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GXA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4N1sing1.46Å1.46Å
C3N1sing1.35Å1.35ÅAromatic
C3N2doub1.30Å1.33ÅAromatic
N1C1sing1.37Å1.36ÅAromatic
N2C2sing1.35Å1.38ÅAromatic
C1C2doub1.36Å1.37ÅAromatic
C2C6sing1.48Å1.48Å
C6C7doub1.40Å1.39ÅAromatic
C6C5sing1.39Å1.39ÅAromatic
C7C8sing1.38Å1.38ÅAromatic
C5C10doub1.40Å1.39ÅAromatic
F1C25sing1.40Å1.31Å
F2C25sing1.40Å1.32Å
C8C9doub1.39Å1.39ÅAromatic
C14C13sing1.53Å1.53Å
C14N4sing1.47Å1.47Å
C13C12sing1.53Å1.51Å
C10C9sing1.40Å1.40ÅAromatic
C10C11sing1.48Å1.50Å
O3C17doub1.21Å1.22Å
C25F3sing1.40Å1.31Å
C25O4sing1.43Å1.33Å
C9O2sing1.36Å1.37Å
C11O1doub1.22Å1.23Å
C11N3sing1.35Å1.32Å
N4C17sing1.35Å1.35Å
N4C15sing1.47Å1.47Å
C17C18sing1.51Å1.52Å
C12O2sing1.43Å1.47Å
C12C16sing1.53Å1.51Å
O4C22sing1.36Å1.40Å
C21C22doub1.39Å1.38ÅAromatic
C21C20sing1.38Å1.38ÅAromatic
C22C23sing1.39Å1.39ÅAromatic
C20C19doub1.38Å1.39ÅAromatic
C23C24doub1.38Å1.38ÅAromatic
C15C16sing1.53Å1.53Å
C19C24sing1.38Å1.39ÅAromatic
C19C18sing1.51Å1.51Å
N3H9sing0.97Å1.00Å
N3H10sing0.97Å1.00Å
C4H4sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C7H7sing1.08Å1.08Å
C13H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C20H22sing1.08Å1.08Å
C21H23sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C18H21sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C16H19sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C1H1sing1.08Å1.08Å
C3H2sing1.08Å1.08Å
C5H6sing1.08Å1.08Å
C12H11sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C23H24sing1.08Å1.08Å
C24H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C4N1C3127.0°126.3°
C4N1C1126.3°126.3°
N1C4H4109.5°109.5°
N1C4H3109.5°109.5°
N1C4H5109.5°109.5°
N1C3N2112.4°109.0°
C3N1C1106.7°107.4°
N1C3H2123.8°125.5°
C3N2C2104.3°109.2°
N2C3H2123.8°125.5°
N1C1C2106.5°106.7°
N1C1H1126.8°126.6°
N2C2C1110.2°107.7°
N2C2C6121.9°126.1°
C1C2C6127.8°126.1°
C2C1H1126.8°126.7°
C2C6C7120.9°120.0°
C2C6C5120.0°120.0°
C7C6C5119.1°120.1°
C6C7C8120.9°120.3°
C6C7H7119.6°119.9°
C6C5C10121.0°119.8°
C6C5H6119.5°120.2°
C7C8C9119.7°120.2°
C8C7H7119.5°119.8°
C7C8H8120.2°119.9°
C5C10C9118.5°119.8°
C5C10C11115.3°120.1°
C10C5H6119.5°120.1°
F1C25F2107.7°109.5°
F1C25F3106.8°109.5°
F1C25O4112.4°109.5°
F2C25F3107.7°109.5°
F2C25O4113.6°109.5°
C8C9C10120.7°120.0°
C8C9O2122.6°120.0°
C9C8H8120.2°119.9°
C13C14N4110.2°108.8°
C14C13C12110.5°109.3°
C14C13H12109.2°109.5°
C14C13H13109.2°109.5°
C13C14H15109.3°109.6°
C13C14H14109.3°109.6°
C14N4C17122.5°120.7°
C14N4C15109.2°118.7°
N4C14H15109.3°109.6°
N4C14H14109.3°109.6°
C13C12O2109.7°109.5°
C13C12C16111.8°109.6°
C12C13H12109.2°109.5°
C12C13H13109.2°109.5°
C13C12H11109.0°109.4°
C9C10C11125.8°120.2°
C10C9O2116.7°120.1°
C10C11O1119.1°120.0°
C10C11N3119.5°120.0°
O3C17N4121.6°119.9°
O3C17C18120.2°120.0°
F3C25O4108.4°109.4°
C25O4C22118.6°117.0°
C9O2C12120.0°117.0°
O1C11N3121.4°120.0°
C11N3H9120.0°120.1°
C11N3H10120.0°120.0°
C17N4C15127.7°120.6°
N4C17C18118.1°120.0°
N4C15C16110.5°108.8°
N4C15H17109.2°109.6°
N4C15H16109.2°109.6°
C17C18C19112.7°109.5°
C17C18H21108.7°109.5°
C17C18H20108.7°109.5°
O2C12C16107.7°109.5°
O2C12H11109.6°109.5°
C12C16C15110.6°109.3°
C12C16H19109.2°109.5°
C12C16H18109.2°109.5°
C16C12H11109.0°109.4°
O4C22C21118.8°120.0°
O4C22C23121.1°120.1°
C22C21C20119.6°120.0°
C21C22C23120.0°119.8°
C22C21H23120.2°120.0°
C21C20C19121.2°120.0°
C21C20H22119.4°120.0°
C20C21H23120.2°120.1°
C22C23C24119.7°120.0°
C22C23H24120.1°120.0°
C20C19C24118.3°120.1°
C20C19C18120.5°119.9°
C19C20H22119.4°120.0°
C23C24C19121.0°120.0°
C24C23H24120.1°120.0°
C23C24H25119.5°120.0°
C15C16H19109.2°109.5°
C15C16H18109.2°109.5°
C16C15H17109.2°109.6°
C16C15H16109.2°109.6°
C24C19C18121.1°119.9°
C19C24H25119.5°120.0°
C19C18H21108.7°109.5°
C19C18H20108.6°109.5°
H9N3H10120.0°120.0°
H4C4H3109.5°109.4°
H4C4H5109.5°109.5°
H3C4H5109.5°109.5°
H12C13H13109.5°109.5°
H21C18H20109.5°109.4°
H19C16H18109.4°109.5°
H15C14H14109.5°109.7°
H17C15H16109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C4N1C3C1177.6°180.0°
C4N1C3N2178.4°180.0°
C4N1C1C2177.6°180.0°
N1C4H4H3120.0°120.0°
N1C4H4H5120.0°120.1°
N1C4H3H5120.0°120.1°
C4N1C1H12.4°0.0°
C4N1C3H21.6°0.0°
N1C3N2H2180.0°180.0°
N1C3N2C21.2°0.0°
C3N1C1C20.0°0.0°
C3N1C4H4180.0°90.0°
C3N1C4H360.0°30.0°
C3N1C4H560.0°150.0°
C3N1C1H1180.0°180.0°
N2C3N1C10.8°0.0°
C3N2C2C11.2°0.0°
C3N2C2C6174.9°179.9°
N1C1C2N20.7°0.0°
N1C1C2H1180.0°179.9°
N1C1C2C6175.1°179.9°
C1N1C4H42.9°90.0°
C1N1C4H3122.9°150.0°
C1N1C4H5117.1°30.0°
C1N1C3H2179.2°180.0°
N2C2C1C6175.9°179.9°
N2C2C6C75.7°175.0°
N2C2C6C5172.8°4.9°
N2C2C1H1179.3°180.0°
C2N2C3H2178.8°180.0°
C1C2C6C7178.8°5.1°
C1C2C6C52.6°175.0°
C2C6C7C5178.6°180.0°
C2C6C7C8176.9°179.9°
C2C6C5C10175.0°180.0°
C2C6C7H73.1°0.3°
C6C2C1H14.9°0.1°
C2C6C5H65.0°0.1°
C6C7C8H7180.0°179.8°
C7C6C5C103.6°0.1°
C6C7C8C90.8°0.2°
C6C7C8H8179.2°179.7°
C7C6C5H6176.4°180.0°
C5C6C7C81.7°0.0°
C6C5C10H6180.0°179.9°
C6C5C10C92.9°0.4°
C6C5C10C11171.0°180.0°
C5C6C7H7178.3°179.8°
C7C8C9H8180.0°179.9°
C7C8C9C101.5°0.6°
C7C8C9O2178.5°179.9°
C5C10C9C80.4°0.6°
C5C10C9C11173.2°179.6°
C5C10C9O2179.7°180.0°
C5C10C11O136.6°179.9°
C5C10C11N3141.4°0.0°
F1C25F2F3114.8°120.0°
F1C25F2O4125.2°120.0°
F1C25F3O4121.3°120.0°
F1C25O4C2267.8°180.0°
F2C25F3O4123.3°120.0°
F2C25O4C2254.8°60.0°
C8C9C10O2179.9°179.4°
C8C9C10C11172.8°179.7°
C8C9O2C1245.0°5.5°
C9C8C7H7179.2°180.0°
C13C14N4H15120.1°119.8°
C13C14N4H14120.1°119.8°
C14C13C12H12120.1°120.0°
C14C13C12H13120.2°119.9°
C13C14N4C17108.2°126.5°
C13C14N4C1563.4°53.6°
C14C13C12O2170.8°178.7°
C14C13C12C1651.3°61.3°
C14C13H12H13119.5°120.1°
C14C13C12H1169.2°58.6°
C13C14H15H14119.7°120.3°
N4C14C13C1257.5°54.6°
C14N4C17O33.0°0.1°
C14N4C17C15170.0°179.9°
C14N4C17C18179.6°180.0°
C14N4C15C1663.0°53.6°
N4C14C13H1262.6°174.6°
N4C14C13H13177.7°65.3°
N4C14H15H14119.7°120.4°
C14N4C15H1757.1°173.4°
C14N4C15H16176.8°66.2°
C13C12O2C959.4°154.9°
C13C12O2C16122.0°120.1°
C13C12O2H11119.6°120.0°
C13C12C16H11120.5°120.0°
C13C12C16C1550.8°61.3°
C12C13H12H13119.5°120.0°
C13C12C16H1969.4°58.6°
C13C12C16H18171.0°178.7°
C12C13C14H1562.6°65.2°
C12C13C14H14177.6°174.4°
C9C10C11O1136.7°0.3°
C9C10C11N345.2°179.7°
C10C9O2C12135.1°175.1°
C10C9C8H8178.6°179.3°
C9C10C5H6177.1°179.7°
C11C10C9O27.1°0.4°
C10C11O1N3178.0°180.0°
C10C11N3H9178.0°0.0°
C10C11N3H102.0°179.7°
C11C10C5H69.0°0.1°
O3C17N4C18176.6°179.9°
O3C17N4C15166.9°180.0°
O3C17C18C1922.8°0.1°
O3C17C18H2197.7°120.1°
O3C17C18H20143.2°120.0°
F3C25O4C22174.4°60.0°
C25O4C22C2183.1°180.0°
C25O4C22C23100.2°0.1°
C9O2C12C16178.6°85.0°
O2C9C8H81.5°0.0°
C9O2C12H1160.2°34.9°
O1C11N3H90.0°180.0°
O1C11N3H10180.0°0.4°
C11N3H9H10180.0°179.7°
C17N4C15C16108.0°126.5°
N4C17C18C19160.6°180.0°
N4C17C18H2178.9°60.0°
N4C17C18H2040.1°59.9°
C17N4C14H15131.7°113.8°
C17N4C14H1411.9°6.7°
C17N4C15H17131.8°6.7°
C17N4C15H1612.1°113.8°
C15N4C17C189.6°0.1°
N4C15C16C1256.6°54.6°
N4C15C16H17120.1°119.8°
N4C15C16H16120.2°119.8°
N4C15C16H1963.6°65.3°
N4C15C16H18176.8°174.6°
C15N4C14H1556.7°66.2°
C15N4C14H14176.5°173.4°
N4C15H17H16119.5°120.3°
C17C18C19C2076.9°90.0°
C17C18C19C2498.7°90.0°
C17C18C19H21120.5°120.0°
C17C18C19H20120.5°120.0°
C17C18H21H20118.5°120.0°
O2C12C16H11118.9°120.0°
O2C12C16C15171.4°178.6°
O2C12C13H1250.7°58.6°
O2C12C13H1369.0°61.4°
O2C12C16H1951.2°61.5°
O2C12C16H1868.4°58.6°
C12C16C15H19120.2°119.9°
C12C16C15H18120.2°120.0°
C16C12C13H1268.8°178.7°
C16C12C13H13171.5°58.6°
C12C16H19H18119.5°120.1°
C12C16C15H1763.6°174.4°
C12C16C15H16176.7°65.2°
O4C22C21C23176.7°180.0°
O4C22C21C20176.8°179.9°
O4C22C23C24176.0°179.7°
O4C22C21H233.2°0.0°
O4C22C23H244.0°0.1°
C22C21C20H23180.0°180.0°
C22C21C20C190.3°0.0°
C21C22C23C240.7°0.3°
C22C21C20H22179.8°179.7°
C21C22C23H24179.3°180.0°
C20C21C22C230.1°0.0°
C21C20C19H22180.0°179.7°
C21C20C19C241.4°0.3°
C21C20C19C18174.3°179.7°
C22C23C24H24180.0°179.7°
C22C23C24C191.9°0.6°
C23C22C21H23179.9°180.0°
C22C23C24H25178.2°180.0°
C20C19C24C232.2°0.6°
C20C19C24C18175.7°180.0°
C19C20C21H23179.7°180.0°
C20C19C18H21162.6°150.0°
C20C19C18H2043.6°30.0°
C20C19C24H25177.8°180.0°
C23C24C19H25180.0°179.4°
C23C24C19C18173.5°179.5°
C15C16H19H18119.5°120.1°
C15C16C12H1169.7°58.6°
C16C15H17H16119.5°120.4°
C24C19C20H22178.6°180.0°
C24C19C18H2121.8°30.1°
C24C19C18H20140.9°150.0°
C19C24C23H24178.2°179.7°
C18C19C20H225.7°0.0°
C19C18H21H20118.5°120.0°
C18C19C24H256.5°0.0°
H4C4H3H5120.0°120.0°
H7C7C8H80.8°0.1°
H12C13C12H11170.6°61.4°
H12C13C14H15177.2°54.9°
H12C13C14H1457.4°65.6°
H13C13C12H1150.9°178.6°
H13C13C14H1557.6°174.9°
H13C13C14H1462.2°54.5°
H22C20C21H230.2°0.3°
H19C16C12H11170.1°178.6°
H19C16C15H17176.2°54.4°
H19C16C15H1656.5°174.9°
H18C16C12H1150.4°61.3°
H18C16C15H1756.6°65.6°
H18C16C15H1663.1°54.9°
H24C23C24H251.8°0.3°

222624

PDB entries from 2024-07-17

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