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699

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F54C51sing1.37Å1.37Å
C51F52sing1.37Å1.35Å
C51F53sing1.37Å1.35Å
C51C2sing1.49Å1.52Å
C2C1sing1.39Å1.43ÅAromatic
C2C3doub1.39Å1.42ÅAromatic
C1C6doub1.40Å1.41ÅAromatic
C1H1sing1.09Å1.10Å
C6C5sing1.39Å1.41ÅAromatic
C6H6sing1.09Å1.10Å
C3C4sing1.39Å1.39ÅAromatic
C3H3sing1.09Å1.10Å
C4C5doub1.39Å1.43ÅAromatic
C4H4sing1.09Å1.10Å
C5C11sing1.47Å1.52Å
C11O13doub1.23Å1.27Å
C11N12sing1.40Å1.37Å
N12C17sing1.48Å1.52Å
N12C14sing1.48Å1.49Å
C17C34sing1.50Å1.56Å
C17C33sing1.53Å1.57Å
C17C16sing1.55Å1.57Å
C34O36sing1.36Å1.30Å
C34O35doub1.22Å1.21Å
O36H36sing0.98Å0.95Å
C33C37sing1.54Å1.55Å
C33H331sing1.10Å1.11Å
C33H332sing1.10Å1.11Å
C37C44sing1.53Å1.51Å
C37C40sing1.53Å1.54Å
C37H37sing1.10Å1.11Å
C44H441sing1.10Å1.12Å
C44H442sing1.09Å1.12Å
C44H443sing1.10Å1.11Å
C40H401sing1.10Å1.12Å
C40H402sing1.10Å1.11Å
C40H403sing1.10Å1.11Å
C16C15sing1.53Å1.51Å
C16H161sing1.10Å1.12Å
C16H162sing1.10Å1.12Å
C15C22sing1.50Å1.52Å
C15C14sing1.53Å1.51Å
C15H15sing1.10Å1.12Å
C22O25sing1.36Å1.35Å
C22O24doub1.22Å1.21Å
O25H25sing0.98Å0.95Å
C14C20sing1.52Å1.51Å
C14H14sing1.10Å1.12Å
C20S29sing1.71Å1.71ÅAromatic
C20C26doub1.37Å1.42ÅAromatic
S29C28sing1.71Å1.70ÅAromatic
C26C27sing1.42Å1.43ÅAromatic
C26H26sing1.08Å1.10Å
C27C28doub1.38Å1.35ÅAromatic
C27H27sing1.08Å1.10Å
C28H28sing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F54C51F52111.1°105.1°
F54C51F53116.6°105.5°
F54C51C2110.7°113.6°
F52C51F53109.6°105.5°
F52C51C2102.5°113.6°
F53C51C2105.3°112.6°
C51C2C1120.5°120.0°
C51C2C3119.5°120.0°
C1C2C3119.9°120.0°
C2C1C6121.1°120.0°
C2C1H1120.1°120.5°
C2C3C4118.8°120.0°
C2C3H3121.6°120.5°
C6C1H1118.8°119.5°
C1C6C5118.5°119.7°
C1C6H6120.6°119.4°
C5C6H6120.9°120.9°
C6C5C4120.3°120.4°
C6C5C11120.5°119.8°
C4C3H3119.5°119.4°
C3C4C5121.3°119.8°
C3C4H4118.1°119.4°
C5C4H4120.6°120.8°
C4C5C11119.0°119.8°
C5C11O13118.3°115.5°
C5C11N12121.2°119.7°
O13C11N12120.4°124.8°
C11N12C17123.2°128.2°
C11N12C14123.7°119.7°
C17N12C14113.1°110.9°
N12C17C34109.2°109.5°
N12C17C33108.4°115.3°
N12C17C1699.9°104.4°
N12C14C15102.1°106.2°
N12C14C20115.5°114.0°
N12C14H14111.9°105.8°
C34C17C33110.8°109.6°
C34C17C16109.4°109.5°
C17C34O36111.9°110.7°
C17C34O35125.9°125.1°
C33C17C16118.3°108.3°
C17C33C37118.4°113.4°
C17C33H331109.0°108.8°
C17C33H332109.0°107.8°
C17C16C15105.9°105.7°
C17C16H161113.6°109.9°
C17C16H162113.5°112.6°
O36C34O35121.0°124.2°
C34O36H36111.9°111.9°
C37C33H331109.0°110.4°
C37C33H332109.0°109.3°
C33C37C44108.8°112.5°
C33C37C40112.2°109.6°
C33C37H37107.5°108.9°
H331C33H332101.1°107.0°
C44C37C40107.7°109.7°
C44C37H37112.0°108.2°
C37C44H441112.5°111.2°
C37C44H442112.5°111.4°
C37C44H443108.8°110.8°
C40C37H37108.6°107.8°
C37C40H401111.2°111.3°
C37C40H402111.2°110.8°
C37C40H403112.2°110.8°
H441C44H44298.0°108.2°
H441C44H443112.4°108.0°
H442C44H443112.5°107.2°
H401C40H40299.1°108.1°
H401C40H403111.2°108.0°
H402C40H403111.2°107.7°
C15C16H161113.5°108.2°
C15C16H162113.6°112.9°
C16C15C22117.5°110.8°
C16C15C14103.7°103.6°
C16C15H15109.2°110.8°
H161C16H16296.9°107.5°
C22C15C14112.5°116.1°
C22C15H1599.8°105.2°
C15C22O25111.6°110.7°
C15C22O24120.8°125.1°
C14C15H15114.5°110.4°
C15C14C20113.4°113.9°
C15C14H14114.1°109.3°
O25C22O24125.8°124.3°
C22O25H25111.6°111.9°
C20C14H14100.3°107.2°
C14C20S29120.7°119.3°
C14C20C26126.2°128.3°
S29C20C26113.1°112.4°
C20S29C2891.9°91.6°
C20C26C27107.8°111.8°
C20C26H26125.8°123.8°
S29C28C27111.3°112.0°
S29C28H28133.9°120.4°
C27C26H26126.4°124.4°
C26C27C28115.8°112.1°
C26C27H27124.5°124.5°
C28C27H27119.6°123.4°
C27C28H28114.8°127.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F54C51F52F53130.2°111.3°
F54C51F52C2118.3°124.8°
F54C51F53C2123.1°124.5°
F54C51C2C168.3°0.0°
F54C51C2C3115.8°180.0°
F52C51F53C2109.6°124.5°
F52C51C2C150.3°120.1°
F52C51C2C3125.7°59.9°
F53C51C2C1164.9°120.0°
F53C51C2C311.0°60.1°
C51C2C1C3175.9°180.0°
C51C2C1C6177.3°180.0°
C51C2C1H12.6°0.0°
C51C2C3C4177.1°180.0°
C51C2C3H33.0°0.0°
C2C1C6H1180.0°180.0°
C2C1C6C50.3°0.0°
C2C1C6H6179.7°179.9°
C1C2C3C41.1°0.0°
C1C2C3H3178.9°180.0°
C3C2C1C61.4°NaN°
C3C2C1H1178.5°180.0°
C2C3C4H3180.0°180.0°
C2C3C4C50.9°0.0°
C2C3C4H4179.1°179.9°
C1C6C5H6180.0°179.9°
C1C6C5C42.3°0.0°
C1C6C5C11177.5°180.0°
H1C1C6C5179.7°180.0°
H1C1C6H60.3°0.1°
C6C5C4C32.7°0.0°
C6C5C4C11175.2°179.9°
C6C5C4H4177.3°180.0°
C6C5C11O1384.8°88.6°
C6C5C11N1298.1°90.0°
H6C6C5C4177.7°179.9°
H6C6C5C112.5°0.2°
C3C4C5H4180.0°180.0°
C3C4C5C11177.9°179.9°
H3C3C4C5179.1°180.0°
H3C3C4H40.9°0.1°
C4C5C11O1390.4°91.4°
C4C5C11N1286.7°90.1°
H4C4C5C112.1°0.1°
C5C11O13N12177.1°178.5°
C5C11N12C17175.1°15.3°
C5C11N12C143.0°178.4°
O13C11N12C177.9°166.2°
O13C11N12C14174.0°0.0°
C11N12C17C14178.3°167.2°
C11N12C17C3464.9°84.2°
C11N12C17C3355.9°39.9°
C11N12C17C16179.7°158.7°
C11N12C14C15157.1°178.9°
C11N12C14C2079.4°54.8°
C11N12C14H1434.6°62.8°
N12C17C34C33119.3°127.4°
N12C17C34C16108.4°113.9°
N12C17C33C16112.6°116.6°
N12C17C34O3620.9°126.2°
N12C17C34O35171.3°53.9°
N12C17C33C3765.2°172.7°
N12C17C33H33160.1°64.1°
N12C17C33H332169.6°51.5°
N12C17C16C1524.9°24.4°
N12C17C16H161150.2°92.1°
N12C17C16H162100.4°148.1°
C17N12C14C1521.2°10.5°
C17N12C14C20102.4°136.7°
C17N12C14H14143.7°105.7°
C14N12C17C34116.8°108.5°
C14N12C17C33122.4°127.3°
C14N12C17C162.1°8.6°
N12C14C15C1636.1°25.2°
N12C14C15C22164.1°96.4°
N12C14C15C20124.9°126.3°
N12C14C15H14121.0°113.8°
N12C14C15H1582.9°144.0°
N12C14C20H14120.5°116.8°
N12C14C20S29133.5°146.9°
N12C14C20C2649.0°33.1°
C34C17C33C16127.6°119.3°
C17C34O36O35168.5°179.8°
C17C34O36H36180.0°179.9°
C34C17C33C37175.0°63.2°
C34C17C33H33159.7°60.0°
C34C17C33H33249.8°175.6°
C34C17C16C15139.5°92.8°
C34C17C16H16195.3°150.7°
C34C17C16H16214.2°30.9°
C33C17C34O36140.2°1.2°
C33C17C34O3552.0°178.6°
C17C33C37H331125.2°122.3°
C17C33C37H332125.3°120.3°
C17C33H331H332114.7°116.2°
C17C33C37C44163.4°57.7°
C17C33C37C4077.5°64.7°
C17C33C37H3741.9°177.6°
C33C17C16C1592.3°147.8°
C33C17C16H16132.9°31.3°
C33C17C16H162142.4°88.5°
C16C17C34O3687.5°119.8°
C16C17C34O3580.3°60.0°
C16C17C33C3747.5°56.1°
C16C17C33H331172.7°179.3°
C16C17C33H33277.8°65.0°
C17C16C15H161125.3°117.7°
C17C16C15H162125.3°123.5°
C17C16H161H162119.4°122.9°
C17C16C15C22164.0°94.7°
C17C16C15C1439.1°30.5°
C17C16C15H1583.4°149.0°
O35C34O36H3611.5°0.1°
C37C33H331H332114.7°118.8°
C33C37C44C40121.9°122.4°
C33C37C44H37118.7°120.3°
C33C37C40H37118.7°118.4°
C33C37C44H44154.8°56.3°
C33C37C44H44254.7°64.4°
C33C37C44H443180.0°176.4°
C33C37C40H40154.7°61.9°
C33C37C40H40254.7°177.8°
C33C37C40H403180.0°58.3°
H331C33C37C4471.3°180.0°
H331C33C37C4047.8°57.6°
H331C33C37H37167.1°60.1°
H332C33C37C4438.2°62.6°
H332C33C37C40157.3°175.0°
H332C33C37H3783.4°57.3°
C44C37C40H37121.5°117.6°
C37C44H441H442118.4°122.6°
C37C44H441H443123.2°121.7°
C37C44H442H443123.3°121.3°
C44C37C40H401174.5°62.1°
C44C37C40H40265.1°58.2°
C44C37C40H40360.2°177.6°
C40C37C44H44167.2°66.0°
C40C37C44H442176.6°173.3°
C40C37C44H44358.1°54.0°
C37C40H401H402117.1°121.9°
C37C40H401H403125.8°121.9°
C37C40H402H403125.9°121.4°
H37C37C44H441173.5°176.6°
H37C37C44H44264.0°55.9°
H37C37C44H44361.3°63.3°
H37C37C40H40163.9°179.7°
H37C37C40H402173.4°59.4°
H37C37C40H40361.3°60.0°
H441C44H442H443118.4°116.2°
H401C40H402H403117.1°116.4°
C15C16H161H162119.5°122.2°
C16C15C22C14120.4°117.8°
C16C15C22H15117.8°119.8°
C16C15C14H15119.0°118.7°
C16C15C22O25176.5°179.9°
C16C15C22O2418.1°0.2°
C16C15C14C2088.9°151.6°
C16C15C14H14157.1°88.6°
H161C16C15C2270.7°147.7°
H161C16C15C14164.4°87.2°
H161C16C15H1541.8°31.3°
H162C16C15C2238.7°28.9°
H162C16C15C1486.1°154.0°
H162C16C15H15151.3°87.5°
C22C15C14H15113.0°119.6°
C15C22O25O24164.5°179.8°
C15C22O25H25180.0°179.9°
C22C15C14C2039.1°29.9°
C22C15C14H1474.9°149.8°
C14C15C22O2556.2°62.3°
C14C15C22O24138.5°117.5°
C15C14C20H14122.1°121.0°
C15C14C20S29109.1°91.0°
C15C14C20C2668.4°89.0°
H15C15C22O2565.7°60.1°
H15C15C22O2499.7°120.0°
H15C15C14C20152.2°89.7°
H15C15C14H1438.1°30.2°
O24C22O25H2515.5°0.0°
C14C20S29C26177.8°180.0°
C14C20S29C28178.8°180.0°
C14C20C26C27178.7°180.0°
C14C20C26H261.3°0.0°
H14C14C20S2913.0°30.0°
H14C14C20C26169.5°150.0°
S29C20C26C271.1°0.0°
S29C20C26H26178.9°179.9°
C20S29C28C270.7°0.0°
C20S29C28H28179.3°179.9°
C26C20S29C281.0°0.0°
C20C26C27H26180.0°180.0°
C20C26C27C280.6°0.0°
C20C26C27H27179.4°179.9°
S29C28C27C260.2°0.0°
S29C28C27H28180.0°179.8°
S29C28C27H27179.9°179.9°
C26C27C28H27180.0°180.0°
C26C27C28H28179.8°179.9°
H26C26C27C28179.4°179.9°
H26C26C27H270.6°0.1°
H27C27C28H280.2°0.1°

222926

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