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AGB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.53Å1.55Å
C1C3sing1.53Å1.57Å
C1C4sing1.53Å1.56Å
C1H1sing1.09Å1.12Å
C2C6sing1.53Å1.55Å
C2H21sing1.09Å1.11Å
C2H22sing1.09Å1.12Å
C3C10sing1.53Å1.57Å
C3H31sing1.09Å1.12Å
C3H32sing1.09Å1.11Å
C4C7sing1.53Å1.56Å
C4H41sing1.09Å1.12Å
C4H42sing1.09Å1.12Å
C5C6sing1.53Å1.56Å
C5C7sing1.53Å1.56Å
C5H51sing1.09Å1.11Å
C5H52sing1.09Å1.12Å
C6C8sing1.53Å1.56Å
C6H6sing1.09Å1.11Å
C7C9sing1.53Å1.56Å
C7H7sing1.09Å1.12Å
C8C10sing1.53Å1.57Å
C8H81sing1.09Å1.11Å
C8H82sing1.09Å1.11Å
C9C10sing1.53Å1.56Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.12Å
C10N2sing1.47Å1.47Å
N1C12sing1.35Å1.35Å
N1C11sing1.47Å1.45Å
N1HN1sing0.97Å1.02Å
C12N2sing1.35Å1.36Å
C12O1doub1.22Å1.23Å
N2HN2sing0.97Å1.02Å
C11C14sing1.51Å1.53Å
C11H111sing1.09Å1.12Å
C11H112sing1.09Å1.12Å
C13C14doub1.38Å1.40ÅAromatic
C13C18sing1.38Å1.39ÅAromatic
C13H13sing1.08Å1.10Å
C14C15sing1.38Å1.41ÅAromatic
C15C16doub1.38Å1.41ÅAromatic
C15H15sing1.08Å1.10Å
C16C17sing1.39Å1.40ÅAromatic
C16H16sing1.08Å1.10Å
C17C18doub1.39Å1.40ÅAromatic
C17N3sing1.40Å1.50Å
C18H18sing1.08Å1.10Å
N3C19sing1.38Å1.29Å
N3HN3sing0.97Å1.02Å
N4C19doub1.30Å1.29Å
N4HN4sing0.97Å1.02Å
C19N5sing1.37Å1.31Å
N5HN51sing0.97Å1.02Å
N5HN52sing0.97Å1.02Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C2C1C3110.0°109.5°
C2C1C4109.3°109.5°
C2C1H1109.3°109.4°
C1C2C6109.0°109.4°
C1C2H21112.3°109.4°
C1C2H22112.3°109.5°
C3C1C4109.6°109.5°
C3C1H1109.0°109.5°
C1C3C10109.8°109.4°
C1C3H31112.0°109.5°
C1C3H32112.1°109.5°
C4C1H1109.6°109.4°
C1C4C7109.6°109.4°
C1C4H41112.2°109.5°
C1C4H42112.2°109.5°
C6C2H21112.4°109.5°
C6C2H22112.4°109.5°
C2C6C5109.7°109.5°
C2C6C8109.5°109.5°
C2C6H6109.2°109.5°
H21C2H2298.1°109.5°
C10C3H31112.1°109.5°
C10C3H32112.1°109.5°
C3C10C8107.1°109.5°
C3C10C9110.2°109.5°
C3C10N2112.8°109.5°
H31C3H3298.3°109.4°
C7C4H41112.2°109.4°
C7C4H42112.2°109.5°
C4C7C5109.4°109.5°
C4C7C9109.6°109.5°
C4C7H7109.5°109.5°
H41C4H4298.2°109.5°
C6C5C7109.0°109.4°
C6C5H51112.4°109.5°
C6C5H52112.4°109.5°
C5C6C8109.3°109.5°
C5C6H6109.4°109.4°
C7C5H51112.3°109.4°
C7C5H52112.3°109.5°
C5C7C9109.9°109.5°
C5C7H7109.3°109.5°
H51C5H5298.1°109.5°
C8C6H6109.6°109.5°
C6C8C10111.1°109.4°
C6C8H81111.6°109.5°
C6C8H82111.6°109.4°
C9C7H7109.1°109.4°
C7C9C10109.8°109.4°
C7C9H91112.1°109.4°
C7C9H92112.1°109.5°
C10C8H81111.6°109.5°
C10C8H82111.6°109.5°
C8C10C9108.5°109.5°
C8C10N2107.5°109.4°
H81C8H8298.8°109.5°
C10C9H91112.1°109.5°
C10C9H92112.1°109.5°
C9C10N2110.6°109.5°
H91C9H9298.3°109.5°
C10N2C12125.0°120.0°
C10N2HN2121.9°120.0°
C12N1C11120.4°120.0°
C12N1HN1108.3°120.1°
N1C12N2117.7°120.0°
N1C12O1119.2°120.1°
C11N1HN1108.3°120.0°
N1C11C14112.0°109.5°
N1C11H111111.3°109.4°
N1C11H112111.3°109.5°
N2C12O1123.2°119.9°
C12N2HN2113.1°119.9°
C14C11H111111.3°109.4°
C14C11H112111.3°109.5°
C11C14C13119.8°120.0°
C11C14C15120.5°119.9°
H111C11H11299.0°109.5°
C14C13C18120.2°120.1°
C14C13H13120.4°119.9°
C13C14C15119.7°120.1°
C18C13H13119.4°120.0°
C13C18C17119.7°119.9°
C13C18H18119.9°120.1°
C14C15C16119.6°120.1°
C14C15H15120.4°119.9°
C16C15H15120.0°119.9°
C15C16C17119.2°119.9°
C15C16H16120.6°120.1°
C17C16H16120.1°120.0°
C16C17C18121.0°119.8°
C16C17N3108.5°120.0°
C18C17N3130.6°120.1°
C17C18H18120.4°120.0°
C17N3C19111.9°120.0°
C17N3HN3111.3°120.1°
C19N3HN3111.3°119.9°
N3C19N4146.6°120.0°
N3C19N599.0°120.0°
C19N4HN4120.0°120.0°
N4C19N5114.5°120.0°
C19N5HN5198.9°120.0°
C19N5HN52116.2°120.0°
HN51N5HN52116.3°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C2C1C3C4120.2°120.0°
C2C1C3H1119.8°120.0°
C2C1C4H1119.8°120.0°
C1C2C6H21125.2°119.9°
C1C2C6H22125.2°120.0°
C1C2H21H22118.3°120.0°
C2C1C3C1061.2°60.0°
C2C1C3H31173.5°60.0°
C2C1C3H3264.1°180.0°
C2C1C4C760.2°60.0°
C2C1C4H4165.1°59.9°
C2C1C4H42174.5°180.0°
C1C2C6C561.0°60.1°
C1C2C6C859.0°60.0°
C1C2C6H6179.1°180.0°
C3C1C4H1119.6°120.0°
C3C1C2C659.8°60.0°
C3C1C2H2165.5°60.0°
C3C1C2H22175.0°180.0°
C1C3C10H31125.2°120.0°
C1C3C10H32125.3°120.1°
C1C3H31H32118.0°120.0°
C3C1C4C760.4°60.0°
C3C1C4H41174.3°180.0°
C3C1C4H4264.9°60.0°
C1C3C10C859.9°60.0°
C1C3C10C957.9°60.1°
C1C3C10N2178.0°180.0°
C4C1C2C660.6°60.0°
C4C1C2H21174.1°180.0°
C4C1C2H2264.7°60.0°
C4C1C3C1059.0°60.0°
C4C1C3H3166.3°180.0°
C4C1C3H32175.7°60.0°
C1C4C7H41125.3°120.0°
C1C4C7H42125.3°120.0°
C1C4H41H42118.1°120.0°
C1C4C7C559.8°60.0°
C1C4C7C960.7°60.0°
C1C4C7H7179.7°180.0°
H1C1C2C6179.4°180.0°
H1C1C2H2154.1°60.0°
H1C1C2H2255.3°60.0°
H1C1C3C10178.9°180.0°
H1C1C3H3153.7°60.0°
H1C1C3H3255.7°60.0°
H1C1C4C7180.0°180.0°
H1C1C4H4154.7°60.0°
H1C1C4H4254.7°60.1°
C6C2H21H22118.3°120.1°
C2C6C5C8120.1°120.1°
C2C6C5H6119.8°120.0°
C2C6C5C760.6°60.0°
C2C6C5H51174.2°180.0°
C2C6C5H5264.7°59.9°
C2C6C8H6119.8°120.0°
C2C6C8C1060.7°60.0°
C2C6C8H8164.6°180.0°
C2C6C8H82174.1°60.0°
H21C2C6C5173.8°180.0°
H21C2C6C866.2°60.0°
H21C2C6H653.8°60.1°
H22C2C6C564.3°59.9°
H22C2C6C8175.7°180.0°
H22C2C6H655.7°60.0°
C10C3H31H32118.0°120.0°
C3C10C8C660.2°60.0°
C3C10C9C758.2°60.0°
C3C10C8C9118.9°120.0°
C3C10C8N2121.5°120.0°
C3C10C8H8165.1°180.0°
C3C10C8H82174.6°60.0°
C3C10C9N2125.3°120.0°
C3C10C9H91176.5°59.9°
C3C10C9H9267.1°180.0°
C3C10N2C1270.7°180.0°
C3C10N2HN2109.3°0.1°
H31C3C10C8174.9°60.0°
H31C3C10C967.3°180.0°
H31C3C10N256.8°60.0°
H32C3C10C865.4°179.9°
H32C3C10C9176.7°60.0°
H32C3C10N252.7°60.0°
C7C4H41H42118.1°120.0°
C4C7C5C659.7°60.0°
C4C7C5C9120.4°120.0°
C4C7C5H7120.0°120.0°
C4C7C5H51175.0°180.0°
C4C7C5H5265.5°60.0°
C4C7C9H7119.9°120.0°
C4C7C9C1059.5°60.0°
C4C7C9H91175.2°60.0°
C4C7C9H9265.8°180.0°
H41C4C7C565.5°59.9°
H41C4C7C9174.0°180.0°
H41C4C7H754.4°60.1°
H42C4C7C5174.9°180.0°
H42C4C7C964.6°60.0°
H42C4C7H755.0°60.0°
C6C5C7H51125.3°120.0°
C6C5C7H52125.3°120.0°
C6C5H51H52118.3°120.1°
C5C6C8H6119.9°119.9°
C6C5C7C960.7°60.0°
C6C5C7H7179.7°180.0°
C5C6C8C1059.6°60.0°
C5C6C8H81175.2°60.0°
C5C6C8H8265.7°180.0°
C7C5H51H52118.2°120.0°
C7C5C6C859.6°60.0°
C7C5C6H6179.6°180.0°
C5C7C9H7119.8°120.0°
C5C7C9C1060.8°60.0°
C5C7C9H9164.5°180.0°
C5C7C9H92173.9°60.0°
H51C5C6C865.7°59.9°
H51C5C6H654.4°60.0°
H51C5C7C964.6°59.9°
H51C5C7H755.0°60.0°
H52C5C6C8175.2°180.0°
H52C5C6H655.2°60.0°
H52C5C7C9174.1°180.0°
H52C5C7H754.4°60.0°
C6C8C10H81125.3°120.0°
C6C8C10H82125.2°119.9°
C6C8H81H82117.5°120.0°
C6C8C10C958.7°60.1°
C6C8C10N2178.4°180.0°
H6C6C8C10179.5°180.0°
H6C6C8H8155.3°60.0°
H6C6C8H8254.3°60.1°
C7C9C10C858.7°60.0°
C7C9C10H91125.3°119.9°
C7C9C10H92125.2°120.0°
C7C9H91H92118.0°120.0°
C7C9C10N2176.5°180.0°
H7C7C9C10179.4°180.0°
H7C7C9H9155.3°60.0°
H7C7C9H9254.1°60.0°
C10C8H81H82117.5°120.0°
C8C10C9N2117.7°120.0°
C8C10C9H9166.6°180.0°
C8C10C9H92176.0°60.0°
C8C10N2C12171.5°60.0°
C8C10N2HN28.5°120.0°
H81C8C10C9176.0°60.0°
H81C8C10N256.4°60.0°
H82C8C10C966.5°180.0°
H82C8C10N253.1°60.0°
C10C9H91H92118.0°120.1°
C9C10N2C1253.2°60.0°
C9C10N2HN2126.8°119.9°
H91C9C10N251.2°60.0°
H92C9C10N258.3°60.0°
C10N2C12N1158.2°179.9°
C10N2C12HN2180.0°179.9°
C10N2C12O121.7°0.0°
C12N1C11HN1125.2°179.8°
N1C12N2O1180.0°179.9°
N1C12N2HN221.8°0.0°
C12N1C11C14141.3°180.0°
C12N1C11H11193.4°60.1°
C12N1C11H11216.0°59.9°
C11N1C12N2173.0°179.9°
C11N1C12O17.0°0.1°
N1C11C14H111125.3°119.9°
N1C11C14H112125.3°120.1°
N1C11H111H112117.2°120.1°
N1C11C14C13130.1°89.9°
N1C11C14C1550.4°90.1°
HN1N1C12N261.8°0.1°
HN1N1C12O1118.2°180.0°
HN1N1C11C1493.5°0.1°
HN1N1C11H11131.8°120.0°
HN1N1C11H112141.3°120.0°
O1C12N2HN2158.2°179.9°
C14C11H111H112117.2°120.0°
C11C14C13C15179.4°179.9°
C11C14C13C18169.8°179.8°
C11C14C13H1310.2°0.1°
C11C14C15C16173.1°180.0°
C11C14C15H156.9°0.0°
H111C11C14C134.8°30.1°
H111C11C14C15175.8°150.0°
H112C11C14C13104.6°150.0°
H112C11C14C1574.8°30.0°
C14C13C18H13180.0°180.0°
C13C14C15C166.4°0.1°
C13C14C15H15173.7°180.0°
C14C13C18C176.6°0.4°
C14C13C18H18173.3°179.9°
C18C13C14C159.6°0.1°
C13C18C17C160.4°0.5°
C13C18C17H18180.0°179.5°
C13C18C17N3179.5°179.9°
H13C13C14C15170.4°179.9°
H13C13C18C17173.4°179.6°
H13C13C18H186.6°0.1°
C14C15C16H15180.0°179.9°
C14C15C16C170.2°0.0°
C14C15C16H16179.8°180.0°
C15C16C17H16180.0°179.9°
C15C16C17C182.8°0.3°
C15C16C17N3176.5°179.9°
H15C15C16C17179.9°179.9°
H15C15C16H160.2°0.0°
C16C17C18N3179.1°179.6°
C16C17C18H18179.6°179.9°
C16C17N3C19142.8°139.5°
C16C17N3HN391.9°40.5°
H16C16C17C18177.2°179.7°
H16C16C17N33.5°0.1°
C18C17N3C1936.4°40.9°
C18C17N3HN388.9°139.1°
N3C17C18H180.5°0.3°
C17N3C19HN3125.3°180.0°
C17N3C19N49.6°174.2°
C17N3C19N5170.3°5.7°
N3C19N4N5179.9°180.0°
N3C19N4HN412.1°5.5°
N3C19N5HN51180.0°180.0°
N3C19N5HN5254.7°0.3°
HN3N3C19N4134.9°5.8°
HN3N3C19N545.0°174.2°
N4C19N5HN510.1°0.0°
N4C19N5HN52125.2°179.7°
HN4N4C19N5168.0°174.4°
C19N5HN51HN52125.3°179.7°

223532

PDB entries from 2024-08-07

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