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EE9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C04C05doub1.38Å1.38ÅAromatic
C04C03sing1.38Å1.40ÅAromatic
C05C14sing1.39Å1.37ÅAromatic
C01N02sing1.46Å1.45Å
N15C14sing1.40Å1.46Å
N15C16sing1.38Å1.43Å
N02C03sing1.41Å1.47Å
N02C32sing1.35Å1.41Å
C03C06doub1.40Å1.37ÅAromatic
C14C13doub1.39Å1.41ÅAromatic
C12C11sing1.53Å1.54Å
O33C32doub1.21Å1.18Å
C32C11sing1.51Å1.58Å
N17C16doub1.33Å1.32ÅAromatic
N17C18sing1.32Å1.32ÅAromatic
C16N31sing1.32Å1.32ÅAromatic
C06C13sing1.39Å1.41ÅAromatic
C06N07sing1.40Å1.45Å
C11N07sing1.47Å1.44Å
C18C19doub1.38Å1.39ÅAromatic
N07C08sing1.47Å1.47Å
N31C20doub1.33Å1.31ÅAromatic
C10C08sing1.53Å1.53Å
C19C20sing1.40Å1.38ÅAromatic
C08C09sing1.53Å1.52Å
C20C21sing1.48Å1.52Å
C23C24doub1.36Å1.40ÅAromatic
C23C22sing1.40Å1.42ÅAromatic
C21C22doub1.42Å1.43ÅAromatic
C21C30sing1.38Å1.39ÅAromatic
C24C25sing1.39Å1.40ÅAromatic
C22C27sing1.42Å1.38ÅAromatic
C30N29doub1.32Å1.32ÅAromatic
C25C26doub1.36Å1.39ÅAromatic
C27C26sing1.40Å1.42ÅAromatic
C27C28doub1.40Å1.44ÅAromatic
N29C28sing1.31Å1.33ÅAromatic
C10H102sing1.09Å1.10Å
C10H101sing1.09Å1.10Å
C10H103sing1.09Å1.10Å
C13H131sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
C26H261sing1.08Å1.08Å
C28H281sing1.08Å1.08Å
C01H012sing1.09Å1.10Å
C01H013sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C04H041sing1.08Å1.08Å
C05H051sing1.08Å1.08Å
C08H081sing1.09Å1.10Å
C09H091sing1.09Å1.10Å
C09H093sing1.09Å1.10Å
C09H092sing1.09Å1.10Å
C11H111sing1.09Å1.10Å
C12H122sing1.09Å1.10Å
C12H123sing1.09Å1.10Å
C12H121sing1.09Å1.10Å
C18H181sing1.08Å1.08Å
C19H191sing1.08Å1.08Å
C23H231sing1.08Å1.08Å
C25H251sing1.08Å1.08Å
C30H301sing1.08Å1.08Å
N15H151sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C05C04C03119.0°120.0°
C04C05C14120.8°120.1°
C05C04H041120.5°120.0°
C04C05H051119.6°120.0°
C04C03N02118.7°120.4°
C04C03C06121.3°120.2°
C03C04H041120.5°120.0°
C05C14N15113.8°119.9°
C05C14C13120.6°120.2°
C14C05H051119.6°120.0°
C01N02C03122.1°120.6°
C01N02C32117.4°120.8°
N02C01H012109.5°109.5°
N02C01H013109.5°109.4°
N02C01H011109.5°109.5°
C14N15C16123.0°120.0°
N15C14C13125.6°119.9°
C14N15H151118.5°120.0°
N15C16N17117.5°119.2°
N15C16N31119.9°119.1°
C16N15H151118.5°120.0°
C03N02C32120.4°118.6°
N02C03C06119.9°119.4°
N02C32O33119.7°120.2°
N02C32C11113.8°119.5°
C03C06C13119.2°119.7°
C03C06N07118.9°120.2°
C14C13C06119.0°119.9°
C14C13H131120.5°120.1°
C12C11C32105.8°109.3°
C12C11N07114.5°109.4°
C12C11H111108.0°109.4°
C11C12H122109.5°109.5°
C11C12H123109.5°109.5°
C11C12H121109.5°109.5°
O33C32C11126.6°120.3°
C32C11N07111.5°110.1°
C32C11H111107.5°109.3°
C16N17C18118.7°121.0°
N17C16N31122.6°121.7°
N17C18C19121.0°119.3°
N17C18H181119.5°120.3°
C16N31C20121.2°120.6°
C13C06N07121.9°120.1°
C06C13H131120.5°120.0°
C06N07C11113.4°112.0°
C06N07C08118.3°111.0°
C11N07C08122.5°111.0°
N07C11H111109.2°109.4°
C18C19C20117.1°118.4°
C19C18H181119.5°120.4°
C18C19H191121.5°120.8°
N07C08C10108.6°109.5°
N07C08C09111.8°109.5°
N07C08H081108.0°109.4°
N31C20C19119.4°119.0°
N31C20C21117.4°120.5°
C10C08C09113.4°109.5°
C08C10H102109.5°109.5°
C08C10H101109.5°109.5°
C08C10H103109.5°109.4°
C10C08H081107.3°109.4°
C19C20C21123.1°120.5°
C20C19H191121.4°120.8°
C09C08H081107.5°109.5°
C08C09H091109.5°109.4°
C08C09H093109.4°109.5°
C08C09H092109.5°109.5°
C20C21C22121.2°120.8°
C20C21C30118.7°120.9°
C24C23C22120.6°119.5°
C23C24C25118.9°121.0°
C23C24H241120.6°119.5°
C24C23H231119.7°120.2°
C23C22C21123.7°122.2°
C23C22C27119.8°119.7°
C22C23H231119.7°120.3°
C22C21C30120.1°118.3°
C21C22C27116.5°118.2°
C21C30N29122.6°121.5°
C21C30H301118.7°119.3°
C24C25C26120.3°121.1°
C25C24H241120.5°119.5°
C24C25H251119.8°119.5°
C22C27C26119.5°119.3°
C22C27C28119.4°118.7°
C30N29C28119.2°122.9°
N29C30H301118.7°119.2°
C25C26C27120.8°119.5°
C25C26H261119.6°120.3°
C26C25H251119.9°119.5°
C26C27C28121.2°121.9°
C27C26H261119.6°120.3°
C27C28N29122.2°120.3°
C27C28H281118.9°119.8°
N29C28H281118.9°119.8°
H102C10H101109.5°109.5°
H102C10H103109.4°109.4°
H101C10H103109.4°109.5°
H012C01H013109.4°109.5°
H012C01H011109.5°109.4°
H013C01H011109.5°109.5°
H091C09H093109.5°109.4°
H091C09H092109.4°109.5°
H093C09H092109.5°109.5°
H122C12H123109.5°109.4°
H122C12H121109.5°109.5°
H123C12H121109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C05C04C03H041180.0°179.8°
C04C05C14H051180.0°179.7°
C04C05C14N15179.8°179.9°
C05C04C03N02179.4°179.4°
C05C04C03C062.7°0.4°
C04C05C14C130.2°0.0°
C03C04C05C141.5°0.3°
C04C03N02C0123.2°18.0°
C04C03N02C06177.9°179.8°
C04C03N02C32159.5°161.9°
C04C03C06C132.3°0.2°
C04C03C06N07177.2°179.6°
C03C04C05H051178.5°180.0°
C05C14N15C13179.6°179.9°
C05C14N15C16165.6°144.4°
C05C14C13C060.6°0.2°
C05C14C13H131179.4°179.9°
C14C05C04H041178.5°179.9°
C05C14N15H15114.4°35.6°
C01N02C03C32177.3°179.9°
C01N02C03C06158.9°162.2°
C01N02C32O331.1°0.8°
C01N02C32C11178.6°179.2°
N02C01H012H013120.0°119.9°
N02C01H012H011120.0°120.1°
N02C01H013H011120.0°120.1°
C14N15C16H151180.0°180.0°
C14N15C16N17168.1°5.6°
C14N15C16N3111.6°174.3°
N15C14C13C06179.8°179.7°
N15C14C13H1310.2°0.0°
N15C14C05H0510.2°0.4°
C16N15C14C1314.8°35.5°
N15C16N17N31179.7°179.9°
N15C16N17C18179.4°179.7°
N15C16N31C20179.7°179.9°
C03N02C32O33178.5°179.2°
C03N02C32C111.2°0.7°
N02C03C06C13179.9°179.6°
N02C03C06N070.6°0.6°
C03N02C01H012180.0°90.0°
C03N02C01H01360.0°150.0°
C03N02C01H01160.0°30.0°
N02C03C04H0410.6°0.4°
C32N02C03C0618.4°17.9°
N02C32C11C1288.4°155.0°
N02C32O33C11179.7°180.0°
N02C32C11N0736.6°34.8°
C32N02C01H0122.6°90.1°
C32N02C01H013117.4°29.9°
C32N02C01H011122.6°150.0°
N02C32C11H111156.4°85.3°
C03C06C13C140.6°0.1°
C03C06C13N07179.5°179.8°
C03C06N07C1136.7°35.9°
C03C06N07C08169.5°88.7°
C03C06C13H131179.4°179.8°
C06C03C04H041177.2°179.8°
C14C13C06H131180.0°179.7°
C14C13C06N07178.9°179.9°
C13C14C05H051179.8°179.6°
C13C14N15H151165.2°144.4°
C12C11C32O3391.9°25.0°
C12C11C32N07125.0°120.2°
C12C11C32H111115.2°119.7°
C12C11N07C0665.7°170.8°
C12C11N07H111121.3°119.8°
C12C11N07C0886.8°46.1°
C11C12H122H123120.0°120.0°
C11C12H122H121120.0°120.0°
C11C12H123H121120.0°120.0°
O33C32C11N07143.0°145.2°
O33C32C11H11123.3°94.7°
C32C11N07C0654.3°50.7°
C32C11N07H111118.7°120.2°
C32C11N07C08153.1°74.0°
C32C11C12H122180.0°172.7°
C32C11C12H12360.0°67.3°
C32C11C12H12160.0°52.7°
C16N17C18C190.5°0.3°
N17C16N31C200.0°0.1°
C16N17C18H181179.5°179.7°
N17C16N15H15111.9°174.4°
C18N17C16N310.3°0.4°
N17C18C19H181180.0°180.0°
N17C18C19C201.6°0.0°
N17C18C19H191178.4°180.0°
C16N31C20C191.1°0.2°
C16N31C20C21179.6°180.0°
N31C16N15H151168.4°5.6°
C13C06N07C11142.8°144.2°
C13C06N07C0811.1°91.1°
C06N07C11C08152.6°124.6°
C06N07C08C1085.0°47.4°
C06N07C08C09149.1°72.6°
N07C06C13H1311.2°0.4°
C06N07C08H08131.1°167.4°
C06N07C11H111173.0°69.5°
C11N07C08C1066.3°77.8°
C11N07C08C0959.6°162.2°
C11N07C08H081177.6°42.2°
N07C11C12H12256.8°52.1°
N07C11C12H123176.8°172.1°
N07C11C12H12163.2°67.9°
C18C19C20N311.9°0.2°
C18C19C20H191180.0°180.0°
C18C19C20C21179.7°180.0°
N07C08C10C09125.0°120.1°
N07C08C10H081116.5°119.9°
N07C08C09H081118.3°120.0°
N07C08C10H102180.0°180.0°
N07C08C10H10160.0°59.9°
N07C08C10H10360.0°60.1°
N07C08C09H091180.0°56.8°
N07C08C09H09360.0°63.1°
N07C08C09H09260.0°176.9°
C08N07C11H11134.4°165.9°
N31C20C19C21178.4°179.8°
N31C20C21C2243.9°47.4°
N31C20C21C30134.0°132.2°
N31C20C19H191178.2°179.8°
C10C08C09H081118.4°120.0°
C08C10H102H101120.0°120.1°
C08C10H102H103120.0°119.9°
C08C10H101H103120.0°120.0°
C10C08C09H09156.8°63.2°
C10C08C09H093176.8°176.9°
C10C08C09H09263.2°56.8°
C19C20C21C22137.6°132.8°
C19C20C21C3044.4°47.5°
C20C19C18H181178.4°180.0°
C09C08C10H10255.0°59.9°
C09C08C10H10165.0°180.0°
C09C08C10H103175.1°60.0°
C08C09H091H093120.0°119.9°
C08C09H091H092120.0°120.0°
C08C09H093H092120.0°120.1°
C20C21C22C232.0°0.1°
C20C21C22C30178.0°179.6°
C20C21C22C27178.7°180.0°
C20C21C30N29178.6°180.0°
C21C20C19H1910.3°0.0°
C20C21C30H3011.4°0.0°
C24C23C22H231180.0°179.9°
C24C23C22C21179.4°180.0°
C23C24C25H241180.0°179.9°
C24C23C22C270.1°0.1°
C23C24C25C260.0°0.1°
C23C24C25H251180.0°180.0°
C23C22C21C27179.3°179.9°
C23C22C21C30180.0°179.7°
C22C23C24C250.0°0.1°
C23C22C27C260.2°0.1°
C23C22C27C28179.9°180.0°
C22C23C24H241180.0°180.0°
C22C21C30N290.6°0.4°
C21C22C27C26179.5°180.0°
C21C22C27C280.6°0.1°
C21C22C23H2310.6°0.1°
C22C21C30H301179.4°179.7°
C30C21C22C270.7°0.4°
C21C30N29H301180.0°180.0°
C21C30N29C280.3°0.1°
C24C25C26H251180.0°180.0°
C24C25C26C270.1°0.1°
C24C25C26H261179.9°180.0°
C25C24C23H231180.0°180.0°
C22C27C26C250.2°0.1°
C22C27C26C28179.9°179.9°
C22C27C28N290.3°0.2°
C22C27C26H261179.8°180.0°
C22C27C28H281179.7°180.0°
C27C22C23H231179.9°180.0°
C30N29C28C270.1°0.3°
C30N29C28H281179.9°180.0°
C25C26C27H261180.0°179.9°
C25C26C27C28179.9°180.0°
C26C25C24H241180.0°180.0°
C26C27C28N29179.8°179.7°
C26C27C28H2810.2°0.1°
C27C26C25H251179.9°180.0°
C27C28N29H281180.0°179.8°
C28C27C26H2610.1°0.1°
C28N29C30H301179.7°180.0°
H102C10H101H103120.0°120.0°
H102C10C08H08163.5°60.1°
H101C10C08H081176.5°60.0°
H103C10C08H08156.5°180.0°
H241C24C23H2310.0°0.0°
H241C24C25H2510.0°0.0°
H261C26C25H2510.1°0.0°
H012C01H013H011120.0°120.0°
H041C04C05H0511.5°0.2°
H081C08C09H09161.7°176.8°
H081C08C09H09358.3°56.9°
H081C08C09H092178.4°63.1°
H091C09H093H092120.0°120.0°
H111C11C12H12265.1°67.6°
H111C11C12H12354.9°52.3°
H111C11C12H121174.9°172.3°
H122C12H123H121120.0°120.0°
H181C18C19H1911.6°0.0°

222415

PDB entries from 2024-07-10

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