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A1A1D

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F1C22sing1.40Å1.30Å
C7N4doub1.31Å1.30ÅAromatic
C7N3sing1.35Å1.37ÅAromatic
C10C22sing1.53Å1.48Å
C10C8sing1.53Å1.53Å
N4N5sing1.29Å1.39ÅAromatic
C22F3sing1.40Å1.33Å
C22F2sing1.40Å1.33Å
C9C8sing1.53Å1.52Å
C8N3sing1.46Å1.48Å
N3C6sing1.37Å1.37ÅAromatic
C21N6sing1.47Å1.48Å
N5C6doub1.31Å1.31ÅAromatic
C6C3sing1.48Å1.47Å
N6C19sing1.47Å1.49Å
C19C18sing1.51Å1.50Å
C3N1doub1.33Å1.34ÅAromatic
C3C4sing1.39Å1.39ÅAromatic
N1C2sing1.32Å1.34ÅAromatic
C4C5doub1.39Å1.38ÅAromatic
C12C13sing1.51Å1.50Å
C12N2sing1.47Å1.47Å
C18C13doub1.38Å1.40ÅAromatic
C18C17sing1.38Å1.40ÅAromatic
C2N2sing1.39Å1.42Å
C2C1doub1.39Å1.41ÅAromatic
C13C14sing1.40Å1.39ÅAromatic
N2C11sing1.34Å1.39Å
C5C1sing1.38Å1.38ÅAromatic
C17C16doub1.39Å1.39ÅAromatic
C14C11sing1.48Å1.48Å
C14C15doub1.40Å1.39ÅAromatic
C11O1doub1.22Å1.22Å
C16C15sing1.38Å1.39ÅAromatic
C16O2sing1.36Å1.37Å
O2C20sing1.43Å1.43Å
C5H3sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
C1H1sing1.08Å1.08Å
C15H13sing1.08Å1.08Å
C17H14sing1.08Å1.08Å
C7H4sing1.08Å1.08Å
C12H12sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C9H8sing1.09Å1.10Å
C9H6sing1.09Å1.10Å
C9H7sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C10H9sing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C8H5sing1.09Å1.10Å
N6H17sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F1C22C10112.0°109.4°
F1C22F3107.3°109.5°
F1C22F2104.9°109.5°
N4C7N3111.4°107.6°
C7N4N5107.3°110.0°
N4C7H4124.3°126.2°
C7N3C8125.8°127.1°
C7N3C6103.5°105.9°
N3C7H4124.3°126.2°
C22C10C8114.5°109.4°
C10C22F3112.1°109.5°
C10C22F2112.7°109.5°
C22C10H9108.2°109.5°
C22C10H10108.2°109.5°
C10C8C9110.4°109.4°
C10C8N3110.3°109.5°
C8C10H9108.2°109.5°
C8C10H10108.2°109.5°
C10C8H5108.1°109.5°
N4N5C6106.9°109.6°
F3C22F2107.4°109.5°
C9C8N3111.0°109.5°
C8C9H8109.5°109.4°
C8C9H6109.5°109.5°
C8C9H7109.4°109.5°
C9C8H5108.2°109.5°
C8N3C6130.7°127.1°
N3C8H5108.8°109.5°
N3C6N5110.8°107.0°
N3C6C3126.0°126.5°
C21N6C19113.8°111.0°
N6C21H22109.5°109.4°
N6C21H21109.5°109.5°
N6C21H23109.5°109.5°
C21N6H17108.4°111.0°
N5C6C3123.3°126.5°
C6C3N1118.6°119.7°
C6C3C4118.5°119.7°
N6C19C18113.1°109.5°
N6C19H15108.6°109.5°
N6C19H16108.6°109.5°
C19N6H17108.4°111.0°
C19C18C13118.0°120.0°
C19C18C17123.3°120.0°
C18C19H15108.5°109.5°
C18C19H16108.5°109.4°
N1C3C4122.9°120.6°
C3N1C2118.0°121.5°
C3C4C5118.7°119.2°
C3C4H2120.6°120.4°
N1C2N2114.7°119.6°
N1C2C1122.9°120.8°
C4C5C1120.0°118.6°
C4C5H3120.0°120.7°
C5C4H2120.7°120.4°
C13C12N2102.3°106.3°
C12C13C18130.0°133.2°
C12C13C14110.0°106.4°
C13C12H12111.2°110.1°
C13C12H11111.2°110.1°
C12N2C2120.5°125.6°
C12N2C11112.6°108.8°
N2C12H12111.2°110.1°
N2C12H11111.2°110.1°
C13C18C17118.8°120.1°
C18C13C14120.0°120.4°
C18C17C16120.6°120.1°
C18C17H14119.7°119.9°
N2C2C1122.4°119.6°
C2N2C11126.8°125.6°
C2C1C5117.5°119.3°
C2C1H1121.2°120.3°
C13C14C11108.9°108.3°
C13C14C15121.4°119.5°
N2C11C14106.1°110.3°
N2C11O1125.1°124.8°
C1C5H3120.0°120.7°
C5C1H1121.2°120.4°
C17C16C15120.8°120.2°
C17C16O2115.1°119.9°
C16C17H14119.7°119.9°
C11C14C15129.7°132.3°
C14C11O1128.8°124.9°
C14C15C16118.6°119.8°
C14C15H13120.7°120.1°
C15C16O2124.2°119.9°
C16C15H13120.7°120.1°
C16O2C20118.8°117.0°
O2C20H18109.5°109.5°
O2C20H19109.5°109.5°
O2C20H20109.4°109.5°
H12C12H11109.5°110.2°
H8C9H6109.4°109.5°
H8C9H7109.5°109.5°
H6C9H7109.5°109.5°
H22C21H21109.4°109.5°
H22C21H23109.5°109.5°
H21C21H23109.5°109.5°
H18C20H19109.5°109.5°
H18C20H20109.5°109.4°
H19C20H20109.5°109.5°
H15C19H16109.5°109.5°
H9C10H10109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F1C22C10F3120.6°120.0°
F1C22C10F2118.0°120.0°
F1C22C10C8173.8°174.2°
F1C22F3F2112.4°120.0°
F1C22C10H953.1°54.2°
F1C22C10H1065.4°65.8°
N4C7N3H4180.0°179.7°
N4C7N3C8178.8°180.0°
N4C7N3C61.4°0.0°
C7N4N5C60.7°0.0°
C7N3C8C1035.1°61.9°
N3C7N4N51.3°0.0°
C7N3C8C987.6°58.1°
C7N3C8C6179.7°179.9°
C7N3C6N50.9°0.0°
C7N3C6C3179.9°180.0°
C7N3C8H5153.5°178.1°
C22C10C8H9120.7°119.9°
C22C10C8H10120.7°120.0°
C10C22F3F2124.3°120.0°
C22C10C8C9100.1°174.3°
C22C10C8N3136.9°65.7°
C22C10H9H10117.7°120.0°
C22C10C8H518.1°54.3°
C8C10C22F365.5°54.2°
C8C10C22F255.8°65.9°
C10C8C9N3122.6°120.0°
C10C8C9H5118.1°120.0°
C10C8N3H5118.4°120.0°
C10C8N3C6144.7°118.2°
C10C8C9H8180.0°55.0°
C10C8C9H660.0°65.0°
C10C8C9H760.0°175.0°
C8C10H9H10117.7°120.0°
N4N5C6N30.2°0.0°
N4N5C6C3179.2°180.0°
N5N4C7H4178.7°179.7°
F3C22C10H9173.7°65.8°
F3C22C10H1055.2°174.2°
F2C22C10H964.9°174.2°
F2C22C10H10176.5°54.1°
C9C8N3H5118.9°120.0°
C9C8N3C692.7°121.8°
C8C9H8H6120.0°120.0°
C8C9H8H7120.0°120.0°
C8C9H6H7120.0°120.0°
C9C8C10H9139.2°54.4°
C9C8C10H1020.6°65.7°
C8N3C6N5179.3°180.0°
C8N3C6C30.3°0.1°
C8N3C7H41.2°0.3°
N3C8C9H857.4°65.0°
N3C8C9H662.6°175.0°
N3C8C9H7177.4°55.0°
N3C8C10H916.2°174.4°
N3C8C10H10102.4°54.3°
N3C6N5C3179.0°180.0°
N3C6C3N120.0°6.7°
N3C6C3C4160.7°173.1°
C6N3C7H4178.6°179.7°
C6N3C8H526.2°1.8°
C21N6C19H17120.6°124.0°
C21N6C19C18169.6°180.0°
N6C21H22H21120.0°120.0°
N6C21H22H23120.0°120.0°
N6C21H21H23120.0°120.0°
C21N6C19H1549.0°60.0°
C21N6C19H1669.9°60.0°
N5C6C3N1161.1°173.4°
N5C6C3C418.2°6.8°
C6C3N1C4179.2°179.8°
C6C3N1C2179.9°180.0°
C6C3C4C5179.5°179.8°
C6C3C4H20.5°0.3°
N6C19C18H15120.5°120.0°
N6C19C18H16120.5°120.0°
N6C19C18C13179.5°80.0°
N6C19C18C170.2°100.0°
C19N6C21H22180.0°60.0°
C19N6C21H2160.0°60.0°
C19N6C21H2360.0°180.0°
N6C19H15H16118.4°120.0°
C19C18C13C120.3°0.0°
C19C18C13C17179.3°179.9°
C19C18C13C14179.1°180.0°
C19C18C17C16178.9°179.8°
C19C18C17H141.1°0.2°
C18C19H15H16118.3°120.0°
C18C19N6H1769.8°56.0°
N1C3C4C50.3°0.0°
C3N1C2N2179.5°180.0°
C3N1C2C10.5°0.5°
N1C3C4H2179.7°180.0°
C4C3N1C20.9°0.2°
C3C4C5H2180.0°180.0°
C3C4C5C10.7°0.1°
C3C4C5H3179.3°179.7°
N1C2N2C127.3°171.7°
N1C2N2C1179.9°179.5°
N1C2N2C11176.6°8.3°
N1C2C1C50.4°0.5°
N1C2C1H1179.7°179.5°
C4C5C1C21.0°0.3°
C4C5C1H3180.0°179.6°
C4C5C1H1179.1°179.7°
C13C12N2H12118.8°119.2°
C13C12N2H11118.8°119.2°
C12C13C18C14178.7°180.0°
C12C13C18C17179.6°180.0°
C13C12N2C2178.4°180.0°
C13C12N2C111.9°0.0°
C12C13C14C110.4°0.0°
C12C13C14C15178.3°180.0°
C13C12H12H11123.3°121.6°
N2C12C13C18179.7°180.0°
C12N2C2C11176.0°180.0°
C12N2C2C1172.7°8.8°
N2C12C13C140.8°0.0°
C12N2C11C142.2°0.0°
C12N2C11O1179.8°179.9°
N2C12H12H11123.3°121.6°
C13C18C17C160.4°0.2°
C18C13C14C11178.5°180.0°
C18C13C14C152.7°0.0°
C13C18C17H14179.6°179.7°
C18C13C12H1261.5°60.8°
C18C13C12H1160.8°60.8°
C13C18C19H1559.0°160.0°
C13C18C19H1660.0°40.0°
C17C18C13C141.6°0.0°
C18C17C16H14180.0°179.5°
C18C17C16C151.4°0.4°
C18C17C16O2179.7°179.9°
C17C18C19H15120.3°20.0°
C17C18C19H16120.7°140.0°
N2C2C1C5179.6°180.0°
C2N2C11C14178.5°180.0°
C2N2C11O13.9°0.0°
N2C2C1H10.4°0.0°
C2N2C12H1262.7°60.9°
C2N2C12H1159.6°60.8°
C1C2N2C113.3°171.2°
C2C1C5H1180.0°180.0°
C2C1C5H3179.0°179.9°
C13C14C11N21.6°0.0°
C13C14C11C15178.6°180.0°
C13C14C11O1179.1°179.9°
C13C14C15C161.7°0.2°
C13C14C15H13178.3°179.9°
C14C13C12H12119.7°119.2°
C14C13C12H11118.0°119.2°
N2C11C14O1177.5°179.9°
N2C11C14C15177.0°180.0°
C11N2C12H12120.7°119.2°
C11N2C12H11117.0°119.2°
C1C5C4H2179.3°180.0°
C17C16C15C140.4°0.4°
C17C16C15O2178.1°179.5°
C17C16O2C20178.1°180.0°
C17C16C15H13179.7°179.7°
C11C14C15C16179.8°179.7°
C11C14C15H130.2°0.1°
C15C14C11O10.5°0.1°
C14C15C16H13180.0°179.8°
C14C15C16O2178.5°179.9°
C15C16O2C200.1°0.5°
C15C16C17H14178.6°180.0°
O2C16C15H131.5°0.2°
O2C16C17H140.3°0.5°
C16O2C20H18180.0°60.0°
C16O2C20H1960.0°60.0°
C16O2C20H2060.0°180.0°
O2C20H18H19120.0°120.0°
O2C20H18H20120.0°120.0°
O2C20H19H20120.0°120.0°
H3C5C4H20.7°0.4°
H3C5C1H11.0°0.1°
H8C9H6H7120.0°120.1°
H8C9C8H561.9°175.0°
H6C9C8H5178.1°55.0°
H7C9C8H558.1°65.0°
H22C21H21H23120.0°120.0°
H22C21N6H1759.3°63.9°
H21C21N6H1760.6°176.1°
H23C21N6H17179.4°56.0°
H18C20H19H20120.0°120.0°
H15C19N6H17169.7°64.0°
H16C19N6H1750.7°176.0°
H9C10C8H5102.6°65.6°
H10C10C8H5138.8°174.3°

251801

PDB entries from 2026-04-08

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