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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N22C20sing1.39Å1.44Å
C20N21sing1.37Å1.35ÅAromatic
C20N19doub1.31Å1.34ÅAromatic
N21C17sing1.37Å1.36ÅAromatic
N19N18sing1.40Å1.33ÅAromatic
C17N18doub1.31Å1.33ÅAromatic
C17N14sing1.39Å1.39Å
C15N14sing1.47Å1.45Å
C15C16sing1.53Å1.51Å
N14C13sing1.47Å1.45Å
C3C4doub1.38Å1.38ÅAromatic
C3C2sing1.38Å1.43ÅAromatic
C4C5sing1.38Å1.40ÅAromatic
C16C11sing1.53Å1.48Å
BR7C2sing1.89Å1.93Å
C2C1doub1.38Å1.40ÅAromatic
C13C12sing1.53Å1.51Å
C5C8sing1.51Å1.51Å
C5C6doub1.38Å1.43ÅAromatic
C8C9sing1.53Å1.55Å
C11C12sing1.53Å1.49Å
C11N10sing1.47Å1.49Å
C1C6sing1.38Å1.39ÅAromatic
C9N10sing1.47Å1.49Å
N10C23sing1.47Å1.44Å
C23C24sing1.53Å1.53Å
C24C25sing1.53Å1.53Å
C24C26sing1.53Å1.51Å
C3H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
C6H3sing1.08Å1.08Å
C1H4sing1.08Å1.08Å
C8H5sing1.09Å1.10Å
C8H6sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C23H10sing1.09Å1.10Å
C23H11sing1.09Å1.10Å
C24H12sing1.09Å1.10Å
C26H13sing1.09Å1.10Å
C26H14sing1.09Å1.10Å
C26H15sing1.09Å1.10Å
C25H16sing1.09Å1.10Å
C25H17sing1.09Å1.10Å
C25H18sing1.09Å1.10Å
C11H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C16H21sing1.09Å1.10Å
C15H22sing1.09Å1.10Å
C15H23sing1.09Å1.10Å
C13H24sing1.09Å1.10Å
C13H25sing1.09Å1.10Å
C12H26sing1.09Å1.10Å
C12H27sing1.09Å1.10Å
N21H28sing0.97Å1.00Å
N22H29sing0.97Å1.00Å
N22H30sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N22C20N21123.6°126.0°
N22C20N19127.1°126.0°
C20N22H29109.5°120.0°
C20N22H30109.5°120.1°
N21C20N19109.3°108.0°
C20N21C17104.9°107.9°
C20N21H28127.5°126.0°
C20N19N18108.3°108.0°
N21C17N18110.0°108.1°
N21C17N14124.0°125.9°
C17N21H28127.5°126.0°
N19N18C17107.5°108.0°
N18C17N14126.0°126.0°
C17N14C15113.7°110.9°
C17N14C13115.3°111.0°
N14C15C16110.2°109.5°
C15N14C13114.9°111.2°
N14C15H22109.3°109.5°
N14C15H23109.3°109.5°
C15C16C11109.9°109.3°
C15C16H20109.4°109.5°
C15C16H21109.4°109.5°
C16C15H22109.3°109.4°
C16C15H23109.3°109.4°
N14C13C12112.0°109.5°
N14C13H24108.8°109.4°
N14C13H25108.8°109.5°
C4C3C2118.6°120.0°
C3C4C5119.6°120.0°
C4C3H1120.7°120.0°
C3C4H2120.2°120.0°
C3C2BR7117.1°120.0°
C3C2C1122.3°120.0°
C2C3H1120.7°120.0°
C4C5C8119.5°120.0°
C4C5C6121.8°120.0°
C5C4H2120.2°120.0°
C16C11C12110.1°109.2°
C16C11N10111.9°109.5°
C16C11H19107.9°109.6°
C11C16H20109.4°109.5°
C11C16H21109.4°109.5°
BR7C2C1120.7°120.0°
C2C1C6118.9°119.9°
C2C1H4120.5°120.1°
C13C12C11109.8°109.3°
C12C13H24108.8°109.5°
C12C13H25108.8°109.5°
C13C12H26109.4°109.6°
C13C12H27109.4°109.5°
C8C5C6118.7°120.0°
C5C8C9114.0°109.5°
C5C8H5108.3°109.5°
C5C8H6108.3°109.5°
C5C6C1118.8°120.0°
C5C6H3120.6°120.0°
C8C9N10114.0°109.5°
C9C8H5108.3°109.5°
C9C8H6108.3°109.4°
C8C9H7108.3°109.4°
C8C9H8108.3°109.4°
C12C11N10111.2°109.5°
C12C11H19107.9°109.5°
C11C12H26109.4°109.5°
C11C12H27109.4°109.5°
C11N10C9110.9°111.0°
C11N10C23108.8°111.0°
N10C11H19107.8°109.5°
C1C6H3120.6°119.9°
C6C1H4120.5°120.0°
C9N10C23108.4°111.0°
N10C9H7108.3°109.5°
N10C9H8108.3°109.5°
N10C23C24118.3°109.5°
N10C23H10107.2°109.5°
N10C23H11107.2°109.4°
C23C24C25107.7°109.5°
C23C24C26111.6°109.5°
C24C23H10107.2°109.5°
C24C23H11107.2°109.5°
C23C24H12109.0°109.5°
C25C24C26110.1°109.5°
C25C24H12109.1°109.4°
C24C25H16109.5°109.5°
C24C25H17109.5°109.5°
C24C25H18109.5°109.5°
C26C24H12109.3°109.5°
C24C26H13109.5°109.4°
C24C26H14109.5°109.5°
C24C26H15109.5°109.5°
H5C8H6109.5°109.5°
H7C9H8109.5°109.5°
H10C23H11109.5°109.5°
H13C26H14109.4°109.4°
H13C26H15109.5°109.5°
H14C26H15109.5°109.5°
H16C25H17109.5°109.5°
H16C25H18109.4°109.5°
H17C25H18109.5°109.4°
H20C16H21109.5°109.5°
H22C15H23109.5°109.5°
H24C13H25109.5°109.5°
H26C12H27109.4°109.5°
H29N22H30109.4°119.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N22C20N21N19179.1°180.0°
N22C20N21C17179.1°179.9°
N22C20N19N18179.1°179.9°
N22C20N21H281.0°0.0°
C20N22H29H30120.0°180.0°
C20N21C17H28180.0°179.9°
N21C20N19N180.0°0.1°
C20N21C17N180.1°0.0°
C20N21C17N14179.4°179.7°
N21C20N22H29178.9°0.0°
N21C20N22H3061.1°180.0°
N19C20N21C170.0°0.1°
C20N19N18C170.1°0.0°
N19C20N21H28180.0°180.0°
N19C20N22H290.0°180.0°
N19C20N22H30120.0°0.0°
N21C17N18N190.1°0.0°
N21C17N18N14179.5°179.7°
N21C17N14C1554.7°179.7°
N21C17N14C13169.6°55.5°
N19N18C17N14179.4°179.8°
N18C17N14C15125.9°0.0°
N18C17N14C139.8°124.2°
N18C17N21H28179.9°180.0°
C17N14C15C13136.0°124.1°
C17N14C15C16171.3°174.2°
C17N14C13C12173.0°174.2°
C17N14C15H2251.2°65.9°
C17N14C15H2368.6°54.2°
C17N14C13H2466.6°65.8°
C17N14C13H2552.6°54.1°
N14C17N21H280.6°0.2°
N14C15C16H22120.1°120.0°
N14C15C16H23120.1°120.0°
N14C15C16C1156.3°59.2°
C15N14C13C1251.8°61.8°
N14C15C16H2063.8°179.1°
N14C15C16H21176.4°60.8°
N14C15H22H23119.7°120.1°
C15N14C13H2468.6°58.2°
C15N14C13H25172.1°178.2°
C16C15N14C1352.8°61.7°
C15C16C11H20120.1°119.9°
C15C16C11H21120.1°120.0°
C15C16C11C1260.5°57.6°
C15C16C11N10175.4°177.6°
C15C16C11H1957.0°62.3°
C15C16H20H21119.8°120.1°
C16C15H22H23119.7°119.9°
N14C13C12H24120.4°120.0°
N14C13C12H25120.4°120.1°
N14C13C12C1153.2°59.2°
C13N14C15H22172.9°58.2°
C13N14C15H2367.3°178.3°
N14C13H24H25118.8°120.0°
N14C13C12H26173.2°60.8°
N14C13C12H2766.9°179.1°
C4C3C2H1180.0°179.9°
C3C4C5H2180.0°180.0°
C4C3C2BR7179.9°180.0°
C4C3C2C10.8°0.3°
C3C4C5C8179.7°180.0°
C3C4C5C60.1°0.0°
C2C3C4C50.3°0.0°
C3C2BR7C1179.1°179.7°
C3C2C1C60.9°0.6°
C2C3C4H2179.7°180.0°
C3C2C1H4179.1°179.7°
C4C5C8C6179.6°180.0°
C4C5C8C964.2°90.0°
C4C5C6C10.1°0.2°
C5C4C3H1179.7°180.0°
C4C5C6H3180.0°180.0°
C4C5C8H5175.1°150.0°
C4C5C8H656.5°30.0°
C16C11C12C1358.4°57.7°
C16C11C12N10124.5°119.9°
C16C11C12H19117.5°120.0°
C16C11N10H19118.5°120.2°
C16C11N10C954.6°53.7°
C16C11N10C23173.7°70.3°
C11C16H20H21119.8°120.1°
C11C16C15H22176.4°60.8°
C11C16C15H2363.8°179.2°
C16C11C12H26178.4°62.3°
C16C11C12H2761.7°177.6°
BR7C2C1C6180.0°179.7°
BR7C2C3H10.1°0.0°
BR7C2C1H40.0°0.0°
C2C1C6C50.5°0.5°
C2C1C6H4180.0°179.7°
C1C2C3H1179.2°179.7°
C2C1C6H3179.5°179.7°
C13C12C11H26120.0°120.0°
C13C12C11H27120.1°120.0°
C13C12C11N10177.1°177.6°
C13C12C11H1959.1°62.3°
C12C13H24H25118.9°120.0°
C13C12H26H27119.9°120.1°
C5C8C9H5120.7°120.0°
C5C8C9H6120.6°120.0°
C8C5C6C1179.7°179.8°
C5C8C9N10165.6°180.0°
C8C5C4H20.3°0.0°
C8C5C6H30.4°0.0°
C5C8H5H6117.9°120.0°
C5C8C9H773.8°60.0°
C5C8C9H844.9°60.0°
C6C5C8C9115.4°90.0°
C5C6C1H3180.0°179.8°
C6C5C4H2179.9°180.0°
C5C6C1H4179.5°179.7°
C6C5C8H55.3°30.0°
C6C5C8H6123.9°150.0°
C8C9N10C1157.1°170.0°
C8C9N10H7120.7°119.9°
C8C9N10H8120.7°120.0°
C8C9N10C2362.3°66.0°
C9C8H5H6118.0°120.0°
C8C9H7H8117.9°120.0°
C12C11N10H19118.0°120.1°
C12C11N10C9178.1°66.0°
C12C11N10C2362.8°170.0°
C12C11C16H2059.6°177.6°
C12C11C16H21179.5°62.3°
C11C12C13H2467.2°60.8°
C11C12C13H25173.5°179.2°
C11C12H26H27119.9°120.0°
C11N10C9C23119.3°124.0°
C11N10C23C24179.1°66.0°
C11N10C9H763.6°70.1°
C11N10C9H8177.8°50.0°
C11N10C23H1057.9°174.0°
C11N10C23H1159.6°54.0°
N10C11C16H2064.5°62.5°
N10C11C16H2155.4°57.6°
N10C11C12H2657.1°57.6°
N10C11C12H2762.8°62.5°
C9N10C23C2458.5°170.0°
N10C9C8H544.9°60.0°
N10C9C8H673.8°60.0°
N10C9H7H8117.9°120.1°
C9N10C23H1062.8°50.0°
C9N10C23H11179.7°70.0°
C9N10C11H1963.9°173.9°
N10C23C24H10121.3°120.0°
N10C23C24H11121.2°120.0°
N10C23C24C2568.5°175.0°
N10C23C24C26170.5°65.0°
C23N10C9H7177.1°53.9°
C23N10C9H858.4°174.0°
N10C23H10H11116.0°120.0°
N10C23C24H1249.6°55.0°
C23N10C11H1955.2°49.9°
C23C24C25C26121.9°120.0°
C23C24C25H12118.1°120.1°
C23C24C26H12120.7°120.1°
C24C23H10H11116.0°120.0°
C23C24C26H13180.0°60.0°
C23C24C26H1460.0°179.9°
C23C24C26H1560.0°60.0°
C23C24C25H16180.0°60.0°
C23C24C25H1760.0°179.9°
C23C24C25H1860.0°60.0°
C25C24C26H12119.8°120.0°
C25C24C23H10170.2°65.0°
C25C24C23H1152.7°55.0°
C25C24C26H1360.5°60.0°
C25C24C26H14179.5°60.0°
C25C24C26H1559.5°180.0°
C24C25H16H17120.0°120.0°
C24C25H16H18120.0°120.0°
C24C25H17H18120.0°120.0°
C26C24C23H1049.3°55.0°
C26C24C23H1168.2°175.0°
C24C26H13H14120.0°120.0°
C24C26H13H15120.0°120.0°
C24C26H14H15120.0°120.1°
C26C24C25H1658.1°180.0°
C26C24C25H1761.9°59.9°
C26C24C25H18178.1°60.0°
H1C3C4H20.3°0.0°
H3C6C1H40.5°0.0°
H5C8C9H7165.6°180.0°
H5C8C9H875.8°60.0°
H6C8C9H746.9°60.0°
H6C8C9H8165.5°180.0°
H10C23C24H1271.6°175.0°
H11C23C24H12170.9°65.0°
H12C24C26H1359.3°179.9°
H12C24C26H1460.7°60.0°
H12C24C26H15179.3°60.1°
H12C24C25H1661.8°60.0°
H12C24C25H17178.1°60.0°
H12C24C25H1858.1°180.0°
H13C26H14H15120.0°120.0°
H16C25H17H18120.0°120.0°
H19C11C16H20177.1°57.7°
H19C11C16H2163.0°177.7°
H19C11C12H2660.9°177.7°
H19C11C12H27179.2°57.6°
H20C16C15H2256.3°59.1°
H20C16C15H23176.1°60.8°
H21C16C15H2263.5°179.2°
H21C16C15H2356.3°59.2°
H24C13C12H2652.9°179.2°
H24C13C12H27172.7°59.1°
H25C13C12H2666.4°59.2°
H25C13C12H2753.4°60.9°

222624

PDB entries from 2024-07-17

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