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WX0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CC1sing1.53Å1.53Å
C1C4sing1.54Å1.55Å
C1C2sing1.54Å1.55Å
C4C3sing1.54Å1.55Å
C2C3sing1.54Å1.56Å
C6C7doub1.38Å1.38ÅAromatic
C6C5sing1.38Å1.39ÅAromatic
C7C8sing1.38Å1.38ÅAromatic
C3C5sing1.51Å1.53Å
C3C20sing1.51Å1.53Å
C5C10doub1.38Å1.38ÅAromatic
C8C9doub1.39Å1.39ÅAromatic
C10C9sing1.39Å1.39ÅAromatic
C9C11sing1.48Å1.48Å
C20N2doub1.30Å1.32ÅAromatic
C20N4sing1.36Å1.41ÅAromatic
OC15doub1.22Å1.22Å
N2N3sing1.29Å1.40ÅAromatic
C22N4sing1.47Å1.46Å
C11C15sing1.42Å1.47Å
C11C12doub1.38Å1.36Å
C15Nsing1.35Å1.38Å
N4C21sing1.35Å1.35ÅAromatic
C12C13sing1.41Å1.42Å
NC14sing1.37Å1.36Å
N3C21doub1.31Å1.31ÅAromatic
C13C14doub1.40Å1.40ÅAromatic
C13C18sing1.47Å1.42ÅAromatic
C14N1sing1.36Å1.37ÅAromatic
F1C19sing1.40Å1.32Å
N1C16sing1.47Å1.46Å
N1C17sing1.37Å1.35ÅAromatic
C18C19sing1.51Å1.47Å
C18C17doub1.34Å1.35ÅAromatic
C19Fsing1.40Å1.32Å
C19F2sing1.40Å1.32Å
C1H1sing1.09Å1.10Å
C2H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C7H4sing1.08Å1.08Å
C8H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C12H7sing1.08Å1.08Å
C16H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C21H11sing1.08Å1.08Å
C22H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
C17H15sing1.08Å1.08Å
NH16sing0.97Å1.00Å
C6H17sing1.08Å1.08Å
C4H18sing1.09Å1.10Å
C4H19sing1.09Å1.10Å
CH20sing1.09Å1.10Å
CH21sing1.09Å1.10Å
CH22sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CC1C4118.6°113.6°
CC1C2116.6°113.6°
CC1H1110.8°112.9°
C1CH20109.5°109.5°
C1CH21109.5°109.5°
C1CH22109.4°109.4°
C4C1C288.1°87.1°
C1C4C387.1°87.1°
C4C1H1110.5°113.7°
C1C4H18114.8°113.6°
C1C4H19114.7°113.7°
C1C2C386.9°87.1°
C2C1H1110.5°113.6°
C1C2H2114.8°113.6°
C1C2H3114.8°113.7°
C4C3C287.8°87.1°
C4C3C5119.8°113.6°
C4C3C20118.8°113.7°
C3C4H18114.7°113.6°
C3C4H19114.7°113.6°
C2C3C5111.1°113.6°
C2C3C20113.0°113.7°
C3C2H2114.8°113.5°
C3C2H3114.8°113.6°
C7C6C5120.5°120.3°
C6C7C8120.2°120.1°
C6C7H4119.9°119.9°
C7C6H17119.8°119.9°
C6C5C3123.0°119.9°
C6C5C10118.8°120.1°
C5C6H17119.8°119.8°
C7C8C9120.1°119.9°
C8C7H4119.9°120.0°
C7C8H5119.9°120.0°
C5C3C20105.4°112.8°
C3C5C10118.2°120.0°
C3C20N2124.5°126.4°
C3C20N4127.8°126.3°
C5C10C9121.2°119.9°
C5C10H6119.4°120.1°
C8C9C10119.2°119.7°
C8C9C11122.1°120.1°
C9C8H5119.9°120.1°
C10C9C11118.7°120.2°
C9C10H6119.4°120.0°
C9C11C15118.5°120.3°
C9C11C12121.5°120.3°
N2C20N4107.6°107.3°
C20N2N3108.0°109.7°
C20N4C22127.8°127.0°
C20N4C21106.4°106.0°
OC15C11123.5°119.7°
OC15N118.8°119.6°
N2N3C21108.1°109.7°
C22N4C21125.8°127.0°
N4C22H12109.5°109.5°
N4C22H13109.5°109.5°
N4C22H14109.5°109.5°
C15C11C12120.0°119.4°
C11C15N117.7°120.8°
C11C12C13121.6°118.9°
C11C12H7119.2°120.6°
C15NC14120.5°120.9°
C15NH16119.8°119.6°
N4C21N3109.8°107.3°
N4C21H11125.1°126.4°
C12C13C14116.2°120.0°
C12C13C18137.5°133.7°
C13C12H7119.2°120.5°
NC14C13124.0°119.9°
NC14N1127.9°132.7°
C14NH16119.8°119.5°
N3C21H11125.1°126.4°
C14C13C18106.3°106.2°
C13C14N1108.1°107.4°
C13C18C19126.7°126.7°
C13C18C17107.0°106.6°
C14N1C16127.4°124.9°
C14N1C17108.2°110.2°
F1C19C18112.3°109.5°
F1C19F105.9°109.5°
F1C19F2105.8°109.4°
C16N1C17124.5°124.9°
N1C16H8109.5°109.5°
N1C16H9109.5°109.4°
N1C16H10109.5°109.5°
N1C17C18110.4°109.6°
N1C17H15124.8°125.2°
C19C18C17126.3°126.7°
C18C19F111.7°109.5°
C18C19F2112.4°109.5°
C18C17H15124.8°125.2°
FC19F2108.2°109.5°
H2C2H3109.5°112.9°
H8C16H9109.4°109.5°
H8C16H10109.5°109.4°
H9C16H10109.5°109.5°
H12C22H13109.5°109.5°
H12C22H14109.5°109.5°
H13C22H14109.5°109.5°
H18C4H19109.5°112.9°
H20CH21109.5°109.5°
H20CH22109.5°109.5°
H21CH22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CC1C4C2119.4°114.6°
CC1C4H1129.4°130.9°
CC1C2H1127.6°130.9°
CC1C4C3143.3°140.0°
CC1C2C3145.0°140.0°
CC1C2H229.1°25.5°
CC1C2H399.1°105.5°
CC1C4H18100.7°105.5°
CC1C4H1927.3°25.4°
C1CH20H21120.0°120.0°
C1CH20H22120.0°119.9°
C1CH21H22120.0°120.0°
C4C1C2H1111.2°114.6°
C1C4C3H18116.0°114.5°
C1C4C3H19116.0°114.6°
C4C1C2C323.8°25.4°
C1C4C3C589.4°89.1°
C1C4C3C20138.9°140.0°
C4C1C2H292.2°89.0°
C4C1C2H3139.7°140.0°
C1C4H18H19130.7°131.3°
C4C1CH20180.0°60.0°
C4C1CH2160.0°180.0°
C4C1CH2260.0°60.0°
C1C2C3H2115.9°114.5°
C1C2C3H3115.9°114.6°
C1C2C3C597.4°89.2°
C1C2C3C20144.3°140.1°
C1C2H2H3130.8°131.3°
C2C1C4H18139.9°139.9°
C2C1C4H1992.1°89.2°
C2C1CH2076.7°157.5°
C2C1CH2143.3°82.5°
C2C1CH22163.2°37.5°
C4C3C2C5121.2°114.6°
C4C3C2C20120.5°114.6°
C4C3C5C618.2°92.2°
C4C3C5C20137.2°131.3°
C4C3C5C10161.9°87.2°
C4C3C20N2102.9°15.5°
C4C3C20N477.4°164.8°
C3C4C1H187.3°89.1°
C4C3C2H292.2°89.1°
C4C3C2H3139.7°140.0°
C3C4H18H19130.6°131.3°
C2C3C5C6118.2°5.3°
C2C3C5C20122.8°131.2°
C2C3C5C1061.9°175.3°
C2C3C20N22.2°113.1°
C2C3C20N4178.1°67.2°
C3C2C1H187.4°89.2°
C3C2H2H3130.7°131.2°
C2C3C4H18139.7°139.9°
C2C3C4H1992.2°89.2°
C7C6C5H17180.0°179.4°
C6C7C8H4180.0°179.8°
C7C6C5C3179.9°180.0°
C7C6C5C100.1°0.6°
C6C7C8C90.2°0.3°
C6C7C8H5179.8°179.8°
C5C6C7C80.2°0.6°
C6C5C3C10179.9°179.4°
C6C5C3C20119.0°136.5°
C6C5C10C90.3°0.3°
C5C6C7H4179.8°179.6°
C6C5C10H6179.7°179.7°
C7C8C9H5180.0°180.0°
C7C8C9C100.0°0.0°
C7C8C9C11179.8°180.0°
C8C7C6H17179.8°180.0°
C3C5C10C9179.8°179.7°
C5C3C20N2119.3°115.7°
C5C3C20N460.4°64.0°
C5C3C2H2146.6°156.3°
C5C3C2H318.5°25.5°
C3C5C10H60.2°0.3°
C3C5C6H170.1°0.6°
C5C3C4H1826.6°25.4°
C5C3C4H19154.6°156.3°
C20C3C5C1060.9°44.1°
C3C20N2N4179.7°179.8°
C3C20N2N3180.0°180.0°
C3C20N4C220.3°0.1°
C3C20N4C21180.0°180.0°
C20C3C2H228.3°25.6°
C20C3C2H399.8°105.3°
C20C3C4H18105.1°105.5°
C20C3C4H1923.0°25.4°
C5C10C9C80.2°0.0°
C5C10C9H6180.0°180.0°
C5C10C9C11179.9°180.0°
C10C5C6H17179.9°180.0°
C8C9C10C11179.9°180.0°
C8C9C11C15147.5°115.0°
C8C9C11C1232.7°65.2°
C9C8C7H4179.8°179.9°
C8C9C10H6179.8°180.0°
C10C9C11C1532.6°65.0°
C10C9C11C12147.2°114.8°
C10C9C8H5180.0°179.9°
C9C11C15O0.5°0.1°
C9C11C15C12179.8°179.8°
C9C11C15N179.5°179.7°
C9C11C12C13179.2°180.0°
C11C9C8H50.1°0.0°
C11C9C10H60.1°0.0°
C9C11C12H70.8°0.0°
N2C20N4C22180.0°179.8°
N2C20N4C210.2°0.2°
C20N2N3C210.2°0.2°
N4C20N2N30.2°0.3°
C20N4C22C21179.7°179.9°
C20N4C21N30.1°0.1°
C20N4C21H11179.9°180.0°
C20N4C22H12180.0°91.3°
C20N4C22H1360.0°148.7°
C20N4C22H1460.0°28.6°
OC15C11N180.0°179.8°
OC15C11C12179.7°179.7°
OC15NC14179.2°179.7°
OC15NH160.8°0.3°
N2N3C21N40.0°0.0°
N2N3C21H11179.9°179.9°
C22N4C21N3179.8°179.9°
C22N4C21H110.2°0.0°
N4C22H12H13120.0°120.0°
N4C22H12H14120.0°120.0°
N4C22H13H14120.0°120.0°
C15C11C12C130.6°0.2°
C11C15NC140.7°0.5°
C15C11C12H7179.4°179.8°
C11C15NH16179.3°179.9°
C12C11C15N0.3°0.5°
C11C12C13H7180.0°180.0°
C11C12C13C140.1°0.0°
C11C12C13C18178.2°180.0°
C15NC14H16180.0°179.4°
C15NC14C131.5°0.3°
C15NC14N1179.0°179.7°
N4C21N3H11180.0°179.9°
C21N4C22H120.3°88.7°
C21N4C22H13120.3°31.2°
C21N4C22H14119.7°151.3°
C12C13C14N1.2°0.0°
C12C13C14C18178.6°180.0°
C12C13C14N1179.3°180.0°
C12C13C18C191.5°0.0°
C12C13C18C17178.8°180.0°
NC14C13N1179.5°180.0°
NC14C13C18179.8°180.0°
NC14N1C160.1°0.0°
NC14N1C17179.9°180.0°
C13C14N1C16179.6°180.0°
C13C14N1C170.4°0.0°
C14C13C18C19179.7°180.0°
C14C13C18C170.6°0.0°
C14C13C12H7179.9°180.0°
C13C14NH16178.5°179.7°
C18C13C14N10.6°0.0°
C13C18C19F149.5°60.0°
C13C18C17N10.4°0.0°
C13C18C19C17179.6°180.0°
C13C18C19F69.4°180.0°
C13C18C19F2168.7°60.0°
C18C13C12H71.8°0.1°
C13C18C17H15179.6°179.9°
C14N1C16C17180.0°180.0°
C14N1C17C180.0°0.0°
C14N1C16H8180.0°90.0°
C14N1C16H960.0°150.0°
C14N1C16H1060.0°30.0°
C14N1C17H15180.0°180.0°
N1C14NH161.0°0.3°
F1C19C18F118.8°120.0°
F1C19C18F2119.2°120.0°
F1C19C18C17130.1°120.0°
F1C19FF2113.1°120.0°
C16N1C17C18180.0°180.0°
N1C16H8H9120.0°120.0°
N1C16H8H10120.0°120.0°
N1C16H9H10120.0°120.0°
C16N1C17H150.0°0.0°
N1C17C18C19180.0°180.0°
N1C17C18H15180.0°179.9°
C17N1C16H80.0°90.0°
C17N1C16H9120.0°30.0°
C17N1C16H10120.0°150.0°
C18C19FF2124.3°120.0°
C19C18C17H150.0°0.1°
C17C18C19F111.0°0.1°
C17C18C19F210.9°120.1°
H1C1C2H2156.7°156.4°
H1C1C2H328.5°25.4°
H1C1C4H1828.7°25.4°
H1C1C4H19156.7°156.3°
H1C1CH2050.7°71.3°
H1C1CH21170.7°48.8°
H1C1CH2269.3°168.7°
H4C7C8H50.2°0.0°
H4C7C6H170.2°0.2°
H8C16H9H10120.0°120.0°
H12C22H13H14120.0°120.0°
H20CH21H22120.0°120.0°

227344

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