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VQP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C29C28sing1.53Å1.52Å
C31C28sing1.53Å1.52Å
C30C28sing1.53Å1.52Å
C28C27sing1.53Å1.52Å
C27C26sing1.53Å1.53Å
C26N25sing1.46Å1.47Å
N25C23sing1.35Å1.36Å
O24C23doub1.22Å1.23Å
C23N22sing1.35Å1.36Å
N22C5sing1.40Å1.41Å
C5C6doub1.39Å1.39ÅAromatic
C5C4sing1.39Å1.38ÅAromatic
C6C7sing1.39Å1.40ÅAromatic
F32C4sing1.35Å1.34Å
C4C3doub1.38Å1.37ÅAromatic
C7N8sing1.40Å1.40Å
C7C2doub1.39Å1.40ÅAromatic
N8C9sing1.40Å1.40Å
C9C10doub1.39Å1.39ÅAromatic
C9C14sing1.39Å1.39ÅAromatic
C10C11sing1.38Å1.38ÅAromatic
F15C14sing1.35Å1.36Å
C3C2sing1.38Å1.37ÅAromatic
C14C13doub1.39Å1.40ÅAromatic
C2C1sing1.51Å1.51Å
C11C12doub1.40Å1.40ÅAromatic
C13C12sing1.41Å1.41ÅAromatic
C13C16sing1.47Å1.47Å
C12N20sing1.36Å1.36Å
O17C16doub1.22Å1.21Å
C16N18sing1.35Å1.36Å
N20C19doub1.30Å1.30Å
N18C19sing1.36Å1.36Å
N18C21sing1.47Å1.47Å
C6H1sing1.08Å1.08Å
C10H2sing1.08Å1.08Å
C21H3sing1.09Å1.10Å
C21H4sing1.09Å1.10Å
C21H5sing1.09Å1.10Å
C26H6sing1.09Å1.10Å
C26H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
C1H10sing1.09Å1.10Å
C11H11sing1.08Å1.08Å
C19H12sing1.08Å1.08Å
C27H13sing1.09Å1.10Å
C27H14sing1.09Å1.10Å
C29H15sing1.09Å1.10Å
C29H16sing1.09Å1.10Å
C29H17sing1.09Å1.10Å
C3H18sing1.08Å1.08Å
C30H19sing1.09Å1.10Å
C30H20sing1.09Å1.10Å
C30H21sing1.09Å1.10Å
C31H22sing1.09Å1.10Å
C31H23sing1.09Å1.10Å
C31H24sing1.09Å1.10Å
N22H25sing0.97Å1.00Å
N25H26sing0.97Å1.00Å
N8H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C29C28C31107.6°109.5°
C29C28C30109.8°109.5°
C29C28C27110.0°109.4°
C28C29H15109.5°109.5°
C28C29H16109.4°109.5°
C28C29H17109.5°109.5°
C31C28C30109.5°109.5°
C31C28C27111.0°109.5°
C28C31H22109.5°109.5°
C28C31H23109.5°109.5°
C28C31H24109.5°109.4°
C30C28C27109.0°109.5°
C28C30H19109.5°109.4°
C28C30H20109.5°109.4°
C28C30H21109.5°109.5°
C28C27C26110.0°109.5°
C28C27H13109.3°109.4°
C28C27H14109.4°109.5°
C27C26N25106.8°109.5°
C27C26H6110.1°109.4°
C27C26H7110.1°109.5°
C26C27H13109.4°109.5°
C26C27H14109.4°109.5°
C26N25C23119.4°120.0°
N25C26H6110.1°109.5°
N25C26H7110.1°109.5°
C26N25H26120.3°120.0°
N25C23O24119.2°120.0°
N25C23N22118.4°120.0°
C23N25H26120.3°120.0°
O24C23N22122.4°120.0°
C23N22C5125.8°120.1°
C23N22H25117.1°120.0°
N22C5C6127.5°120.0°
N22C5C4113.7°120.1°
C5N22H25117.1°119.9°
C6C5C4118.8°119.9°
C5C6C7119.5°119.8°
C5C6H1120.3°120.1°
C5C4F32117.9°120.0°
C5C4C3122.4°120.0°
C6C7N8118.6°120.0°
C6C7C2120.0°120.0°
C7C6H1120.3°120.1°
F32C4C3119.7°120.0°
C4C3C2119.4°120.1°
C4C3H18120.3°119.9°
N8C7C2121.4°120.0°
C7N8C9127.7°119.9°
C7N8H27116.1°120.1°
C7C2C3119.9°120.1°
C7C2C1122.9°120.0°
N8C9C10123.4°119.9°
N8C9C14116.5°119.8°
C9N8H27116.2°120.0°
C10C9C14120.1°120.4°
C9C10C11120.1°120.8°
C9C10H2119.9°119.6°
C9C14F15119.2°120.3°
C9C14C13120.2°119.4°
C10C11C12120.8°119.9°
C11C10H2119.9°119.6°
C10C11H11119.6°120.1°
F15C14C13120.5°120.3°
C3C2C1117.2°119.9°
C2C3H18120.3°120.0°
C14C13C12119.9°120.1°
C14C13C16122.2°121.9°
C2C1H8109.5°109.5°
C2C1H9109.5°109.5°
C2C1H10109.5°109.4°
C11C12C13118.9°119.5°
C11C12N20122.5°121.6°
C12C11H11119.6°120.1°
C12C13C16117.9°118.0°
C13C12N20118.6°119.0°
C13C16O17120.8°121.3°
C13C16N18118.2°117.4°
C12N20C19122.2°121.7°
O17C16N18121.0°121.3°
C16N18C19119.8°120.6°
C16N18C21119.8°119.7°
N20C19N18123.3°123.3°
N20C19H12118.4°118.4°
C19N18C21120.4°119.7°
N18C19H12118.3°118.3°
N18C21H3109.5°109.5°
N18C21H4109.5°109.5°
N18C21H5109.5°109.5°
H3C21H4109.4°109.5°
H3C21H5109.5°109.5°
H4C21H5109.4°109.4°
H6C26H7109.5°109.5°
H8C1H9109.5°109.5°
H8C1H10109.5°109.5°
H9C1H10109.5°109.5°
H13C27H14109.4°109.5°
H15C29H16109.5°109.4°
H15C29H17109.5°109.5°
H16C29H17109.5°109.5°
H19C30H20109.5°109.5°
H19C30H21109.4°109.5°
H20C30H21109.5°109.6°
H22C31H23109.5°109.5°
H22C31H24109.5°109.5°
H23C31H24109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C29C28C31C30119.3°120.0°
C29C28C31C27120.3°120.0°
C29C28C30C27120.5°120.0°
C29C28C27C2667.5°60.0°
C29C28C27H1352.6°60.0°
C29C28C27H14172.5°179.9°
C28C29H15H16120.0°120.0°
C28C29H15H17120.0°120.0°
C28C29H16H17120.0°120.0°
C29C28C30H19180.0°180.0°
C29C28C30H2060.0°60.1°
C29C28C30H2160.0°60.0°
C29C28C31H22180.0°60.0°
C29C28C31H2360.0°60.1°
C29C28C31H2460.0°180.0°
C31C28C30C27121.6°120.0°
C31C28C27C26173.6°60.0°
C31C28C27H1366.3°180.0°
C31C28C27H1453.5°60.0°
C31C28C29H15180.0°180.0°
C31C28C29H1660.0°60.0°
C31C28C29H1760.0°60.0°
C31C28C30H1962.1°60.0°
C31C28C30H2057.9°60.0°
C31C28C30H21177.9°180.0°
C28C31H22H23120.0°120.1°
C28C31H22H24120.0°120.0°
C28C31H23H24120.0°120.0°
C30C28C27C2652.9°180.0°
C30C28C27H13173.0°60.0°
C30C28C27H1467.2°60.0°
C30C28C29H1560.9°60.0°
C30C28C29H1659.1°60.0°
C30C28C29H17179.1°180.0°
C28C30H19H20120.0°120.0°
C28C30H19H21120.0°120.0°
C28C30H20H21120.0°120.0°
C30C28C31H2260.7°180.0°
C30C28C31H23179.2°60.0°
C30C28C31H2459.3°60.0°
C28C27C26H13120.1°120.0°
C28C27C26H14120.1°120.0°
C28C27C26N25167.7°180.0°
C28C27C26H672.7°60.0°
C28C27C26H748.1°60.0°
C28C27H13H14119.8°119.9°
C27C28C29H1559.0°60.0°
C27C28C29H16179.0°180.0°
C27C28C29H1761.0°60.0°
C27C28C30H1959.5°60.0°
C27C28C30H20179.5°180.0°
C27C28C30H2160.5°59.9°
C27C28C31H2259.7°60.0°
C27C28C31H2360.4°180.0°
C27C28C31H24179.7°60.0°
C27C26N25H6119.6°119.9°
C27C26N25H7119.6°120.0°
C27C26N25C23114.6°179.9°
C27C26H6H7121.2°120.0°
C26C27H13H14119.8°120.0°
C27C26N25H2665.4°0.1°
C26N25C23H26180.0°179.9°
C26N25C23O243.5°0.1°
C26N25C23N22177.3°180.0°
N25C26H6H7121.2°120.0°
N25C26C27H1347.6°60.0°
N25C26C27H1472.2°60.0°
N25C23O24N22179.2°179.9°
N25C23N22C5176.2°174.3°
C23N25C26H65.0°60.0°
C23N25C26H7125.8°60.0°
N25C23N22H253.8°5.8°
O24C23N22C54.6°5.6°
O24C23N22H25175.5°174.3°
O24C23N25H26176.6°180.0°
C23N22C5H25180.0°179.9°
C23N22C5C645.6°24.8°
C23N22C5C4133.0°155.2°
N22C23N25H262.7°0.1°
N22C5C6C4178.6°180.0°
N22C5C6C7179.2°180.0°
N22C5C4F321.2°0.2°
N22C5C4C3179.9°180.0°
N22C5C6H10.8°0.0°
C5C6C7H1180.0°180.0°
C6C5C4F32179.9°179.7°
C6C5C4C31.1°0.0°
C5C6C7N8178.5°180.0°
C5C6C7C20.4°0.0°
C6C5N22H25134.4°155.3°
C4C5C6C70.6°0.0°
C5C4F32C3179.0°179.8°
C5C4C3C20.5°0.1°
C4C5C6H1179.4°180.0°
C5C4C3H18179.5°180.0°
C4C5N22H2547.0°24.7°
C6C7N8C2178.0°180.0°
C6C7N8C9117.3°104.7°
C6C7C2C31.1°0.0°
C6C7C2C1179.5°180.0°
C6C7N8H2762.7°75.3°
F32C4C3C2179.4°179.7°
F32C4C3H180.6°0.2°
C4C3C2C70.6°0.0°
C4C3C2H18180.0°179.9°
C4C3C2C1179.9°180.0°
C7N8C9H27180.0°180.0°
C7N8C9C107.2°4.8°
C7N8C9C14173.0°175.2°
N8C7C2C3179.1°180.0°
N8C7C2C11.5°0.0°
N8C7C6H11.5°0.0°
C2C7N8C964.7°75.3°
C7C2C3C1179.5°180.0°
C2C7C6H1179.5°180.0°
C7C2C1H890.3°90.0°
C7C2C1H9149.7°150.0°
C7C2C1H1029.7°30.0°
C7C2C3H18179.4°180.0°
C2C7N8H27115.3°104.6°
N8C9C10C14179.8°180.0°
N8C9C10C11179.7°180.0°
N8C9C14F150.3°0.2°
N8C9C14C13179.6°179.5°
N8C9C10H20.3°0.3°
C9C10C11H2180.0°179.7°
C10C9C14F15179.9°179.7°
C10C9C14C130.6°0.5°
C9C10C11C120.3°0.3°
C9C10C11H11179.7°179.7°
C10C9N8H27172.8°175.2°
C14C9C10C110.5°0.0°
C9C14F15C13179.3°179.2°
C9C14C13C120.6°0.8°
C9C14C13C16179.7°179.7°
C14C9C10H2179.5°179.7°
C14C9N8H277.0°4.8°
C10C11C12H11180.0°180.0°
C10C11C12C130.3°0.0°
C10C11C12N20179.3°179.9°
F15C14C13C12179.9°180.0°
F15C14C13C160.5°0.5°
C3C2C1H890.2°90.0°
C3C2C1H929.8°30.0°
C3C2C1H10149.8°150.0°
C14C13C12C110.4°0.6°
C14C13C12C16179.7°179.5°
C14C13C12N20179.5°179.5°
C14C13C16O171.0°0.4°
C14C13C16N18178.8°179.5°
C2C1H8H9120.0°120.0°
C2C1H8H10120.0°119.9°
C2C1H9H10120.0°120.0°
C1C2C3H180.1°0.0°
C11C12C13N20179.1°179.9°
C11C12C13C16179.9°179.9°
C11C12N20C19178.3°179.9°
C12C11C10H2179.7°180.0°
C12C13C16O17178.7°179.9°
C12C13C16N181.5°0.0°
C13C12N20C190.8°0.0°
C13C12C11H11179.7°180.0°
C16C13C12N200.8°0.0°
C13C16O17N18179.8°179.9°
C13C16N18C190.7°0.1°
C13C16N18C21179.6°180.0°
C12N20C19N181.7°0.0°
N20C12C11H110.7°0.1°
C12N20C19H12178.3°179.9°
O17C16N18C19179.5°180.0°
O17C16N18C210.6°0.1°
C16N18C19N200.9°0.1°
C16N18C19C21178.8°179.9°
C16N18C21H3180.0°90.0°
C16N18C21H460.0°150.0°
C16N18C21H560.0°30.1°
C16N18C19H12179.1°180.0°
N20C19N18H12180.0°179.8°
N20C19N18C21178.0°180.0°
C19N18C21H31.1°89.9°
C19N18C21H4118.9°30.1°
C19N18C21H5121.2°150.0°
N18C21H3H4120.0°120.0°
N18C21H3H5120.1°120.0°
N18C21H4H5120.0°120.0°
C21N18C19H122.1°0.1°
H2C10C11H110.3°0.0°
H3C21H4H5120.0°120.0°
H6C26C27H13167.2°60.0°
H6C26C27H1447.4°180.0°
H6C26N25H26175.0°119.9°
H7C26C27H1371.9°180.0°
H7C26C27H14168.2°60.0°
H7C26N25H2654.2°120.1°
H8C1H9H10120.0°120.0°
H15C29H16H17120.0°120.0°
H19C30H20H21119.9°120.0°
H22C31H23H24120.0°120.0°

225946

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