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WYX

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C21N2sing1.46Å1.47Å
C10N3doub1.33Å1.32ÅAromatic
C10C9sing1.39Å1.38ÅAromatic
N2C9sing1.39Å1.43Å
N2C8sing1.32Å1.36Å
O1C8doub1.22Å1.25Å
N3C11sing1.32Å1.35ÅAromatic
C9C12doub1.40Å1.41ÅAromatic
C8C7sing1.47Å1.50Å
C11N5sing1.39Å1.39Å
C11N4doub1.33Å1.34ÅAromatic
N5C13sing1.41Å1.40Å
C12N4sing1.33Å1.35ÅAromatic
C12N1sing1.39Å1.35Å
C7C6doub1.40Å1.41ÅAromatic
C7C2sing1.40Å1.40ÅAromatic
C6C5sing1.38Å1.38ÅAromatic
N1C2sing1.39Å1.46Å
N1C1sing1.47Å1.46Å
C2C3doub1.39Å1.40ÅAromatic
C13C14doub1.36Å1.38ÅAromatic
C13C15sing1.40Å1.39ÅAromatic
C14N6sing1.36Å1.34ÅAromatic
C5C4doub1.39Å1.37ÅAromatic
C15N7doub1.31Å1.33ÅAromatic
C3C4sing1.38Å1.39ÅAromatic
N6N7sing1.40Å1.36ÅAromatic
N6C16sing1.46Å1.49Å
C18C17sing1.53Å1.52Å
C18N8sing1.47Å1.47Å
C20C16sing1.53Å1.53Å
C20C19sing1.53Å1.53Å
C17C16sing1.53Å1.54Å
N8C19sing1.47Å1.47Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
C1H3sing1.09Å1.10Å
C3H4sing1.08Å1.08Å
C4H5sing1.08Å1.08Å
C5H6sing1.08Å1.08Å
C6H7sing1.08Å1.08Å
C10H8sing1.08Å1.08Å
C14H10sing1.08Å1.08Å
C15H11sing1.08Å1.08Å
C17H13sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
N5H9sing0.97Å1.00Å
C16H12sing1.09Å1.10Å
N8H17sing1.01Å1.00Å
C19H19sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21N2C9116.1°116.6°
C21N2C8118.2°116.6°
N2C21H23109.5°109.4°
N2C21H24109.5°109.5°
N2C21H22109.5°109.5°
N3C10C9123.7°119.2°
C10N3C11115.1°121.0°
N3C10H8118.2°120.4°
C10C9N2120.6°119.8°
C10C9C12117.8°118.1°
C9C10H8118.1°120.4°
C9N2C8125.6°126.8°
N2C9C12121.4°122.0°
N2C8O1121.3°117.2°
N2C8C7120.1°125.6°
O1C8C7118.3°117.2°
N3C11N5114.8°119.2°
N3C11N4125.6°121.7°
C9C12N4118.7°119.3°
C9C12N1125.7°120.6°
C8C7C6116.5°119.8°
C8C7C2123.9°120.8°
N5C11N4119.4°119.1°
C11N5C13127.6°120.0°
C11N5H9116.2°120.0°
C11N4C12118.8°120.6°
N5C13C14124.1°126.1°
N5C13C15131.0°126.1°
C13N5H9116.2°120.0°
N4C12N1115.5°120.0°
C12N1C2114.3°119.1°
C12N1C1122.5°120.5°
C6C7C2118.7°119.4°
C7C6C5121.4°120.0°
C7C6H7119.3°120.0°
C7C2N1121.6°120.4°
C7C2C3118.5°119.8°
C6C5C4119.7°120.4°
C6C5H6120.2°119.8°
C5C6H7119.3°120.0°
C2N1C1116.0°120.4°
N1C2C3119.6°119.8°
N1C1H1109.5°109.5°
N1C1H2109.5°109.4°
N1C1H3109.5°109.5°
C2C3C4121.6°120.1°
C2C3H4119.2°120.0°
C14C13C15104.8°107.9°
C13C14N6107.4°107.5°
C13C14H10126.3°126.2°
C13C15N7111.3°108.4°
C13C15H11124.3°125.8°
C14N6N7110.9°107.9°
C14N6C16130.7°126.1°
N6C14H10126.3°126.2°
C5C4C3119.7°120.2°
C5C4H5120.2°119.9°
C4C5H6120.2°119.8°
C15N7N6105.6°108.4°
N7C15H11124.4°125.8°
C4C3H4119.2°119.9°
C3C4H5120.1°119.9°
N7N6C16118.4°126.1°
N6C16C20111.4°109.5°
N6C16C17112.5°109.5°
N6C16H12106.9°109.6°
C17C18N8114.0°109.5°
C18C17C16112.3°109.3°
C18C17H13108.8°109.5°
C18C17H14108.8°109.6°
C17C18H15108.3°109.5°
C17C18H16108.3°109.5°
C18N8C19113.6°111.1°
N8C18H15108.3°109.4°
N8C18H16108.3°109.5°
C18N8H17108.5°111.0°
C16C20C19112.1°109.3°
C20C16C17112.7°109.1°
C16C20H20108.8°109.5°
C16C20H21108.8°109.5°
C20C16H12106.4°109.5°
C20C19N8115.2°109.6°
C19C20H20108.8°109.5°
C19C20H21108.8°109.5°
C20C19H19108.0°109.5°
C20C19H18108.0°109.5°
C16C17H13108.8°109.5°
C16C17H14108.7°109.5°
C17C16H12106.3°109.5°
C19N8H17108.4°111.0°
N8C19H19108.0°109.5°
N8C19H18108.0°109.4°
H1C1H2109.5°109.4°
H1C1H3109.4°109.5°
H2C1H3109.5°109.4°
H13C17H14109.4°109.5°
H15C18H16109.4°109.5°
H20C20H21109.5°109.5°
H19C19H18109.5°109.4°
H23C21H24109.5°109.5°
H23C21H22109.5°109.4°
H24C21H22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21N2C9C1034.5°38.5°
C21N2C9C8176.1°179.9°
C21N2C8O12.3°0.3°
C21N2C9C12140.3°139.5°
C21N2C8C7176.2°179.6°
N2C21H23H24120.0°120.0°
N2C21H23H22120.0°120.0°
N2C21H24H22120.0°120.1°
N3C10C9H8180.0°179.9°
N3C10C9N2179.7°176.8°
N3C10C9C124.8°1.3°
C10N3C11N5177.9°179.2°
C10N3C11N46.9°0.8°
C10C9N2C12174.7°178.0°
C10C9N2C8141.6°141.6°
C9C10N3C116.8°0.1°
C10C9C12N42.3°2.1°
C10C9C12N1177.9°175.8°
C9N2C8O1173.7°179.8°
C9N2C8C70.2°0.3°
N2C9C12N4177.1°175.9°
N2C9C12N17.2°6.2°
N2C9C10H80.3°3.3°
C9N2C21H23180.0°90.0°
C9N2C21H2460.0°150.0°
C9N2C21H2260.0°29.9°
N2C8O1C7174.0°179.9°
C8N2C9C1243.7°40.4°
N2C8C7C6145.6°141.6°
N2C8C7C245.4°38.9°
C8N2C21H233.6°90.0°
C8N2C21H24116.4°30.0°
C8N2C21H22123.6°150.0°
O1C8C7C628.5°38.4°
O1C8C7C2140.5°141.1°
N3C11N5N4175.5°180.0°
N3C11N5C13177.1°0.0°
N3C11N4C124.9°0.0°
C11N3C10H8173.2°180.0°
N3C11N5H92.9°180.0°
C9C12N4C112.3°1.4°
C9C12N4N1176.1°177.9°
C9C12N1C257.4°60.1°
C9C12N1C1153.3°119.9°
C12C9C10H8175.2°178.6°
C8C7C6C2169.5°179.5°
C8C7C6C5173.8°178.2°
C8C7C2N112.3°3.9°
C8C7C2C3174.2°177.8°
C8C7C6H76.2°1.7°
C11N5C13H9180.0°180.0°
N5C11N4C12179.9°180.0°
C11N5C13C14172.5°180.0°
C11N5C13C1510.6°0.1°
N4C11N5C137.4°180.0°
C11N4C12N1178.4°176.5°
N4C11N5H9172.6°0.0°
N5C13C14C15177.6°179.9°
N5C13C14N6177.9°180.0°
N5C13C15N7178.8°179.7°
N5C13C14H102.1°0.3°
N5C13C15H111.2°0.1°
N4C12N1C2118.4°117.8°
N4C12N1C130.9°62.2°
C12N1C2C754.2°60.6°
C12N1C2C1151.4°180.0°
C12N1C2C3119.2°117.7°
C12N1C1H1180.0°89.9°
C12N1C1H260.0°30.0°
C12N1C1H360.0°150.0°
C7C6C5H7180.0°179.9°
C6C7C2N1179.0°176.6°
C6C7C2C35.5°1.7°
C7C6C5C40.8°0.0°
C7C6C5H6179.2°180.0°
C2C7C6C54.3°1.3°
C7C2N1C3173.4°178.3°
C7C2N1C1154.4°119.4°
C7C2C3C42.0°0.8°
C7C2C3H4178.0°179.2°
C2C7C6H7175.8°178.7°
C6C5C4H6180.0°180.0°
C6C5C4C34.4°0.9°
C6C5C4H5175.6°179.2°
N1C2C3C4175.7°177.5°
C2N1C1H131.2°90.1°
C2N1C1H2151.2°150.0°
C2N1C1H388.8°30.0°
N1C2C3H44.3°2.5°
C1N1C2C332.2°62.3°
N1C1H1H2120.0°120.0°
N1C1H1H3120.0°120.1°
N1C1H2H3120.0°120.0°
C2C3C4C53.0°0.5°
C2C3C4H4180.0°179.9°
C2C3C4H5177.0°179.6°
C13C14N6H10180.0°179.7°
C14C13C15N71.4°0.2°
C13C14N6N70.9°0.2°
C13C14N6C16178.6°179.7°
C14C13C15H11178.5°179.9°
C14C13N5H97.5°0.0°
C15C13C14N60.3°0.0°
C13C15N7H11180.0°179.6°
C13C15N7N61.9°0.4°
C15C13C14H10179.7°179.8°
C15C13N5H9169.4°180.0°
C14N6N7C151.7°0.4°
C14N6N7C16178.0°180.0°
C14N6C16C2076.0°34.7°
C14N6C16C1751.8°85.0°
C14N6C16H12168.2°154.8°
C5C4C3H5180.0°179.9°
C5C4C3H4177.0°179.5°
C4C5C6H7179.2°180.0°
C15N7N6C16179.7°179.6°
C3C4C5H6175.6°179.1°
N7N6C16C20101.6°145.3°
N7N6C16C17130.7°95.0°
N7N6C14H10179.1°180.0°
N6N7C15H11178.1°180.0°
N7N6C16H1214.2°25.1°
N6C16C17C18123.9°177.6°
N6C16C20C17127.6°119.9°
N6C16C20H12116.2°120.2°
N6C16C20C19172.7°177.5°
N6C16C17H12116.8°120.2°
C16N6C14H101.4°0.0°
N6C16C17H13115.7°62.5°
N6C16C17H143.4°57.5°
N6C16C20H2066.9°62.5°
N6C16C20H2152.3°57.6°
C17C18N8H15120.7°120.0°
C17C18N8H16120.7°120.0°
C18C17C16C203.2°57.7°
C18C17C16H13120.5°119.9°
C18C17C16H14120.5°120.0°
C17C18N8C1949.3°61.7°
C18C17H13H14118.7°120.2°
C17C18H15H16117.9°120.0°
C18C17C16H12119.4°62.2°
C17C18N8H17169.9°62.3°
C18N8C19C201.9°61.7°
N8C18C17C1651.8°59.2°
C18N8C19H17120.6°124.0°
N8C18C17H1368.6°179.1°
N8C18C17H14172.2°60.8°
N8C18H15H16117.9°119.9°
C18N8C19H19118.9°58.3°
C18N8C19H18122.8°178.2°
C16C20C19H20120.4°120.0°
C16C20C19H21120.4°120.0°
C20C16C17H12116.2°119.9°
C16C20C19N849.4°59.2°
C20C16C17H13117.3°177.6°
C20C16C17H14123.6°62.3°
C16C20H20H21118.8°120.1°
C16C20C19H1971.4°60.9°
C16C20C19H18170.2°179.2°
C19C20C16C1745.0°57.7°
C20C19N8H19120.8°120.1°
C20C19N8H18120.8°120.1°
C19C20H20H21118.8°120.1°
C19C20C16H1271.2°62.2°
C20C19N8H17118.7°62.3°
C20C19H19H18117.4°120.0°
C16C17H13H14118.7°120.1°
C16C17C18H1568.9°179.2°
C16C17C18H16172.5°60.8°
C17C16C20H20165.4°177.6°
C17C16C20H2175.4°62.3°
C19N8C18H1571.4°178.3°
C19N8C18H16170.0°58.3°
N8C19C20H20169.8°179.2°
N8C19C20H2171.0°60.8°
N8C19H19H18117.4°119.9°
H1C1H2H3120.0°120.0°
H4C3C4H53.0°0.4°
H5C4C5H64.4°0.9°
H6C5C6H70.8°0.0°
H13C17C18H15170.7°60.9°
H13C17C18H1652.0°59.1°
H13C17C16H121.1°57.7°
H14C17C18H1551.6°59.2°
H14C17C18H1667.1°179.2°
H14C17C16H12120.2°177.8°
H15C18N8H1749.2°57.7°
H16C18N8H1769.4°177.7°
H20C20C16H1249.3°57.7°
H20C20C19H1949.0°59.1°
H20C20C19H1869.4°60.8°
H21C20C16H12168.5°177.8°
H21C20C19H19168.2°179.2°
H21C20C19H1849.9°59.3°
H17N8C19H19120.5°177.6°
H17N8C19H182.1°57.8°
H23C21H24H22120.0°120.0°

225946

PDB entries from 2024-10-09

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