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A1IV6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C21sing1.57Å1.54Å
C20C18sing1.55Å1.54Å
C21C22sing1.53Å1.53Å
O19C18sing1.43Å1.42Å
C18C16sing1.53Å1.55Å
C22C16sing1.55Å1.53Å
C22C12sing1.51Å1.53Å
C16C17sing1.53Å1.53Å
C16C15sing1.52Å1.53Å
C11C12sing1.53Å1.52Å
C11C10sing1.53Å1.51Å
C12C13sing1.53Å1.53Å
C15C14sing1.54Å1.52Å
C10C8sing1.51Å1.51Å
C13C14sing1.52Å1.53Å
C13C7sing1.50Å1.52Å
C8C7doub1.38Å1.40ÅAromatic
C8C9sing1.39Å1.39ÅAromatic
C7C6sing1.39Å1.39ÅAromatic
C9C4doub1.40Å1.39ÅAromatic
C6C5doub1.38Å1.38ÅAromatic
C4C5sing1.40Å1.39ÅAromatic
C4C2sing1.47Å1.49Å
C1C2sing1.51Å1.50Å
C2O3doub1.21Å1.22Å
C1H29sing1.09Å1.10Å
C1H28sing1.09Å1.10Å
C1H27sing1.09Å1.10Å
C5H30sing1.08Å1.08Å
C6H31sing1.08Å1.08Å
C10H34sing1.09Å1.10Å
C10H33sing1.09Å1.10Å
C11H36sing1.09Å1.10Å
C11H35sing1.09Å1.10Å
C12H23sing1.09Å1.10Å
C13H24sing1.09Å1.10Å
C14H37sing1.09Å1.10Å
C14H38sing1.09Å1.10Å
C15H40sing1.09Å1.10Å
C15H39sing1.09Å1.10Å
C21H47sing1.09Å1.10Å
C21H48sing1.09Å1.10Å
C22H26sing1.09Å1.10Å
C17H41sing1.09Å1.10Å
C17H43sing1.09Å1.10Å
C17H42sing1.09Å1.10Å
C18H25sing1.09Å1.10Å
C20H46sing1.09Å1.10Å
C20H45sing1.09Å1.10Å
C9H32sing1.08Å1.08Å
O19H44sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21C20C18105.0°106.1°
C20C21C22104.5°105.0°
C20C21H47110.7°110.3°
C20C21H48110.7°110.6°
C21C20H46110.6°110.1°
C21C20H45110.6°110.1°
C20C18O19112.0°110.9°
C20C18C16104.1°102.9°
C20C18H25108.6°110.8°
C18C20H46110.6°110.3°
C18C20H45110.6°110.1°
C21C22C16103.9°103.2°
C21C22C12120.8°116.4°
C22C21H47110.7°110.3°
C22C21H48110.7°110.3°
C21C22H26105.9°109.8°
O19C18C16113.3°110.7°
O19C18H25110.2°110.7°
C18O19H44109.5°114.0°
C18C16C2297.8°102.1°
C18C16C17111.0°110.2°
C18C16C15116.4°116.0°
C16C18H25108.4°110.7°
C16C22C12113.5°106.8°
C22C16C17113.8°110.3°
C22C16C15106.9°107.7°
C16C22H26105.8°109.9°
C22C12C11112.9°111.9°
C22C12C13109.4°106.9°
C22C12H23108.3°110.5°
C12C22H26105.9°110.4°
C17C16C15110.5°110.1°
C16C17H41109.5°109.5°
C16C17H43109.5°109.5°
C16C17H42109.5°109.5°
C16C15C14113.0°107.6°
C16C15H40108.6°109.8°
C16C15H39108.6°109.9°
C12C11C10109.5°108.2°
C11C12C13109.3°107.9°
C12C11H36109.5°109.7°
C12C11H35109.4°109.8°
C11C12H23108.4°109.8°
C11C10C8112.2°111.3°
C11C10H34108.8°109.2°
C11C10H33108.8°109.1°
C10C11H36109.4°109.7°
C10C11H35109.5°109.7°
C12C13C14110.6°111.4°
C12C13C7111.7°110.1°
C13C12H23108.4°109.7°
C12C13H24106.4°107.9°
C15C14C13112.0°110.7°
C15C14H37108.8°109.2°
C15C14H38108.9°109.2°
C14C15H40108.6°109.8°
C14C15H39108.6°109.8°
C10C8C7123.3°122.8°
C10C8C9117.1°117.6°
C8C10H34108.8°109.1°
C8C10H33108.8°109.1°
C14C13C7114.6°111.9°
C14C13H24106.4°108.0°
C13C14H37108.9°109.2°
C13C14H38108.9°109.2°
C13C7C8119.9°121.8°
C13C7C6121.3°118.1°
C7C13H24106.5°107.2°
C7C8C9119.5°119.6°
C8C7C6118.9°120.0°
C8C9C4121.3°120.5°
C8C9H32119.3°119.7°
C7C6C5120.9°120.8°
C7C6H31119.5°119.6°
C9C4C5118.7°119.4°
C9C4C2121.4°120.3°
C4C9H32119.3°119.7°
C6C5C4120.6°119.5°
C6C5H30119.7°120.2°
C5C6H31119.5°119.6°
C5C4C2119.9°120.3°
C4C5H30119.7°120.3°
C4C2C1120.2°120.0°
C4C2O3120.0°120.0°
C1C2O3119.7°120.0°
C2C1H29109.5°109.5°
C2C1H28109.5°109.5°
C2C1H27109.4°109.5°
H29C1H28109.5°109.4°
H29C1H27109.5°109.5°
H28C1H27109.5°109.5°
H34C10H33109.5°109.1°
H36C11H35109.5°109.7°
H37C14H38109.5°109.2°
H40C15H39109.5°109.8°
H47C21H48109.5°110.3°
H41C17H43109.5°109.5°
H41C17H42109.5°109.5°
H43C17H42109.5°109.4°
H46C20H45109.4°110.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21C20C18H46119.3°119.2°
C21C20C18H45119.3°119.2°
C20C21C22H47119.2°118.8°
C20C21C22H48119.2°119.1°
C21C20C18O19149.6°142.3°
C21C20C18C1626.8°23.9°
C20C21C22C1632.6°29.3°
C20C21C22C12161.3°145.9°
C20C21H47H48122.3°122.4°
C20C21C22H2678.6°87.8°
C21C20C18H2588.6°94.4°
C21C20H46H45122.1°121.5°
C18C20C21C223.3°3.5°
C20C18O19C16117.4°113.5°
C20C18O19H25120.9°123.3°
C20C18C16H25115.5°118.4°
C20C18C16C2245.6°41.9°
C20C18C16C1773.6°75.3°
C20C18C16C15158.8°158.7°
C18C20C21H47122.5°115.3°
C18C20C21H48115.9°122.5°
C18C20H46H45122.1°121.7°
C20C18O19H44180.0°66.5°
C21C22C16C1847.9°44.8°
C21C22C16C12133.1°123.2°
C21C22C16H26111.3°117.0°
C21C22C12H26120.0°126.0°
C21C22C16C1769.1°72.4°
C21C22C16C15168.6°167.4°
C21C22C12C1154.3°62.3°
C21C22C12C13176.2°179.8°
C21C22C12H2365.8°60.4°
C22C21H47H48122.3°122.0°
C22C21C20H46122.6°122.8°
C22C21C20H45116.0°115.7°
O19C18C16H25122.7°123.1°
O19C18C16C22167.5°160.4°
O19C18C16C1748.3°43.3°
O19C18C16C1579.3°82.8°
O19C18C20H4630.3°23.1°
O19C18C20H4591.1°98.5°
C18C16C22C17117.0°117.1°
C18C16C22C15120.7°122.7°
C18C16C22C12179.0°168.0°
C18C16C17C15130.7°129.3°
C18C16C15C14163.5°177.3°
C18C16C15H4076.0°57.8°
C18C16C15H3943.0°63.1°
C18C16C22H2663.4°72.3°
C18C16C17H41180.0°170.0°
C18C16C17H4360.0°50.0°
C18C16C17H4260.0°70.0°
C16C18C20H4692.5°95.3°
C16C18C20H45146.1°143.1°
C16C18O19H4462.6°180.0°
C16C22C12H26115.6°119.4°
C22C16C17C15120.2°118.7°
C16C22C12C11178.6°176.9°
C16C22C12C1359.4°65.2°
C22C16C15C1455.5°63.7°
C16C22C12H2358.5°54.2°
C22C16C15H40176.1°55.9°
C22C16C15H3965.0°176.8°
C16C22C21H47151.8°89.5°
C16C22C21H4886.6°148.4°
C22C16C17H4170.9°58.0°
C22C16C17H4349.1°62.0°
C22C16C17H42169.1°178.0°
C22C16C18H2569.9°76.5°
C12C22C16C1763.9°50.9°
C12C22C16C1558.3°69.3°
C22C12C11C13122.0°117.4°
C22C12C11H23120.1°123.1°
C22C12C11C10170.7°172.5°
C22C12C13H23117.9°119.9°
C22C12C13C1454.9°59.8°
C22C12C13C7176.1°175.3°
C22C12C11H3669.3°52.9°
C22C12C11H3550.7°67.8°
C22C12C13H2460.2°58.6°
C12C22C21H4779.5°27.1°
C12C22C21H4842.1°95.0°
C17C16C15C1468.7°56.6°
C17C16C15H4051.8°176.1°
C17C16C15H39170.7°63.0°
C17C16C22H26179.6°170.6°
C16C17H41H43120.0°120.0°
C16C17H41H42120.0°120.0°
C16C17H43H42120.0°120.0°
C17C16C18H25170.9°166.4°
C16C15C14H40120.5°119.5°
C16C15C14H39120.5°119.6°
C16C15C14C1355.7°57.3°
C16C15C14H3764.7°177.6°
C16C15C14H38176.1°63.0°
C16C15H40H39118.4°120.9°
C15C16C22H2657.3°50.4°
C15C16C17H4149.3°60.7°
C15C16C17H43169.3°179.3°
C15C16C17H4270.7°59.3°
C15C16C18H2543.4°40.3°
C12C11C10H36120.0°119.7°
C12C11C10H35120.0°119.7°
C11C12C13H23118.0°119.5°
C12C11C10C846.9°48.8°
C11C12C13C14179.0°179.6°
C11C12C13C752.0°54.8°
C12C11C10H34167.3°71.6°
C12C11C10H3373.5°169.2°
C12C11H36H35120.0°120.7°
C11C12C13H2463.9°62.0°
C11C12C22H2665.8°63.7°
C10C11C12C1367.3°70.1°
C11C10C8H34120.4°120.5°
C11C10C8H33120.4°120.4°
C11C10C8C714.3°15.8°
C11C10C8C9165.9°164.7°
C11C10H34H33118.7°119.1°
C10C11H36H35120.0°120.6°
C10C11C12H2350.7°49.4°
C12C13C14C1554.0°56.0°
C12C13C14C7127.4°123.8°
C12C13C14H24115.2°118.4°
C12C13C7H24115.8°117.2°
C12C13C7C819.2°21.7°
C12C13C7C6161.0°159.0°
C13C12C11H3652.7°170.3°
C13C12C11H35172.7°49.6°
C12C13C14H3766.3°176.4°
C12C13C14H38174.4°64.2°
C13C12C22H2656.2°54.2°
C15C14C13H37120.4°120.3°
C15C14C13H38120.4°120.3°
C15C14C13C7178.5°179.9°
C15C14C13H2461.2°62.3°
C15C14H37H38118.9°119.4°
C14C15H40H39118.4°120.9°
C10C8C7C130.2°2.0°
C10C8C7C9179.8°179.5°
C10C8C7C6180.0°178.7°
C10C8C9C4180.0°178.7°
C8C10H34H33118.7°119.1°
C8C10C11H3673.1°168.5°
C8C10C11H35166.9°70.9°
C10C8C9H320.0°1.0°
C14C13C7H24117.3°118.2°
C14C13C7C8146.1°146.2°
C14C13C7C634.2°34.4°
C14C13C12H2363.0°60.0°
C13C14H37H38118.9°119.4°
C13C14C15H40176.2°62.2°
C13C14C15H3964.9°176.9°
C13C7C8C6179.8°179.3°
C13C7C8C9180.0°178.5°
C13C7C6C5179.9°178.9°
C13C7C6H310.1°1.2°
C7C13C12H2366.0°64.8°
C7C13C14H3761.1°59.8°
C7C13C14H3858.1°59.6°
C7C8C9C40.2°0.8°
C8C7C6C50.1°0.5°
C8C7C6H31179.9°179.4°
C7C8C10H34134.7°104.7°
C7C8C10H33106.1°136.2°
C8C7C13H2496.6°95.5°
C7C8C9H32179.8°179.5°
C9C8C7C60.2°0.8°
C8C9C4H32180.0°179.8°
C8C9C4C50.0°0.5°
C8C9C4C2180.0°179.7°
C9C8C10H3445.5°74.8°
C9C8C10H3373.7°44.3°
C7C6C5H31180.0°180.0°
C7C6C5C40.0°0.2°
C7C6C5H30180.0°180.0°
C6C7C13H2483.1°83.8°
C9C4C5C60.1°0.2°
C9C4C5C2180.0°179.8°
C9C4C2C114.0°179.8°
C9C4C2O3166.1°0.2°
C9C4C5H30180.0°180.0°
C6C5C4H30180.0°179.7°
C6C5C4C2179.9°180.0°
C5C4C2C1166.0°0.0°
C5C4C2O313.9°180.0°
C4C5C6H31180.0°179.7°
C5C4C9H32180.0°179.7°
C4C2C1O3179.9°180.0°
C4C2C1H29179.9°90.0°
C4C2C1H2860.1°30.0°
C4C2C1H2759.9°150.0°
C2C4C5H300.0°0.3°
C2C4C9H320.0°0.0°
C2C1H29H28120.0°119.9°
C2C1H29H27120.0°120.0°
C2C1H28H27120.0°120.0°
O3C2C1H290.0°90.1°
O3C2C1H28120.0°150.0°
O3C2C1H27120.0°30.0°
H29C1H28H27120.0°120.1°
H30C5C6H310.0°0.0°
H34C10C11H3647.3°48.0°
H34C10C11H3572.7°168.6°
H33C10C11H36166.5°71.1°
H33C10C11H3546.5°49.5°
H36C11C12H23170.7°70.2°
H35C11C12H2369.3°169.1°
H23C12C13H24178.1°178.4°
H23C12C22H26174.1°173.6°
H24C13C14H37178.5°58.0°
H24C13C14H3859.2°177.4°
H37C14C15H4055.8°58.1°
H37C14C15H39174.8°62.8°
H38C14C15H4063.4°177.5°
H38C14C15H3955.5°56.6°
H47C21C22H2640.6°153.4°
H47C21C20H46118.1°4.0°
H47C21C20H453.2°125.5°
H48C21C22H26162.2°31.3°
H48C21C20H463.4°118.2°
H48C21C20H45124.8°3.3°
H41C17H43H42120.0°120.0°
H25C18C20H46152.1°146.4°
H25C18C20H4530.7°24.7°
H25C18O19H4459.1°56.9°

251422

PDB entries from 2026-04-01

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