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84K

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2C23doub1.21Å1.19Å
C1C2sing1.53Å1.55Å
C2C3sing1.51Å1.53Å
C24O3sing1.45Å1.40Å
O1C3doub1.21Å1.19Å
C3N1sing1.35Å1.50Å
C23O3sing1.34Å1.40Å
C23C10sing1.51Å1.50Å
C5C6doub1.38Å1.38ÅAromatic
C5C4sing1.39Å1.39ÅAromatic
C6C7sing1.38Å1.39ÅAromatic
N1C4sing1.40Å1.47Å
N1C10sing1.47Å1.48Å
C4C9doub1.39Å1.38ÅAromatic
C10C11sing1.53Å1.56Å
C10C14sing1.53Å1.52Å
C7C8doub1.38Å1.38ÅAromatic
C11C12sing1.53Å1.59Å
C9C8sing1.38Å1.39ÅAromatic
C14C13sing1.53Å1.52Å
C12N2sing1.47Å1.32Å
C13N2sing1.47Å1.30Å
N2C15sing1.47Å1.38Å
C15C16sing1.53Å1.54Å
C16C17sing1.51Å1.56Å
C18C17doub1.38Å1.38ÅAromatic
C18C19sing1.38Å1.39ÅAromatic
C17C22sing1.38Å1.39ÅAromatic
C19C20doub1.38Å1.37ÅAromatic
C22C21doub1.38Å1.38ÅAromatic
C20C21sing1.38Å1.39ÅAromatic
C5H6sing1.08Å1.08Å
C6H7sing1.08Å1.08Å
C7H8sing1.08Å1.08Å
C8H9sing1.08Å1.08Å
C13H16sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
C20H25sing1.08Å1.08Å
C21H26sing1.08Å1.08Å
C22H27sing1.08Å1.08Å
C24H28sing1.09Å1.10Å
C24H30sing1.09Å1.10Å
C24H29sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C14H18sing1.09Å1.10Å
C16H21sing1.09Å1.10Å
C16H22sing1.09Å1.10Å
C18H23sing1.08Å1.08Å
C19H24sing1.08Å1.08Å
C2H5sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C9H10sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2C23O3121.8°120.0°
O2C23C10117.6°120.0°
C1C2C3111.1°109.5°
C2C1H3109.5°109.4°
C2C1H1109.4°109.5°
C2C1H2109.4°109.5°
C1C2H5109.0°109.4°
C1C2H4109.1°109.5°
C2C3O1118.1°120.0°
C2C3N1120.1°120.0°
C3C2H5109.1°109.5°
C3C2H4109.1°109.5°
C24O3C23114.0°117.0°
O3C24H28109.5°109.4°
O3C24H30109.5°109.5°
O3C24H29109.5°109.5°
O1C3N1121.8°120.0°
C3N1C4119.4°120.0°
C3N1C10120.4°120.0°
O3C23C10120.6°120.0°
C23C10N1104.8°109.5°
C23C10C11106.1°109.5°
C23C10C14112.7°109.6°
C6C5C4120.4°119.9°
C5C6C7120.0°120.1°
C6C5H6119.8°120.1°
C5C6H7120.0°119.9°
C5C4N1120.5°120.0°
C5C4C9119.7°119.8°
C4C5H6119.8°120.0°
C6C7C8119.8°120.2°
C7C6H7120.0°120.0°
C6C7H8120.1°119.9°
C4N1C10120.3°120.0°
N1C4C9119.9°120.1°
N1C10C11116.4°109.5°
N1C10C14110.6°109.5°
C4C9C8120.0°119.9°
C4C9H10120.0°120.0°
C11C10C14106.3°109.2°
C10C11C12109.9°109.2°
C10C11H12109.4°109.5°
C10C11H11109.4°109.5°
C10C14C13116.5°109.3°
C10C14H17107.7°109.5°
C10C14H18107.7°109.5°
C7C8C9120.1°120.1°
C8C7H8120.1°120.0°
C7C8H9119.9°120.0°
C11C12N2117.0°109.5°
C12C11H12109.4°109.5°
C12C11H11109.4°109.5°
C11C12H13107.6°109.4°
C11C12H14107.5°109.5°
C9C8H9119.9°119.9°
C8C9H10120.0°120.1°
C14C13N2117.4°109.5°
C14C13H16107.4°109.5°
C14C13H15107.4°109.5°
C13C14H17107.7°109.4°
C13C14H18107.7°109.5°
C12N2C13112.2°111.2°
C12N2C15107.3°111.0°
N2C12H13107.5°109.4°
N2C12H14107.6°109.5°
C13N2C15105.3°111.0°
N2C13H16107.4°109.4°
N2C13H15107.4°109.4°
N2C15C16113.0°109.5°
N2C15H19108.5°109.5°
N2C15H20108.6°109.5°
C15C16C17111.9°109.5°
C16C15H19108.6°109.4°
C16C15H20108.5°109.4°
C15C16H21108.9°109.5°
C15C16H22108.9°109.5°
C16C17C18119.4°120.0°
C16C17C22121.0°120.0°
C17C16H21108.9°109.4°
C17C16H22108.9°109.5°
C17C18C19120.0°120.0°
C18C17C22119.7°120.0°
C17C18H23120.0°119.9°
C18C19C20120.7°120.0°
C19C18H23120.0°120.0°
C18C19H24119.7°120.0°
C17C22C21120.0°120.0°
C17C22H27120.0°120.0°
C19C20C21119.5°120.0°
C19C20H25120.3°120.0°
C20C19H24119.6°120.0°
C22C21C20120.2°120.1°
C22C21H26119.9°120.0°
C21C22H27120.0°120.0°
C21C20H25120.2°120.0°
C20C21H26119.9°120.0°
H16C13H15109.5°109.5°
H19C15H20109.5°109.5°
H28C24H30109.4°109.5°
H28C24H29109.5°109.4°
H30C24H29109.5°109.5°
H3C1H1109.4°109.5°
H3C1H2109.4°109.4°
H1C1H2109.5°109.5°
H12C11H11109.5°109.6°
H13C12H14109.5°109.4°
H17C14H18109.5°109.6°
H21C16H22109.5°109.5°
H5C2H4109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2C23O3C2473.4°0.0°
O2C23O3C10179.3°180.0°
O2C23C10N148.3°140.3°
O2C23C10C1175.3°20.3°
O2C23C10C14168.7°99.5°
C1C2C3H5120.2°119.9°
C1C2C3H4120.2°120.1°
C1C2C3O129.7°22.8°
C1C2C3N1150.3°157.2°
C2C1H3H1120.0°120.0°
C2C1H3H2120.0°120.0°
C2C1H1H2120.0°120.1°
C1C2H5H4119.3°120.0°
C2C3O1N1180.0°180.0°
C2C3N1C40.1°177.6°
C2C3N1C10179.5°2.6°
C3C2C1H3180.0°60.0°
C3C2C1H160.0°180.0°
C3C2C1H260.0°59.9°
C3C2H5H4119.3°120.1°
C24O3C23C10107.3°180.0°
O3C24H28H30120.0°120.0°
O3C24H28H29120.0°120.0°
O3C24H30H29120.0°120.0°
O1C3N1C4179.8°2.4°
O1C3N1C100.5°177.3°
O1C3C2H5149.9°142.7°
O1C3C2H490.6°97.3°
C3N1C10C2348.8°50.5°
C3N1C4C5105.8°133.2°
C3N1C4C10179.7°179.8°
C3N1C4C974.3°47.0°
C3N1C10C11165.7°69.6°
C3N1C10C1472.9°170.7°
N1C3C2H530.0°37.3°
N1C3C2H489.5°82.7°
O3C23C10N1132.4°39.7°
O3C23C10C11104.0°159.7°
O3C23C10C1412.0°80.5°
C23O3C24H28180.0°180.0°
C23O3C24H3060.0°60.1°
C23O3C24H2960.0°60.0°
C23C10N1C4130.8°129.7°
C23C10N1C11116.8°120.1°
C23C10N1C14121.7°120.2°
C23C10C11C14120.2°120.0°
C23C10C11C1277.2°62.3°
C23C10C14C1374.0°62.3°
C23C10C11H12162.7°177.8°
C23C10C11H1142.9°57.6°
C23C10C14H1747.0°57.6°
C23C10C14H18165.0°177.8°
C6C5C4H6180.0°179.9°
C5C6C7H7180.0°179.9°
C6C5C4N1179.6°180.0°
C6C5C4C90.3°0.2°
C5C6C7C80.2°0.1°
C5C6C7H8179.9°179.9°
C4C5C6C70.1°0.1°
C5C4N1C9179.9°179.8°
C5C4N1C1073.8°46.6°
C5C4C9C80.2°0.6°
C4C5C6H7179.9°180.0°
C5C4C9H10179.8°179.8°
C6C7C8H8180.0°180.0°
C6C7C8C90.2°0.3°
C7C6C5H6179.9°180.0°
C6C7C8H9179.8°180.0°
C4N1C10C1114.0°110.2°
C4N1C10C14107.5°9.5°
N1C4C9C8179.7°179.6°
N1C4C5H60.4°0.0°
N1C4C9H100.3°0.0°
C10N1C4C9106.1°133.2°
N1C10C11C14123.7°119.9°
N1C10C11C12166.7°177.6°
N1C10C14C13169.1°177.6°
N1C10C11H1246.7°57.7°
N1C10C11H1173.2°62.5°
N1C10C14H1769.9°62.5°
N1C10C14H1848.1°57.6°
C4C9C8C70.0°0.6°
C4C9C8H10180.0°179.6°
C9C4C5H6179.7°179.7°
C4C9C8H9180.0°179.7°
C10C11C12H12120.1°119.9°
C10C11C12H11120.1°120.0°
C11C10C14C1341.9°57.7°
C10C11C12N254.2°59.2°
C10C11H12H11119.8°120.2°
C10C11C12H13175.3°179.2°
C10C11C12H1466.9°60.9°
C11C10C14H17162.9°177.6°
C11C10C14H1879.1°62.3°
C14C10C11C1243.0°57.7°
C10C14C13H17121.0°119.9°
C10C14C13H18121.0°119.9°
C10C14C13N247.7°59.2°
C10C14C13H1673.5°60.8°
C10C14C13H15168.8°179.2°
C14C10C11H1277.0°62.2°
C14C10C11H11163.1°177.6°
C10C14H17H18116.8°120.1°
C7C8C9H9180.0°179.7°
C8C7C6H7179.8°180.0°
C7C8C9H10180.0°179.7°
C11C12N2H13121.1°120.0°
C11C12N2H14121.1°120.1°
C11C12N2C1356.7°61.7°
C11C12N2C15171.8°174.1°
C12C11H12H11119.8°120.1°
C11C12H13H14116.6°120.0°
C9C8C7H8179.8°179.7°
C14C13N2C1251.8°61.7°
C14C13N2H16121.1°120.0°
C14C13N2H15121.1°120.0°
C14C13N2C15168.2°174.1°
C14C13H16H15116.4°120.0°
C13C14H17H18116.8°120.1°
C12N2C13C15116.4°124.1°
C12N2C15C1675.4°65.8°
C12N2C13H1669.3°58.3°
C12N2C13H15173.0°178.3°
C12N2C15H1945.1°174.2°
C12N2C15H20164.1°54.2°
N2C12C11H1265.8°60.7°
N2C12C11H11174.3°179.1°
N2C12H13H14116.6°120.0°
C13N2C15C16164.9°170.0°
N2C13H16H15116.4°119.9°
C13N2C15H1974.6°50.0°
C13N2C15H2044.4°70.0°
C13N2C12H13177.7°178.3°
C13N2C12H1464.4°58.3°
N2C13C14H17168.7°179.1°
N2C13C14H1873.3°60.8°
N2C15C16H19120.5°120.0°
N2C15C16H20120.5°120.0°
N2C15C16C17164.4°180.0°
C15N2C13H1647.1°65.8°
C15N2C13H1570.7°54.1°
N2C15H19H20118.4°120.0°
C15N2C12H1367.1°54.1°
C15N2C12H1450.8°65.8°
N2C15C16H2144.0°60.0°
N2C15C16H2275.3°60.0°
C15C16C17H21120.4°120.0°
C15C16C17H22120.4°120.0°
C15C16C17C18102.7°89.7°
C15C16C17C2277.6°90.0°
C16C15H19H20118.3°120.0°
C15C16H21H22118.9°120.0°
C16C17C18C22179.7°179.7°
C16C17C18C19179.7°179.7°
C16C17C22C21179.7°180.0°
C17C16C15H1975.1°60.0°
C17C16C15H2043.8°60.0°
C16C17C22H270.3°0.0°
C17C16H21H22118.9°120.0°
C16C17C18H230.4°0.3°
C17C18C19H23180.0°180.0°
C17C18C19C200.3°0.0°
C18C17C22C210.0°0.3°
C18C17C22H27180.0°179.7°
C18C17C16H21136.9°150.3°
C18C17C16H2217.6°30.3°
C17C18C19H24179.7°180.0°
C19C18C17C220.0°0.0°
C18C19C20H24180.0°180.0°
C18C19C20C210.6°0.3°
C18C19C20H25179.4°179.7°
C17C22C21H27180.0°180.0°
C17C22C21C200.2°0.6°
C17C22C21H26179.8°179.4°
C22C17C16H2142.8°30.0°
C22C17C16H22162.1°150.0°
C22C17C18H23179.9°180.0°
C19C20C21C220.5°0.6°
C19C20C21H25180.0°179.4°
C19C20C21H26179.5°179.4°
C20C19C18H23179.6°180.0°
C22C21C20H26180.0°180.0°
C22C21C20H25179.5°180.0°
C20C21C22H27179.8°179.4°
C21C20C19H24179.5°179.7°
H6C5C6H70.0°0.0°
H7C6C7H80.2°0.0°
H8C7C8H90.2°0.0°
H9C8C9H100.0°0.0°
H16C13C14H1747.5°59.1°
H16C13C14H18165.5°179.2°
H15C13C14H1770.2°60.9°
H15C13C14H1847.8°59.2°
H19C15C16H21164.5°60.0°
H19C15C16H2245.2°180.0°
H20C15C16H2176.6°180.0°
H20C15C16H22164.2°60.0°
H25C20C21H260.5°0.0°
H25C20C19H240.6°0.2°
H26C21C22H270.2°0.6°
H28C24H30H29120.0°120.0°
H3C1H1H2120.0°120.0°
H3C1C2H559.7°180.0°
H3C1C2H459.8°60.0°
H1C1C2H560.2°60.1°
H1C1C2H4179.7°59.9°
H2C1C2H5179.7°60.0°
H2C1C2H460.2°180.0°
H12C11C12H1355.2°59.3°
H12C11C12H14173.1°179.2°
H11C11C12H1364.6°60.9°
H11C11C12H1453.2°59.1°
H23C18C19H240.3°0.1°

223532

PDB entries from 2024-08-07

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