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5WJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C20doub1.39Å1.40ÅAromatic
C19C18sing1.38Å1.39ÅAromatic
C20C21sing1.38Å1.40ÅAromatic
C18C17doub1.39Å1.40ÅAromatic
C8C9sing1.51Å1.53Å
C8C7sing1.54Å1.54Å
C9C10sing1.53Å1.53Å
C21C22doub1.40Å1.40ÅAromatic
C17C22sing1.41Å1.41ÅAromatic
C17C16sing1.47Å1.48Å
C7N1sing1.48Å1.48Å
O4C16doub1.22Å1.22Å
C22C15sing1.46Å1.47Å
C16N3sing1.35Å1.41Å
C10C11sing1.47Å1.53Å
OCdoub1.21Å1.23Å
C3O1sing1.43Å1.43Å
N1C12sing1.45Å1.48Å
N1Ssing1.66Å1.65Å
C4C5doub1.38Å1.39ÅAromatic
C4C2sing1.39Å1.40ÅAromatic
O1C2sing1.36Å1.36Å
C5C6sing1.38Å1.40ÅAromatic
C2C1doub1.39Å1.42ÅAromatic
C15C14sing1.51Å1.49Å
C15N2doub1.30Å1.32Å
C11C12sing1.55Å1.53Å
N3N2sing1.40Å1.34Å
O2Sdoub1.42Å1.42Å
C6C13doub1.38Å1.42ÅAromatic
C6Ssing1.76Å1.69Å
CNsing1.35Å1.38Å
CC14sing1.51Å1.52Å
C1C13sing1.39Å1.42ÅAromatic
C1Nsing1.40Å1.41Å
SO3doub1.42Å1.44Å
C10H1sing1.09Å1.10Å
C10H2sing1.09Å1.10Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C4H8sing1.08Å1.08Å
C5H9sing1.08Å1.08Å
N3H10sing0.97Å1.00Å
C21H11sing1.08Å1.08Å
C20H12sing1.08Å1.08Å
C19H13sing1.08Å1.08Å
C18H14sing1.08Å1.08Å
C14H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
NH17sing0.97Å1.00Å
C13H18sing1.08Å1.08Å
C12H19sing1.09Å1.10Å
C12H20sing1.09Å1.10Å
C11H21sing1.09Å1.10Å
C11H22sing1.09Å1.10Å
C9H23sing1.09Å1.10Å
C9H24sing1.09Å1.10Å
C8H25sing1.09Å1.10Å
C8H26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20C19C18120.8°120.7°
C19C20C21120.3°120.8°
C19C20H12119.9°119.6°
C20C19H13119.6°119.6°
C19C18C17118.9°119.5°
C18C19H13119.6°119.7°
C19C18H14120.5°120.3°
C20C21C22119.7°119.5°
C20C21H11120.2°120.3°
C21C20H12119.8°119.6°
C18C17C22120.8°119.8°
C18C17C16119.8°122.0°
C17C18H14120.5°120.2°
C9C8C7112.1°110.1°
C8C9C10113.5°109.3°
C8C9H23108.5°109.5°
C8C9H24108.4°109.6°
C9C8H25108.8°109.4°
C9C8H26108.8°109.3°
C8C7N1115.4°112.1°
C8C7H3108.0°108.9°
C8C7H4108.0°108.9°
C7C8H25108.8°109.4°
C7C8H26108.8°109.4°
C9C10C11111.7°114.3°
C9C10H1108.9°108.5°
C9C10H2108.9°108.4°
C10C9H23108.4°109.5°
C10C9H24108.5°109.5°
C21C22C17119.5°119.6°
C21C22C15123.4°121.8°
C22C21H11120.2°120.2°
C22C17C16119.4°118.2°
C17C22C15117.1°118.6°
C17C16O4127.2°120.6°
C17C16N3115.2°118.7°
C7N1C12119.5°122.7°
C7N1S121.2°118.7°
N1C7H3108.0°108.9°
N1C7H4108.0°108.9°
O4C16N3117.6°120.6°
C22C15C14120.0°120.0°
C22C15N2123.4°120.1°
C16N3N2126.1°121.8°
C16N3H10117.0°119.1°
C10C11C12111.1°110.3°
C11C10H1108.9°108.5°
C11C10H2108.9°108.5°
C10C11H21109.0°109.3°
C10C11H22109.1°109.3°
OCN122.8°120.0°
OCC14119.5°120.0°
C3O1C2117.4°117.0°
O1C3H5109.5°109.5°
O1C3H6109.5°109.5°
O1C3H7109.5°109.5°
C12N1S119.2°118.6°
N1C12C11114.0°109.6°
N1C12H19108.3°109.4°
N1C12H20108.3°109.5°
N1SO2110.7°106.4°
N1SC6104.2°107.2°
N1SO3106.2°106.4°
C5C4C2120.3°120.0°
C4C5C6122.5°120.2°
C5C4H8119.8°120.0°
C4C5H9118.8°119.9°
C4C2O1123.6°120.1°
C4C2C1119.4°119.8°
C2C4H8119.9°120.0°
O1C2C1117.0°120.1°
C5C6C13117.0°120.2°
C5C6S121.9°119.9°
C6C5H9118.7°119.9°
C2C1C13118.9°119.8°
C2C1N121.9°120.1°
C14C15N2116.6°120.0°
C15C14C116.8°109.5°
C15C14H15107.6°109.4°
C15C14H16107.6°109.4°
C15N2N3118.8°122.7°
C11C12H19108.3°109.5°
C11C12H20108.3°109.4°
C12C11H21109.1°109.3°
C12C11H22109.1°109.3°
N2N3H10117.0°119.2°
O2SC6109.7°106.4°
O2SO3116.8°123.2°
C13C6S120.9°119.9°
C6C13C1121.8°120.0°
C6C13H18119.1°120.1°
C6SO3108.4°106.4°
NCC14117.6°120.0°
CNC1126.0°120.0°
CNH17117.0°120.0°
CC14H15107.6°109.5°
CC14H16107.6°109.5°
C13C1N119.1°120.1°
C1C13H18119.1°120.0°
C1NH17117.0°120.0°
H1C10H2109.5°108.5°
H3C7H4109.5°108.9°
H5C3H6109.5°109.4°
H5C3H7109.5°109.5°
H6C3H7109.5°109.5°
H15C14H16109.5°109.5°
H19C12H20109.5°109.5°
H21C11H22109.5°109.2°
H23C9H24109.5°109.5°
H25C8H26109.5°109.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20C19C18H13180.0°180.0°
C19C20C21H12180.0°180.0°
C20C19C18C170.4°0.0°
C19C20C21C220.4°0.0°
C19C20C21H11179.6°180.0°
C20C19C18H14179.6°180.0°
C18C19C20C210.3°0.0°
C19C18C17H14180.0°179.9°
C19C18C17C220.1°0.1°
C19C18C17C16179.9°180.0°
C18C19C20H12179.7°180.0°
C20C21C22H11180.0°180.0°
C20C21C22C170.8°0.0°
C20C21C22C15178.5°180.0°
C21C20C19H13179.7°180.0°
C18C17C22C210.7°0.0°
C18C17C22C16179.8°179.9°
C18C17C16O41.6°0.1°
C18C17C22C15178.7°179.9°
C18C17C16N3179.4°179.8°
C17C18C19H13179.6°179.9°
C9C8C7H25120.4°120.3°
C9C8C7H26120.4°120.1°
C8C9C10H23120.6°119.9°
C8C9C10H24120.6°120.0°
C9C8C7N177.3°40.6°
C8C9C10C1164.6°85.0°
C8C9C10H1175.0°153.8°
C8C9C10H255.7°36.2°
C9C8C7H3161.8°161.3°
C9C8C7H443.6°80.0°
C8C9H23H24118.1°120.1°
C9C8H25H26118.8°119.7°
C7C8C9C1083.2°91.9°
C8C7N1H3120.9°120.7°
C8C7N1H4120.9°120.6°
C8C7N1C1216.6°42.1°
C8C7N1S160.6°137.9°
C8C7H3H4117.3°118.7°
C7C8C9H2337.4°28.0°
C7C8C9H24156.2°148.1°
C7C8H25H26118.8°119.6°
C9C10C11H1120.3°121.2°
C9C10C11H2120.3°121.1°
C9C10C11C1271.0°62.8°
C9C10H1H2118.9°117.5°
C9C10C11H2149.2°176.9°
C9C10C11H22168.7°57.4°
C10C9H23H24118.2°120.0°
C10C9C8H2537.2°28.3°
C10C9C8H26156.4°147.9°
C21C22C17C15179.4°180.0°
C21C22C17C16179.5°180.0°
C21C22C15C143.7°0.0°
C21C22C15N2179.3°179.8°
C22C21C20H12179.6°180.0°
C22C17C16O4178.6°180.0°
C22C17C16N30.4°0.3°
C17C22C15C14175.7°180.0°
C17C22C15N21.3°0.2°
C17C22C21H11179.1°180.0°
C22C17C18H14179.9°180.0°
C17C16O4N3178.9°179.7°
C16C17C22C151.1°0.0°
C17C16N3N20.3°0.3°
C17C16N3H10179.7°179.7°
C16C17C18H140.1°0.1°
C7N1C12S177.2°180.0°
C7N1C12C1157.4°90.7°
C7N1SO246.2°23.5°
C7N1SC671.7°90.0°
C7N1SO3173.9°156.4°
N1C7H3H4117.3°118.7°
C7N1C12H1963.2°149.2°
C7N1C12H20178.1°29.3°
N1C7C8H2543.1°79.7°
N1C7C8H26162.3°160.8°
O4C16N3N2179.4°180.0°
O4C16N3H100.6°0.0°
C22C15C14N2177.2°179.8°
C22C15N2N30.6°0.2°
C22C15C14C70.9°180.0°
C15C22C21H111.5°0.0°
C22C15C14H15168.0°60.0°
C22C15C14H1650.1°60.0°
C16N3N2C150.2°0.0°
C16N3N2H10180.0°180.0°
C10C11C12N190.1°71.3°
C10C11C12H21120.2°120.2°
C10C11C12H22120.3°120.3°
C11C10H1H2119.0°117.8°
C10C11C12H1930.5°168.7°
C10C11C12H20149.2°48.7°
C10C11H21H22119.3°119.6°
C11C10C9H2356.0°34.9°
C11C10C9H24174.8°155.0°
OCC14C1515.7°0.1°
OCNC14178.6°179.9°
OCNC12.0°4.6°
OCC14H15105.4°120.0°
OCC14H16136.7°119.9°
OCNH17177.9°175.6°
C3O1C2C411.0°0.1°
C3O1C2C1168.7°180.0°
O1C3H5H6120.0°120.0°
O1C3H5H7120.0°120.1°
O1C3H6H7120.0°120.1°
N1C12C11H19120.6°120.0°
N1C12C11H20120.6°120.0°
C12N1SO2136.6°156.5°
C12N1SC6105.5°90.0°
C12N1SO38.9°23.6°
C12N1C7H3137.4°78.6°
C12N1C7H4104.3°162.7°
N1C12H19H20117.9°120.0°
N1C12C11H2130.1°168.5°
N1C12C11H22149.6°49.0°
N1SC6C5131.2°90.0°
SN1C12C11125.3°89.3°
N1SO2C6114.5°114.1°
N1SO2O3121.7°122.9°
N1SC6C1352.9°90.0°
N1SC6O3112.8°113.5°
SN1C7H339.7°101.5°
SN1C7H478.5°17.2°
SN1C12H19114.0°30.8°
SN1C12H204.7°150.7°
C5C4C2H8180.0°179.9°
C5C4C2O1179.3°179.9°
C4C5C6H9180.0°180.0°
C5C4C2C10.4°0.0°
C4C5C6C131.1°0.0°
C4C5C6S174.9°180.0°
C4C2O1C1179.8°179.9°
C2C4C5C60.2°0.0°
C4C2C1C130.7°0.0°
C4C2C1N174.9°179.7°
C2C4C5H9179.8°180.0°
O1C2C1C13179.6°180.0°
O1C2C1N4.9°0.2°
C2O1C3H5180.0°179.9°
C2O1C3H660.0°60.0°
C2O1C3H760.0°60.0°
O1C2C4H80.7°0.0°
C5C6SO212.7°156.5°
C5C6C13S176.1°180.0°
C5C6C13C12.3°0.0°
C5C6SO3115.9°23.5°
C6C5C4H8179.8°180.0°
C5C6C13H18177.7°179.8°
C2C1C13C62.1°0.0°
C2C1NC142.2°145.1°
C2C1C13N175.7°179.8°
C1C2C4H8179.6°179.9°
C2C1NH1737.7°34.8°
C2C1C13H18177.9°179.8°
C14C15N2N3176.5°180.0°
C15C14CN162.9°179.9°
C15C14CH15121.1°119.9°
C15C14CH16121.0°120.0°
C15C14H15H16116.7°120.0°
N2C15C14C106.3°0.2°
C15N2N3H10179.8°180.0°
N2C15C14H1514.8°119.7°
N2C15C14H16132.7°120.2°
C12C11C10H1168.6°176.0°
C12C11C10H249.3°58.2°
C11C12H19H20118.0°119.9°
C12C11H21H22119.3°119.6°
O2SC6C13171.5°23.5°
O2SC6O3128.6°132.9°
C6C13C1H18180.0°179.8°
C6C13C1N173.6°179.7°
C13C6SO359.9°156.4°
C13C6C5H9178.8°180.0°
SC6C13C1173.8°180.0°
SC6C5H95.1°0.0°
SC6C13H186.2°0.2°
CNC1C1342.2°34.7°
CNC1H17180.0°179.9°
NCC14H1576.0°60.1°
NCC14H1641.9°60.0°
C14CNC1179.4°175.5°
CC14H15H16116.7°120.1°
C14CNH170.6°4.3°
C13C1NH17137.8°145.4°
NC1C13H186.4°0.0°
H1C10C11H2171.1°55.7°
H1C10C11H2248.4°63.8°
H1C10C9H2364.4°86.3°
H1C10C9H2454.4°33.8°
H2C10C11H21169.5°62.0°
H2C10C11H2271.0°178.5°
H2C10C9H23176.3°156.1°
H2C10C9H2464.9°83.8°
H3C7C8H2577.8°41.0°
H3C7C8H2641.5°78.6°
H4C7C8H25164.0°159.7°
H4C7C8H2676.8°40.1°
H5C3H6H7120.0°119.9°
H8C4C5H90.2°0.0°
H11C21C20H120.4°0.0°
H12C20C19H130.3°0.0°
H13C19C18H140.4°0.0°
H19C12C11H21150.7°48.5°
H19C12C11H2289.8°71.0°
H20C12C11H2190.5°71.5°
H20C12C11H2229.0°169.0°
H23C9C8H25157.8°148.2°
H23C9C8H2683.0°92.1°
H24C9C8H2583.4°91.6°
H24C9C8H2635.8°28.0°

222415

PDB entries from 2024-07-10

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