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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C15sing1.53Å1.53Å
C14C13sing1.53Å1.53Å
C15C16sing1.51Å1.51Å
C13N3sing1.46Å1.52Å
F1C11sing1.40Å1.34Å
F2C11sing1.40Å1.36Å
C16C17doub1.39Å1.39ÅAromatic
C16C21sing1.38Å1.40ÅAromatic
C11C12sing1.53Å1.56Å
C11C10sing1.53Å1.53Å
N3C21sing1.39Å1.48Å
N3C12sing1.47Å1.51Å
C17C18sing1.38Å1.38ÅAromatic
C21C20doub1.40Å1.39ÅAromatic
C10N2sing1.46Å1.44Å
O1C9doub1.22Å1.25Å
C1C2sing1.53Å1.52Å
C18C19doub1.38Å1.38ÅAromatic
C20C19sing1.38Å1.38ÅAromatic
C9N2sing1.35Å1.42Å
C9C8sing1.47Å1.47Å
N4C2sing1.47Å1.45Å
N4C22sing1.39Å1.46Å
C2C3sing1.51Å1.49Å
C8C22doub1.40Å1.40ÅAromatic
C8C7sing1.40Å1.41ÅAromatic
C22C4sing1.39Å1.37ÅAromatic
O2C3doub1.21Å1.23Å
C3N1sing1.35Å1.41Å
N1C4sing1.40Å1.46Å
C4C5doub1.38Å1.39ÅAromatic
C7C6doub1.38Å1.38ÅAromatic
C5C6sing1.39Å1.39ÅAromatic
C14H1sing1.09Å1.10Å
C14H2sing1.09Å1.10Å
C5H3sing1.08Å1.08Å
C6H4sing1.08Å1.08Å
C7H5sing1.08Å1.08Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
N1H12sing0.97Å1.00Å
N2H13sing0.97Å1.00Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
C2H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C17H20sing1.08Å1.08Å
C18H21sing1.08Å1.08Å
C19H22sing1.08Å1.08Å
C20H23sing1.08Å1.08Å
N4H24sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C15C14C13112.0°107.9°
C14C15C16112.3°109.7°
C15C14H1108.8°109.7°
C15C14H2108.8°109.8°
C14C15H18108.7°109.4°
C14C15H19108.7°109.4°
C14C13N3108.8°108.7°
C13C14H1108.8°109.7°
C13C14H2108.8°109.8°
C14C13H10109.6°109.6°
C14C13H11109.7°109.6°
C15C16C17118.7°118.1°
C15C16C21120.8°122.0°
C16C15H18108.7°109.5°
C16C15H19108.8°109.4°
C13N3C21113.0°113.1°
C13N3C12115.7°111.0°
N3C13H10109.6°109.6°
N3C13H11109.6°109.6°
F1C11F2106.8°109.5°
F1C11C12108.1°109.5°
F1C11C10106.6°109.5°
F2C11C12110.8°109.5°
F2C11C10111.3°109.5°
C17C16C21120.6°119.8°
C16C17C18120.8°120.5°
C16C17H20119.6°119.8°
C16C21N3123.2°122.9°
C16C21C20117.9°119.4°
C12C11C10112.9°109.4°
C11C12N3114.1°109.4°
C11C12H8108.3°109.5°
C11C12H9108.3°109.5°
C11C10N2109.0°109.5°
C11C10H6109.6°109.5°
C11C10H7109.6°109.5°
C21N3C12118.8°111.0°
N3C21C20118.7°117.6°
N3C12H8108.3°109.4°
N3C12H9108.3°109.4°
C17C18C19119.1°119.9°
C18C17H20119.6°119.7°
C17C18H21120.5°120.1°
C21C20C19121.4°120.4°
C21C20H23119.3°119.8°
C10N2C9121.2°120.0°
N2C10H6109.6°109.5°
N2C10H7109.6°109.5°
C10N2H13119.4°120.0°
O1C9N2117.9°120.0°
O1C9C8122.4°120.0°
C1C2N4110.6°109.3°
C1C2C3109.8°109.4°
C2C1H14109.5°109.5°
C2C1H15109.5°109.5°
C2C1H16109.5°109.5°
C1C2H17107.6°109.4°
C18C19C20120.2°120.0°
C19C18H21120.4°120.1°
C18C19H22119.9°120.0°
C20C19H22119.9°120.0°
C19C20H23119.3°119.8°
N2C9C8119.7°120.0°
C9N2H13119.4°120.0°
C9C8C22121.3°120.2°
C9C8C7122.4°120.2°
C2N4C22117.3°111.9°
N4C2C3112.1°110.0°
N4C2H17108.5°109.3°
C2N4H24107.5°110.9°
N4C22C8122.0°120.1°
N4C22C4116.2°120.4°
C22N4H24107.5°111.2°
C2C3O2125.8°120.3°
C2C3N1116.5°119.4°
C3C2H17108.1°109.4°
C22C8C7116.2°119.6°
C8C22C4121.7°119.5°
C8C7C6121.4°120.1°
C8C7H5119.3°120.0°
C22C4N1120.1°119.4°
C22C4C5121.7°120.1°
O2C3N1117.7°120.3°
C3N1C4120.9°118.5°
C3N1H12119.5°120.7°
N1C4C5118.0°120.4°
C4N1H12119.6°120.8°
C4C5C6117.7°120.3°
C4C5H3121.2°119.8°
C7C6C5121.2°120.4°
C7C6H4119.4°119.8°
C6C7H5119.3°119.9°
C6C5H3121.2°119.9°
C5C6H4119.4°119.8°
H1C14H2109.5°109.8°
H6C10H7109.4°109.4°
H8C12H9109.5°109.5°
H10C13H11109.5°109.7°
H14C1H15109.5°109.5°
H14C1H16109.4°109.5°
H15C1H16109.5°109.4°
H18C15H19109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C15C14C13H1120.4°119.5°
C15C14C13H2120.4°119.7°
C14C15C16H18120.4°120.1°
C14C15C16H19120.4°120.0°
C15C14C13N362.7°68.2°
C14C15C16C17165.0°164.5°
C14C15C16C2115.9°15.5°
C15C14H1H2118.9°120.9°
C15C14C13H1057.1°51.5°
C15C14C13H11177.4°172.0°
C14C15H18H19118.7°119.9°
C13C14C15C1645.5°47.3°
C14C13N3H10119.9°119.7°
C14C13N3H11119.9°119.8°
C14C13N3C2148.7°53.3°
C14C13N3C12169.5°178.8°
C13C14H1H2118.8°120.8°
C14C13H10H11120.3°120.4°
C13C14C15H18165.9°167.4°
C13C14C15H1974.9°72.8°
C15C16C17C21179.1°180.0°
C15C16C21N33.7°0.5°
C15C16C17C18179.7°179.8°
C15C16C21C20179.1°179.6°
C16C15C14H1165.9°72.2°
C16C15C14H274.8°166.9°
C16C15H18H19118.7°119.9°
C15C16C17H200.4°0.2°
C13N3C21C1620.8°20.0°
C13N3C12C1167.2°75.1°
C13N3C21C12140.5°125.6°
C13N3C21C20163.8°160.1°
N3C13C14H1176.9°51.3°
N3C13C14H257.7°172.1°
C13N3C12H8172.1°44.9°
C13N3C12H953.4°164.9°
N3C13H10H11120.3°120.4°
F1C11F2C12117.5°120.1°
F1C11F2C10116.0°120.0°
F1C11C12C10117.7°120.0°
F1C11C12N390.8°54.3°
F1C11C10N2174.5°60.0°
F1C11C10H654.6°60.0°
F1C11C10H765.5°180.0°
F1C11C12H8148.5°174.2°
F1C11C12H929.8°65.7°
F2C11C12C10125.6°120.0°
F2C11C12N325.8°65.8°
F2C11C10N258.5°60.0°
F2C11C10H661.4°180.0°
F2C11C10H7178.4°60.0°
F2C11C12H894.8°54.2°
F2C11C12H9146.5°174.3°
C17C16C21N3177.2°179.6°
C16C17C18H20180.0°180.0°
C17C16C21C201.8°0.4°
C16C17C18C190.5°0.0°
C17C16C15H1844.6°44.4°
C17C16C15H1974.6°75.4°
C16C17C18H21179.5°179.9°
C16C21N3C20175.3°179.9°
C16C21N3C12161.3°145.5°
C21C16C17C180.5°0.2°
C16C21C20C193.2°0.3°
C21C16C15H18136.3°135.6°
C21C16C15H19104.5°104.6°
C21C16C17H20179.5°179.8°
C16C21C20H23176.9°179.8°
C11C12N3C2172.3°158.2°
C11C12N3H8120.7°120.0°
C11C12N3H9120.7°120.0°
C12C11C10N266.9°180.0°
C12C11C10H6173.2°60.0°
C12C11C10H753.1°60.0°
C11C12H8H9117.9°120.1°
C10C11C12N3151.5°174.3°
C11C10N2H6119.9°120.0°
C11C10N2H7120.0°120.0°
C11C10N2C995.4°180.0°
C11C10H6H7120.2°120.0°
C10C11C12H830.8°65.8°
C10C11C12H987.9°54.3°
C11C10N2H1384.5°0.0°
N3C21C20C19178.8°179.7°
C21N3C12H848.4°81.8°
C21N3C12H9167.1°38.2°
C21N3C13H1071.2°66.4°
C21N3C13H11168.6°173.1°
N3C21C20H231.3°0.3°
C12N3C21C2023.3°34.6°
N3C12H8H9117.9°120.0°
C12N3C13H1070.7°59.1°
C12N3C13H1149.6°61.4°
C17C18C19H21180.0°179.9°
C17C18C19C201.8°0.1°
C17C18C19H22178.2°179.9°
C21C20C19C183.2°0.0°
C21C20C19H23180.0°179.9°
C21C20C19H22176.8°179.9°
C10N2C9O12.0°0.1°
C10N2C9H13180.0°180.0°
C10N2C9C8179.8°180.0°
N2C10H6H7120.2°120.0°
O1C9N2C8178.2°179.9°
O1C9C8C222.2°0.1°
O1C9C8C7179.9°179.8°
O1C9N2H13178.0°179.9°
C1C2N4C3122.9°120.1°
C1C2N4H17117.9°119.7°
C1C2N4C22170.9°69.3°
C1C2C3H17117.1°119.8°
C1C2C3O223.2°94.7°
C1C2C3N1153.7°85.3°
C2C1H14H15120.0°120.0°
C2C1H14H16120.0°120.1°
C2C1H15H16120.0°120.0°
C1C2N4H2468.0°165.9°
C18C19C20H22180.0°179.9°
C19C18C17H20179.5°179.9°
C18C19C20H23176.8°180.0°
C20C19C18H21178.1°179.8°
N2C9C8C22179.6°180.0°
N2C9C8C71.7°0.3°
C9N2C10H624.5°59.9°
C9N2C10H7144.6°60.0°
C9C8C22N40.8°0.8°
C9C8C22C7178.0°179.7°
C9C8C22C4178.8°179.8°
C9C8C7C6179.6°179.8°
C9C8C7H50.5°0.1°
C8C9N2H130.2°0.0°
C2N4C22H24121.1°124.7°
N4C2C3H17119.5°120.1°
C2N4C22C8149.6°144.5°
C2N4C22C432.3°36.2°
N4C2C3O2146.6°145.2°
N4C2C3N130.3°34.8°
N4C2C1H14180.0°60.5°
N4C2C1H1560.0°59.5°
N4C2C1H1660.0°179.4°
C22N4C2C348.1°50.8°
N4C22C8C4178.0°179.3°
N4C22C8C7177.2°179.4°
N4C22C4N11.7°0.9°
N4C22C4C5177.8°179.5°
C22N4C2H1771.2°171.0°
C2C3O2N1176.8°180.0°
C2C3N1C41.4°0.8°
C2C3N1H12178.6°179.2°
C3C2C1H1455.8°60.0°
C3C2C1H1564.2°180.0°
C3C2C1H16175.8°60.1°
C3C2N4H24169.2°74.0°
C8C22C4N1176.3°179.8°
C8C22C4C50.2°0.1°
C22C8C7C62.5°0.1°
C22C8C7H5177.5°179.9°
C8C22N4H2428.5°90.9°
C7C8C22C40.8°0.1°
C8C7C6H5180.0°179.9°
C8C7C6C53.6°0.0°
C8C7C6H4176.4°179.9°
C22C4N1C318.8°17.8°
C22C4N1C5176.2°179.7°
C22C4C5C61.3°0.1°
C22C4C5H3178.7°179.9°
C22C4N1H12161.2°162.2°
C4C22N4H24153.4°88.5°
O2C3N1C4178.5°179.2°
O2C3N1H121.5°0.8°
O2C3C2H1793.9°25.1°
C3N1C4H12180.0°180.0°
C3N1C4C5165.0°161.9°
N1C3C2H1789.2°154.9°
N1C4C5C6177.4°179.8°
N1C4C5H32.6°0.3°
C4C5C6C72.9°0.0°
C4C5C6H3180.0°180.0°
C4C5C6H4177.1°179.9°
C5C4N1H1215.0°18.2°
C7C6C5H4180.0°180.0°
C7C6C5H3177.1°180.0°
C5C6C7H5176.4°179.9°
H1C14C13H1063.3°171.0°
H1C14C13H1157.0°68.5°
H1C14C15H1873.7°47.9°
H1C14C15H1945.5°167.7°
H2C14C13H10177.5°68.2°
H2C14C13H1162.2°52.3°
H2C14C15H1845.6°73.0°
H2C14C15H19164.7°46.8°
H3C5C6H42.9°0.1°
H4C6C7H53.6°0.1°
H6C10N2H13155.5°120.1°
H7C10N2H1335.4°120.0°
H14C1H15H16120.0°119.9°
H14C1C2H1761.6°179.8°
H15C1C2H17178.4°60.2°
H16C1C2H1758.4°59.8°
H17C2N4H2449.9°46.2°
H20C17C18H210.5°0.1°
H21C18C19H221.8°0.1°
H22C19C20H233.2°0.0°

223532

PDB entries from 2024-08-07

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