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OQO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N5C4sing1.39Å1.42Å
C4N3doub1.32Å1.36ÅAromatic
C4C6sing1.39Å1.40ÅAromatic
N3C2sing1.32Å1.36ÅAromatic
C6C7doub1.38Å1.39ÅAromatic
C1C2sing1.51Å1.51Å
C2C8doub1.39Å1.38ÅAromatic
C7C8sing1.40Å1.41ÅAromatic
C8C9sing1.49Å1.47Å
C9C13doub1.36Å1.36ÅAromatic
C9C10sing1.41Å1.43ÅAromatic
N38N37doub1.29Å1.33ÅAromatic
N38N34sing1.41Å1.35ÅAromatic
O25N24sing1.42Å1.28Å
N37N36sing1.28Å1.37ÅAromatic
C13N12sing1.35Å1.35ÅAromatic
C10N11doub1.31Å1.38ÅAromatic
C32C31doub1.38Å1.40ÅAromatic
C32C33sing1.39Å1.39ÅAromatic
C23N24doub1.32Å1.35ÅAromatic
C23C22sing1.39Å1.38ÅAromatic
C31C29sing1.38Å1.42ÅAromatic
C33N34sing1.40Å1.40Å
C33C26doub1.40Å1.41ÅAromatic
N34C35sing1.35Å1.35ÅAromatic
N24C19sing1.32Å1.33ÅAromatic
C29CL30sing1.74Å1.71Å
C29C27doub1.38Å1.38ÅAromatic
C26C27sing1.39Å1.40ÅAromatic
C26C22sing1.48Å1.49Å
N36C35doub1.31Å1.32ÅAromatic
C27F28sing1.35Å1.39Å
N12N11sing1.40Å1.36ÅAromatic
N12C14sing1.47Å1.47Å
C22C21doub1.40Å1.39ÅAromatic
C19C14sing1.51Å1.52Å
C19C20doub1.38Å1.38ÅAromatic
C14C15sing1.53Å1.54Å
C21C20sing1.39Å1.40ÅAromatic
C17C16sing1.53Å1.52Å
C17C18sing1.53Å1.52Å
C15C16sing1.53Å1.52Å
C16C18sing1.53Å1.52Å
C21H1sing1.08Å1.08Å
C7H2sing1.08Å1.08Å
C32H3sing1.08Å1.08Å
C31H4sing1.08Å1.08Å
C20H5sing1.08Å1.08Å
C6H6sing1.08Å1.08Å
C10H7sing1.08Å1.08Å
C13H8sing1.08Å1.08Å
C23H9sing1.08Å1.08Å
C35H10sing1.08Å1.08Å
C17H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C1H16sing1.09Å1.10Å
C1H17sing1.09Å1.10Å
C1H18sing1.09Å1.10Å
C15H19sing1.09Å1.10Å
C15H20sing1.09Å1.10Å
C14H21sing1.09Å1.10Å
N5H22sing0.97Å1.00Å
N5H23sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N5C4N3118.8°119.6°
N5C4C6119.3°119.6°
C4N5H22109.5°120.0°
C4N5H23109.5°120.0°
N3C4C6121.9°120.8°
C4N3C2119.2°121.8°
C4C6C7117.5°119.2°
C4C6H6121.2°120.4°
N3C2C1115.6°119.7°
N3C2C8122.9°120.6°
C6C7C8121.4°118.4°
C6C7H2119.3°120.8°
C7C6H6121.3°120.4°
C1C2C8121.5°119.6°
C2C1H16109.5°109.5°
C2C1H17109.5°109.5°
C2C1H18109.4°109.5°
C2C8C7117.0°119.1°
C2C8C9124.1°120.4°
C7C8C9118.9°120.4°
C8C7H2119.3°120.8°
C8C9C13118.0°126.2°
C8C9C10137.2°126.2°
C13C9C10104.8°107.6°
C9C13N12106.5°107.6°
C9C13H8126.8°126.2°
C9C10N11112.0°108.1°
C9C10H7124.0°125.9°
N37N38N34104.2°106.7°
N38N37N36111.8°110.3°
N38N34C33120.5°127.4°
N38N34C35109.9°105.2°
O25N24C23117.2°119.1°
O25N24C19121.9°119.1°
N37N36C35105.3°110.6°
C13N12N11115.5°108.2°
C13N12C14119.7°125.9°
N12C13H8126.8°126.3°
C10N11N12101.2°108.6°
N11C10H7124.0°125.9°
C31C32C33118.5°120.1°
C32C31C29120.3°120.3°
C31C32H3120.7°119.9°
C32C31H4119.8°119.9°
C32C33N34116.2°120.1°
C32C33C26122.5°119.8°
C33C32H3120.8°120.0°
N24C23C22121.6°120.6°
C23N24C19120.8°121.8°
N24C23H9119.2°119.7°
C23C22C26120.8°120.5°
C23C22C21118.9°118.9°
C22C23H9119.2°119.7°
C31C29CL30122.2°119.9°
C31C29C27119.6°120.2°
C29C31H4119.8°119.8°
N34C33C26120.9°120.1°
C33N34C35129.6°127.4°
C33C26C27117.5°119.7°
C33C26C22124.3°120.1°
N34C35N36108.8°107.3°
N34C35H10125.6°126.4°
N24C19C14113.7°119.5°
N24C19C20119.6°121.1°
CL30C29C27118.1°119.9°
C29C27C26121.4°119.9°
C29C27F28121.0°120.1°
C27C26C22118.2°120.2°
C26C27F28117.5°120.1°
C26C22C21120.3°120.6°
N36C35H10125.6°126.3°
N11N12C14124.8°125.9°
N12C14C19115.1°109.4°
N12C14C15106.8°109.4°
N12C14H21106.5°109.5°
C22C21C20117.9°118.3°
C22C21H1121.1°120.9°
C14C19C20126.7°119.5°
C19C14C15116.2°109.5°
C19C14H21105.8°109.5°
C19C20C21121.2°119.3°
C19C20H5119.4°120.4°
C14C15C16113.0°109.4°
C14C15H19108.6°109.5°
C14C15H20108.6°109.5°
C15C14H21105.6°109.5°
C20C21H1121.1°120.8°
C21C20H5119.4°120.3°
C16C17C1860.2°60.0°
C17C16C15119.6°117.5°
C17C16C1859.8°60.0°
C16C17H11120.0°117.5°
C16C17H12120.0°117.5°
C17C16H15115.8°117.5°
C17C18C1660.0°60.0°
C18C17H11120.0°117.5°
C18C17H12120.0°117.5°
C17C18H13120.0°117.5°
C17C18H14120.0°117.4°
C15C16C18118.3°117.5°
C15C16H15115.9°115.6°
C16C15H19108.6°109.5°
C16C15H20108.6°109.4°
C16C18H13120.0°117.6°
C16C18H14120.0°117.5°
C18C16H15115.8°117.4°
H11C17H12109.4°115.5°
H13C18H14109.5°115.6°
H16C1H17109.4°109.4°
H16C1H18109.5°109.5°
H17C1H18109.5°109.5°
H19C15H20109.5°109.5°
H22N5H23109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N5C4N3C6178.4°179.3°
N5C4N3C2179.9°180.0°
N5C4C6C7179.5°179.7°
N5C4C6H60.5°0.2°
C4N5H22H23120.0°180.0°
N3C4C6C72.1°0.4°
C4N3C2C1179.4°179.5°
C4N3C2C80.8°0.5°
N3C4C6H6177.9°179.5°
N3C4N5H220.0°0.0°
N3C4N5H23120.0°180.0°
C6C4N3C21.7°0.7°
C4C6C7H6180.0°179.9°
C4C6C7C81.5°0.1°
C4C6C7H2178.5°179.8°
C6C4N5H22178.5°179.3°
C6C4N5H2358.5°0.7°
N3C2C1C8179.8°180.0°
N3C2C8C70.2°0.0°
N3C2C8C9179.9°180.0°
N3C2C1H160.0°90.0°
N3C2C1H17120.0°30.0°
N3C2C1H18120.0°150.0°
C6C7C8C20.6°0.3°
C6C7C8H2180.0°179.7°
C6C7C8C9179.5°179.7°
C1C2C8C7180.0°180.0°
C1C2C8C90.1°0.0°
C2C1H16H17120.0°120.0°
C2C1H16H18120.0°120.0°
C2C1H17H18120.0°120.0°
C2C8C7C9179.9°180.0°
C2C8C9C13159.3°130.0°
C2C8C9C1023.3°50.0°
C2C8C7H2179.4°180.0°
C8C2C1H16179.8°90.0°
C8C2C1H1760.2°150.0°
C8C2C1H1859.8°30.0°
C7C8C9C1320.8°50.0°
C7C8C9C10156.6°130.0°
C8C7C6H6178.5°180.0°
C8C9C13C10178.1°180.0°
C8C9C13N12178.7°179.7°
C8C9C10N11178.9°180.0°
C9C8C7H20.5°0.1°
C8C9C10H71.1°0.3°
C8C9C13H81.3°0.2°
C9C13N12H8180.0°179.5°
C13C9C10N111.3°0.0°
C9C13N12N110.4°0.4°
C9C13N12C14177.9°180.0°
C13C9C10H7178.7°179.7°
C10C9C13N120.6°0.3°
C9C10N11H7180.0°179.8°
C9C10N11N121.5°0.2°
C10C9C13H8179.4°179.8°
N37N38N34C33177.9°180.0°
N37N38N34C350.2°0.3°
N38N37N36C350.4°0.0°
N34N38N37N360.3°0.2°
N38N34C33C32127.5°180.0°
N38N34C33C35177.2°179.6°
N38N34C33C2659.0°0.0°
N38N34C35N360.0°0.3°
N38N34C35H10180.0°179.9°
O25N24C23C19176.9°179.2°
O25N24C23C22178.3°180.0°
O25N24C19C141.0°0.3°
O25N24C19C20179.2°179.7°
O25N24C23H91.7°0.7°
N37N36C35N340.2°0.2°
N37N36C35H10179.8°180.0°
C13N12N11C101.1°0.4°
C13N12N11C14178.1°179.6°
C13N12C14C19120.7°35.7°
C13N12C14C15108.7°84.2°
C13N12C14H213.8°155.8°
C10N11N12C14177.0°180.0°
C31C32C33H3180.0°179.7°
C32C31C29H4180.0°180.0°
C31C32C33N34175.3°180.0°
C31C32C33C261.9°0.0°
C32C31C29CL30179.0°179.9°
C32C31C29C273.0°0.0°
C33C32C31C292.4°0.0°
C32C33N34C26173.5°180.0°
C32C33N34C3549.7°0.4°
C32C33C26C272.0°0.0°
C32C33C26C22178.5°180.0°
C33C32C31H4177.7°180.0°
N24C23C22H9180.0°179.3°
N24C23C22C26178.1°179.5°
N24C23C22C210.2°0.5°
C23N24C19C14177.7°179.5°
C23N24C19C202.5°0.5°
C23C22C26C33115.3°115.0°
C22C23N24C191.5°0.8°
C23C22C26C2764.2°65.0°
C23C22C26C21178.3°180.0°
C23C22C21C200.8°0.0°
C23C22C21H1179.2°179.7°
C31C29CL30C27178.0°179.9°
C31C29C27C263.2°0.1°
C31C29C27F28179.8°179.9°
C29C31C32H3177.6°179.7°
N34C33C26C27175.1°180.0°
N34C33C26C225.5°0.0°
C33N34C35N36177.4°180.0°
N34C33C32H34.7°0.3°
C33N34C35H102.6°0.3°
C26C33N34C35123.8°179.6°
C33C26C27C292.6°0.1°
C33C26C27C22179.5°180.0°
C33C26C27F28179.3°179.9°
C33C26C22C2166.4°65.1°
C26C33C32H3178.1°179.7°
N34C35N36H10180.0°179.8°
N24C19C14N1282.8°95.4°
N24C19C14C20179.8°180.0°
N24C19C14C15151.3°144.7°
N24C19C20C211.9°0.0°
N24C19C20H5178.1°180.0°
C19N24C23H9178.5°179.9°
N24C19C14H2134.4°24.6°
CL30C29C27C26178.8°180.0°
CL30C29C27F282.2°0.2°
CL30C29C31H40.9°0.0°
C29C27C26F28176.7°179.8°
C29C27C26C22177.9°180.0°
C27C29C31H4177.0°179.9°
C27C26C22C21114.1°114.9°
C22C26C27F281.2°0.1°
C26C22C21C20177.6°180.0°
C26C22C21H12.5°0.2°
C26C22C23H91.9°0.2°
N11N12C14C1961.2°144.7°
N11N12C14C1569.4°95.3°
N12N11C10H7178.5°180.0°
N11N12C13H8179.7°179.9°
N11N12C14H21178.2°24.7°
N12C14C19C15125.9°119.9°
N12C14C19H21117.3°120.0°
N12C14C19C2097.0°84.6°
N12C14C15H21113.0°120.0°
N12C14C15C1647.8°65.1°
C14N12C13H82.1°0.5°
N12C14C15H19168.4°54.9°
N12C14C15H2072.7°175.0°
C22C21C20C190.2°0.2°
C22C21C20H1180.0°179.7°
C22C21C20H5179.8°179.8°
C21C22C23H9179.8°179.8°
C19C14C15H21117.0°120.1°
C14C19C20C21178.3°180.0°
C19C14C15C16177.8°175.0°
C14C19C20H51.7°0.0°
C19C14C15H1961.6°65.0°
C19C14C15H2057.3°55.1°
C20C19C14C1528.9°35.3°
C19C20C21H5180.0°180.0°
C19C20C21H1179.8°180.0°
C20C19C14H21145.7°155.4°
C14C15C16C1770.6°175.0°
C14C15C16H19120.5°120.0°
C14C15C16H20120.5°119.9°
C14C15C16C18140.0°116.4°
C14C15C16H1575.8°29.2°
C14C15H19H20118.4°120.0°
C16C17C18H11109.5°107.5°
C16C17C18H12109.5°107.5°
C17C16C15C1869.4°68.6°
C17C16C15H15146.5°145.8°
C17C16C18H15106.2°107.5°
C16C17H11H12144.6°145.6°
C16C17C18H13109.5°107.6°
C16C17C18H14109.5°107.5°
C17C16C15H1949.9°65.0°
C17C16C15H20168.8°55.1°
C18C17H11H12144.6°145.7°
C17C18H13H14144.7°145.6°
C15C16C18H15144.2°144.9°
C15C16C17H11143.0°0.1°
C15C16C17H122.1°145.1°
C15C16C18H13140.9°145.0°
C15C16C18H140.2°0.1°
C16C15H19H20118.4°120.0°
C16C15C14H2165.2°54.9°
C16C18H13H14144.7°145.8°
C18C16C15H1919.5°3.7°
C18C16C15H2099.4°123.7°
H1C21C20H50.2°0.0°
H2C7C6H61.5°0.4°
H3C32C31H42.4°0.3°
H11C17C18H130.0°145.0°
H11C17C18H14141.0°0.0°
H11C17C16H153.5°145.0°
H12C17C18H13141.0°0.1°
H12C17C18H140.0°145.0°
H12C17C16H15144.4°0.1°
H13C18C16H153.3°0.1°
H14C18C16H15144.3°145.1°
H15C16C15H19163.6°149.3°
H15C16C15H2044.7°90.7°
H16C1H17H18120.0°120.0°
H19C15C14H2155.3°174.9°
H20C15C14H21174.3°65.0°

224931

PDB entries from 2024-09-11

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