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PNR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1N1sing1.22Å1.23Å
C21C20doub1.38Å1.39ÅAromatic
C21C22sing1.38Å1.39ÅAromatic
C20C19sing1.39Å1.39ÅAromatic
N1C22sing1.48Å1.39Å
N1O2doub1.22Å1.22Å
C22C23doub1.38Å1.36ÅAromatic
C12C11sing1.53Å1.53Å
C12C13sing1.53Å1.52Å
C19O18sing1.36Å1.36Å
C19C24doub1.39Å1.39ÅAromatic
O18C16sing1.34Å1.45Å
C23C24sing1.38Å1.34ÅAromatic
C11C10sing1.53Å1.53Å
C14C13sing1.53Å1.52Å
C14C15sing1.53Å1.52Å
C2C1sing1.53Å1.50Å
C2C3sing1.53Å1.51Å
C15C16sing1.51Å1.51Å
C16O17doub1.21Å1.21Å
C3C4sing1.53Å1.51Å
C10C9sing1.53Å1.52Å
C9C8sing1.53Å1.53Å
C4C5sing1.53Å1.54Å
C5C6sing1.53Å1.53Å
C8C7sing1.53Å1.52Å
C7C6sing1.53Å1.52Å
C21H1sing1.08Å1.08Å
C20H2sing1.08Å1.08Å
C23H3sing1.08Å1.08Å
C24H4sing1.08Å1.08Å
C15H5sing1.09Å1.10Å
C15H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C14H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C11H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C10H16sing1.09Å1.10Å
C9H17sing1.09Å1.10Å
C9H18sing1.09Å1.10Å
C8H19sing1.09Å1.10Å
C8H20sing1.09Å1.10Å
C7H21sing1.09Å1.10Å
C7H22sing1.09Å1.10Å
C6H23sing1.09Å1.10Å
C6H24sing1.09Å1.10Å
C5H25sing1.09Å1.10Å
C5H26sing1.09Å1.10Å
C4H27sing1.09Å1.10Å
C4H28sing1.09Å1.10Å
C3H29sing1.09Å1.10Å
C3H30sing1.09Å1.10Å
C2H31sing1.09Å1.10Å
C2H32sing1.09Å1.10Å
C1H33sing1.09Å1.10Å
C1H34sing1.09Å1.10Å
C1H35sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1N1C22118.7°120.0°
O1N1O2122.5°120.0°
C20C21C22120.3°120.1°
C21C20C19117.8°119.9°
C20C21H1119.8°119.9°
C21C20H2121.1°120.1°
C21C22N1123.6°120.0°
C21C22C23120.9°120.1°
C22C21H1119.9°120.0°
C20C19O18122.2°120.0°
C20C19C24119.7°119.9°
C19C20H2121.1°120.1°
C22N1O2118.8°120.0°
N1C22C23115.6°119.9°
C22C23C24119.4°120.0°
C22C23H3120.3°120.0°
C11C12C13111.9°109.4°
C12C11C10116.8°109.5°
C11C12H11108.9°109.5°
C11C12H12108.9°109.5°
C12C11H13107.6°109.5°
C12C11H14107.6°109.5°
C12C13C14113.0°109.5°
C12C13H9108.6°109.5°
C12C13H10108.6°109.5°
C13C12H11108.9°109.5°
C13C12H12108.9°109.5°
O18C19C24118.1°120.0°
C19O18C16116.9°117.0°
C19C24C23121.9°119.9°
C19C24H4119.0°120.0°
O18C16C15122.4°120.0°
O18C16O17114.9°120.0°
C24C23H3120.3°120.0°
C23C24H4119.1°120.0°
C11C10C9111.2°109.5°
C10C11H13107.6°109.4°
C10C11H14107.6°109.5°
C11C10H15109.0°109.5°
C11C10H16109.0°109.5°
C13C14C15111.3°109.5°
C13C14H7109.0°109.5°
C13C14H8109.0°109.5°
C14C13H9108.6°109.5°
C14C13H10108.6°109.4°
C14C15C16113.1°109.5°
C14C15H5108.5°109.5°
C14C15H6108.5°109.5°
C15C14H7109.1°109.5°
C15C14H8109.0°109.5°
C1C2C3114.5°109.4°
C1C2H31108.2°109.5°
C1C2H32108.2°109.5°
C2C1H33109.5°109.5°
C2C1H34109.5°109.5°
C2C1H35109.5°109.5°
C2C3C4116.3°109.5°
C2C3H29107.8°109.5°
C2C3H30107.7°109.5°
C3C2H31108.2°109.5°
C3C2H32108.2°109.4°
C15C16O17122.4°120.0°
C16C15H5108.6°109.4°
C16C15H6108.6°109.5°
C3C4C5112.9°109.5°
C3C4H27108.6°109.5°
C3C4H28108.6°109.5°
C4C3H29107.7°109.5°
C4C3H30107.7°109.4°
C10C9C8115.2°109.5°
C9C10H15109.0°109.5°
C9C10H16109.0°109.5°
C10C9H17108.0°109.5°
C10C9H18108.0°109.5°
C9C8C7112.3°109.4°
C8C9H17108.0°109.5°
C8C9H18108.0°109.5°
C9C8H19108.8°109.4°
C9C8H20108.7°109.5°
C4C5C6112.2°109.5°
C4C5H25108.8°109.5°
C4C5H26108.8°109.4°
C5C4H27108.6°109.5°
C5C4H28108.6°109.5°
C5C6C7116.4°109.5°
C5C6H23107.7°109.5°
C5C6H24107.7°109.4°
C6C5H25108.8°109.5°
C6C5H26108.8°109.5°
C8C7C6112.0°109.4°
C7C8H19108.8°109.5°
C7C8H20108.8°109.5°
C8C7H21108.8°109.4°
C8C7H22108.8°109.5°
C6C7H21108.8°109.5°
C6C7H22108.8°109.5°
C7C6H23107.7°109.5°
C7C6H24107.7°109.5°
H5C15H6109.5°109.5°
H7C14H8109.5°109.5°
H9C13H10109.5°109.5°
H11C12H12109.5°109.4°
H13C11H14109.5°109.5°
H15C10H16109.5°109.4°
H17C9H18109.5°109.5°
H19C8H20109.4°109.4°
H21C7H22109.5°109.5°
H23C6H24109.5°109.5°
H25C5H26109.5°109.5°
H27C4H28109.5°109.5°
H29C3H30109.5°109.4°
H31C2H32109.4°109.6°
H33C1H34109.5°109.5°
H33C1H35109.5°109.4°
H34C1H35109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1N1C22C21140.4°0.0°
O1N1C22O2179.5°179.7°
O1N1C22C2339.8°179.8°
C20C21C22H1180.0°180.0°
C21C20C19H2180.0°180.0°
C20C21C22N1179.7°180.0°
C20C21C22C230.6°0.2°
C21C20C19O18178.4°180.0°
C21C20C19C240.1°0.2°
C22C21C20C190.4°0.0°
C21C22N1C23179.8°179.8°
C21C22N1O239.1°179.7°
C21C22C23C242.1°0.2°
C22C21C20H2179.5°180.0°
C21C22C23H3177.9°179.7°
C20C19O18C24178.5°179.8°
C20C19O18C16134.2°111.0°
C20C19C24C231.6°0.3°
C19C20C21H1179.6°180.0°
C20C19C24H4178.4°179.7°
N1C22C23C24178.1°179.9°
N1C22C21H10.3°0.0°
N1C22C23H31.9°0.1°
O2N1C22C23140.7°0.1°
C22C23C24C192.7°0.1°
C22C23C24H3180.0°179.9°
C23C22C21H1179.4°179.8°
C22C23C24H4177.3°179.9°
C11C12C13H11120.3°120.0°
C11C12C13H12120.4°120.0°
C12C11C10H13121.0°120.0°
C12C11C10H14121.1°120.0°
C11C12C13C14168.1°180.0°
C12C11C10C9139.6°NaN°
C11C12C13H947.5°60.0°
C11C12C13H1071.4°60.1°
C11C12H11H12118.9°120.0°
C12C11H13H14116.7°120.0°
C12C11C10H1519.4°60.0°
C12C11C10H16100.1°60.0°
C13C12C11C1042.0°180.0°
C12C13C14H9120.5°120.0°
C12C13C14H10120.5°120.0°
C12C13C14C15179.9°180.0°
C12C13C14H759.8°60.0°
C12C13C14H859.7°60.0°
C12C13H9H10118.4°120.1°
C13C12H11H12118.9°120.0°
C13C12C11H13163.0°60.0°
C13C12C11H1479.1°60.0°
O18C19C24C23176.9°179.9°
C19O18C16C15108.5°174.2°
C19O18C16O1765.3°5.8°
O18C19C20H21.6°0.1°
O18C19C24H43.1°0.1°
C24C19O18C1644.3°69.2°
C19C24C23H4180.0°179.9°
C24C19C20H2180.0°179.7°
C19C24C23H3177.4°180.0°
O18C16C15C1449.0°180.0°
O18C16C15O17173.4°180.0°
O18C16C15H5169.6°60.0°
O18C16C15H671.5°60.0°
C11C10C9H15120.2°120.0°
C11C10C9H16120.2°120.0°
C11C10C9C8177.1°180.0°
C10C11C12H11162.3°60.0°
C10C11C12H1278.4°60.0°
C10C11H13H14116.7°119.9°
C11C10H15H16119.2°120.0°
C11C10C9H1762.0°60.0°
C11C10C9H1856.3°60.1°
C13C14C15H7120.3°120.0°
C13C14C15H8120.3°120.0°
C13C14C15C16175.2°180.0°
C13C14C15H554.7°60.0°
C13C14C15H664.2°60.0°
C13C14H7H8119.2°120.0°
C14C13H9H10118.4°119.9°
C14C13C12H1171.6°60.0°
C14C13C12H1247.7°60.0°
C14C15C16H5120.5°120.0°
C14C15C16H6120.5°120.0°
C14C15C16O17124.4°0.0°
C14C15H5H6118.3°120.0°
C15C14H7H8119.2°120.0°
C15C14C13H959.4°60.0°
C15C14C13H1059.6°60.0°
C1C2C3H31120.7°120.0°
C1C2C3H32120.8°120.0°
C1C2C3C448.4°180.0°
C1C2C3H29169.4°60.0°
C1C2C3H3072.6°60.0°
C1C2H31H32117.7°120.0°
C2C1H33H34120.0°120.1°
C2C1H33H35120.0°120.0°
C2C1H34H35120.0°120.0°
C2C3C4H29121.0°120.1°
C2C3C4H30121.0°120.0°
C2C3C4C5136.1°180.0°
C2C3C4H27103.4°60.0°
C2C3C4H2815.6°60.0°
C2C3H29H30116.9°120.1°
C3C2H31H32117.7°120.0°
C3C2C1H33180.0°180.0°
C3C2C1H3460.0°60.0°
C3C2C1H3560.0°60.0°
C16C15H5H6118.4°120.0°
C16C15C14H764.5°60.0°
C16C15C14H855.0°60.0°
O17C16C15H53.9°120.0°
O17C16C15H6115.1°120.0°
C3C4C5H27120.5°120.0°
C3C4C5H28120.5°120.0°
C3C4C5C6152.2°180.0°
C3C4C5H2587.4°60.0°
C3C4C5H2631.8°60.0°
C3C4H27H28118.5°120.0°
C4C3H29H30116.9°119.9°
C4C3C2H3172.3°60.0°
C4C3C2H32169.2°60.0°
C10C9C8H17120.8°120.0°
C10C9C8H18120.8°120.0°
C10C9C8C7168.7°180.0°
C9C10C11H1399.3°60.0°
C9C10C11H1418.6°60.0°
C9C10H15H16119.2°120.0°
C10C9H17H18117.4°120.0°
C10C9C8H1970.9°60.0°
C10C9C8H2048.2°60.0°
C9C8C7H19120.4°119.9°
C9C8C7H20120.4°120.1°
C9C8C7C6107.7°180.0°
C8C9C10H1556.9°60.0°
C8C9C10H1662.6°60.0°
C8C9H17H18117.4°120.0°
C9C8H19H20118.7°120.0°
C9C8C7H21131.9°60.0°
C9C8C7H2212.7°59.9°
C4C5C6H25120.4°120.0°
C4C5C6H26120.4°119.9°
C4C5C6C7122.6°180.0°
C4C5C6H23116.4°60.0°
C4C5C6H241.6°60.0°
C4C5H25H26118.7°120.0°
C5C4H27H28118.4°120.0°
C5C4C3H2915.1°59.9°
C5C4C3H30102.9°60.0°
C5C6C7C8103.4°180.0°
C5C6C7H23121.0°120.0°
C5C6C7H24121.0°120.0°
C5C6C7H21136.2°60.0°
C5C6C7H2216.9°60.0°
C5C6H23H24116.8°119.9°
C6C5H25H26118.8°120.0°
C6C5C4H2731.7°60.0°
C6C5C4H2887.3°60.0°
C8C7C6H21120.4°119.9°
C8C7C6H22120.4°120.1°
C7C8C9H1747.8°60.1°
C7C8C9H1870.5°60.0°
C7C8H19H20118.7°120.1°
C8C7H21H22118.9°120.0°
C8C7C6H23135.6°60.1°
C8C7C6H2417.6°60.0°
C6C7C8H1912.7°60.1°
C6C7C8H20131.9°59.9°
C6C7H21H22118.9°120.0°
C7C6H23H24116.8°120.1°
C7C6C5H252.2°60.0°
C7C6C5H26117.0°60.0°
H1C21C20H20.4°0.0°
H3C23C24H42.6°0.0°
H5C15C14H7175.0°180.0°
H5C15C14H865.6°60.0°
H6C15C14H756.1°60.0°
H6C15C14H8175.5°NaN°
H7C14C13H9179.7°180.0°
H7C14C13H1060.7°60.0°
H8C14C13H960.9°60.0°
H8C14C13H10179.8°180.0°
H9C13C12H11167.9°180.0°
H9C13C12H1272.8°60.0°
H10C13C12H1148.9°59.9°
H10C13C12H12168.2°179.9°
H11C12C11H1376.7°179.9°
H11C12C11H1441.2°60.0°
H12C12C11H1342.6°60.0°
H12C12C11H14160.5°NaN°
H13C11C10H15140.4°180.0°
H13C11C10H1620.9°60.0°
H14C11C10H15101.7°60.1°
H14C11C10H16138.8°180.0°
H15C10C9H17177.7°180.0°
H15C10C9H1863.9°60.0°
H16C10C9H1758.2°60.0°
H16C10C9H18176.6°180.0°
H17C9C8H19168.3°180.0°
H17C9C8H2072.6°60.0°
H18C9C8H1949.9°60.0°
H18C9C8H20169.0°179.9°
H19C8C7H21107.6°180.0°
H19C8C7H22133.1°60.0°
H20C8C7H2111.5°60.0°
H20C8C7H22107.8°180.0°
H21C7C6H2315.2°180.0°
H21C7C6H24102.8°60.0°
H22C7C6H23104.1°60.0°
H22C7C6H24137.9°180.0°
H23C6C5H25123.2°180.0°
H23C6C5H264.0°60.0°
H24C6C5H25118.8°60.0°
H24C6C5H26122.0°179.9°
H25C5C4H27152.1°180.0°
H25C5C4H2833.1°60.0°
H26C5C4H2788.7°59.9°
H26C5C4H28152.3°179.9°
H27C4C3H29135.6°180.0°
H27C4C3H3017.6°60.0°
H28C4C3H29105.4°60.1°
H28C4C3H30136.6°180.0°
H29C3C2H3148.7°179.9°
H29C3C2H3269.9°60.0°
H30C3C2H31166.7°59.9°
H30C3C2H3248.2°180.0°
H31C2C1H3359.2°60.0°
H31C2C1H3460.8°180.0°
H31C2C1H35179.3°60.0°
H32C2C1H3359.3°60.1°
H32C2C1H34179.3°60.0°
H32C2C1H3560.8°180.0°
H33C1H34H35120.0°119.9°

225158

PDB entries from 2024-09-18

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