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YQ2

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3C23doub1.22Å1.25Å
C23O2sing1.35Å1.25Å
C23C18sing1.47Å1.45Å
C19C18doub1.40Å1.40ÅAromatic
C19C20sing1.38Å1.38ÅAromatic
C18C17sing1.40Å1.41ÅAromatic
C20C21doub1.39Å1.38ÅAromatic
C17N4sing1.39Å1.41Å
C17C22doub1.39Å1.39ÅAromatic
C21C22sing1.38Å1.37ÅAromatic
N4C10sing1.46Å1.45Å
C10C11sing1.53Å1.53Å
C10C3sing1.51Å1.52Å
C2C3doub1.38Å1.37ÅAromatic
C2C1sing1.39Å1.39ÅAromatic
C3C4sing1.40Å1.41ÅAromatic
C9C1sing1.51Å1.50Å
C1C5doub1.36Å1.36ÅAromatic
C4N2sing1.36Å1.35Å
C4N1doub1.34Å1.36ÅAromatic
N2C6doub1.30Å1.35Å
C5N1sing1.33Å1.37ÅAromatic
N1C8sing1.37Å1.40Å
C6N3sing1.36Å1.34Å
C6C7sing1.51Å1.34Å
C13C12sing1.53Å1.54Å
C13C14sing1.53Å1.53Å
C12N3sing1.47Å1.47Å
N3C16sing1.47Å1.47Å
C8C7sing1.51Å1.38Å
C8O1doub1.21Å1.23Å
C15C14sing1.53Å1.52Å
C15C16sing1.53Å1.51Å
C13H1sing1.09Å1.10Å
C13H2sing1.09Å1.10Å
C15H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C20H5sing1.08Å1.08Å
C22H6sing1.08Å1.08Å
C11H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C19H12sing1.08Å1.08Å
C10H13sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C2H18sing1.08Å1.08Å
C21H19sing1.08Å1.08Å
C5H20sing1.08Å1.08Å
C7H21sing1.09Å1.10Å
C7H22sing1.09Å1.10Å
C9H23sing1.09Å1.10Å
C9H24sing1.09Å1.10Å
C9H25sing1.09Å1.10Å
N4H26sing0.97Å1.00Å
O2H27sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3C23O2117.0°120.0°
O3C23C18119.9°120.0°
O2C23C18123.1°120.0°
C23O2H27109.5°117.0°
C23C18C19117.1°120.2°
C23C18C17124.4°120.2°
C18C19C20121.8°119.9°
C19C18C17118.5°119.6°
C18C19H12119.1°120.0°
C19C20C21118.9°120.3°
C19C20H5120.5°119.8°
C20C19H12119.1°120.1°
C18C17N4121.4°120.2°
C18C17C22118.9°119.7°
C20C21C22120.7°120.5°
C21C20H5120.5°119.9°
C20C21H19119.7°119.8°
N4C17C22119.7°120.1°
C17N4C10122.9°120.0°
C17N4H26106.0°120.0°
C17C22C21121.2°120.0°
C17C22H6119.4°120.0°
C21C22H6119.4°120.0°
C22C21H19119.7°119.7°
N4C10C11109.7°109.5°
N4C10C3114.0°109.5°
N4C10H13105.9°109.5°
C10N4H26106.0°120.0°
C11C10C3116.2°109.5°
C10C11H7109.5°109.4°
C10C11H8109.5°109.4°
C10C11H9109.5°109.5°
C11C10H13105.1°109.5°
C10C3C2120.7°120.4°
C10C3C4120.8°120.3°
C3C10H13105.1°109.5°
C3C2C1119.9°118.9°
C2C3C4118.5°119.3°
C3C2H18120.0°120.5°
C2C1C9118.9°120.2°
C2C1C5120.7°119.5°
C1C2H18120.0°120.6°
C3C4N2123.2°119.3°
C3C4N1120.1°119.7°
C9C1C5120.5°120.3°
C1C9H23109.5°109.5°
C1C9H24109.5°109.5°
C1C9H25109.5°109.5°
C1C5N1120.0°121.1°
C1C5H20120.0°119.4°
N2C4N1116.7°121.0°
C4N2C6123.0°122.6°
C4N1C5120.9°121.4°
C4N1C8121.7°119.1°
N2C6N3117.0°119.9°
N2C6C7121.2°120.1°
C5N1C8117.4°119.5°
N1C5H20120.0°119.4°
N1C8C7118.8°117.5°
N1C8O1115.9°121.3°
N3C6C7121.8°120.0°
C6N3C12124.1°120.6°
C6N3C16113.7°120.6°
C6C7C8118.5°107.8°
C6C7H21107.1°109.7°
C6C7H22107.2°109.8°
C12C13C14113.9°109.3°
C13C12N3110.7°108.8°
C12C13H1108.4°109.5°
C12C13H2108.3°109.5°
C13C12H10109.1°109.5°
C13C12H11109.2°109.6°
C13C14C15107.5°109.5°
C14C13H1108.4°109.5°
C14C13H2108.4°109.5°
C13C14H14110.0°109.5°
C13C14H15110.0°109.4°
C12N3C16112.1°118.7°
N3C12H10109.2°109.6°
N3C12H11109.2°109.6°
N3C16C15109.1°108.8°
N3C16H16109.6°109.6°
N3C16H17109.6°109.7°
C7C8O1125.2°121.3°
C8C7H21107.2°109.8°
C8C7H22107.2°109.9°
C14C15C16109.5°109.3°
C14C15H3109.4°109.5°
C14C15H4109.5°109.5°
C15C14H14110.0°109.5°
C15C14H15109.9°109.5°
C16C15H3109.5°109.5°
C16C15H4109.5°109.5°
C15C16H16109.6°109.6°
C15C16H17109.6°109.6°
H1C13H2109.4°109.6°
H3C15H4109.5°109.5°
H7C11H8109.5°109.5°
H7C11H9109.5°109.5°
H8C11H9109.4°109.5°
H10C12H11109.5°109.8°
H14C14H15109.4°109.5°
H16C16H17109.4°109.6°
H21C7H22109.5°109.8°
H23C9H24109.4°109.4°
H23C9H25109.5°109.5°
H24C9H25109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3C23O2C18178.7°179.9°
O3C23C18C197.6°174.1°
O3C23C18C17173.8°5.9°
O3C23O2H270.0°0.1°
O2C23C18C19171.1°5.8°
O2C23C18C177.5°174.2°
C23C18C19C17178.8°180.0°
C23C18C19C20179.2°179.9°
C23C18C17N41.2°0.0°
C23C18C17C22179.5°179.7°
C23C18C19H120.8°0.0°
C18C23O2H27178.7°180.0°
C18C19C20H12180.0°180.0°
C18C19C20C210.0°0.2°
C19C18C17N4179.9°180.0°
C19C18C17C220.8°0.3°
C18C19C20H5180.0°180.0°
C20C19C18C170.4°0.1°
C19C20C21H5180.0°179.8°
C19C20C21C220.0°0.2°
C19C20C21H19180.0°180.0°
C18C17N4C22179.2°179.7°
C18C17C22C210.9°0.3°
C18C17N4C10132.6°174.3°
C18C17C22H6179.1°179.7°
C17C18C19H12179.6°180.0°
C18C17N4H26105.5°5.8°
C20C21C22C170.5°0.1°
C20C21C22H19180.0°179.9°
C20C21C22H6179.5°179.9°
C21C20C19H12180.0°179.8°
N4C17C22C21179.8°180.0°
C17N4C10H26121.9°179.9°
C17N4C10C11146.9°85.0°
C17N4C10C380.9°155.0°
N4C17C22H60.2°0.0°
C17N4C10H1334.0°35.0°
C17C22C21H6180.0°180.0°
C22C17N4C1048.1°5.4°
C17C22C21H19179.5°179.8°
C22C17N4H2673.8°174.6°
C22C21C20H5180.0°180.0°
N4C10C11C3131.0°120.0°
N4C10C11H13113.4°120.0°
N4C10C3H13115.4°120.0°
N4C10C3C234.4°25.0°
N4C10C3C4143.4°155.0°
N4C10C11H7180.0°180.0°
N4C10C11H860.0°60.0°
N4C10C11H960.0°60.0°
C11C10C3H13115.6°120.0°
C11C10C3C294.5°95.0°
C11C10C3C487.7°85.1°
C10C11H7H8120.0°119.9°
C10C11H7H9120.0°120.0°
C10C11H8H9120.0°120.0°
C11C10N4H2691.3°95.1°
C10C3C2C4177.9°179.9°
C10C3C2C1178.8°179.9°
C10C3C4N21.9°0.5°
C10C3C4N1178.7°178.5°
C3C10C11H749.0°60.0°
C3C10C11H871.0°60.0°
C3C10C11H9169.0°180.0°
C10C3C2H181.2°0.2°
C3C10N4H2640.9°24.9°
C3C2C1H18180.0°179.9°
C3C2C1C9179.4°179.7°
C3C2C1C50.4°0.6°
C2C3C4N2179.8°179.6°
C2C3C4N10.9°1.4°
C2C3C10H13149.9°145.0°
C1C2C3C40.9°0.0°
C2C1C9C5179.8°179.7°
C2C1C5N10.2°0.3°
C2C1C5H20179.8°179.7°
C2C1C9H2389.9°89.7°
C2C1C9H24150.1°30.3°
C2C1C9H2530.1°150.3°
C3C4N2N1179.4°179.0°
C3C4N2C6179.3°168.2°
C3C4N1C50.3°2.3°
C3C4N1C8179.5°177.1°
C4C3C10H1328.0°34.9°
C4C3C2H18179.1°179.9°
C9C1C5N1180.0°179.4°
C9C1C2H180.6°0.1°
C9C1C5H200.0°0.6°
C1C9H23H24120.0°120.0°
C1C9H23H25120.0°120.0°
C1C9H24H25120.0°120.0°
C1C5N1C40.2°1.8°
C1C5N1H20180.0°180.0°
C1C5N1C8179.9°177.6°
C5C1C2H18179.6°179.6°
C5C1C9H2389.9°90.0°
C5C1C9H2430.1°150.0°
C5C1C9H25150.1°30.0°
N2C4N1C5179.7°178.7°
N2C4N1C80.1°1.9°
C4N2C6N3179.8°178.0°
C4N2C6C70.0°2.0°
N1C4N2C60.1°12.8°
C4N1C5C8179.8°179.4°
C4N1C8C70.4°29.6°
C4N1C8O1179.6°150.4°
C4N1C5H20179.8°178.3°
N2C6N3C7179.8°180.0°
N2C6N3C1258.2°0.0°
N2C6N3C16159.4°180.0°
N2C6C7C80.3°26.3°
N2C6C7H21121.0°93.2°
N2C6C7H22121.6°146.0°
C5N1C8C7179.4°151.0°
C5N1C8O10.3°29.0°
N1C8C7C60.5°39.7°
N1C8C7O1179.1°180.0°
C8N1C5H200.0°2.4°
N1C8C7H21120.8°79.8°
N1C8C7H22121.8°159.3°
C6N3C12C13163.0°126.4°
C6N3C12C16142.9°179.9°
N3C6C7C8179.5°153.7°
C6N3C16C15150.9°126.4°
C6N3C12H1042.9°113.9°
C6N3C12H1176.7°6.7°
C6N3C16H1630.9°6.7°
C6N3C16H1789.2°113.7°
N3C6C7H2159.2°86.8°
N3C6C7H2258.2°34.0°
C7C6N3C12122.0°179.9°
C7C6N3C1620.4°0.0°
C6C7C8H21121.3°119.5°
C6C7C8H22121.3°119.6°
C6C7C8O1179.6°140.3°
C6C7H21H22115.9°120.8°
C12C13C14H1120.7°119.9°
C12C13C14H2120.6°120.0°
C13C12N3H10120.2°119.7°
C13C12N3H11120.2°119.8°
C13C12N3C1654.1°53.7°
C12C13C14C1552.3°61.4°
C12C13H1H2118.0°120.1°
C13C12H10H11119.4°120.3°
C12C13C14H1467.4°178.6°
C12C13C14H15172.0°58.6°
C14C13C12N350.2°54.6°
C13C14C15H14119.7°120.0°
C13C14C15H15119.7°120.0°
C13C14C15C1658.8°61.4°
C14C13H1H2118.0°120.1°
C13C14C15H3178.8°58.6°
C13C14C15H461.2°178.7°
C14C13C12H10170.3°65.1°
C14C13C12H1170.1°174.4°
C13C14H14H15120.9°119.9°
C12N3C16C1562.2°53.7°
N3C12C13H1170.8°65.3°
N3C12C13H270.5°174.6°
N3C12H10H11119.4°120.4°
C12N3C16H16177.8°173.4°
C12N3C16H1757.8°66.2°
N3C16C15C1464.7°54.7°
N3C16C15H16120.0°119.7°
N3C16C15H17120.0°120.0°
N3C16C15H3175.3°65.3°
N3C16C15H455.3°174.7°
C16N3C12H10174.2°66.1°
C16N3C12H1166.2°173.4°
N3C16H16H17120.1°120.5°
C8C7H21H22115.9°121.0°
O1C8C7H2158.3°100.2°
O1C8C7H2259.1°20.7°
C14C15C16H3120.0°120.0°
C14C15C16H4120.0°119.9°
C15C14C13H1173.0°58.6°
C15C14C13H268.3°178.7°
C14C15H3H4120.0°120.1°
C15C14H14H15120.9°120.0°
C14C15C16H16175.3°174.4°
C14C15C16H1755.3°65.3°
C16C15H3H4120.0°120.0°
C16C15C14H1460.9°178.6°
C16C15C14H15178.5°58.6°
C15C16H16H17120.1°120.3°
H1C13C12H1069.0°175.0°
H1C13C12H1150.6°54.5°
H1C13C14H1453.3°61.5°
H1C13C14H1567.3°178.6°
H2C13C12H1049.7°54.8°
H2C13C12H11169.3°65.6°
H2C13C14H14171.9°58.7°
H2C13C14H1551.4°61.3°
H3C15C14H1459.0°61.4°
H3C15C14H1561.5°178.6°
H3C15C16H1655.4°54.4°
H3C15C16H1764.7°174.7°
H4C15C14H14179.1°58.7°
H4C15C14H1558.5°61.3°
H4C15C16H1664.7°65.6°
H4C15C16H17175.3°54.7°
H5C20C19H120.0°0.1°
H5C20C21H190.0°0.2°
H6C22C21H190.5°0.2°
H7C11H8H9120.0°120.1°
H7C11C10H1366.6°60.0°
H8C11C10H13173.4°180.0°
H9C11C10H1353.4°60.0°
H13C10N4H26155.9°145.0°
H23C9H24H25120.0°119.9°

249697

PDB entries from 2026-02-25

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