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XAC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1doub1.22Å1.24Å
C1N2sing1.35Å1.37Å
C1C5sing1.41Å1.45Å
N1C2sing1.35Å1.38Å
N1C4sing1.39Å1.42Å
N1C8sing1.46Å1.47Å
C2N2sing1.34Å1.39Å
C2O2doub1.22Å1.24Å
N2C6sing1.46Å1.48Å
C3N3doub1.32Å1.35ÅAromatic
C3N4sing1.36Å1.35ÅAromatic
C3C15sing1.48Å1.47ÅAromatic
N3C4sing1.33Å1.40ÅAromatic
O3C12sing1.36Å1.38Å
O3C18sing1.43Å1.42Å
C4C5doub1.39Å1.34ÅAromatic
N4C5sing1.38Å1.38ÅAromatic
O4C19doub1.21Å1.23Å
N5C19sing1.35Å1.34Å
N5C20sing1.46Å1.46Å
C6C7sing1.53Å1.54Å
N6C21sing1.47Å1.45Å
C7C11sing1.53Å1.53Å
C8C9sing1.53Å1.54Å
C9C10sing1.53Å1.53Å
C12C13doub1.39Å1.42ÅAromatic
C12C17sing1.39Å1.41ÅAromatic
C13C14sing1.38Å1.41ÅAromatic
C14C15doub1.40Å1.41ÅAromatic
C15C16sing1.40Å1.41ÅAromatic
C16C17doub1.38Å1.41ÅAromatic
C18C19sing1.51Å1.53Å
C20C21sing1.53Å1.54Å
N4HN4sing0.97Å1.00Å
N5HN5sing0.97Å1.00Å
C6H6sing1.09Å1.10Å
C6H6Asing1.09Å1.10Å
N6HN6sing1.01Å1.00Å
N6HN6Asing1.01Å1.00Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8H8sing1.09Å1.10Å
C8H8Asing1.09Å1.10Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C10H10sing1.09Å1.10Å
C10H10Asing1.09Å1.10Å
C10H10Bsing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C11H11Bsing1.09Å1.10Å
C13H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C18H18sing1.09Å1.10Å
C18H18Asing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1N2125.7°120.4°
O1C1C5120.2°120.4°
N2C1C5114.1°119.3°
C1N2C2124.2°121.0°
C1N2C6117.2°119.5°
C1C5C4124.2°119.1°
C1C5N4129.2°134.4°
C2N1C4120.3°120.1°
C2N1C8121.6°119.9°
N1C2N2119.0°121.7°
N1C2O2120.0°119.2°
C4N1C8118.0°120.0°
N1C4N3131.4°133.6°
N1C4C5118.1°118.8°
N1C8C9111.9°109.5°
N1C8H8108.7°109.4°
N1C8H8A108.7°109.5°
N2C2O2121.0°119.2°
C2N2C6118.6°119.5°
N2C6C7111.4°109.5°
N2C6H6108.9°109.5°
N2C6H6A108.8°109.5°
N3C3N4111.2°109.3°
N3C3C15124.0°125.4°
C3N3C4104.3°109.9°
N4C3C15124.7°125.3°
C3N4C5107.4°106.8°
C3N4HN4126.3°126.7°
C3C15C14120.6°120.1°
C3C15C16120.8°120.1°
N3C4C5110.6°107.6°
C12O3C18118.1°117.0°
O3C12C13124.5°119.9°
O3C12C17116.8°119.9°
O3C18C19109.0°109.5°
O3C18H18109.6°109.5°
O3C18H18A109.6°109.5°
C4C5N4106.6°106.4°
C5N4HN4126.3°126.6°
O4C19N5122.5°120.0°
O4C19C18120.4°119.9°
C19N5C20125.6°120.0°
N5C19C18117.1°120.1°
C19N5HN5117.2°120.0°
N5C20C21109.9°109.5°
C20N5HN5117.2°120.0°
N5C20H20109.3°109.5°
N5C20H20A109.3°109.5°
C6C7C11112.9°109.5°
C7C6H6108.8°109.5°
C7C6H6A108.9°109.4°
C6C7H7108.4°109.5°
C6C7H7A108.4°109.5°
N6C21C20110.5°109.4°
C21N6HN6109.5°111.0°
C21N6HN6A109.5°111.0°
N6C21H21109.1°109.5°
N6C21H21A109.1°109.4°
C11C7H7108.3°109.5°
C11C7H7A108.4°109.5°
C7C11H11109.5°109.4°
C7C11H11A109.5°109.5°
C7C11H11B109.4°109.5°
C8C9C10112.3°109.4°
C9C8H8108.7°109.5°
C9C8H8A108.7°109.5°
C8C9H9108.5°109.4°
C8C9H9A108.5°109.5°
C10C9H9108.5°109.5°
C10C9H9A108.5°109.5°
C9C10H10109.5°109.4°
C9C10H10A109.5°109.5°
C9C10H10B109.4°109.5°
C13C12C17118.6°120.2°
C12C13C14120.6°120.1°
C12C13H13119.7°120.0°
C12C17C16120.9°120.1°
C12C17H17119.6°120.0°
C13C14C15120.7°119.9°
C14C13H13119.7°119.9°
C13C14H14119.7°120.0°
C14C15C16118.7°119.9°
C15C14H14119.7°120.1°
C15C16C17120.5°119.9°
C15C16H16119.7°120.1°
C17C16H16119.7°120.1°
C16C17H17119.6°119.9°
C19C18H18109.6°109.5°
C19C18H18A109.6°109.4°
C21C20H20109.3°109.4°
C21C20H20A109.3°109.4°
C20C21H21109.1°109.5°
C20C21H21A109.1°109.4°
H6C6H6A110.1°109.5°
HN6N6HN6A109.4°110.9°
H7C7H7A110.5°109.5°
H8C8H8A110.2°109.5°
H9C9H9A110.4°109.5°
H10C10H10A109.5°109.5°
H10C10H10B109.5°109.5°
H10AC10H10B109.5°109.5°
H11C11H11A109.5°109.5°
H11C11H11B109.4°109.5°
H11AC11H11B109.5°109.5°
H18C18H18A109.3°109.4°
H20C20H20A109.6°109.5°
H21C21H21A109.8°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1N2C5178.8°179.8°
O1C1N2C2178.5°180.0°
O1C1N2C64.3°0.0°
O1C1C5C4179.9°179.9°
O1C1C5N41.6°0.0°
C1N2C2N13.3°0.0°
C1N2C2C6177.2°180.0°
C1N2C2O2177.5°179.7°
N2C1C5C41.1°0.3°
N2C1C5N4177.2°179.7°
C1N2C6C787.7°90.0°
C1N2C6H632.3°150.0°
C1N2C6H6A152.3°30.0°
C1C5C4N10.1°0.0°
C5C1N2C22.8°0.3°
C5C1N2C6174.4°179.7°
C1C5N4C3178.7°180.0°
C1C5C4N3179.1°179.8°
C1C5C4N4178.6°180.0°
C1C5N4HN41.3°0.2°
C2N1C4C8178.3°179.8°
N1C2N2O2179.2°179.7°
N1C2N2C6173.9°180.0°
C2N1C4N3179.3°179.9°
C2N1C4C50.3°0.2°
C2N1C8C997.8°90.0°
C2N1C8H8142.2°150.0°
C2N1C8H8A22.2°30.0°
C4N1C2N21.9°0.3°
C4N1C2O2178.9°180.0°
N1C4N3C3178.5°179.9°
N1C4N3C5179.1°179.8°
N1C4C5N4178.7°180.0°
C4N1C8C984.0°89.7°
C4N1C8H836.0°30.2°
C4N1C8H8A156.0°150.2°
C8N1C2N2176.3°180.0°
C8N1C2O22.9°0.3°
C8N1C4N31.1°0.2°
C8N1C4C5178.0°180.0°
N1C8C9H8120.0°120.0°
N1C8C9H8A120.0°120.0°
N1C8C9C10172.7°180.0°
N1C8H8H8A119.0°120.0°
N1C8C9H967.4°60.0°
N1C8C9H9A52.6°60.0°
C2N2C6C789.7°90.0°
C2N2C6H6150.3°30.0°
C2N2C6H6A30.3°150.0°
O2C2N2C65.3°0.3°
N2C6C7H6120.0°120.0°
N2C6C7H6A120.0°120.0°
N2C6C7C11174.0°180.0°
N2C6H6H6A119.2°120.0°
N2C6C7H754.0°60.0°
N2C6C7H7A65.9°60.0°
N3C3N4C15178.8°179.6°
C3N3C4C50.6°0.3°
N3C3N4C50.2°0.2°
N3C3C15C142.2°0.0°
N3C3C15C16178.9°180.0°
N3C3N4HN4179.7°180.0°
N4C3N3C40.5°0.3°
C3N4C5C40.2°0.0°
C3N4C5HN4180.0°179.8°
N4C3C15C14176.5°179.6°
N4C3C15C162.4°0.5°
C15C3N3C4178.3°180.0°
C15C3N4C5178.6°179.8°
C3C15C14C13177.8°180.0°
C3C15C14C16178.9°180.0°
C3C15C16C17177.5°179.7°
C15C3N4HN41.4°0.3°
C3C15C14H142.2°0.0°
C3C15C16H162.5°0.0°
N3C4C5N40.5°0.2°
O3C12C13C17179.6°179.7°
O3C12C13C14177.7°180.0°
O3C12C17C16178.0°179.7°
C12O3C18C19169.4°180.0°
O3C12C13H132.3°0.0°
O3C12C17H172.0°0.0°
C12O3C18H1849.4°60.0°
C12O3C18H18A70.6°60.0°
O3C18C19O470.4°0.1°
O3C18C19N5109.3°180.0°
C18O3C12C139.2°180.0°
C18O3C12C17170.3°0.3°
O3C18C19H18120.0°120.1°
O3C18C19H18A120.0°120.0°
O3C18H18H18A120.2°120.0°
C4C5N4HN4179.9°179.8°
O4C19N5C18179.7°179.9°
O4C19N5C201.0°0.0°
O4C19N5HN5179.0°179.9°
O4C19C18H18169.6°120.0°
O4C19C18H18A49.6°120.1°
C19N5C20HN5180.0°180.0°
C19N5C20C21178.7°180.0°
N5C19C18H1810.7°59.9°
N5C19C18H18A130.7°60.0°
C19N5C20H2061.3°60.0°
C19N5C20H20A58.7°60.0°
N5C20C21N6179.8°180.0°
C20N5C19C18179.3°180.0°
N5C20C21H20120.0°120.0°
N5C20C21H20A120.0°120.0°
N5C20H20H20A119.9°120.1°
N5C20C21H2160.1°60.0°
N5C20C21H21A59.8°60.1°
C6C7C11H7120.0°120.0°
C6C7C11H7A120.0°120.0°
C7C6H6H6A119.2°120.0°
C6C7H7H7A118.6°120.0°
C6C7C11H11180.0°180.0°
C6C7C11H11A60.0°60.1°
C6C7C11H11B60.0°60.0°
N6C21C20H21120.0°120.0°
N6C21C20H21A120.0°119.9°
C21N6HN6HN6A120.0°123.9°
N6C21C20H2060.2°60.0°
N6C21C20H20A59.8°60.0°
N6C21H21H21A119.6°120.0°
C11C7C6H665.9°60.0°
C11C7C6H6A54.0°60.0°
C11C7H7H7A118.6°120.0°
C7C11H11H11A120.0°120.0°
C7C11H11H11B120.0°120.0°
C7C11H11AH11B120.0°120.1°
C8C9C10H9120.0°120.0°
C8C9C10H9A120.0°120.0°
C9C8H8H8A119.0°120.0°
C8C9H9H9A118.8°119.9°
C8C9C10H10180.0°180.0°
C8C9C10H10A60.0°60.0°
C8C9C10H10B60.0°60.0°
C10C9C8H852.6°60.0°
C10C9C8H8A67.3°60.0°
C10C9H9H9A118.8°120.1°
C9C10H10H10A120.0°120.0°
C9C10H10H10B120.0°120.0°
C9C10H10AH10B120.0°120.0°
C12C13C14H13180.0°180.0°
C12C13C14C150.5°0.0°
C13C12C17C161.6°0.5°
C12C13C14H14179.5°180.0°
C13C12C17H17178.4°179.7°
C17C12C13C141.9°0.2°
C12C17C16C150.0°0.5°
C12C17C16H17180.0°179.8°
C17C12C13H13178.1°179.7°
C12C17C16H16180.0°179.8°
C13C14C15H14180.0°180.0°
C13C14C15C161.1°0.0°
C14C15C16C171.4°0.3°
C15C14C13H13179.5°180.0°
C14C15C16H16178.6°180.0°
C15C16C17H16180.0°179.7°
C16C15C14H14178.8°180.0°
C15C16C17H17179.9°179.7°
C18C19N5HN50.7°0.0°
C19C18H18H18A120.2°119.9°
C21C20N5HN51.3°0.0°
C20C21N6HN6180.0°180.0°
C20C21N6HN6A60.0°56.1°
C21C20H20H20A119.8°119.9°
C20C21H21H21A119.5°120.0°
HN5N5C20H20118.7°120.0°
HN5N5C20H20A121.3°120.0°
H6C6C7H7174.1°180.0°
H6C6C7H7A54.1°60.0°
H6AC6C7H766.0°60.0°
H6AC6C7H7A174.1°180.0°
HN6N6C21H2160.0°60.0°
HN6N6C21H21A60.0°60.1°
HN6AN6C21H2160.0°63.9°
HN6AN6C21H21A180.0°176.1°
H7C7C11H1160.0°60.0°
H7C7C11H11A180.0°180.0°
H7C7C11H11B60.0°60.0°
H7AC7C11H1160.0°60.0°
H7AC7C11H11A60.1°59.9°
H7AC7C11H11B180.0°180.0°
H8C8C9H9172.6°180.0°
H8C8C9H9A67.4°60.0°
H8AC8C9H952.7°60.0°
H8AC8C9H9A172.7°180.0°
H9C9C10H1060.0°60.0°
H9C9C10H10A180.0°180.0°
H9C9C10H10B60.0°59.9°
H9AC9C10H1060.0°60.0°
H9AC9C10H10A60.0°60.0°
H9AC9C10H10B180.0°180.0°
H10C10H10AH10B120.0°120.0°
H11C11H11AH11B120.0°120.0°
H13C13C14H140.5°0.0°
H16C16C17H170.1°0.0°
H20C20C21H2159.9°60.0°
H20C20C21H21A179.8°179.9°
H20AC20C21H21179.9°180.0°
H20AC20C21H21A60.2°60.0°

222415

PDB entries from 2024-07-10

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