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S88

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C5C6doub1.39Å1.41ÅAromatic
C5C4sing1.36Å1.36ÅAromatic
C6C1sing1.36Å1.41ÅAromatic
C4C3doub1.41Å1.45ÅAromatic
C1C2doub1.41Å1.41ÅAromatic
C3C2sing1.42Å1.39ÅAromatic
C3C7sing1.41Å1.44ÅAromatic
C2C10sing1.40Å1.49ÅAromatic
C7C8doub1.36Å1.44ÅAromatic
C10C11sing1.51Å1.54Å
C10C9doub1.36Å1.40ÅAromatic
C11C12sing1.53Å1.53Å
C11N13sing1.47Å1.52Å
C8C9sing1.39Å1.43ÅAromatic
N13C14sing1.47Å1.49Å
N13C18sing1.47Å1.50Å
C14C15sing1.53Å1.52Å
C18C17sing1.53Å1.53Å
C16C17sing1.53Å1.49Å
C16C15sing1.53Å1.47Å
C16C19sing1.51Å1.54Å
N21C19sing1.35Å1.39Å
N21C22sing1.46Å1.44Å
C19O20doub1.21Å1.22Å
F29C27sing1.35Å1.32Å
C27C28doub1.39Å1.42ÅAromatic
C27C26sing1.39Å1.38ÅAromatic
C28C23sing1.38Å1.41ÅAromatic
C26C25doub1.38Å1.43ÅAromatic
C23C22sing1.51Å1.55Å
C23C24doub1.38Å1.39ÅAromatic
C25C24sing1.38Å1.43ÅAromatic
C26H1sing1.08Å1.08Å
C25H2sing1.08Å1.08Å
C24H3sing1.08Å1.08Å
C28H4sing1.08Å1.08Å
C22H5sing1.09Å1.10Å
C22H6sing1.09Å1.10Å
N21H7sing0.97Å1.00Å
C16H8sing1.09Å1.10Å
C15H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C17H17sing1.09Å1.10Å
C11H18sing1.09Å1.10Å
C12H19sing1.09Å1.10Å
C12H20sing1.09Å1.10Å
C12H21sing1.09Å1.10Å
C1H22sing1.08Å1.08Å
C6H23sing1.08Å1.08Å
C5H24sing1.08Å1.08Å
C4H25sing1.08Å1.08Å
C7H26sing1.08Å1.08Å
C8H27sing1.08Å1.08Å
C9H28sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C6C5C4122.5°121.0°
C5C6C1119.0°121.0°
C5C6H23120.5°119.5°
C6C5H24118.7°119.5°
C5C4C3118.4°119.7°
C4C5H24118.8°119.5°
C5C4H25120.8°120.2°
C6C1C2119.5°119.6°
C6C1H22120.2°120.2°
C1C6H23120.5°119.5°
C4C3C2120.2°119.3°
C4C3C7119.3°121.3°
C3C4H25120.8°120.1°
C1C2C3120.4°119.3°
C1C2C10120.3°121.3°
C2C1H22120.3°120.2°
C2C3C7120.5°119.3°
C3C2C10119.3°119.4°
C3C7C8120.3°119.7°
C3C7H26119.9°120.1°
C2C10C11121.0°120.2°
C2C10C9120.1°119.7°
C7C8C9119.6°121.0°
C8C7H26119.9°120.2°
C7C8H27120.2°119.5°
C11C10C9118.8°120.1°
C10C11C12109.3°109.4°
C10C11N13109.8°109.5°
C10C11H18108.0°109.4°
C10C9C8120.2°121.0°
C10C9H28119.9°119.5°
C12C11N13113.2°109.5°
C12C11H18108.1°109.5°
C11C12H19109.5°109.5°
C11C12H20109.5°109.5°
C11C12H21109.5°109.5°
C11N13C14116.0°111.0°
C11N13C18117.8°111.0°
N13C11H18108.2°109.5°
C9C8H27120.2°119.5°
C8C9H28119.9°119.5°
C14N13C18113.8°111.3°
N13C14C15118.2°109.5°
N13C14H11107.3°109.5°
N13C14H12107.3°109.5°
N13C18C17116.4°109.5°
N13C18H14107.7°109.5°
N13C18H15107.7°109.5°
C14C15C16109.2°109.3°
C14C15H9109.6°109.5°
C14C15H10109.6°109.5°
C15C14H11107.2°109.5°
C15C14H12107.3°109.4°
C18C17C16112.3°109.3°
C17C18H14107.7°109.5°
C17C18H15107.7°109.4°
C18C17H16108.7°109.5°
C18C17H17108.8°109.4°
C17C16C15107.9°109.2°
C17C16C19107.6°109.5°
C17C16H8111.1°109.5°
C16C17H16108.8°109.6°
C16C17H17108.7°109.5°
C15C16C19108.3°109.5°
C15C16H8111.4°109.6°
C16C15H9109.5°109.5°
C16C15H10109.5°109.5°
C16C19N21118.6°120.0°
C16C19O20121.3°120.0°
C19C16H8110.4°109.6°
C19N21C22119.3°120.0°
N21C19O20120.1°120.0°
C19N21H7120.3°120.0°
N21C22C23113.5°109.5°
N21C22H5108.5°109.5°
N21C22H6108.5°109.5°
C22N21H7120.4°120.0°
F29C27C28120.2°120.1°
F29C27C26119.7°120.1°
C28C27C26120.1°119.9°
C27C28C23120.4°120.0°
C27C28H4119.8°120.0°
C27C26C25119.6°120.0°
C27C26H1120.2°120.0°
C28C23C22118.9°120.0°
C28C23C24120.7°120.0°
C23C28H4119.8°120.0°
C26C25C24120.7°120.0°
C25C26H1120.2°120.1°
C26C25H2119.6°120.0°
C22C23C24120.4°120.0°
C23C22H5108.4°109.5°
C23C22H6108.4°109.5°
C23C24C25118.5°120.0°
C23C24H3120.7°120.0°
C24C25H2119.6°120.0°
C25C24H3120.8°120.0°
H5C22H6109.5°109.5°
H9C15H10109.5°109.5°
H11C14H12109.5°109.5°
H14C18H15109.4°109.4°
H16C17H17109.5°109.5°
H19C12H20109.5°109.4°
H19C12H21109.5°109.5°
H20C12H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C6C5C4H24180.0°179.9°
C5C6C1H23180.0°179.9°
C6C5C4C30.9°0.1°
C5C6C1C20.8°0.1°
C5C6C1H22179.2°180.0°
C6C5C4H25179.1°180.0°
C4C5C6C11.1°0.1°
C5C4C3H25180.0°180.0°
C5C4C3C20.5°0.0°
C5C4C3C7179.5°180.0°
C4C5C6H23178.9°179.9°
C6C1C2H22180.0°180.0°
C6C1C2C30.4°0.0°
C6C1C2C10179.0°179.9°
C1C6C5H24178.9°180.0°
C4C3C2C10.2°0.0°
C4C3C2C7180.0°179.9°
C4C3C2C10179.1°180.0°
C4C3C7C8179.2°179.9°
C3C4C5H24179.1°180.0°
C4C3C7H260.8°0.1°
C1C2C3C10179.3°180.0°
C1C2C3C7179.8°179.9°
C1C2C10C111.9°0.0°
C1C2C10C9179.1°179.7°
C2C1C6H23179.2°179.9°
C2C3C7C80.8°0.0°
C3C2C10C11178.7°180.0°
C3C2C10C91.5°0.3°
C3C2C1H22179.6°180.0°
C2C3C4H25179.5°180.0°
C2C3C7H26179.2°180.0°
C7C3C2C100.9°0.0°
C3C7C8H26180.0°180.0°
C3C7C8C91.4°0.3°
C7C3C4H250.5°0.0°
C3C7C8H27178.6°180.0°
C2C10C11C9177.3°179.7°
C2C10C11C12135.3°85.2°
C2C10C11N1399.9°154.7°
C2C10C9C82.1°0.5°
C2C10C11H1817.9°34.7°
C10C2C1H221.0°0.0°
C2C10C9H28177.9°179.8°
C7C8C9C102.0°0.5°
C7C8C9H27180.0°179.8°
C7C8C9H28178.0°179.8°
C10C11C12N13122.7°120.0°
C10C11C12H18117.3°119.9°
C10C11N13H18117.6°120.0°
C11C10C9C8179.4°179.8°
C10C11N13C14176.9°180.0°
C10C11N13C1837.1°55.7°
C10C11C12H19180.0°60.1°
C10C11C12H2060.0°180.0°
C10C11C12H2160.0°60.0°
C11C10C9H280.6°0.1°
C9C10C11C1247.4°95.0°
C9C10C11N1377.4°25.0°
C10C9C8H28180.0°179.7°
C9C10C11H18164.8°145.0°
C10C9C8H27178.0°179.7°
C12C11N13H18119.9°120.0°
C12C11N13C1460.6°60.0°
C12C11N13C18159.5°175.7°
C11C12H19H20120.0°120.0°
C11C12H19H21120.0°120.1°
C11C12H20H21120.0°120.0°
C11N13C14C18141.4°124.1°
C11N13C14C15173.4°174.1°
C11N13C18C17168.9°174.2°
C11N13C14H1152.2°54.1°
C11N13C14H1265.3°65.9°
C11N13C18H1470.1°54.1°
C11N13C18H1547.9°65.9°
N13C11C12H1957.3°60.0°
N13C11C12H20177.3°60.0°
N13C11C12H2162.7°180.0°
C9C8C7H26178.7°179.7°
N13C14C15H11121.2°120.1°
N13C14C15H12121.3°120.0°
C14N13C18C1728.2°61.7°
N13C14C15C1650.7°59.2°
N13C14C15H9170.6°60.8°
N13C14C15H1069.3°179.1°
N13C14H11H12116.1°120.0°
C14N13C18H14149.2°178.2°
C14N13C18H1592.8°58.2°
C14N13C11H1859.3°60.0°
C18N13C14C1532.0°61.7°
N13C18C17H14121.0°120.1°
N13C18C17H15121.0°120.0°
N13C18C17C1644.3°59.1°
C18N13C14H1189.2°178.2°
C18N13C14H12153.3°58.2°
N13C18H14H15116.8°120.0°
N13C18C17H1676.1°179.1°
N13C18C17H17164.7°60.8°
C18N13C11H1880.6°64.2°
C14C15C16C1763.6°57.7°
C14C15C16H9119.9°119.9°
C14C15C16H10120.0°120.0°
C14C15C16C19179.8°177.6°
C14C15C16H858.7°62.2°
C14C15H9H10120.2°120.1°
C15C14H11H12116.0°119.9°
C18C17C16H16120.4°119.9°
C18C17C16H17120.4°119.9°
C18C17C16C1561.9°57.7°
C18C17C16C19178.6°177.6°
C18C17C16H860.5°62.3°
C17C18H14H15116.8°119.9°
C18C17H16H17118.7°120.0°
C17C16C15C19116.2°119.9°
C17C16C15H8122.3°119.9°
C17C16C19H8121.4°120.1°
C17C16C19N2194.8°180.0°
C17C16C19O2085.8°0.1°
C17C16C15H9176.5°62.3°
C17C16C15H1056.4°177.6°
C16C17C18H14165.3°179.2°
C16C17C18H1576.7°60.9°
C16C17H16H17118.7°120.2°
C15C16C19H8122.1°120.2°
C15C16C19N21148.8°60.3°
C15C16C19O2030.6°119.7°
C16C15H9H10120.1°120.1°
C16C15C14H1170.6°179.2°
C16C15C14H12171.9°60.8°
C15C16C17H1658.5°177.6°
C15C16C17H17177.6°62.2°
C16C19N21O20179.4°179.9°
C16C19N21C22179.5°180.0°
C16C19N21H70.5°0.1°
C19C16C15H960.3°57.6°
C19C16C15H1059.8°62.5°
C19C16C17H1658.2°62.5°
C19C16C17H1761.0°57.7°
C19N21C22H7180.0°180.0°
C19N21C22C23138.4°180.0°
C19N21C22H5101.0°60.0°
C19N21C22H617.8°60.0°
N21C19C16H826.6°59.9°
C22N21C19O201.2°0.0°
N21C22C23C2840.1°90.0°
N21C22C23H5120.6°120.0°
N21C22C23H6120.6°120.0°
N21C22C23C24139.5°90.6°
N21C22H5H6118.2°120.0°
O20C19N21H7178.9°180.0°
O20C19C16H8152.7°120.2°
F29C27C28C26179.6°179.8°
F29C27C28C23179.2°179.7°
F29C27C26C25179.6°180.0°
F29C27C26H10.4°0.0°
F29C27C28H40.8°0.1°
C27C28C23H4180.0°179.8°
C28C27C26C250.0°0.2°
C27C28C23C22179.6°180.0°
C27C28C23C240.8°0.6°
C28C27C26H1180.0°179.7°
C26C27C28C230.4°0.5°
C27C26C25H1180.0°180.0°
C27C26C25C240.1°0.0°
C27C26C25H2179.9°180.0°
C26C27C28H4179.6°179.7°
C28C23C22C24179.6°179.4°
C28C23C24C250.7°0.4°
C28C23C24H3179.3°179.7°
C28C23C22H5160.7°150.0°
C28C23C22H680.5°30.0°
C26C25C24C230.3°0.0°
C26C25C24H2180.0°180.0°
C26C25C24H3179.7°179.9°
C22C23C24C25179.7°179.8°
C22C23C24H30.3°0.4°
C22C23C28H40.4°0.3°
C23C22H5H6118.1°120.0°
C23C22N21H741.5°0.0°
C23C24C25H3180.0°179.9°
C23C24C25H2179.7°179.9°
C24C23C28H4179.2°179.6°
C24C23C22H518.9°29.4°
C24C23C22H699.9°149.4°
C24C25C26H1179.9°180.0°
H1C26C25H20.1°0.0°
H2C25C24H30.3°0.0°
H5C22N21H779.0°120.0°
H6C22N21H7162.1°120.0°
H8C16C15H961.3°177.8°
H8C16C15H10178.6°57.7°
H8C16C17H16179.1°57.7°
H8C16C17H1760.0°177.8°
H9C15C14H1149.3°59.3°
H9C15C14H1268.2°179.3°
H10C15C14H11169.5°60.8°
H10C15C14H1252.0°59.2°
H14C18C17H1644.9°60.8°
H14C18C17H1774.3°59.3°
H15C18C17H16162.8°59.1°
H15C18C17H1743.7°179.2°
H18C11C12H1962.7°180.0°
H18C11C12H2057.3°60.1°
H18C11C12H21177.3°59.9°
H19C12H20H21120.0°120.0°
H22C1C6H230.8°0.1°
H23C6C5H241.1°0.1°
H24C5C4H251.0°0.0°
H26C7C8H271.3°0.0°
H27C8C9H282.0°0.0°

223166

PDB entries from 2024-07-31

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