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CTU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C9C4sing1.53Å1.49Å
C9C8sing1.53Å1.50Å
C4C8sing1.53Å1.52Å
C4C2sing1.51Å1.48Å
O3C29doub1.22Å1.22Å
C2N2sing1.33Å1.39ÅAromatic
C2C1doub1.35Å1.36ÅAromatic
N2C5doub1.33Å1.33ÅAromatic
C3C1sing1.51Å1.48Å
C3C7sing1.51Å1.49Å
C1N1sing1.37Å1.39ÅAromatic
C29N3sing1.35Å1.38Å
C29O2sing1.34Å1.33Å
C12C7doub1.38Å1.39ÅAromatic
C12C15sing1.39Å1.39ÅAromatic
N3C24sing1.39Å1.38Å
C18C15sing1.51Å1.51Å
C18O1sing1.41Å1.42Å
C7C13sing1.38Å1.40ÅAromatic
C5N1sing1.37Å1.39ÅAromatic
C5C10sing1.41Å1.42ÅAromatic
C15C17doub1.38Å1.42ÅAromatic
N1C6sing1.36Å1.36ÅAromatic
O2N4sing1.21Å1.45Å
CL1C10sing1.74Å1.74Å
O1C22sing1.35Å1.36Å
C13C16doub1.38Å1.39ÅAromatic
C10C14doub1.36Å1.36ÅAromatic
C24N4doub1.31Å1.30Å
C24C21sing1.46Å1.42Å
C17C16sing1.40Å1.39ÅAromatic
C17C19sing1.48Å1.47Å
C6C11doub1.35Å1.37ÅAromatic
C21C19doub1.36Å1.37Å
C21C25sing1.51Å1.48Å
C14C11sing1.41Å1.41ÅAromatic
C19C20sing1.48Å1.46Å
C22C20doub1.39Å1.42ÅAromatic
C22C26sing1.39Å1.41ÅAromatic
C20C23sing1.39Å1.39ÅAromatic
C26C28doub1.39Å1.39ÅAromatic
C23C27doub1.38Å1.40ÅAromatic
C28C27sing1.39Å1.38ÅAromatic
C28F1sing1.35Å1.33Å
N3H1sing0.97Å1.00Å
C25H2sing1.09Å1.10Å
C25H3sing1.09Å1.10Å
C25H4sing1.09Å1.10Å
C23H5sing1.08Å1.08Å
C27H6sing1.08Å1.08Å
C26H7sing1.08Å1.08Å
C18H8sing1.09Å1.10Å
C18H9sing1.09Å1.10Å
C12H10sing1.08Å1.08Å
C16H11sing1.08Å1.08Å
C13H12sing1.08Å1.08Å
C3H13sing1.09Å1.10Å
C3H14sing1.09Å1.10Å
C4H15sing1.09Å1.10Å
C9H16sing1.09Å1.10Å
C9H17sing1.09Å1.10Å
C8H18sing1.09Å1.10Å
C8H19sing1.09Å1.10Å
C6H20sing1.08Å1.08Å
C11H21sing1.08Å1.08Å
C14H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4C9C861.2°60.0°
C9C4C859.9°60.0°
C9C4C2119.0°117.5°
C9C4H15115.1°117.6°
C4C9H16119.8°117.5°
C4C9H17119.8°117.5°
C9C8C458.9°60.0°
C8C9H16119.8°117.5°
C8C9H17119.8°117.5°
C9C8H18120.2°117.5°
C9C8H19120.2°117.5°
C8C4C2122.0°117.5°
C8C4H15114.5°117.5°
C4C8H18120.2°117.5°
C4C8H19120.2°117.5°
C4C2N2126.3°125.7°
C4C2C1121.1°125.7°
C2C4H15115.1°115.6°
O3C29N3127.7°126.8°
O3C29O2123.9°126.8°
N2C2C1112.5°108.6°
C2N2C5103.6°109.2°
C2C1C3128.7°126.4°
C2C1N1105.7°107.1°
N2C5N1112.4°108.1°
N2C5C10131.3°132.3°
C1C3C7117.6°109.5°
C3C1N1125.6°126.5°
C1C3H13107.4°109.5°
C1C3H14107.4°109.5°
C3C7C12118.5°119.9°
C3C7C13122.4°120.1°
C7C3H13107.4°109.4°
C7C3H14107.4°109.5°
C1N1C5105.8°107.0°
C1N1C6130.6°132.5°
N3C29O2108.4°106.4°
C29N3C24106.0°104.3°
C29N3H1127.0°127.9°
C29O2N4108.2°111.0°
C7C12C15121.2°121.3°
C12C7C13119.2°120.0°
C7C12H10119.4°119.3°
C12C15C18119.2°115.1°
C12C15C17119.2°118.6°
C15C12H10119.4°119.3°
N3C24N4112.1°106.8°
N3C24C21120.5°126.6°
C24N3H1127.0°127.8°
C15C18O1111.5°114.9°
C18C15C17121.6°126.3°
C15C18H8109.0°108.4°
C15C18H9109.0°108.4°
C18O1C22121.9°120.7°
O1C18H8109.0°108.2°
O1C18H9109.0°108.6°
C7C13C16120.2°119.4°
C7C13H12119.9°120.3°
N1C5C10116.3°119.6°
C5N1C6123.7°120.5°
C5C10CL1115.6°120.4°
C5C10C14120.8°119.3°
C15C17C16119.3°119.9°
C15C17C19118.5°124.0°
N1C6C11119.1°120.6°
N1C6H20120.5°119.7°
O2N4C24105.3°111.4°
CL1C10C14123.6°120.3°
O1C22C20128.8°119.7°
O1C22C26111.0°120.8°
C13C16C17121.0°120.7°
C13C16H11119.5°119.6°
C16C13H12119.9°120.3°
C10C14C11120.6°119.6°
C10C14H22119.7°120.2°
N4C24C21127.2°126.6°
C24C21C19119.3°120.0°
C24C21C25110.7°120.0°
C16C17C19122.2°116.2°
C17C16H11119.5°119.7°
C17C19C21122.3°119.5°
C17C19C20110.2°120.9°
C6C11C14119.5°120.3°
C11C6H20120.5°119.7°
C6C11H21120.2°119.8°
C19C21C25130.0°120.0°
C21C19C20127.5°119.6°
C21C25H2109.5°109.5°
C21C25H3109.5°109.5°
C21C25H4109.5°109.5°
C14C11H21120.3°119.9°
C11C14H22119.7°120.2°
C19C20C22125.4°117.2°
C19C20C23115.6°121.9°
C20C22C26120.2°119.5°
C22C20C23118.8°120.9°
C22C26C28119.1°119.5°
C22C26H7120.5°120.3°
C20C23C27121.0°119.2°
C20C23H5119.5°120.4°
C26C28C27121.4°120.8°
C26C28F1121.0°119.6°
C28C26H7120.5°120.2°
C23C27C28119.5°120.1°
C27C23H5119.5°120.4°
C23C27H6120.2°119.9°
C27C28F1117.6°119.6°
C28C27H6120.3°120.0°
H2C25H3109.5°109.4°
H2C25H4109.5°109.5°
H3C25H4109.4°109.5°
H8C18H9109.4°108.2°
H13C3H14109.5°109.4°
H16C9H17109.4°115.6°
H18C8H19109.5°115.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4C9C8H16109.8°107.5°
C4C9C8H17109.8°107.4°
C9C4C8C2107.4°107.5°
C9C4C8H15106.0°107.6°
C9C4C2H15142.8°145.8°
C9C4C2N21.8°8.5°
C9C4C2C1179.7°171.3°
C4C9H16H17144.1°145.7°
C4C9C8H18109.2°107.5°
C4C9C8H19109.1°107.5°
C8C9H16H17144.1°145.7°
C9C8H18H19145.4°145.7°
C8C4C2H15146.4°145.7°
C8C4C2N272.6°60.0°
C8C4C2C1109.5°120.1°
C4C8H18H19145.4°145.6°
C4C2N2C1178.0°179.9°
C4C2N2C5178.8°179.9°
C4C2C1C30.9°0.0°
C4C2C1N1179.3°179.8°
C2C4C9H162.5°0.0°
C2C4C9H17137.9°145.0°
C2C4C8H181.7°145.0°
C2C4C8H19143.4°0.0°
O3C29N3O2179.5°179.8°
O3C29N3C24179.3°180.0°
O3C29O2N4179.1°180.0°
O3C29N3H10.7°0.1°
N2C2C1C3179.0°180.0°
N2C2C1N11.1°0.3°
C2N2C5N10.1°0.0°
C2N2C5C10179.0°179.7°
N2C2C4H15141.0°154.3°
C1C2N2C50.8°0.2°
C2C1C3N1179.8°179.7°
C2C1C3C791.5°89.7°
C2C1N1C51.0°0.3°
C2C1N1C6178.8°179.7°
C2C1C3H1329.7°150.3°
C2C1C3H14147.3°30.3°
C1C2C4H1536.9°25.6°
N2C5N1C10.6°0.2°
N2C5N1C10179.2°179.8°
N2C5N1C6179.3°179.9°
N2C5C10CL11.6°0.3°
N2C5C10C14180.0°179.8°
C1C3C7H13121.2°120.0°
C1C3C7H14121.2°120.1°
C1C3C7C12169.2°90.0°
C1C3C7C1311.4°90.0°
C3C1N1C5179.1°180.0°
C3C1N1C61.0°0.0°
C1C3H13H14116.3°120.0°
C7C3C1N188.3°90.0°
C3C7C12C13179.4°180.0°
C3C7C12C15179.3°180.0°
C3C7C13C16179.5°179.8°
C3C7C12H100.7°0.0°
C3C7C13H120.5°0.1°
C7C3H13H14116.3°120.0°
C1N1C5C6179.9°180.0°
C1N1C5C10179.8°180.0°
C1N1C6C11179.7°180.0°
N1C1C3H13150.5°30.0°
N1C1C3H1432.9°150.0°
C1N1C6H200.3°0.1°
C29N3C24H1180.0°179.9°
N3C29O2N41.3°0.2°
C29N3C24N40.6°0.2°
C29N3C24C21175.6°180.0°
O2C29N3C241.2°0.2°
C29O2N4C240.9°0.1°
O2C29N3H1178.8°179.8°
C7C12C15H10180.0°180.0°
C7C12C15C18179.0°179.9°
C7C12C15C170.4°0.3°
C12C7C13C161.1°0.3°
C12C7C13H12178.8°179.9°
C12C7C3H1348.1°150.0°
C12C7C3H1469.6°30.0°
C12C15C18C17178.5°179.8°
C12C15C18O1109.8°168.2°
C15C12C7C131.3°0.0°
C12C15C17C160.6°0.4°
C12C15C17C19178.8°180.0°
C12C15C18H8129.9°70.6°
C12C15C18H910.5°46.5°
N3C24N4O20.2°0.1°
N3C24N4C21174.6°179.8°
N3C24C21C1988.1°114.8°
N3C24C21C2592.2°65.2°
C15C18O1H8120.3°121.3°
C15C18O1H9120.3°121.6°
C15C18O1C2252.2°69.9°
C18C15C17C16177.9°179.8°
C18C15C17C190.3°0.2°
C15C18H8H9119.1°117.3°
C18C15C12H101.0°0.1°
O1C18C15C1768.7°11.6°
C18O1C22C203.0°72.3°
C18O1C22C26179.4°105.9°
O1C18H8H9119.0°117.4°
C7C13C16H12180.0°179.9°
C7C13C16C170.1°0.2°
C13C7C12H10178.7°180.0°
C7C13C16H11179.9°179.8°
C13C7C3H13132.5°30.0°
C13C7C3H14109.8°149.9°
N1C5C10CL1179.4°180.0°
N1C5C10C140.9°0.0°
C5N1C6C110.1°0.0°
C5N1C6H20179.8°179.9°
C10C5N1C60.1°0.0°
C5C10CL1C14178.4°180.0°
C5C10C14C111.9°0.0°
C5C10C14H22178.1°180.0°
C15C17C16C130.8°0.2°
C15C17C16C19178.1°179.7°
C15C17C19C21115.6°137.6°
C15C17C19C2064.8°42.1°
C17C15C18H851.6°109.6°
C17C15C18H9171.0°133.2°
C17C15C12H10179.5°179.7°
C15C17C16H11179.3°179.9°
N1C6C11H20180.0°179.9°
N1C6C11C141.0°0.0°
N1C6C11H21178.9°179.9°
O2N4C24C21174.4°179.9°
CL1C10C14C11179.8°179.9°
CL1C10C14H220.2°0.1°
O1C22C20C194.5°3.2°
O1C22C20C26177.4°178.3°
O1C22C20C23179.6°177.1°
O1C22C26C28179.3°177.4°
O1C22C26H70.7°2.6°
C22O1C18H868.1°51.4°
C22O1C18H9172.6°168.5°
C13C16C17H11180.0°180.0°
C13C16C17C19178.9°179.8°
C10C14C11C61.9°0.0°
C10C14C11H22180.0°180.0°
C10C14C11H21178.1°179.9°
N4C24C21C1986.1°65.4°
N4C24C21C2593.6°114.6°
N4C24N3H1179.4°179.9°
C24C21C19C171.9°5.8°
C24C21C19C25179.6°180.0°
C24C21C19C20177.6°173.9°
C21C24N3H14.4°0.1°
C24C21C25H2180.0°90.0°
C24C21C25H360.0°150.0°
C24C21C25H460.0°30.0°
C16C17C19C2166.2°42.7°
C16C17C19C20113.3°137.6°
C17C16C13H12179.9°180.0°
C17C19C21C20179.5°179.7°
C17C19C21C25178.5°174.2°
C17C19C20C2251.4°59.6°
C17C19C20C23123.9°120.7°
C19C17C16H111.1°0.2°
C6C11C14H21180.0°179.9°
C6C11C14H22178.1°180.0°
C21C19C20C22129.1°120.2°
C21C19C20C2355.7°59.6°
C19C21C25H20.3°89.9°
C19C21C25H3119.6°30.0°
C19C21C25H4120.4°150.0°
C25C21C19C202.0°6.1°
C21C25H2H3120.0°120.0°
C21C25H2H4120.0°120.0°
C21C25H3H4120.0°120.0°
C14C11C6H20178.9°179.9°
C19C20C22C23175.1°179.8°
C19C20C22C26178.0°178.5°
C19C20C23C27178.4°179.0°
C19C20C23H51.6°1.0°
C20C22C26C281.5°0.9°
C22C20C23C272.8°0.7°
C22C20C23H5177.1°179.2°
C20C22C26H7178.5°179.1°
C26C22C20C232.9°1.2°
C22C26C28H7180.0°180.0°
C22C26C28C270.2°0.1°
C22C26C28F1179.7°179.9°
C20C23C27H5180.0°179.9°
C20C23C27C281.2°0.1°
C20C23C27H6178.8°179.9°
C26C28C27C230.3°0.4°
C26C28C27F1179.5°180.0°
C26C28C27H6179.7°179.6°
C23C27C28H6180.0°179.9°
C23C27C28F1179.9°179.6°
C28C27C23H5178.8°180.0°
C27C28C26H7179.8°179.9°
F1C28C27H60.1°0.5°
F1C28C26H70.3°0.1°
H2C25H3H4120.0°120.0°
H5C23C27H61.2°0.1°
H11C16C13H120.2°0.0°
H15C4C9H16145.3°145.0°
H15C4C9H174.9°0.0°
H15C4C8H18144.9°0.0°
H15C4C8H193.2°144.9°
H16C9C8H180.6°145.0°
H16C9C8H19141.1°0.0°
H17C9C8H18141.0°0.0°
H17C9C8H190.7°145.1°
H20C6C11H211.1°0.0°
H21C11C14H221.9°0.1°

226262

PDB entries from 2024-10-16

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