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YTS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4N2doub1.32Å1.34ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
N2C3sing1.32Å1.34ÅAromatic
C5C6doub1.38Å1.39ÅAromatic
C3C2doub1.39Å1.40ÅAromatic
C6C2sing1.39Å1.39ÅAromatic
C2N1sing1.40Å1.45Å
O2C10doub1.22Å1.38Å
N1C7sing1.36Å1.34Å
N1C1sing1.35Å1.35Å
C7C8doub1.38Å1.39Å
C10N3sing1.35Å1.34Å
C10C9sing1.47Å1.40Å
N3C12sing1.34Å1.34Å
O1C1doub1.22Å1.41Å
C1C14sing1.42Å1.40Å
C8C9sing1.48Å1.59Å
C8C13sing1.41Å1.39Å
C9C11doub1.36Å1.39Å
C12O3doub1.22Å1.40Å
C12N4sing1.34Å1.34Å
C14C13doub1.38Å1.39Å
C14C15sing1.48Å1.55Å
C11N4sing1.37Å1.33Å
C15C16doub1.39Å1.39ÅAromatic
C15C26sing1.39Å1.40ÅAromatic
C16C17sing1.38Å1.39ÅAromatic
C26C19doub1.39Å1.40ÅAromatic
C24N6sing1.46Å1.43Å
C24C23sing1.53Å1.58Å
C17C18doub1.38Å1.39ÅAromatic
C17CL1sing1.74Å1.79Å
C19C18sing1.39Å1.38ÅAromatic
C19O4sing1.36Å1.42Å
C20O4sing1.43Å1.42Å
C20C21sing1.53Å1.57Å
N6C25sing1.34Å1.37Å
N5C23sing1.47Å1.39Å
N5C22sing1.47Å1.38Å
N5C21sing1.47Å1.27Å
C25C22sing1.50Å1.52Å
C25O5doub1.21Å1.19Å
C3H1sing1.08Å1.08Å
C4H2sing1.08Å1.08Å
C5H3sing1.08Å1.08Å
C6H4sing1.08Å1.08Å
C7H5sing1.08Å1.08Å
C11H7sing1.08Å1.08Å
C13H9sing1.08Å1.08Å
C16H10sing1.08Å1.08Å
C22H16sing1.09Å1.10Å
C22H17sing1.09Å1.10Å
C23H18sing1.09Å1.10Å
C23H19sing1.09Å1.10Å
C24H20sing1.09Å1.10Å
C24H21sing1.09Å1.10Å
C18H11sing1.08Å1.08Å
C20H12sing1.09Å1.10Å
C20H13sing1.09Å1.10Å
C21H14sing1.09Å1.10Å
C21H15sing1.09Å1.10Å
C26H23sing1.08Å1.08Å
N3H6sing0.97Å1.00Å
N4H8sing0.97Å1.00Å
N6H22sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N2C4C5121.1°120.9°
C4N2C3120.6°121.8°
N2C4H2119.4°119.6°
C4C5C6119.4°119.2°
C5C4H2119.5°119.5°
C4C5H3120.3°120.4°
N2C3C2121.0°120.6°
N2C3H1119.5°119.7°
C5C6C2118.8°118.4°
C6C5H3120.3°120.4°
C5C6H4120.6°120.8°
C3C2C6119.2°119.1°
C3C2N1119.3°120.5°
C2C3H1119.5°119.6°
C6C2N1121.5°120.5°
C2C6H4120.6°120.9°
C2N1C7117.2°119.5°
C2N1C1121.7°119.5°
O2C10N3118.7°120.7°
O2C10C9123.1°120.6°
C7N1C1121.1°121.1°
N1C7C8120.3°120.8°
N1C7H5119.9°119.6°
N1C1O1120.1°119.9°
N1C1C14121.0°120.3°
C7C8C9120.0°120.2°
C7C8C13119.9°119.7°
C8C7H5119.9°119.6°
N3C10C9118.2°118.7°
C10N3C12121.2°120.3°
C10N3H6119.4°119.8°
C10C9C8123.9°120.9°
C10C9C11119.1°118.3°
N3C12O3119.1°119.1°
N3C12N4121.4°121.8°
C12N3H6119.4°119.8°
O1C1C14118.9°119.9°
C1C14C13118.5°119.2°
C1C14C15122.0°120.4°
C9C8C13120.2°120.1°
C8C9C11117.0°120.8°
C8C13C14119.2°119.0°
C8C13H9120.4°120.5°
C9C11N4119.9°119.5°
C9C11H7120.1°120.2°
O3C12N4119.5°119.1°
C12N4C11120.3°121.3°
C12N4H8119.9°119.3°
C13C14C15119.4°120.4°
C14C13H9120.4°120.5°
C14C15C16118.3°120.1°
C14C15C26122.2°120.0°
N4C11H7120.1°120.3°
C11N4H8119.8°119.3°
C16C15C26119.5°119.8°
C15C16C17120.4°120.0°
C15C16H10119.8°120.1°
C15C26C19119.2°119.8°
C15C26H23120.4°120.1°
C16C17C18120.3°120.2°
C16C17CL1121.1°119.9°
C17C16H10119.8°119.9°
C26C19C18121.0°120.0°
C26C19O4124.0°120.0°
C19C26H23120.4°120.0°
N6C24C23106.7°110.0°
C24N6C25118.0°123.0°
N6C24H20110.1°109.4°
N6C24H21110.1°109.4°
C24N6H22121.0°118.5°
C24C23N5108.0°108.7°
C24C23H18109.8°109.6°
C24C23H19109.8°109.6°
C23C24H20110.1°109.3°
C23C24H21110.2°109.4°
C18C17CL1118.6°119.9°
C17C18C19119.6°120.2°
C17C18H11120.2°119.9°
C18C19O4115.0°120.0°
C19C18H11120.2°119.9°
C19O4C20121.1°117.0°
O4C20C21104.4°109.5°
O4C20H12110.7°109.5°
O4C20H13110.7°109.5°
C20C21N5114.3°109.4°
C21C20H12110.7°109.4°
C21C20H13110.7°109.5°
C20C21H14108.3°109.5°
C20C21H15108.3°109.5°
N6C25C22120.2°122.7°
N6C25O5118.9°118.7°
C25N6H22121.0°118.5°
C23N5C22112.5°110.2°
C23N5C21110.0°111.0°
N5C23H18109.8°109.5°
N5C23H19109.8°109.8°
C22N5C21111.8°111.0°
N5C22C25116.9°109.9°
N5C22H16107.6°109.4°
N5C22H17107.6°109.4°
N5C21H14108.3°109.4°
N5C21H15108.3°109.5°
C22C25O5120.8°118.6°
C25C22H16107.6°109.4°
C25C22H17107.6°109.3°
H16C22H17109.5°109.4°
H18C23H19109.5°109.6°
H20C24H21109.5°109.3°
H12C20H13109.5°109.4°
H14C21H15109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N2C4C5H2180.0°179.8°
N2C4C5C60.1°0.3°
C4N2C3C20.3°0.1°
C4N2C3H1179.7°180.0°
N2C4C5H3179.9°180.0°
C5C4N2C30.3°0.2°
C4C5C6H3180.0°179.7°
C4C5C6C20.8°0.0°
C4C5C6H4179.2°180.0°
N2C3C2H1180.0°179.9°
N2C3C2C61.3°0.4°
N2C3C2N1179.3°179.9°
C3N2C4H2179.7°180.0°
C5C6C2C31.5°0.3°
C5C6C2H4180.0°180.0°
C5C6C2N1179.4°180.0°
C6C5C4H2179.9°180.0°
C3C2C6N1177.9°179.7°
C3C2N1C7106.0°90.1°
C3C2N1C173.4°89.9°
C3C2C6H4178.5°179.7°
C6C2N1C772.0°90.2°
C6C2N1C1108.6°89.8°
C6C2C3H1178.7°179.7°
C2C6C5H3179.2°179.7°
C2N1C7C1179.4°180.0°
C2N1C7C8179.4°180.0°
C2N1C1O11.0°0.3°
C2N1C1C14178.9°180.0°
N1C2C3H10.8°0.0°
N1C2C6H40.6°0.0°
C2N1C7H50.6°0.1°
O2C10N3C9179.3°179.9°
O2C10N3C12179.7°180.0°
O2C10C9C81.4°0.1°
O2C10C9C11179.1°179.7°
O2C10N3H60.3°0.0°
N1C7C8H5180.0°179.9°
C7N1C1O1179.7°179.8°
C7N1C1C140.5°0.0°
N1C7C8C9179.5°180.0°
N1C7C8C130.4°0.1°
C1N1C7C80.0°0.0°
N1C1O1C14179.9°179.8°
N1C1C14C130.5°0.0°
N1C1C14C15179.5°179.9°
C1N1C7H5180.0°179.9°
C7C8C9C1031.3°120.3°
C7C8C9C13179.9°179.9°
C7C8C9C11146.4°59.9°
C7C8C13C140.4°0.1°
C7C8C13H9179.6°180.0°
C10N3C12H6180.0°180.0°
N3C10C9C8179.4°180.0°
N3C10C9C111.7°0.2°
C10N3C12O3179.9°180.0°
C10N3C12N40.4°0.3°
C9C10N3C121.1°0.1°
C10C9C8C11177.8°179.8°
C10C9C8C13148.8°59.8°
C10C9C11N41.7°0.3°
C10C9C11H7178.4°179.8°
C9C10N3H6179.0°179.9°
N3C12O3N4179.5°179.7°
N3C12N4C110.4°0.3°
N3C12N4H8179.6°179.7°
O1C1C14C13179.6°179.8°
O1C1C14C150.3°0.3°
C1C14C13C80.1°0.0°
C1C14C13C15179.9°179.9°
C1C14C15C16118.5°115.0°
C1C14C15C2661.9°64.7°
C1C14C13H9179.9°180.0°
C9C8C13C14179.5°180.0°
C8C9C11N4179.6°180.0°
C9C8C7H50.6°0.1°
C8C9C11H70.5°0.0°
C9C8C13H90.5°0.1°
C13C8C9C1133.4°120.0°
C8C13C14H9180.0°179.9°
C8C13C14C15180.0°180.0°
C13C8C7H5179.5°180.0°
C9C11N4C121.0°0.0°
C9C11N4H7180.0°180.0°
C9C11N4H8179.0°179.9°
O3C12N4C11179.9°180.0°
O3C12N3H60.1°0.0°
O3C12N4H80.1°0.0°
C12N4C11H8180.0°179.9°
C12N4C11H7179.0°180.0°
N4C12N3H6179.6°179.7°
C13C14C15C1661.5°65.0°
C13C14C15C26118.0°115.3°
C14C15C16C26179.6°179.7°
C14C15C16C17179.8°180.0°
C14C15C26C19179.6°179.7°
C15C14C13H90.0°0.1°
C14C15C16H100.1°0.1°
C14C15C26H230.4°0.0°
C15C16C17H10180.0°180.0°
C16C15C26C190.0°0.6°
C15C16C17C180.2°0.0°
C15C16C17CL1179.8°179.9°
C16C15C26H23180.0°179.7°
C26C15C16C170.3°0.3°
C15C26C19H23180.0°179.7°
C15C26C19C180.3°0.6°
C15C26C19O4178.8°179.7°
C26C15C16H10179.7°179.7°
C16C17C18CL1180.0°179.9°
C16C17C18C190.1°0.0°
C16C17C18H11179.9°180.0°
C26C19C18C170.4°0.3°
C26C19C18O4179.2°179.7°
C26C19O4C207.9°179.7°
C26C19C18H11179.6°179.7°
N6C24C23H20119.5°120.1°
N6C24C23H21119.6°120.2°
C24N6C25H22180.0°179.9°
N6C24C23N567.6°50.4°
C24N6C25C220.7°1.7°
C24N6C25O5179.5°178.3°
N6C24C23H18172.6°170.1°
N6C24C23H1952.1°69.6°
N6C24H20H21121.3°119.7°
C23C24N6C2535.0°18.2°
C24C23N5H18119.8°119.7°
C24C23N5H19119.8°119.9°
C24C23N5C2262.6°69.1°
C24C23N5C21172.1°167.5°
C24C23H18H19120.7°120.3°
C23C24H20H21121.3°119.8°
C23C24N6H22145.0°161.9°
C17C18C19H11180.0°179.9°
C17C18C19O4178.8°179.9°
C18C17C16H10179.8°179.9°
CL1C17C18C19179.9°180.0°
CL1C17C16H100.2°0.0°
CL1C17C18H110.1°0.1°
C18C19O4C20173.0°0.1°
C18C19C26H23179.7°179.7°
C19O4C20C21160.7°180.0°
O4C19C18H111.2°0.0°
C19O4C20H1241.5°60.1°
C19O4C20H1380.1°59.9°
O4C19C26H231.2°0.0°
O4C20C21H12119.2°120.0°
O4C20C21H13119.2°120.1°
O4C20C21N591.2°65.1°
O4C20H12H13122.4°120.0°
O4C20C21H14148.1°175.0°
O4C20C21H1529.5°55.0°
C20C21N5C2375.5°170.0°
C20C21N5C22158.8°67.1°
C20C21N5H14120.7°120.0°
C20C21N5H15120.7°120.0°
C21C20H12H13122.3°120.0°
C20C21H14H15117.8°120.0°
N6C25C22N57.1°17.2°
N6C25C22O5179.8°180.0°
N6C25C22H16114.0°102.9°
N6C25C22H17128.1°137.2°
C25N6C24H2084.6°138.4°
C25N6C24H21154.5°102.0°
C23N5C22C21124.3°123.3°
C23N5C22C2526.2°50.3°
C23N5C22H16147.3°69.8°
C23N5C22H1794.8°170.3°
N5C23H18H19120.6°120.5°
N5C23C24H2051.9°170.5°
N5C23C24H21172.8°69.8°
C23N5C21H14163.8°70.0°
C23N5C21H1545.2°50.0°
N5C22C25H16121.0°120.1°
N5C22C25H17121.1°120.1°
N5C22C25O5172.7°162.8°
N5C22H16H17116.6°119.8°
C22N5C23H18177.6°171.1°
C22N5C23H1957.2°50.7°
C22N5C21H1438.1°52.9°
C22N5C21H1580.5°172.9°
C21N5C22C25150.6°173.6°
C21N5C22H1688.4°53.5°
C21N5C22H1729.5°66.3°
C21N5C23H1852.3°47.8°
C21N5C23H1968.1°72.6°
N5C21C20H1228.0°175.0°
N5C21C20H13149.6°55.0°
N5C21H14H15117.8°120.0°
C25C22H16H17116.6°119.8°
C22C25N6H22179.2°178.4°
O5C25C22H1666.2°77.1°
O5C25C22H1751.7°42.7°
O5C25N6H220.6°1.6°
H2C4C5H30.1°0.3°
H3C5C6H40.9°0.3°
H7C11N4H81.0°0.1°
H18C23C24H2067.9°69.8°
H18C23C24H2153.0°49.9°
H19C23C24H20171.7°50.5°
H19C23C24H2167.4°170.2°
H20C24N6H2295.5°41.7°
H21C24N6H2225.4°77.9°
H12C20C21H1492.7°55.0°
H12C20C21H15148.7°65.0°
H13C20C21H1428.9°64.9°
H13C20C21H1589.7°175.0°

223790

PDB entries from 2024-08-14

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