5°
N2C13H20109.5°109.5°
N2C17C16105.8°107.1°
N2C17H8110.4°109.9°
N2C17H9110.4°110.1°
C18C16C17113.6°110.3°
C18C16H7111.1°110.3°
C3C4H2119.6°119.9°
C4C3H27119.5°120.1°
C8C9H21109.7°109.6°
C8C9H22109.7°109.6°
C9C8H23109.0°109.5°
C9C8H24109.0°109.5°
C17C16H7110.7°110.3°
C16C17H8110.4°109.9°
C16C17H9110.4°109.9°
H5C10H6109.5°109.6°
H8C17H9109.5°109.9°
H14C15H15109.5°110.6°
H16C14H17109.5°110.7°
H19C13H20109.4°109.5°
H21C9H22109.5°109.8°
H23C8H24109.5°109.5°
H25C11H26109.5°109.6°
H28CH29109.5°109.5°
H28CH30109.5°109.5°
H29CH30109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3C22C21C23179.0°180.0°
O3C22C21C20178.0°180.0°
O3C22C23CL3.3°0.2°
O3C22C23C24178.7°179.7°
O3C22C21H112.0°0.0°
OC1C2C72.9°179.7°
OC1C2C178.4°180.0°
OC1C2C3175.6°0.0°
OC1CH280.0°120.0°
OC1CH29120.0°0.0°
OC1CH30120.0°120.0°
O1C12N1C104.5°179.7°
O1C12N1C13177.2°180.0°
O1C12N1C9166.7°0.1°
O1C12C13N27.1°0.0°
O1C12C13H19112.9°120.0°
O1C12C13H20127.1°120.0°
C6C7C2H4180.0°179.9°
C7C6C5H3180.0°180.0°
C6C7C2C1176.9°179.7°
C6C7C2C31.6°0.1°
C7C6C5N172.2°180.0°
C7C6C5C44.6°0.0°
C2C7C6C52.4°0.1°
C7C2C1C3178.5°179.7°
C7C2C1C178.7°0.3°
C7C2C3C43.3°0.0°
C2C7C6H3177.6°180.0°
C7C2C3H27176.7°179.9°
C10C11NH25120.4°119.9°
C10C11NH26120.5°120.0°
C11C10N1H5119.9°119.7°
C11C10N1H6119.9°119.9°
C11C10N1C1298.1°129.1°
C11C10N1C967.3°51.2°
C10C11NC5176.1°172.7°
C10C11NC844.2°63.1°
C11C10H5H6120.3°120.6°
C10C11H25H26118.7°120.1°
C11NC5C626.2°0.0°
NC11C10N155.0°53.8°
C11NC5C8138.1°124.3°
C11NC5C4150.5°180.0°
C11NC8C944.5°63.2°
NC11C10H5174.9°65.9°
NC11C10H664.9°173.6°
C11NC8H23164.8°56.8°
C11NC8H2475.8°176.9°
NC11H25H26118.7°120.1°
C6C5NC4176.7°179.9°
C6C5NC8164.2°124.3°
C6C5C4C33.0°0.1°
C6C5C4H2177.1°179.9°
C5C6C7H4177.6°179.9°
C22C21C20H11180.0°180.0°
C22C21C20C190.8°0.0°
C21C22C23CL177.6°179.8°
C21C22C23C240.4°0.3°
C22C21C20H10179.2°179.8°
C21C22O3H12180.0°90.0°
C20C21C22C231.1°0.0°
C21C20C19H10180.0°179.8°
C21C20C19C240.2°0.2°
C21C20C19N3178.6°179.8°
C10N1C12C9162.2°179.6°
C10N1C12C13172.7°0.3°
C10N1C9C868.1°51.3°
N1C10H5H6120.3°120.4°
C10N1C9H21172.0°170.9°
C10N1C9H2251.7°68.5°
N1C10C11H25175.5°173.7°
N1C10C11H2665.4°66.1°
C22C23CLC24178.1°179.5°
C22C23C24C190.5°0.5°
C23C22C21H11179.0°180.0°
C23C22O3H120.9°90.0°
C22C23C24H13179.5°179.5°
C20C19C24C230.8°0.5°
C20C19C24N3178.9°180.0°
C20C19N3C1812.5°35.1°
C20C19N3H1167.5°144.9°
C19C20C21H11179.2°180.0°
C20C19C24H13179.3°179.5°
CLC23C24C19178.6°180.0°
CLC23C24H131.5°0.0°
C23C24C19H13180.0°180.0°
C23C24C19N3178.1°179.5°
C1C2C3C4175.3°179.7°
C1C2C7H43.1°0.4°
C1C2C3H274.7°0.3°
C2C1CH28178.4°60.0°
C2C1CH2958.4°180.0°
C2C1CH3061.6°60.0°
CC1C2C32.8°180.0°
C1CH28H29120.0°120.0°
C1CH28H30120.0°120.0°
C1CH29H30120.0°120.1°
N1C12C13N2170.1°180.0°
C12N1C9C896.3°129.1°
C12N1C10H521.8°111.2°
C12N1C10H6142.0°9.2°
N1C12C13H1969.9°60.0°
N1C12C13H2050.1°60.0°
C12N1C9H2123.6°9.4°
C12N1C9H22143.9°111.2°
C13C12N1C910.5°180.0°
C12C13N2C1479.4°69.9°
C12C13N2H19120.0°120.0°
C12C13N2H20120.0°120.0°
C12C13N2C17165.4°172.7°
C12C13H19H20120.0°120.0°
C2C3C4C50.9°0.0°
C2C3C4H27180.0°179.9°
C2C3C4H2179.0°179.9°
C3C2C7H4178.4°180.0°
C24C19N3C18166.3°144.9°
C24C19N3H113.7°35.1°
C24C19C20H10179.8°180.0°
C19N3C18H1180.0°180.0°
C19N3C18O23.8°4.7°
C19N3C18C16176.0°175.4°
N3C19C20H101.4°0.1°
N3C19C24H131.9°0.5°
N1C9C8N56.2°53.9°
N1C9C8H21119.9°119.7°
N1C9C8H22119.9°119.8°
C9N1C10H5172.8°68.5°
C9N1C10H652.6°171.1°
N1C9H21H22120.3°120.5°
N1C9C8H23176.5°66.1°
N1C9C8H2464.0°173.8°
NC5C4C3173.8°180.0°
C5NC8C9178.0°172.7°
NC5C4H26.2°0.1°
NC5C6H37.9°0.0°
C5NC8H2357.7°67.3°
C5NC8H2461.7°52.8°
C5NC11H2555.7°52.8°
C5NC11H2663.5°67.3°
C4C5NC812.4°55.8°
C5C4C3H2180.0°179.9°
C4C5C6H3175.4°180.0°
C5C4C3H27179.1°180.0°
NC8C9H23120.3°120.0°
NC8C9H24120.3°119.9°
NC8C9H21176.1°173.6°
NC8C9H2263.6°65.9°
NC8H23H24119.1°120.1°
C8NC11H25164.6°177.0°
C8NC11H2676.3°56.8°
C15C14N2H16118.9°118.5°
C15C14N2H17118.9°118.4°
C14C15C16H14119.8°118.3°
C14C15C16H15119.8°118.5°
C15C14N2C13160.9°159.7°
C15C14N2C1742.3°39.2°
C14C15C16C18120.7°140.9°
C14C15C16C170.5°22.0°
C14C15C16H7116.7°97.0°
C14C15H14H15120.5°123.3°
C15C14H16H17123.1°123.0°
N2C14C15C1626.8°37.4°
C14N2C13C17115.2°117.4°
C14N2C17C1643.5°25.3°
C14N2C17H8162.9°94.0°
C14N2C17H975.9°144.8°
N2C14C15H14146.6°81.0°
N2C14C15H1593.0°155.8°
N2C14H16H17123.0°123.1°
C14N2C13H19160.6°50.1°
C14N2C13H2040.6°170.1°
N3C18C16C1568.6°64.2°
N3C18O2C16179.8°179.9°
N3C18C16C17179.2°180.0°
N3C18C16H753.6°57.9°
C15C16C18O2111.6°115.8°
C15C16C17N225.8°1.2°
C15C16C18C17112.2°115.8°
C15C16C18H7122.2°122.1°
C15C16C17H7117.1°118.9°
C15C16C17H8145.3°118.2°
C15C16C17H993.6°120.8°
C16C15H14H15120.6°123.2°
C16C15C14H16145.7°155.9°
C16C15C14H1792.1°81.1°
O2C18C16C170.6°0.1°
O2C18N3H1176.2°175.3°
O2C18C16H7126.2°122.1°
C13N2C17C16168.6°145.9°
C13N2C17H872.0°26.5°
C13N2C17H949.2°94.7°
C13N2C14H1680.1°81.8°
C13N2C14H1742.0°41.3°
N2C13H19H20120.0°120.1°
N2C17C16C1891.3°117.8°
N2C17C16H8119.4°119.4°
N2C17C16H9119.4°119.6°
N2C17C16H7142.9°120.1°
N2C17H8H9121.7°121.3°
C17N2C14H16161.2°157.7°
C17N2C14H1776.7°79.3°
C17N2C13H1945.4°67.3°
C17N2C13H2074.6°52.7°
C18C16C17H7125.9°122.1°
C16C18N3H14.0°4.6°
C18C16C17H828.2°122.9°
C18C16C17H9149.3°1.8°
C18C16C15H14119.5°22.6°
C18C16C15H150.9°100.6°
C8C9H21H22120.4°120.5°
C9C8H23H24119.1°120.1°
C16C17H8H9121.7°121.1°
C17C16C15H14120.4°96.4°
C17C16C15H15119.2°140.5°
H2C4C3H271.0°0.1°
H3C6C7H42.4°0.1°
H5C10C11H2564.6°54.0°
H5C10C11H2654.5°174.2°
H6C10C11H2555.6°66.5°
H6C10C11H26174.7°53.7°
H7C16C17H897.7°0.8°
H7C16C17H923.5°120.3°
H7C16C15H143.1°144.7°
H7C16C15H15123.5°21.5°
H10C20C21H110.8°0.2°
H14C15C14H1694.5°37.5°
H14C15C14H1727.7°160.6°
H15C15C14H1625.9°85.7°
H15C15C14H17148.1°37.4°
H21C9C8H2363.6°53.6°
H21C9C8H2455.8°66.5°
H22C9C8H2356.7°174.1°
H22C9C8H24176.1°54.0°
H28CH29H30120.0°120.0°

227344

PDB entries from 2024-11-13

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