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A1A1E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N4N5sing1.29Å1.39ÅAromatic
N4C7doub1.31Å1.30ÅAromatic
N5C6doub1.32Å1.32ÅAromatic
C7N3sing1.35Å1.37ÅAromatic
C6N3sing1.37Å1.37ÅAromatic
C6C3sing1.48Å1.48Å
N3C8sing1.46Å1.49Å
C4C3doub1.39Å1.39ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
C3N1sing1.33Å1.34ÅAromatic
C5C1doub1.38Å1.39ÅAromatic
C9C8sing1.53Å1.52Å
C8C10sing1.53Å1.52Å
N1C2doub1.32Å1.34ÅAromatic
C1C2sing1.39Å1.40ÅAromatic
C2N2sing1.39Å1.42Å
N2C12sing1.47Å1.47Å
N2C11sing1.34Å1.40Å
C12C13sing1.51Å1.50Å
O1C11doub1.22Å1.21Å
C11C14sing1.48Å1.48Å
C13C14doub1.40Å1.39ÅAromatic
C13C18sing1.38Å1.40ÅAromatic
C14C15sing1.40Å1.40ÅAromatic
C19C18sing1.51Å1.51Å
C19N6sing1.47Å1.49Å
C18C17doub1.38Å1.40ÅAromatic
C15C16doub1.38Å1.39ÅAromatic
C17C16sing1.38Å1.39ÅAromatic
C16H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
C15H3sing1.08Å1.08Å
C17H4sing1.08Å1.08Å
C4H5sing1.08Å1.08Å
C1H6sing1.08Å1.08Å
C7H7sing1.08Å1.08Å
C12H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C9H10sing1.09Å1.10Å
C9H11sing1.09Å1.10Å
C9H12sing1.09Å1.10Å
C10H13sing1.09Å1.10Å
C10H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C8H18sing1.09Å1.10Å
N6H19sing1.01Å1.00Å
N6H20sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N5N4C7107.3°110.0°
N4N5C6107.0°109.6°
N4C7N3111.3°107.6°
N4C7H7124.4°126.2°
N5C6N3110.8°106.9°
N5C6C3123.1°126.5°
C7N3C6103.6°105.9°
C7N3C8128.0°127.1°
N3C7H7124.3°126.2°
N3C6C3125.9°126.6°
C6N3C8127.5°127.0°
C6C3C4118.8°119.8°
C6C3N1118.4°119.7°
N3C8C9110.5°109.5°
N3C8C10110.2°109.5°
N3C8H18108.4°109.5°
C3C4C5118.6°119.3°
C4C3N1122.7°120.6°
C3C4H5120.7°120.4°
C4C5C1119.9°118.6°
C4C5H2120.1°120.7°
C5C4H5120.7°120.4°
C3N1C2117.8°121.5°
C5C1C2117.4°119.3°
C1C5H2120.0°120.7°
C5C1H6121.3°120.4°
C9C8C10111.6°109.4°
C8C9H10109.5°109.4°
C8C9H11109.5°109.5°
C8C9H12109.5°109.5°
C9C8H18108.0°109.4°
C8C10H13109.5°109.5°
C8C10H14109.5°109.5°
C8C10H15109.4°109.5°
C10C8H18108.0°109.5°
N1C2C1123.5°120.7°
N1C2N2113.9°119.6°
C1C2N2122.6°119.6°
C2C1H6121.3°120.3°
C2N2C12120.0°125.6°
C2N2C11127.4°125.6°
C12N2C11112.6°108.8°
N2C12C13102.3°106.2°
N2C12H8111.2°110.1°
N2C12H9111.3°110.2°
N2C11O1125.0°124.9°
N2C11C14105.9°110.3°
C12C13C14110.0°106.4°
C12C13C18129.5°133.2°
C13C12H8111.3°110.1°
C13C12H9111.2°110.1°
O1C11C14129.0°124.8°
C11C14C13108.9°108.3°
C11C14C15129.8°132.3°
C14C13C18120.2°120.4°
C13C14C15121.2°119.4°
C13C18C19119.4°120.0°
C13C18C17118.3°120.0°
C14C15C16118.6°119.8°
C14C15H3120.7°120.1°
C18C19N6113.0°109.4°
C19C18C17122.4°120.0°
C18C19H16108.6°109.4°
C18C19H17108.6°109.5°
N6C19H16108.6°109.4°
N6C19H17108.6°109.5°
C19N6H19109.5°111.0°
C19N6H20109.5°111.0°
C18C17C16121.3°120.2°
C18C17H4119.3°120.0°
C15C16C17120.3°120.4°
C15C16H1119.8°119.8°
C16C15H3120.7°120.1°
C17C16H1119.8°119.8°
C16C17H4119.4°119.9°
H8C12H9109.5°110.1°
H10C9H11109.5°109.5°
H10C9H12109.5°109.4°
H11C9H12109.4°109.5°
H13C10H14109.5°109.5°
H13C10H15109.5°109.5°
H14C10H15109.5°109.4°
H16C19H17109.5°109.5°
H19N6H20109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N5N4C7N31.3°0.0°
N4N5C6N30.5°0.0°
N4N5C6C3175.4°179.9°
N5N4C7H7178.7°179.7°
C7N4N5C61.1°0.0°
N4C7N3H7180.0°179.7°
N4C7N3C61.0°0.0°
N4C7N3C8168.4°179.7°
N5C6N3C70.3°0.0°
N5C6N3C3174.8°179.9°
N5C6N3C8169.2°179.7°
N5C6C3C415.8°0.1°
N5C6C3N1160.8°180.0°
C7N3C6C8169.4°179.7°
C7N3C6C3174.5°179.9°
C7N3C8C937.4°60.0°
C7N3C8C1086.4°60.0°
C7N3C8H18155.7°180.0°
N3C6C3C4170.0°180.0°
N3C6C3N113.4°0.1°
C6N3C8C9155.6°119.7°
C6N3C8C1080.6°120.3°
C6N3C7H7179.0°179.8°
C6N3C8H1837.4°0.3°
C3C6N3C816.1°0.2°
C6C3C4N1176.4°179.9°
C6C3C4C5179.6°180.0°
C6C3N1C2179.4°179.8°
C6C3C4H50.4°0.1°
N3C8C9C10123.0°120.0°
N3C8C9H18118.5°120.0°
N3C8C10H18118.3°120.1°
C8N3C7H711.6°0.0°
N3C8C9H10180.0°60.0°
N3C8C9H1160.0°180.0°
N3C8C9H1260.0°60.0°
N3C8C10H13180.0°59.9°
N3C8C10H1460.0°60.1°
N3C8C10H1560.0°180.0°
C3C4C5H5180.0°179.9°
C3C4C5C10.8°0.1°
C4C3N1C24.2°0.3°
C3C4C5H2179.2°179.8°
C5C4C3N13.2°0.1°
C4C5C1H2180.0°179.6°
C4C5C1C20.4°0.3°
C4C5C1H6179.6°179.7°
C3N1C2C13.0°0.5°
C3N1C2N2174.8°180.0°
N1C3C4H5176.8°180.0°
C5C1C2N10.7°0.5°
C5C1C2H6180.0°180.0°
C5C1C2N2176.9°180.0°
C1C5C4H5179.2°180.0°
C9C8C10H18118.6°120.0°
C8C9H10H11120.0°120.0°
C8C9H10H12120.0°120.0°
C8C9H11H12120.0°120.0°
C9C8C10H1356.9°60.0°
C9C8C10H14176.8°179.9°
C9C8C10H1563.1°60.0°
C10C8C9H1057.0°60.0°
C10C8C9H1163.0°60.0°
C10C8C9H12177.1°180.0°
C8C10H13H14120.0°120.0°
C8C10H13H15120.0°120.0°
C8C10H14H15120.0°120.0°
N1C2C1N2177.6°179.5°
N1C2N2C120.8°175.5°
N1C2N2C11176.2°4.5°
N1C2C1H6179.3°179.5°
C1C2N2C12177.0°5.0°
C1C2N2C116.0°175.0°
C2C1C5H2179.6°180.0°
C2N2C12C11177.4°180.0°
C2N2C12C13177.1°180.0°
C2N2C11O14.0°0.1°
C2N2C11C14179.6°180.0°
N2C2C1H63.1°0.0°
C2N2C12H858.3°60.8°
C2N2C12H964.0°60.8°
N2C12C13H8118.8°119.2°
N2C12C13H9118.8°119.3°
C12N2C11O1173.2°180.0°
C12N2C11C143.2°0.0°
N2C12C13C145.7°0.0°
N2C12C13C18179.2°179.6°
N2C12H8H9123.4°121.7°
C11N2C12C135.4°0.0°
N2C11O1C14175.6°179.9°
N2C11C14C130.6°0.0°
N2C11C14C15175.6°180.0°
C11N2C12H8124.3°119.2°
C11N2C12H9113.4°119.2°
C12C13C14C114.1°0.0°
C12C13C14C18174.2°179.7°
C12C13C14C15172.5°180.0°
C12C13C18C199.9°0.4°
C12C13C18C17170.3°179.9°
C13C12H8H9123.3°121.5°
O1C11C14C13176.9°179.9°
O1C11C14C150.6°0.0°
C11C14C13C15176.6°180.0°
C11C14C13C18178.3°179.7°
C11C14C15C16175.0°180.0°
C11C14C15H35.0°0.0°
C14C13C18C19177.3°180.0°
C14C13C18C172.6°0.3°
C13C14C15C160.9°0.0°
C13C14C15H3179.1°179.9°
C14C13C12H8124.5°119.2°
C14C13C12H9113.1°119.3°
C18C13C14C151.6°0.3°
C13C18C19C17179.9°179.7°
C13C18C19N6179.2°80.1°
C13C18C17C161.2°0.1°
C13C18C17H4178.8°180.0°
C18C13C12H862.0°60.4°
C18C13C12H960.3°61.1°
C13C18C19H1658.6°160.0°
C13C18C19H1760.3°39.9°
C14C15C16H3180.0°180.0°
C14C15C16C172.3°0.2°
C14C15C16H1177.7°180.0°
C18C19N6H16120.5°119.9°
C18C19N6H17120.5°120.0°
C19C18C17C16178.7°179.7°
C19C18C17H41.3°0.4°
C18C19H16H17118.4°120.0°
C18C19N6H19180.0°56.0°
C18C19N6H2060.0°180.0°
N6C19C18C170.7°100.3°
N6C19H16H17118.4°120.0°
C19N6H19H20120.0°124.0°
C18C17C16C151.3°0.2°
C18C17C16H4180.0°179.9°
C18C17C16H1178.7°180.0°
C17C18C19H16121.2°19.6°
C17C18C19H17119.8°139.7°
C15C16C17H1180.0°179.8°
C15C16C17H4178.7°179.7°
C17C16C15H3177.7°179.8°
H1C16C15H32.3°0.0°
H1C16C17H41.4°0.1°
H2C5C4H50.8°0.3°
H2C5C1H60.4°0.1°
H10C9H11H12120.0°120.0°
H10C9C8H1861.5°NaN°
H11C9C8H18178.4°60.0°
H12C9C8H1858.5°60.0°
H13C10H14H15120.0°120.0°
H13C10C8H1861.7°180.0°
H14C10C8H1858.3°60.0°
H15C10C8H18178.3°59.9°
H16C19N6H1959.4°63.9°
H16C19N6H20179.5°60.1°
H17C19N6H1959.5°176.0°
H17C19N6H2060.5°60.0°

238582

PDB entries from 2025-07-09

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