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WYQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C16C15sing1.53Å1.53Å
C15C17sing1.53Å1.53Å
O6C15sing1.45Å1.44Å
O6C14sing1.35Å1.36Å
C14O5doub1.22Å1.23Å
N5C14sing1.35Å1.33Å
N5S1sing1.66Å1.63Å
S1O4doub1.42Å1.43Å
S1O3doub1.42Å1.50Å
C8C9doub1.39Å1.39ÅAromatic
C8S1sing1.76Å1.75Å
C7C8sing1.38Å1.39ÅAromatic
C10C9sing1.38Å1.39ÅAromatic
C11C10doub1.39Å1.39ÅAromatic
O2C11sing1.36Å1.36Å
O2C12sing1.43Å1.44Å
C12C13sing1.53Å1.53Å
C6C7doub1.40Å1.39ÅAromatic
C6C11sing1.40Å1.39ÅAromatic
C5C6sing1.48Å1.39Å
N4C5sing1.37Å1.40Å
C4N4sing1.35Å1.40Å
O1C4doub1.22Å1.23Å
N3C5doub1.31Å1.34Å
C2N3sing1.35Å1.34Å
C3C4sing1.41Å1.39Å
C3C2doub1.40Å1.39ÅAromatic
N2C3sing1.37Å1.33ÅAromatic
C18N2sing1.47Å1.33Å
N1N2sing1.40Å1.23ÅAromatic
N1C1doub1.31Å1.33ÅAromatic
C1C19sing1.51Å1.53Å
C1C2sing1.41Å1.39ÅAromatic
C20C19sing1.53Å1.53Å
C20C21sing1.53Å1.53Å
C16H1sing1.09Å1.10Å
C16H2sing1.09Å1.10Å
C16H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C17H5sing1.09Å1.10Å
C17H6sing1.09Å1.10Å
C17H7sing1.09Å1.10Å
N5H8sing0.97Å1.00Å
C7H9sing1.08Å1.08Å
C9H10sing1.08Å1.08Å
C10H11sing1.08Å1.08Å
C12H12sing1.09Å1.10Å
C12H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C13H16sing1.09Å1.10Å
N4H17sing0.97Å1.00Å
C18H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C19H21sing1.09Å1.10Å
C19H22sing1.09Å1.10Å
C20H23sing1.09Å1.10Å
C20H24sing1.09Å1.10Å
C21H25sing1.09Å1.10Å
C21H26sing1.09Å1.10Å
C21H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C16C15C17108.6°109.5°
C16C15O6108.5°109.4°
C15C16H1109.5°109.4°
C15C16H2109.5°109.5°
C15C16H3109.5°109.5°
C16C15H4109.1°109.4°
C17C15O6111.0°109.5°
C17C15H4109.1°109.5°
C15C17H5109.5°109.5°
C15C17H6109.5°109.5°
C15C17H7109.5°109.5°
C15O6C14112.0°117.0°
O6C15H4110.5°109.5°
O6C14O5119.2°120.0°
O6C14N5117.9°120.0°
O5C14N5122.9°120.0°
C14N5S1111.1°120.0°
C14N5H8124.5°120.0°
N5S1O4109.3°106.4°
N5S1O3110.7°106.4°
N5S1C8110.2°107.2°
S1N5H8124.4°120.0°
O4S1O3108.9°123.2°
O4S1C8108.0°106.4°
O3S1C8109.8°106.4°
C9C8S1119.3°119.9°
C9C8C7120.5°120.2°
C8C9C10119.9°120.4°
C8C9H10120.1°119.7°
S1C8C7119.8°119.9°
C8C7C6119.4°119.9°
C8C7H9120.3°120.0°
C9C10C11119.9°120.1°
C10C9H10120.1°119.8°
C9C10H11120.0°120.0°
C10C11O2120.8°120.2°
C10C11C6119.9°119.7°
C11C10H11120.1°119.9°
C11O2C12111.1°117.0°
O2C11C6119.3°120.1°
O2C12C13109.0°109.5°
O2C12H12109.6°109.5°
O2C12H13109.6°109.4°
C13C12H12109.6°109.5°
C13C12H13109.6°109.5°
C12C13H14109.5°109.4°
C12C13H15109.4°109.5°
C12C13H16109.5°109.5°
C7C6C11120.4°119.7°
C7C6C5119.9°120.2°
C6C7H9120.3°120.0°
C11C6C5119.3°120.2°
C6C5N4118.9°119.1°
C6C5N3120.4°119.0°
C5N4C4119.6°120.3°
N4C5N3120.5°121.9°
C5N4H17120.2°119.8°
N4C4O1120.2°120.8°
N4C4C3118.1°118.4°
C4N4H17120.2°119.9°
O1C4C3121.6°120.8°
C5N3C2120.7°121.1°
N3C2C3121.4°119.4°
N3C2C1134.0°133.7°
C4C3C2119.7°118.8°
C4C3N2134.3°134.2°
C2C3N2106.0°107.0°
C3C2C1104.6°107.0°
C3N2C18124.1°126.0°
C3N2N1112.1°107.9°
C18N2N1123.8°126.0°
N2C18H18109.5°109.4°
N2C18H19109.5°109.5°
N2C18H20109.5°109.5°
N2N1C1110.2°109.4°
N1C1C19126.3°125.6°
N1C1C2107.1°108.7°
C19C1C2126.6°125.6°
C1C19C20110.2°109.5°
C1C19H21109.3°109.4°
C1C19H22109.3°109.5°
C19C20C21110.6°109.4°
C20C19H21109.3°109.5°
C20C19H22109.3°109.5°
C19C20H23109.2°109.5°
C19C20H24109.2°109.5°
C21C20H23109.2°109.5°
C21C20H24109.2°109.5°
C20C21H25109.5°109.5°
C20C21H26109.5°109.5°
C20C21H27109.5°109.4°
H1C16H2109.4°109.5°
H1C16H3109.5°109.5°
H2C16H3109.4°109.5°
H5C17H6109.5°109.5°
H5C17H7109.5°109.5°
H6C17H7109.4°109.4°
H12C12H13109.5°109.5°
H14C13H15109.5°109.4°
H14C13H16109.5°109.5°
H15C13H16109.5°109.5°
H18C18H19109.4°109.5°
H18C18H20109.5°109.5°
H19C18H20109.4°109.5°
H21C19H22109.5°109.5°
H23C20H24109.4°109.5°
H25C21H26109.5°109.5°
H25C21H27109.4°109.5°
H26C21H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C16C15C17O6119.2°120.0°
C16C15C17H4118.8°120.0°
C16C15O6H4119.6°119.9°
C16C15O6C14179.2°150.0°
C15C16H1H2120.0°120.0°
C15C16H1H3120.0°119.9°
C15C16H2H3120.0°120.0°
C16C15C17H5180.0°180.0°
C16C15C17H660.0°60.0°
C16C15C17H760.0°60.0°
C17C15O6H4121.2°120.0°
C17C15O6C1459.9°90.0°
C17C15C16H1180.0°60.0°
C17C15C16H260.0°180.0°
C17C15C16H360.0°60.0°
C15C17H5H6120.0°120.1°
C15C17H5H7120.0°120.0°
C15C17H6H7120.0°120.0°
C15O6C14O50.9°0.0°
C15O6C14N5179.7°179.9°
O6C15C16H159.2°180.0°
O6C15C16H260.8°60.0°
O6C15C16H3179.3°60.1°
O6C15C17H560.9°60.0°
O6C15C17H6179.1°180.0°
O6C15C17H759.2°60.0°
O6C14O5N5178.7°180.0°
O6C14N5S1130.1°180.0°
C14O6C15H461.3°30.1°
O6C14N5H849.9°0.0°
O5C14N5S151.1°0.1°
O5C14N5H8128.9°180.0°
C14N5S1H8180.0°179.9°
C14N5S1O4152.9°178.5°
C14N5S1O333.0°48.5°
C14N5S1C888.6°65.0°
N5S1O4O3121.0°123.0°
N5S1O4C8119.8°114.0°
N5S1O3C8121.8°114.1°
N5S1C8C9169.1°90.0°
N5S1C8C717.9°89.8°
O4S1O3C8118.0°122.9°
O4S1C8C971.6°23.5°
O4S1C8C7101.4°156.8°
O4S1N5H827.1°1.6°
O3S1C8C947.0°156.5°
O3S1C8C7140.0°23.8°
O3S1N5H8147.0°131.4°
C9C8S1C7173.0°179.7°
C8C9C10H10180.0°180.0°
C8C9C10C110.1°0.0°
C9C8C7C61.0°0.0°
C9C8C7H9179.0°180.0°
C8C9C10H11179.9°180.0°
S1C8C9C10172.5°180.0°
S1C8C7C6172.0°179.7°
C8S1N5H891.4°115.0°
S1C8C7H98.1°0.3°
S1C8C9H107.5°0.0°
C7C8C9C100.5°0.3°
C8C7C6H9180.0°180.0°
C8C7C6C111.1°0.6°
C8C7C6C5171.8°180.0°
C7C8C9H10179.5°179.7°
C9C10C11H11180.0°180.0°
C9C10C11O2178.1°180.0°
C9C10C11C60.2°0.5°
C10C11O2C6178.3°179.5°
C10C11O2C1226.9°0.0°
C10C11C6C70.7°0.8°
C10C11C6C5172.3°179.7°
C11C10C9H10179.9°180.0°
C11O2C12C13101.7°180.0°
O2C11C6C7177.6°179.7°
O2C11C6C59.4°0.3°
O2C11C10H111.9°0.0°
C11O2C12H1218.2°60.0°
C11O2C12H13138.4°60.0°
O2C12C13H12119.9°120.0°
O2C12C13H13119.9°120.0°
C12O2C11C6154.7°179.5°
O2C12H12H13120.2°120.0°
O2C12C13H14180.0°60.0°
O2C12C13H1560.0°59.9°
O2C12C13H1660.0°180.0°
C13C12H12H13120.2°120.0°
C12C13H14H15120.0°119.9°
C12C13H14H16120.0°120.0°
C12C13H15H16120.0°120.0°
C7C6C11C5173.0°179.4°
C7C6C5N4154.9°0.0°
C7C6C5N320.8°179.8°
C11C6C5N418.2°179.4°
C11C6C5N3166.1°0.8°
C11C6C7H9178.9°179.4°
C6C11C10H11179.8°179.5°
C6C5N4N3175.7°179.8°
C6C5N4C4175.4°180.0°
C6C5N3C2175.3°180.0°
C5C6C7H98.2°0.0°
C6C5N4H174.7°0.0°
C5N4C4H17180.0°180.0°
C5N4C4O1179.4°180.0°
N4C5N3C20.3°0.2°
C5N4C4C30.1°0.0°
N4C4O1C3179.5°180.0°
C4N4C5N30.3°0.2°
N4C4C3C20.1°0.3°
N4C4C3N2179.7°180.0°
O1C4C3C2179.6°179.7°
O1C4C3N20.8°0.0°
O1C4N4H170.7°0.1°
C5N3C2C30.1°0.1°
C5N3C2C1179.7°180.0°
N3C5N4H17179.6°179.8°
N3C2C3C40.1°0.3°
N3C2C3C1179.7°180.0°
N3C2C3N2179.8°179.9°
N3C2C1N1179.7°179.6°
N3C2C1C190.9°0.1°
C4C3C2N2179.7°179.8°
C4C3N2C180.1°0.0°
C4C3N2N1179.5°180.0°
C4C3C2C1179.6°179.8°
C3C4N4H17179.8°180.0°
C2C3N2C18179.8°179.8°
C2C3N2N10.1°0.3°
C3C2C1N10.1°0.3°
C3C2C1C19179.4°179.8°
C3N2C18N1179.6°180.0°
C3N2N1C10.1°0.5°
N2C3C2C10.1°0.0°
C3N2C18H18179.6°90.1°
C3N2C18H1959.6°150.0°
C3N2C18H2060.3°29.9°
C18N2N1C1179.7°179.6°
N2C18H18H19120.0°120.0°
N2C18H18H20120.0°120.0°
N2C18H19H20120.0°120.1°
N2N1C1C19179.4°180.0°
N2N1C1C20.0°0.5°
N1N2C18H180.0°90.0°
N1N2C18H19120.0°30.0°
N1N2C18H20120.0°150.0°
N1C1C19C2179.2°179.4°
N1C1C19C2069.7°89.9°
N1C1C19H21170.2°150.0°
N1C1C19H2250.4°30.0°
C1C19C20H21120.1°120.0°
C1C19C20H22120.1°120.0°
C1C19C20C21116.1°180.0°
C1C19H21H22119.6°120.0°
C1C19C20H23123.7°60.0°
C1C19C20H244.0°60.0°
C2C1C19C20109.6°90.6°
C2C1C19H2110.6°29.4°
C2C1C19H22130.3°149.4°
C19C20C21H23120.2°120.0°
C19C20C21H24120.2°120.0°
C20C19H21H22119.6°120.0°
C19C20H23H24119.5°120.0°
C19C20C21H25180.0°60.0°
C19C20C21H2660.0°60.0°
C19C20C21H2760.0°180.0°
C21C20C19H214.0°60.0°
C21C20C19H22123.8°60.0°
C21C20H23H24119.5°120.0°
C20C21H25H26120.0°120.0°
C20C21H25H27120.0°120.0°
C20C21H26H27120.0°119.9°
H1C16H2H3120.0°120.0°
H1C16C15H461.2°60.0°
H2C16C15H4178.8°60.0°
H3C16C15H458.9°180.0°
H4C15C17H561.2°60.0°
H4C15C17H658.9°60.0°
H4C15C17H7178.8°180.0°
H5C17H6H7120.0°119.9°
H10C9C10H110.1°0.0°
H12C12C13H1460.1°179.9°
H12C12C13H15179.9°60.0°
H12C12C13H1660.0°60.0°
H13C12C13H1460.1°60.0°
H13C12C13H1559.9°179.9°
H13C12C13H16179.9°60.0°
H14C13H15H16120.0°120.0°
H18C18H19H20120.0°120.0°
H21C19C20H23116.2°180.0°
H21C19C20H24124.2°60.0°
H22C19C20H233.6°60.0°
H22C19C20H24116.1°180.0°
H23C20C21H2559.8°180.0°
H23C20C21H26179.8°60.0°
H23C20C21H2760.2°60.0°
H24C20C21H2559.8°60.0°
H24C20C21H2660.2°NaN°
H24C20C21H27179.8°60.0°
H25C21H26H27120.0°120.0°

248942

PDB entries from 2026-02-11

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