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SummaryGeometryPCM/PTMRelated PDB entries

RIR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
IR1C17sing2.14Å2.09Å
IR1C18sing2.14Å2.11Å
IR1C19sing2.14Å2.12Å
IR1C20sing2.14Å2.12Å
IR1C21sing2.14Å2.10Å
C17C18doub1.42Å1.45ÅAromatic
C17C21sing1.42Å1.33ÅAromatic
C17C22sing1.51Å1.54Å
C18C19sing1.42Å1.40ÅAromatic
C18C23sing1.51Å1.54Å
C19C20sing1.42Å1.40ÅAromatic
C19C24sing1.51Å1.55Å
C20C21doub1.42Å1.37ÅAromatic
C20C25sing1.51Å1.52Å
C21C26sing1.51Å1.54Å
C22H1sing0.97Å1.10Å
C22H2sing0.97Å1.10Å
C22H3sing0.97Å1.10Å
C23H4sing0.97Å1.10Å
C23H5sing0.97Å1.10Å
C23H6sing0.97Å1.10Å
C24H7sing0.97Å1.10Å
C24H8sing0.97Å1.10Å
C24H9sing0.97Å1.10Å
C25H10sing0.97Å1.10Å
C25H11sing0.97Å1.10Å
C25H12sing0.97Å1.10Å
C26H13sing0.97Å1.10Å
C26H14sing0.97Å1.10Å
C26H15sing0.97Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C17IR1C1840.3°38.8°
C17IR1C1964.3°65.0°
C17IR1C2062.6°65.0°
C17IR1C2137.1°38.8°
IR1C17C1870.4°70.8°
IR1C17C2171.9°70.6°
IR1C17C22133.0°124.9°
C18IR1C1938.6°38.7°
C18IR1C2065.0°64.9°
C18IR1C2166.1°64.9°
IR1C18C1769.3°70.4°
IR1C18C1971.3°70.5°
IR1C18C23108.1°124.1°
C19IR1C2038.7°38.8°
C19IR1C2164.9°65.0°
IR1C19C1870.1°70.8°
IR1C19C2070.4°70.6°
IR1C19C24137.3°123.9°
C20IR1C2138.0°38.9°
IR1C20C1970.9°70.6°
IR1C20C2170.4°70.5°
IR1C20C25124.5°124.1°
IR1C21C1771.0°70.6°
IR1C21C2071.5°70.6°
IR1C21C26114.7°124.6°
C18C17C21111.1°108.0°
C18C17C22135.9°127.5°
C17C18C19103.9°108.0°
C17C18C23135.7°127.1°
C21C17C22112.0°124.4°
C17C21C20107.5°108.0°
C17C21C26120.7°124.6°
C17C22H1109.5°110.0°
C17C22H2109.5°110.4°
C17C22H3109.5°109.5°
C19C18C23117.2°125.0°
C18C19C20108.1°108.1°
C18C19C24118.1°125.9°
C18C23H4109.5°110.0°
C18C23H5109.5°110.3°
C18C23H6109.5°109.6°
C20C19C24131.8°126.0°
C19C20C21109.4°107.9°
C19C20C25130.5°125.2°
C19C24H7109.5°110.2°
C19C24H8109.5°110.2°
C19C24H9109.5°109.5°
C21C20C25120.1°126.9°
C20C21C26131.0°127.4°
C20C25H10109.5°110.3°
C20C25H11109.5°110.0°
C20C25H12109.5°109.5°
C21C26H13109.5°110.3°
C21C26H14109.5°110.0°
C21C26H15109.5°109.5°
H1C22H2109.4°108.5°
H1C22H3109.4°109.3°
H2C22H3109.5°109.2°
H4C23H5109.5°108.5°
H4C23H6109.4°109.2°
H5C23H6109.5°109.2°
H7C24H8109.4°108.3°
H7C24H9109.5°109.3°
H8C24H9109.5°109.3°
H10C25H11109.5°108.5°
H10C25H12109.5°109.3°
H11C25H12109.5°109.3°
H13C26H14109.4°108.4°
H13C26H15109.5°109.2°
H14C26H15109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C17IR1C18C19113.6°118.3°
C17IR1C18C2076.3°80.7°
C17IR1C18C2134.4°37.6°
C17IR1C19C2077.5°80.6°
C17IR1C19C2141.3°43.0°
C17IR1C20C2137.4°37.5°
IR1C17C18C22132.3°119.7°
IR1C17C21C22129.9°119.6°
C17IR1C18C23133.0°122.1°
C17IR1C19C24151.4°158.5°
C17IR1C20C25151.1°159.5°
C17IR1C21C26115.9°119.2°
IR1C17C22H1180.0°45.3°
IR1C17C22H260.0°74.3°
IR1C17C22H360.0°165.4°
C18IR1C19C20118.7°118.1°
C18IR1C19C2182.5°80.5°
C18IR1C20C2182.5°80.5°
IR1C18C19C23101.2°118.5°
C18IR1C19C24110.2°121.0°
C18IR1C20C25163.8°157.5°
C18IR1C21C26153.1°156.8°
IR1C18C23H4180.0°130.8°
IR1C18C23H560.0°109.6°
IR1C18C23H660.0°10.7°
C19IR1C20C21119.7°118.0°
C19IR1C17C22174.7°160.4°
IR1C19C20C24136.7°118.3°
C19IR1C20C25126.6°119.9°
C19IR1C21C26164.3°160.3°
IR1C19C24H7180.0°119.8°
IR1C19C24H860.0°120.7°
IR1C19C24H960.0°0.5°
C20IR1C17C22141.9°156.7°
C20IR1C18C23150.7°157.2°
IR1C20C21C25119.3°118.6°
C20IR1C21C26127.4°122.7°
IR1C20C25H10180.0°110.2°
IR1C20C25H1160.0°130.2°
IR1C20C25H1260.0°10.1°
C21IR1C18C23167.4°159.7°
C21IR1C19C24167.3°158.6°
IR1C21C26H13180.0°73.0°
IR1C21C26H1460.0°46.5°
IR1C21C26H1560.0°166.7°
C18C17C21C22170.3°179.1°
C17C18C19C23163.2°179.2°
C17C18C19C201.6°0.4°
C17C18C19C24164.2°179.1°
C18C17C21C202.9°0.3°
C18C17C21C26167.8°179.4°
C18C17C22H172.3°137.1°
C18C17C22H2167.7°17.4°
C18C17C22H347.7°102.8°
C17C18C23H4101.5°139.1°
C17C18C23H518.5°19.5°
C17C18C23H6138.5°100.8°
C21C17C18C192.8°0.4°
C21C17C18C23155.6°179.6°
C17C21C20C191.8°0.1°
C17C21C20C26169.4°179.7°
C17C21C20C25178.5°179.6°
C21C17C22H194.7°44.0°
C21C17C22H225.3°163.7°
C21C17C22H3145.3°76.1°
C17C21C26H1398.3°162.1°
C17C21C26H14141.7°42.7°
C17C21C26H1521.8°77.6°
C22C17C18C19164.2°179.5°
C22C17C18C2337.3°1.3°
C22C17C21C20167.4°179.4°
C22C17C21C2621.9°0.3°
C17C22H1H2120.0°120.8°
C17C22H1H3120.0°120.3°
C17C22H2H3120.0°120.4°
C18C19C20C24163.1°179.5°
C18C19C20C210.0°0.2°
C18C19C20C25179.7°179.9°
C19C18C23H4102.2°41.9°
C19C18C23H5137.8°161.5°
C19C18C23H617.8°78.2°
C18C19C24H789.5°150.4°
C18C19C24H830.5°30.9°
C18C19C24H9150.5°89.3°
C23C18C19C20161.6°179.6°
C23C18C19C2432.6°0.1°
C18C23H4H5120.0°120.7°
C18C23H4H6120.0°120.3°
C18C23H5H6120.0°120.5°
C19C20C21C25179.8°179.7°
C19C20C21C26167.6°179.7°
C20C19C24H772.3°30.2°
C20C19C24H8167.8°149.7°
C20C19C24H947.8°90.1°
C19C20C25H1086.2°160.5°
C19C20C25H1133.8°41.0°
C19C20C25H12153.8°79.1°
C24C19C20C21163.1°179.3°
C24C19C20C2517.2°0.4°
C19C24H7H8120.0°120.7°
C19C24H7H9120.0°120.4°
C19C24H8H9120.0°120.3°
C21C20C25H1094.1°19.8°
C21C20C25H11145.9°139.4°
C21C20C25H1225.9°100.5°
C20C21C26H1393.5°18.2°
C20C21C26H1426.5°137.7°
C20C21C26H15146.4°102.1°
C25C20C21C2612.2°0.7°
C20C25H10H11120.0°120.5°
C20C25H10H12120.0°120.5°
C20C25H11H12120.0°120.3°
C21C26H13H14120.0°120.5°
C21C26H13H15120.0°120.4°
C21C26H14H15120.0°120.4°
H1C22H2H3119.9°119.0°
H4C23H5H6119.9°119.0°
H7C24H8H9120.0°119.0°
H10C25H11H12120.0°119.0°
H13C26H14H15120.0°119.0°

259693

PDB entries from 2026-09-16

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