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LXY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F33C30sing1.40Å1.36Å
C1C2sing1.53Å1.52Å
F32C30sing1.40Å1.36Å
F31C30sing1.40Å1.36Å
C30C29sing1.51Å1.50Å
F44C4sing1.40Å1.36Å
C4C2sing1.54Å1.52Å
C4C6sing1.55Å1.52Å
C2N9sing1.47Å1.49Å
C23N22sing1.47Å1.46Å
C23C24sing1.51Å1.51Å
C29C24doub1.39Å1.40ÅAromatic
C29C28sing1.38Å1.39ÅAromatic
N22C20sing1.35Å1.38Å
O21C20doub1.21Å1.23Å
C6C7sing1.55Å1.52Å
C20C7sing1.51Å1.53Å
C24C25sing1.38Å1.40ÅAromatic
N9C7sing1.47Å1.48Å
N9S10sing1.66Å1.69Å
C28N27doub1.32Å1.36ÅAromatic
O12S10doub1.42Å1.45Å
C25C26doub1.39Å1.40ÅAromatic
S10C13sing1.76Å1.78Å
S10O11doub1.42Å1.45Å
N27C26sing1.33Å1.35ÅAromatic
C14C13doub1.38Å1.40ÅAromatic
C14C15sing1.38Å1.40ÅAromatic
C26C34sing1.48Å1.47Å
C13C18sing1.38Å1.40ÅAromatic
C15C16doub1.39Å1.39ÅAromatic
C34C35doub1.40Å1.39ÅAromatic
C34C39sing1.40Å1.39ÅAromatic
C18C17doub1.38Å1.40ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C16F19sing1.35Å1.34Å
C35N36sing1.32Å1.35ÅAromatic
C39N38doub1.32Å1.36ÅAromatic
N36C37doub1.32Å1.35ÅAromatic
N38C37sing1.32Å1.35ÅAromatic
C37C40sing1.51Å1.50Å
C40F41sing1.40Å1.36Å
C40F42sing1.40Å1.36Å
C40F43sing1.40Å1.36Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C14H141sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C17H171sing1.08Å1.08Å
C18H181sing1.08Å1.08Å
C2H3sing1.09Å1.10Å
C23H232sing1.09Å1.10Å
C23H231sing1.09Å1.10Å
C25H251sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C35H351sing1.08Å1.08Å
C39H391sing1.08Å1.08Å
C4H5sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
C7H8sing1.09Å1.10Å
N22H221sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F33C30F32106.1°109.5°
F33C30F31105.5°109.5°
F33C30C29112.3°109.4°
C1C2C4111.0°109.9°
C1C2N9106.7°109.9°
C2C1H11109.5°109.5°
C2C1H12109.5°109.5°
C2C1H13109.5°109.5°
C1C2H3110.9°109.8°
F32C30F31105.1°109.5°
F32C30C29113.7°109.5°
F31C30C29113.3°109.4°
C30C29C24123.8°120.3°
C30C29C28119.1°120.3°
F44C4C2109.9°110.7°
F44C4C6109.1°110.7°
F44C4H5112.1°110.8°
C2C4C6106.3°102.9°
C4C2N9105.8°107.3°
C4C2H3110.9°110.0°
C2C4H5109.6°110.7°
C4C6C7104.7°101.6°
C6C4H5109.6°110.7°
C4C6H62110.6°111.0°
C4C6H61110.7°111.0°
C2N9C7109.1°108.7°
C2N9S10120.5°125.6°
N9C2H3111.4°109.9°
N22C23C24113.6°109.5°
C23N22C20123.7°120.0°
N22C23H232108.4°109.4°
N22C23H231108.4°109.4°
C23N22H221118.2°119.9°
C23C24C29122.3°120.7°
C23C24C25119.5°120.8°
C24C23H232108.4°109.5°
C24C23H231108.4°109.5°
C24C29C28117.1°119.3°
C29C24C25118.1°118.5°
C29C28N27125.1°120.9°
C29C28H281117.5°119.5°
N22C20O21123.5°120.0°
N22C20C7114.7°120.0°
C20N22H221118.2°120.0°
O21C20C7121.7°120.0°
C6C7C20112.4°110.3°
C6C7N9103.5°104.8°
C7C6H62110.7°111.0°
C7C6H61110.6°111.0°
C6C7H8109.4°110.4°
C20C7N9112.0°110.4°
C20C7H8109.4°110.3°
C24C25C26121.0°119.1°
C24C25H251119.5°120.4°
C7N9S10121.7°125.6°
N9C7H8110.1°110.5°
N9S10O12108.6°106.4°
N9S10C13105.9°107.2°
N9S10O11108.0°106.4°
C28N27C26117.5°121.6°
N27C28H281117.4°119.6°
O12S10C13106.8°106.4°
O12S10O11119.4°123.2°
C25C26N27121.2°120.5°
C25C26C34121.5°119.7°
C26C25H251119.5°120.5°
C13S10O11107.4°106.4°
S10C13C14119.7°120.0°
S10C13C18119.5°120.0°
N27C26C34117.3°119.7°
C13C14C15119.8°120.0°
C14C13C18119.9°120.1°
C13C14H141120.1°120.0°
C14C15C16119.9°120.0°
C15C14H141120.1°120.0°
C14C15H151120.1°120.0°
C26C34C35122.9°120.9°
C26C34C39123.9°120.9°
C13C18C17120.0°120.0°
C13C18H181120.0°120.0°
C15C16C17120.6°119.9°
C15C16F19120.1°120.0°
C16C15H151120.1°120.0°
C35C34C39113.1°118.2°
C34C35N36125.4°119.0°
C34C35H351117.3°120.6°
C34C39N38124.7°119.0°
C34C39H391117.7°120.5°
C18C17C16119.9°120.0°
C18C17H171120.1°120.0°
C17C18H181120.0°120.0°
C17C16F19119.2°120.1°
C16C17H171120.0°120.0°
C35N36C37116.0°120.9°
N36C35H351117.3°120.5°
C39N38C37116.2°120.9°
N38C39H391117.7°120.5°
N36C37N38124.6°122.0°
N36C37C40117.3°119.0°
N38C37C40118.1°119.0°
C37C40F41112.5°109.5°
C37C40F42113.2°109.5°
C37C40F43113.1°109.5°
F41C40F42105.8°109.5°
F41C40F43106.0°109.4°
F42C40F43105.6°109.5°
H11C1H12109.5°109.4°
H11C1H13109.4°109.5°
H12C1H13109.5°109.4°
H232C23H231109.5°109.5°
H62C6H61109.5°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F33C30F32F31111.5°120.0°
F33C30F32C29124.0°120.0°
F33C30F31C29123.3°119.9°
F33C30C29C2484.3°60.1°
F33C30C29C2894.9°120.0°
C1C2C4F44119.7°144.4°
C1C2C4N9115.4°119.5°
C1C2C4H3123.7°121.0°
C1C2C4C6122.3°97.2°
C1C2N9H3121.1°121.0°
C1C2N9C7104.3°120.5°
C1C2N9S10107.7°59.5°
C2C1H11H12120.0°120.0°
C2C1H11H13120.0°120.0°
C2C1H12H13120.0°120.0°
C1C2C4H53.9°21.1°
F32C30F31C29124.7°120.0°
F32C30C29C2436.3°60.0°
F32C30C29C28144.5°119.9°
F31C30C29C24156.2°180.0°
F31C30C29C2824.5°0.1°
C30C29C24C230.7°0.1°
C30C29C24C28179.3°179.9°
C30C29C24C25177.2°179.7°
C30C29C28N27178.3°180.0°
C30C29C28H2811.7°0.4°
F44C4C2C6118.0°118.3°
F44C4C2H5123.6°123.3°
F44C4C6H5123.1°123.3°
F44C4C2N9124.9°96.1°
F44C4C6C7142.8°82.8°
F44C4C2H34.0°23.4°
F44C4C6H6223.6°35.2°
F44C4C6H6197.9°159.1°
C2C4C6H5118.4°118.3°
C4C2N9H3120.6°119.6°
C2C4C6C724.3°35.5°
C4C2N9C714.0°1.1°
C4C2N9S10134.0°178.9°
C4C2C1H11180.0°57.8°
C4C2C1H1260.0°62.2°
C4C2C1H1360.0°177.9°
C2C4C6H6295.0°153.6°
C2C4C6H61143.5°82.6°
C6C4C2N96.9°22.2°
C4C6C7H62119.3°118.0°
C4C6C7H61119.2°118.1°
C4C6C7C2088.6°155.9°
C4C6C7N932.4°37.0°
C6C4C2H3114.0°141.8°
C4C6H62H61122.2°123.9°
C4C6C7H8149.7°82.0°
C2N9C7C629.0°24.2°
C2N9C7C2092.2°142.9°
C2N9C7S10147.6°180.0°
C2N9S10O1240.7°163.8°
C2N9S10C1373.6°82.6°
C2N9S10O11171.6°30.9°
N9C2C1H1165.2°60.0°
N9C2C1H1254.9°180.0°
N9C2C1H13174.8°60.0°
N9C2C4H5111.5°140.5°
C2N9C7H8145.9°94.8°
N22C23C24H232120.6°120.0°
N22C23C24H231120.6°120.0°
N22C23C24C29159.7°79.8°
C23N22C20H221180.0°180.0°
C23N22C20O211.0°0.0°
C23N22C20C7175.9°180.0°
N22C23C24C2523.8°100.0°
N22C23H232H231118.1°119.9°
C23C24C29C25176.5°179.8°
C23C24C29C28180.0°180.0°
C24C23N22C20137.9°180.0°
C23C24C25C26179.4°179.9°
C24C23H232H231118.1°120.1°
C23C24C25H2510.6°0.1°
C24C23N22H22142.1°0.0°
C24C29C28N272.4°0.1°
C29C24C25C262.8°0.2°
C29C24C23H23279.7°160.3°
C29C24C23H23139.1°40.2°
C29C24C25H251177.2°179.7°
C24C29C28H281177.6°179.7°
C28C29C24C253.5°0.2°
C29C28N27H281180.0°179.7°
C29C28N27C260.2°0.3°
N22C20O21C7176.6°179.9°
N22C20C7C6139.8°100.7°
N22C20C7N923.8°144.0°
C20N22C23H23217.3°60.0°
C20N22C23H231101.5°60.0°
N22C20C7H898.5°21.5°
O21C20C7C643.3°79.4°
O21C20C7N9159.3°36.0°
O21C20C7H878.4°158.4°
O21C20N22H221179.0°180.0°
C6C7C20N9116.0°115.4°
C6C7C20H8121.7°122.2°
C6C7N9H8116.9°118.9°
C6C7N9S10118.6°155.8°
C7C6C4H594.1°153.8°
C7C6H62H61122.2°123.9°
C20C7N9H8121.9°122.3°
C20C7N9S10120.1°37.0°
C20C7C6H62152.1°86.1°
C20C7C6H6130.6°37.8°
C7C20N22H2214.1°0.0°
C24C25C26H251180.0°180.0°
C24C25C26N270.5°0.0°
C24C25C26C34178.2°179.9°
C25C24C23H23296.8°19.9°
C25C24C23H231144.4°140.0°
C7N9S10O12175.2°16.1°
C7N9S10C1370.4°97.4°
C7N9S10O1144.4°149.1°
C7N9C2H3134.6°118.5°
N9C7C6H6286.9°155.0°
N9C7C6H61151.6°81.1°
N9S10O12C13113.8°114.1°
N9S10O12O11124.3°123.0°
N9S10C13O11115.2°113.6°
N9S10C13C1485.9°89.7°
N9S10C13C18105.0°90.0°
S10N9C2H313.5°61.5°
S10N9C7H81.7°85.3°
C28N27C26C250.8°0.2°
C28N27C26C34177.0°179.7°
O12S10C13O11129.2°132.9°
O12S10C13C1429.6°156.7°
O12S10C13C18139.4°23.6°
C25C26N27C34177.8°179.9°
C25C26C34C3526.8°180.0°
C25C26C34C39151.2°0.3°
S10C13C14C18169.0°179.7°
S10C13C14C15169.5°179.7°
S10C13C18C17169.7°179.7°
S10C13C14H14110.5°0.3°
S10C13C18H18110.3°0.3°
O11S10C13C14158.8°23.8°
O11S10C13C1810.2°156.5°
N27C26C34C35155.5°0.1°
N27C26C34C3926.6°179.8°
N27C26C25H251179.5°180.0°
C26N27C28H281179.9°180.0°
C13C14C15H141180.0°180.0°
C13C14C15C160.3°0.0°
C14C13C18C170.7°0.0°
C13C14C15H151179.7°179.9°
C14C13C18H181179.3°180.0°
C15C14C13C180.5°0.0°
C14C15C16H151180.0°179.9°
C14C15C16C170.2°0.0°
C14C15C16F19178.0°180.0°
C26C34C35C39178.2°179.7°
C26C34C35N36176.8°180.0°
C26C34C39N38176.5°180.0°
C34C26C25H2511.8°0.1°
C26C34C35H3513.2°0.1°
C26C34C39H3913.5°0.0°
C13C18C17H181180.0°179.9°
C13C18C17C160.6°0.1°
C18C13C14H141179.5°180.0°
C13C18C17H171179.4°180.0°
C15C16C17C180.4°0.0°
C15C16C17F19178.2°180.0°
C16C15C14H141179.7°179.9°
C15C16C17H171179.6°180.0°
C34C35N36H351180.0°179.9°
C35C34C39N381.7°0.3°
C34C35N36C370.5°0.1°
C35C34C39H391178.3°179.7°
C39C34C35N361.4°0.3°
C34C39N38H391180.0°180.0°
C34C39N38C370.2°0.0°
C39C34C35H351178.6°179.8°
C18C17C16H171180.0°179.9°
C18C17C16F19177.8°180.0°
C17C16C15H151179.8°179.9°
C16C17C18H181179.4°180.0°
F19C16C15H1512.0°0.1°
F19C16C17H1712.2°0.1°
C35N36C37N382.3°0.3°
C35N36C37C40179.5°180.0°
C39N38C37N362.0°0.3°
C39N38C37C40179.8°180.0°
N36C37N38C40178.2°179.7°
N36C37C40F4195.1°105.0°
N36C37C40F4224.8°135.0°
N36C37C40F43144.8°15.0°
C37N36C35H351179.6°179.9°
N38C37C40F4183.2°74.7°
N38C37C40F42156.9°45.3°
N38C37C40F4336.9°165.3°
C37N38C39H391179.9°180.0°
C37C40F41F42124.1°120.0°
C37C40F41F43124.1°120.0°
C37C40F42F43124.2°120.0°
F41C40F42F43112.1°120.0°
H11C1H12H13120.0°120.0°
H11C1C2H356.3°178.9°
H12C1C2H3176.3°58.9°
H13C1C2H363.7°61.1°
H141C14C15H1510.3°0.0°
H171C17C18H1810.6°0.1°
H3C2C4H5127.6°99.9°
H232C23N22H221162.7°120.0°
H231C23N22H22178.5°120.0°
H5C4C6H62146.7°88.1°
H5C4C6H6125.2°35.7°
H62C6C7H830.4°36.0°
H61C6C7H891.1°159.9°

224931

PDB entries from 2024-09-11

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