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A1B0E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C13sing1.53Å1.58Å
C14O1sing1.43Å1.42Å
C13N3sing1.47Å1.46Å
C15O1sing1.43Å1.43Å
C15C16sing1.53Å1.54Å
C16C17sing1.53Å1.54Å
OCdoub1.22Å1.26Å
C17C18sing1.53Å1.53Å
N3C7sing1.38Å1.43Å
N1C7doub1.31Å1.37ÅAromatic
N1C5sing1.35Å1.40ÅAromatic
C22C21doub1.38Å1.43ÅAromatic
C22C23sing1.38Å1.40ÅAromatic
C18N4sing1.47Å1.51Å
C6C5doub1.40Å1.42ÅAromatic
C6C1sing1.39Å1.39ÅAromatic
C21C20sing1.38Å1.41ÅAromatic
N4C19sing1.47Å1.49Å
C7C8sing1.46Å1.47ÅAromatic
CC1sing1.48Å1.49Å
CNsing1.35Å1.36Å
C5C4sing1.41Å1.42ÅAromatic
C23C24doub1.38Å1.40ÅAromatic
C1C2doub1.40Å1.42ÅAromatic
C20C19sing1.51Å1.51Å
C20C25doub1.38Å1.41ÅAromatic
C8C9doub1.40Å1.43ÅAromatic
C8C12sing1.42Å1.44ÅAromatic
C24C25sing1.38Å1.39ÅAromatic
C24CLsing1.74Å1.69Å
C4C12sing1.47Å1.46ÅAromatic
C4C3doub1.40Å1.42ÅAromatic
C9C10sing1.37Å1.38ÅAromatic
C2C3sing1.36Å1.41ÅAromatic
C12C11doub1.39Å1.43ÅAromatic
C10N2doub1.32Å1.38ÅAromatic
C11N2sing1.32Å1.36ÅAromatic
C2H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
N4H3sing1.01Å1.00Å
C9H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C11H7sing1.08Å1.08Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C16H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C22H16sing1.08Å1.08Å
C25H17sing1.08Å1.08Å
C23H18sing1.08Å1.08Å
C21H19sing1.08Å1.08Å
C18H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C17H22sing1.09Å1.10Å
C17H23sing1.09Å1.10Å
C14H24sing1.09Å1.10Å
C14H25sing1.09Å1.10Å
N3H26sing0.97Å1.00Å
C6H27sing1.08Å1.08Å
NH28sing0.97Å1.00Å
NH29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C13C14O1108.5°109.5°
C14C13N3108.1°109.5°
C14C13H8109.8°109.5°
C14C13H9109.8°109.5°
C13C14H24109.7°109.5°
C13C14H25109.7°109.5°
C14O1C15110.8°114.0°
O1C14H24109.7°109.5°
O1C14H25109.7°109.5°
C13N3C7124.6°120.0°
N3C13H8109.8°109.4°
N3C13H9109.8°109.5°
C13N3H26105.6°120.0°
O1C15C16106.0°109.5°
O1C15H10110.3°109.5°
O1C15H11110.4°109.5°
C15C16C17107.2°109.5°
C16C15H10110.3°109.4°
C16C15H11110.3°109.5°
C15C16H12110.0°109.5°
C15C16H13110.0°109.5°
C16C17C18109.3°109.5°
C17C16H12110.0°109.5°
C17C16H13110.0°109.4°
C16C17H22109.5°109.5°
C16C17H23109.5°109.4°
OCC1123.7°120.0°
OCN120.9°120.1°
C17C18N4109.2°109.5°
C17C18H20109.6°109.5°
C17C18H21109.5°109.5°
C18C17H22109.5°109.5°
C18C17H23109.5°109.5°
N3C7N1119.6°119.7°
N3C7C8118.0°119.7°
C7N3H26105.6°120.0°
C7N1C5118.7°123.3°
N1C7C8122.4°120.6°
N1C5C6114.3°119.9°
N1C5C4124.4°121.1°
C21C22C23119.7°120.0°
C22C21C20120.8°120.0°
C21C22H16120.2°120.0°
C22C21H19119.6°119.9°
C22C23C24117.6°120.0°
C23C22H16120.1°120.0°
C22C23H18121.2°120.0°
C18N4C19111.3°111.0°
C18N4H3109.0°111.0°
N4C18H20109.5°109.5°
N4C18H21109.6°109.5°
C5C6C1117.8°119.8°
C6C5C4121.3°119.0°
C5C6H27121.1°120.1°
C6C1C117.9°119.8°
C6C1C2121.9°120.4°
C1C6H27121.1°120.1°
C21C20C19120.1°120.0°
C21C20C25119.5°120.0°
C20C21H19119.6°120.0°
N4C19C20109.3°109.5°
C19N4H3109.0°111.0°
N4C19H14109.5°109.4°
N4C19H15109.5°109.5°
C7C8C9124.2°123.0°
C7C8C12117.2°118.8°
C1CN115.2°120.0°
CC1C2120.1°119.8°
CNH28120.0°120.1°
CNH29120.0°120.0°
C5C4C12116.5°118.6°
C5C4C3119.8°120.2°
C23C24C25124.7°119.9°
C23C24CL117.6°120.0°
C24C23H18121.2°120.0°
C1C2C3120.6°120.4°
C1C2H1119.7°119.8°
C19C20C25120.4°120.0°
C20C19H14109.5°109.5°
C20C19H15109.5°109.5°
C20C25C24117.8°120.0°
C20C25H17121.1°120.0°
C9C8C12118.5°118.3°
C8C9C10119.4°118.5°
C8C9H5120.3°120.7°
C8C12C4120.7°117.6°
C8C12C11117.5°119.1°
C25C24CL117.7°120.1°
C24C25H17121.1°120.0°
C12C4C3123.7°121.2°
C4C12C11121.9°123.3°
C4C3C2118.6°120.2°
C4C3H2120.7°119.9°
C9C10N2123.4°121.8°
C10C9H5120.3°120.7°
C9C10H6118.3°119.1°
C3C2H1119.7°119.8°
C2C3H2120.7°119.9°
C12C11N2123.3°119.8°
C12C11H7118.4°120.1°
C10N2C11117.8°122.6°
N2C10H6118.3°119.1°
N2C11H7118.4°120.1°
H8C13H9109.5°109.5°
H10C15H11109.5°109.5°
H12C16H13109.5°109.4°
H14C19H15109.5°109.5°
H20C18H21109.5°109.5°
H22C17H23109.5°109.4°
H24C14H25109.5°109.5°
H28NH29120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C13C14O1H24119.8°120.0°
C13C14O1H25119.9°120.0°
C14C13N3H8119.8°120.0°
C14C13N3H9119.8°120.0°
C13C14O1C15169.8°180.0°
C14C13N3C773.4°180.0°
C14C13H8H9120.6°120.0°
C13C14H24H25120.4°120.0°
C14C13N3H2648.6°0.0°
O1C14C13N366.4°65.0°
C14O1C15C16165.3°180.0°
O1C14C13H853.4°175.0°
O1C14C13H9173.9°55.0°
C14O1C15H1045.9°60.0°
C14O1C15H1175.2°60.0°
O1C14H24H25120.5°120.0°
C13N3C7H26122.1°180.0°
C13N3C7N14.8°0.1°
C13N3C7C8174.8°180.0°
N3C13H8H9120.6°120.0°
N3C13C14H2453.5°175.0°
N3C13C14H25173.8°55.0°
O1C15C16H10119.5°120.0°
O1C15C16H11119.5°120.1°
O1C15C16C17163.4°180.0°
O1C15H10H11121.6°120.1°
O1C15C16H1276.9°60.0°
O1C15C16H1343.8°60.0°
C15O1C14H2470.4°60.0°
C15O1C14H2549.9°60.0°
C15C16C17H12119.6°120.1°
C15C16C17H13119.6°120.0°
C15C16C17C18179.1°180.0°
C16C15H10H11121.6°119.9°
C15C16H12H13121.0°120.0°
C15C16C17H2259.2°59.9°
C15C16C17H2360.9°60.0°
C16C17C18H22120.0°120.0°
C16C17C18H23120.0°120.0°
C16C17C18N4177.7°180.0°
C17C16C15H1044.0°60.0°
C17C16C15H1177.1°59.9°
C17C16H12H13121.1°120.0°
C16C17C18H2057.8°60.0°
C16C17C18H2162.3°60.0°
C16C17H22H23120.1°120.0°
OCC1C624.8°0.0°
OCC1N175.1°180.0°
OCC1C2158.0°179.4°
OCNH280.0°180.0°
OCNH29180.0°0.0°
C17C18N4H20120.0°120.0°
C17C18N4H21119.9°120.0°
C17C18N4C19169.6°180.0°
C17C18N4H349.3°56.0°
C18C17C16H1261.3°60.0°
C18C17C16H1359.5°60.0°
C17C18H20H21120.1°120.0°
C18C17H22H23120.1°120.0°
N3C7N1C8179.6°179.9°
N3C7N1C5177.3°180.0°
N3C7C8C93.2°0.0°
N3C7C8C12175.0°179.9°
C7N3C13H8166.8°60.0°
C7N3C13H946.4°60.0°
C7N1C5C6178.7°179.5°
C7N1C5C40.6°0.1°
N1C7C8C9177.2°179.9°
N1C7C8C124.5°0.1°
N1C7N3H26126.9°179.9°
N1C5C6C4179.3°179.4°
N1C5C6C1178.6°179.8°
C5N1C7C82.3°0.1°
N1C5C4C121.0°0.0°
N1C5C4C3179.7°180.0°
N1C5C6H271.4°0.6°
C21C22C23H16180.0°179.8°
C22C21C20H19180.0°179.8°
C21C22C23C240.7°0.0°
C22C21C20C19178.1°180.0°
C22C21C20C250.6°0.1°
C21C22C23H18179.3°180.0°
C23C22C21C200.0°0.1°
C22C23C24H18180.0°180.0°
C22C23C24C250.8°0.0°
C22C23C24CL178.3°180.0°
C23C22C21H19180.0°179.9°
C18N4C19H3120.3°124.0°
C18N4C19C20171.8°180.0°
C18N4C19H1451.8°60.0°
C18N4C19H1568.2°60.0°
N4C18H20H21120.2°120.0°
N4C18C17H2262.3°60.0°
N4C18C17H2357.8°60.0°
C5C6C1H27180.0°179.1°
C5C6C1C175.1°180.0°
C5C6C1C22.1°0.6°
C6C5C4C12178.2°179.4°
C6C5C4C31.1°0.5°
C6C1CC2177.3°179.4°
C6C1CN150.3°180.0°
C1C6C5C42.1°0.8°
C6C1C2C31.2°0.0°
C6C1C2H1178.8°179.7°
C21C20C19N481.8°90.0°
C21C20C19C25178.8°179.9°
C21C20C25C240.5°0.1°
C21C20C19H1438.2°30.0°
C21C20C19H15158.2°150.1°
C20C21C22H16180.0°179.7°
C21C20C25H17179.5°179.9°
N4C19C20H14120.0°120.0°
N4C19C20H15119.9°120.0°
N4C19C20C2596.9°89.9°
N4C19H14H15120.1°120.0°
C19N4C18H2070.4°60.0°
C19N4C18H2149.7°60.0°
C7C8C9C12178.3°179.9°
C7C8C12C44.0°0.0°
C7C8C9C10176.2°180.0°
C7C8C12C11175.6°180.0°
C7C8C9H53.7°0.1°
C8C7N3H2652.7°0.0°
CC1C2C3176.0°179.4°
CC1C2H14.0°0.3°
CC1C6H274.9°0.9°
C1CNH28175.2°0.0°
C1CNH294.8°180.0°
NCC1C227.0°0.6°
CNH28H29180.0°179.9°
C5C4C12C81.4°0.0°
C5C4C12C3179.3°180.0°
C5C4C3C20.1°0.0°
C5C4C12C11178.2°180.0°
C5C4C3H2180.0°180.0°
C4C5C6H27177.9°180.0°
C23C24C25C200.2°0.0°
C23C24C25CL179.2°180.0°
C24C23C22H16179.3°179.7°
C23C24C25H17179.8°180.0°
C1C2C3C40.1°0.3°
C1C2C3H1180.0°179.7°
C1C2C3H2179.9°179.7°
C2C1C6H27177.8°179.7°
C19C20C25C24178.2°180.0°
C20C19N4H367.9°56.0°
C20C19H14H15120.1°120.0°
C19C20C25H171.7°0.0°
C19C20C21H191.9°0.1°
C20C25C24H17180.0°180.0°
C20C25C24CL179.0°180.0°
C25C20C19H14143.1°150.1°
C25C20C19H1523.0°30.0°
C25C20C21H19179.4°180.0°
C9C8C12C4177.6°179.9°
C8C9C10H5180.0°179.9°
C9C8C12C112.7°0.1°
C8C9C10N20.0°0.0°
C8C9C10H6179.9°180.0°
C8C12C4C11179.6°180.0°
C8C12C4C3177.8°180.0°
C12C8C9C102.0°0.1°
C8C12C11N21.6°0.0°
C12C8C9H5178.0°180.0°
C8C12C11H7178.4°180.0°
C25C24C23H18179.1°180.0°
CLC24C25H171.1°0.0°
CLC24C23H181.7°0.0°
C12C4C3C2179.2°180.0°
C4C12C11N2178.8°180.0°
C12C4C3H20.8°0.0°
C4C12C11H71.2°0.0°
C4C3C2H2180.0°180.0°
C3C4C12C112.6°0.0°
C4C3C2H1179.9°180.0°
C9C10N2H6180.0°180.0°
C9C10N2C111.3°0.0°
C12C11N2C100.4°0.0°
C12C11N2H7180.0°179.9°
N2C10C9H5179.9°179.9°
C10N2C11H7179.5°179.9°
C11N2C10H6178.7°180.0°
H1C2C3H20.1°0.0°
H3N4C19H14172.1°176.1°
H3N4C19H1552.1°64.0°
H3N4C18H20169.3°63.9°
H3N4C18H2170.6°176.0°
H5C9C10H60.1°0.1°
H8C13C14H24173.2°55.0°
H8C13C14H2566.5°65.0°
H8C13N3H2671.1°120.0°
H9C13C14H2466.3°65.0°
H9C13C14H2554.0°175.0°
H9C13N3H26168.4°120.0°
H10C15C16H12163.6°60.0°
H10C15C16H1375.7°180.0°
H11C15C16H1242.6°180.0°
H11C15C16H13163.2°60.1°
H12C16C17H22178.8°180.0°
H12C16C17H2358.7°60.0°
H13C16C17H2260.5°60.0°
H13C16C17H23179.4°NaN°
H16C22C23H180.7°0.3°
H16C22C21H190.0°0.2°
H20C18C17H22177.7°60.0°
H20C18C17H2362.2°180.0°
H21C18C17H2257.7°180.0°
H21C18C17H23177.7°60.0°

250835

PDB entries from 2026-03-18

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