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A1B92

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C3sing1.53Å1.53Å
C2C1sing1.53Å1.50Å
F2C1sing1.40Å1.38Å
F1C1sing1.40Å1.38Å
C3C6sing1.53Å1.52Å
C1C4sing1.53Å1.50Å
C6N1sing1.46Å1.46Å
C6C5sing1.53Å1.52Å
C4C5sing1.53Å1.53Å
N1C7sing1.39Å1.38Å
C7C18doub1.39Å1.40ÅAromatic
C7N2sing1.33Å1.34ÅAromatic
C18C13sing1.39Å1.40ÅAromatic
C14C15sing1.53Å1.51Å
C14N6sing1.47Å1.46Å
N2C8doub1.32Å1.33ÅAromatic
C13N6sing1.39Å1.37Å
C13N5doub1.33Å1.35ÅAromatic
C15O1sing1.43Å1.42Å
N6C17sing1.47Å1.46Å
C8N5sing1.32Å1.33ÅAromatic
C8N3sing1.39Å1.41Å
C17C16sing1.53Å1.51Å
C9N3sing1.36Å1.36ÅAromatic
C9C10doub1.35Å1.36ÅAromatic
N3N4sing1.40Å1.37ÅAromatic
O1C16sing1.43Å1.43Å
C10C11sing1.40Å1.41ÅAromatic
N4C11doub1.31Å1.33ÅAromatic
C11C12sing1.51Å1.49Å
N1H1sing0.97Å1.00Å
C9H2sing1.08Å1.08Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C6H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C4H7sing1.09Å1.10Å
C3H8sing1.09Å1.10Å
C3H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
C2H11sing1.09Å1.10Å
C10H12sing1.08Å1.08Å
C12H13sing1.09Å1.10Å
C12H14sing1.09Å1.10Å
C12H15sing1.09Å1.10Å
C14H16sing1.09Å1.10Å
C14H17sing1.09Å1.10Å
C15H18sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C16H20sing1.09Å1.10Å
C16H21sing1.09Å1.10Å
C17H22sing1.09Å1.10Å
C17H23sing1.09Å1.10Å
C18H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C2C1108.4°109.4°
C2C3C6110.8°109.5°
C2C3H8109.1°109.5°
C2C3H9109.1°109.4°
C3C2H10109.7°109.5°
C3C2H11109.7°109.4°
C2C1F2109.6°109.4°
C2C1F1109.3°109.5°
C2C1C4114.0°109.5°
C1C2H10109.7°109.5°
C1C2H11109.7°109.4°
F2C1F1104.5°109.5°
F2C1C4109.7°109.5°
F1C1C4109.3°109.4°
C3C6N1110.4°109.5°
C3C6C5110.5°109.5°
C3C6H5108.2°109.5°
C6C3H8109.1°109.5°
C6C3H9109.2°109.5°
C1C4C5107.9°109.5°
C1C4H6109.9°109.4°
C1C4H7109.9°109.5°
N1C6C5110.4°109.5°
C6N1C7123.5°120.1°
C6N1H1105.9°120.0°
N1C6H5109.1°109.4°
C6C5C4110.8°109.5°
C6C5H3109.1°109.5°
C6C5H4109.1°109.5°
C5C6H5108.2°109.4°
C4C5H3109.2°109.5°
C4C5H4109.1°109.5°
C5C4H6109.8°109.5°
C5C4H7109.9°109.5°
N1C7C18121.4°120.4°
N1C7N2117.7°120.5°
C7N1H1105.8°120.0°
C18C7N2120.9°119.1°
C7C18C13117.1°118.3°
C7C18H24121.4°120.8°
C7N2C8118.2°120.8°
C18C13N6122.1°120.5°
C18C13N5120.7°119.1°
C13C18H24121.4°120.8°
C15C14N6109.1°109.3°
C14C15O1111.5°109.2°
C15C14H16109.5°109.5°
C15C14H17109.6°109.5°
C14C15H18109.0°109.6°
C14C15H19109.0°109.5°
C14N6C13123.0°111.0°
C14N6C17113.6°110.8°
N6C14H16109.6°109.5°
N6C14H17109.6°109.5°
N2C8N5125.0°121.8°
N2C8N3117.3°119.1°
N6C13N5117.2°120.5°
C13N6C17123.4°111.0°
C13N5C8118.1°120.9°
C15O1C16111.3°113.8°
O1C15H18109.0°109.5°
O1C15H19109.0°109.4°
N6C17C16109.4°109.3°
N6C17H22109.5°109.6°
N6C17H23109.5°109.5°
N5C8N3117.8°119.1°
C8N3C9128.1°126.1°
C8N3N4121.3°126.1°
C17C16O1113.0°109.2°
C17C16H20108.6°109.5°
C17C16H21108.6°109.6°
C16C17H22109.5°109.5°
C16C17H23109.5°109.5°
N3C9C10107.4°107.6°
C9N3N4110.6°107.8°
N3C9H2126.3°126.2°
C9C10C11105.6°107.9°
C10C9H2126.3°126.2°
C9C10H12127.2°126.1°
N3N4C11105.7°108.2°
O1C16H20108.6°109.5°
O1C16H21108.6°109.5°
C10C11N4110.8°108.4°
C10C11C12128.9°125.8°
C11C10H12127.2°126.0°
N4C11C12120.3°125.8°
C11C12H13109.5°109.5°
C11C12H14109.5°109.5°
C11C12H15109.5°109.5°
H3C5H4109.5°109.4°
H6C4H7109.5°109.5°
H8C3H9109.5°109.5°
H10C2H11109.5°109.5°
H13C12H14109.5°109.4°
H13C12H15109.5°109.4°
H14C12H15109.4°109.5°
H16C14H17109.5°109.5°
H18C15H19109.5°109.6°
H20C16H21109.5°109.5°
H22C17H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C2C1H10119.8°120.0°
C3C2C1H11119.8°119.9°
C3C2C1F2177.9°180.0°
C3C2C1F163.9°60.0°
C2C3C6H8120.2°120.0°
C2C3C6H9120.2°120.0°
C3C2C1C458.8°60.0°
C2C3C6N1179.3°180.0°
C2C3C6C556.9°60.0°
C2C3C6H561.5°60.0°
C2C3H8H9119.3°119.9°
C3C2H10H11120.5°120.0°
C2C1F2F1117.1°120.0°
C2C1F2C4125.9°120.1°
C2C1F1C4125.5°120.0°
C1C2C3C655.8°59.9°
C2C1C4C559.3°60.0°
C2C1C4H660.4°60.0°
C2C1C4H7179.1°180.0°
C1C2C3H864.4°180.0°
C1C2C3H9176.0°60.1°
C1C2H10H11120.5°120.0°
F2C1F1C4117.3°120.0°
F2C1C4C5177.4°180.0°
F2C1C4H662.9°60.0°
F2C1C4H757.6°60.0°
F2C1C2H1062.3°60.0°
F2C1C2H1158.1°60.1°
F1C1C4C563.4°60.0°
F1C1C4H6176.9°180.0°
F1C1C4H756.4°60.0°
F1C1C2H10176.3°60.0°
F1C1C2H1155.9°180.0°
C3C6N1C5122.5°120.0°
C3C6N1H5118.7°120.0°
C3C6C5H5118.3°120.0°
C3C6C5C457.7°60.0°
C3C6N1C7134.4°85.0°
C3C6N1H1103.7°94.8°
C3C6C5H362.5°60.1°
C3C6C5H4177.9°180.0°
C6C3H8H9119.4°120.1°
C6C3C2H1064.0°180.0°
C6C3C2H11175.7°60.0°
C1C4C5C657.1°60.0°
C1C4C5H6119.8°119.9°
C1C4C5H7119.8°120.0°
C1C4C5H363.1°60.1°
C1C4C5H4177.3°180.0°
C1C4H6H7120.7°120.0°
C4C1C2H1061.0°180.0°
C4C1C2H11178.6°60.0°
N1C6C5H5119.3°120.0°
N1C6C5C4179.9°180.0°
C6N1C7H1121.9°179.7°
C6N1C7C18155.9°0.2°
C6N1C7N224.7°179.4°
N1C6C5H359.9°60.0°
N1C6C5H459.7°59.9°
N1C6C3H859.1°59.9°
N1C6C3H960.5°60.1°
C6C5C4H3120.2°120.1°
C6C5C4H4120.2°120.0°
C5C6N1C7103.1°155.0°
C5C6N1H118.8°25.3°
C6C5H3H4119.4°120.0°
C6C5C4H662.6°59.9°
C6C5C4H7176.9°180.0°
C5C6C3H863.3°180.0°
C5C6C3H9177.1°60.0°
C4C5H3H4119.4°120.0°
C4C5C6H560.6°60.0°
C5C4H6H7120.7°120.0°
N1C7C18N2179.4°179.7°
N1C7C18C13179.8°180.0°
N1C7N2C8179.8°180.0°
C7N1C6H515.6°35.0°
N1C7C18H240.2°0.1°
C7C18C13H24180.0°179.9°
C18C7N2C80.4°0.3°
C7C18C13N6179.6°179.7°
C7C18C13N50.2°0.1°
C18C7N1H182.2°180.0°
N2C7C18C130.4°0.4°
C7N2C8N50.2°0.0°
C7N2C8N3179.9°179.7°
N2C7N1H197.3°0.3°
N2C7C18H24179.6°179.7°
C18C13N6C1412.7°179.7°
C18C13N6N5179.8°179.8°
C18C13N6C17167.3°56.6°
C18C13N5C80.1°0.2°
C15C14N6H16119.9°119.9°
C15C14N6H17120.0°120.0°
C15C14N6C13179.2°177.6°
C14C15O1H18120.3°120.0°
C14C15O1H19120.3°119.9°
C15C14N6C170.9°58.6°
C14C15O1C1657.9°58.6°
C15C14H16H17120.1°120.1°
C14C15H18H19119.1°120.2°
C14N6C13C17179.9°123.7°
C14N6C13N5167.6°0.1°
N6C14C15O156.5°56.8°
C14N6C17C1652.9°58.6°
N6C14H16H17120.2°120.1°
N6C14C15H18176.8°176.7°
N6C14C15H1963.8°63.1°
C14N6C17H2267.1°178.5°
C14N6C17H23172.8°61.4°
N2C8N5C130.1°0.3°
N2C8N5N3179.8°179.7°
N2C8N3C917.4°0.3°
N2C8N3N4162.1°179.7°
N6C13N5C8179.7°180.0°
C13N6C17C16127.2°177.6°
C13N6C14H1660.9°62.5°
C13N6C14H1759.2°57.6°
C13N6C17H22112.8°57.7°
C13N6C17H237.2°62.5°
N6C13C18H240.4°0.2°
N5C13N6C1712.5°123.6°
C13N5C8N3179.9°180.0°
N5C13C18H24179.8°180.0°
C15O1C16C172.7°58.7°
O1C15C14H16176.5°63.1°
O1C15C14H1763.4°176.8°
O1C15H18H19119.1°120.0°
C15O1C16H20117.8°61.3°
C15O1C16H21123.2°178.7°
N6C17C16H22120.0°120.0°
N6C17C16H23120.0°120.0°
N6C17C16O152.4°56.8°
C17N6C14H16119.1°61.3°
C17N6C14H17120.8°178.6°
N6C17C16H20172.9°63.1°
N6C17C16H2168.1°176.8°
N6C17H22H23120.0°120.2°
N5C8N3C9162.7°180.0°
N5C8N3N417.8°0.0°
C8N3C9N4179.6°180.0°
C8N3C9C10179.8°180.0°
C8N3N4C11179.7°180.0°
C8N3C9H20.2°0.3°
C17C16O1H20120.5°119.9°
C17C16O1H21120.5°120.0°
C17C16H20H21118.4°120.2°
C16C17H22H23120.1°120.0°
N3C9C10H2180.0°179.8°
N3C9C10C110.2°0.0°
C9N3N4C110.1°0.0°
N3C9C10H12179.8°180.0°
C10C9N3N40.2°0.0°
C9C10C11H12180.0°179.9°
C9C10C11N40.1°0.0°
C9C10C11C12179.9°180.0°
N3N4C11C100.0°0.0°
N3N4C11C12179.9°180.0°
N4N3C9H2179.7°179.7°
C16O1C15H18178.3°178.6°
C16O1C15H1962.4°61.3°
O1C16H20H21118.4°120.1°
O1C16C17H2267.6°176.8°
O1C16C17H23172.3°63.1°
C10C11N4C12179.9°180.0°
C11C10C9H2179.7°179.8°
C10C11C12H13179.9°90.0°
C10C11C12H1459.9°30.0°
C10C11C12H1560.0°150.0°
N4C11C10H12179.9°179.9°
N4C11C12H130.0°90.0°
N4C11C12H14120.0°150.0°
N4C11C12H15120.0°29.9°
C12C11C10H120.1°0.1°
C11C12H13H14120.0°120.0°
C11C12H13H15120.1°120.1°
C11C12H14H15120.0°120.1°
H1N1C6H5137.6°145.3°
H2C9C10H120.3°0.2°
H3C5C6H5179.2°180.0°
H3C5C4H6177.2°180.0°
H3C5C4H756.7°60.0°
H4C5C6H559.6°60.1°
H4C5C4H657.6°60.1°
H4C5C4H762.9°60.0°
H5C6C3H8178.3°60.0°
H5C6C3H958.7°179.9°
H8C3C2H10175.8°60.0°
H8C3C2H1155.4°60.1°
H9C3C2H1056.2°59.9°
H9C3C2H1164.1°180.0°
H13C12H14H15119.9°119.9°
H16C14C15H1863.2°56.8°
H16C14C15H1956.2°177.0°
H17C14C15H1856.9°63.3°
H17C14C15H19176.3°57.0°
H20C16C17H2252.9°56.8°
H20C16C17H2367.1°176.9°
H21C16C17H22171.9°63.3°
H21C16C17H2351.8°56.8°

250059

PDB entries from 2026-03-04

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