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6BF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19N5sing1.47Å1.45Å
C17N5sing1.47Å1.47Å
C17C18sing1.53Å1.54Å
N5C16sing1.47Å1.48Å
C16C15sing1.53Å1.55Å
C18N4sing1.47Å1.48Å
N4C15sing1.47Å1.47Å
N4C12sing1.40Å1.42Å
C11C12doub1.39Å1.42ÅAromatic
C11C10sing1.38Å1.41ÅAromatic
C12C13sing1.39Å1.43ÅAromatic
C10C9doub1.39Å1.41ÅAromatic
C13C14doub1.38Å1.41ÅAromatic
C9C14sing1.39Å1.42ÅAromatic
C9N3sing1.40Å1.42Å
N3N2sing1.40Å1.36ÅAromatic
N3C6sing1.35Å1.37ÅAromatic
N2C8doub1.31Å1.33ÅAromatic
C6C7doub1.37Å1.38ÅAromatic
C8C7sing1.41Å1.43ÅAromatic
C7C4sing1.48Å1.47Å
C22C23sing1.53Å1.55Å
C22N6sing1.47Å1.47Å
C4C5doub1.40Å1.43ÅAromatic
C4C3sing1.40Å1.43ÅAromatic
C23C24sing1.53Å1.55Å
N6C21sing1.47Å1.47Å
O1C3sing1.36Å1.39Å
O1C25sing1.43Å1.44Å
C24C25sing1.53Å1.54Å
C24C20sing1.53Å1.56Å
C21C20sing1.53Å1.55Å
C5C1sing1.38Å1.39ÅAromatic
C3C2doub1.38Å1.42ÅAromatic
C1N1doub1.32Å1.35ÅAromatic
C2N1sing1.32Å1.35ÅAromatic
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C11H3sing1.08Å1.08Å
C13H4sing1.08Å1.08Å
C14H5sing1.08Å1.08Å
C15H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C17H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H24sing1.09Å1.10Å
C24H25sing1.09Å1.10Å
C25H26sing1.09Å1.10Å
C25H27sing1.09Å1.10Å
C5H28sing1.08Å1.08Å
C6H29sing1.08Å1.08Å
C8H30sing1.08Å1.08Å
C10H31sing1.08Å1.08Å
N6H33sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C19N5C17107.6°111.0°
C19N5C16108.5°111.0°
N5C19H14109.5°109.4°
N5C19H15109.5°109.5°
N5C19H16109.5°109.5°
N5C17C18111.2°109.3°
C17N5C16111.5°110.9°
N5C17H10109.0°109.5°
N5C17H11109.0°109.5°
C17C18N4112.4°109.3°
C18C17H10109.1°109.5°
C18C17H11109.0°109.5°
C17C18H12108.7°109.5°
C17C18H13108.7°109.5°
N5C16C15109.3°109.4°
N5C16H8109.5°109.4°
N5C16H9109.5°109.5°
C16C15N4110.6°109.3°
C16C15H6109.2°109.4°
C16C15H7109.2°109.5°
C15C16H8109.5°109.5°
C15C16H9109.6°109.6°
C18N4C15113.5°110.9°
C18N4C12117.0°111.0°
N4C18H12108.8°109.5°
N4C18H13108.8°109.5°
C15N4C12122.2°111.0°
N4C15H6109.2°109.5°
N4C15H7109.2°109.5°
N4C12C11118.2°120.0°
N4C12C13123.5°120.0°
C12C11C10122.7°120.0°
C11C12C13118.3°120.0°
C12C11H3118.7°120.0°
C11C10C9118.8°120.0°
C10C11H3118.7°119.9°
C11C10H31120.6°120.0°
C12C13C14119.0°119.9°
C12C13H4120.5°120.0°
C10C9C14119.4°120.1°
C10C9N3120.6°120.0°
C9C10H31120.6°120.0°
C13C14C9121.8°120.0°
C14C13H4120.5°120.0°
C13C14H5119.1°119.9°
C14C9N3120.0°120.0°
C9C14H5119.1°120.1°
C9N3N2121.2°125.9°
C9N3C6127.5°125.9°
N2N3C6111.2°108.2°
N3N2C8106.2°108.6°
N3C6C7106.7°107.6°
N3C6H29126.6°126.2°
N2C8C7110.7°108.1°
N2C8H30124.7°125.9°
C6C7C8105.1°107.5°
C6C7C4129.2°126.2°
C7C6H29126.7°126.2°
C8C7C4125.7°126.2°
C7C8H30124.7°126.0°
C7C4C5118.0°120.9°
C7C4C3123.5°120.9°
C23C22N6110.7°109.5°
C22C23C24111.3°109.3°
C23C22H21109.1°109.4°
C23C22H22109.2°109.5°
C22C23H23109.0°109.5°
C22C23H24109.0°109.5°
C22N6C21115.0°111.2°
N6C22H21109.2°109.4°
N6C22H22109.2°109.5°
C22N6H33108.1°111.0°
C5C4C3118.3°118.2°
C4C5C1119.5°119.1°
C4C5H28120.3°120.5°
C4C3O1118.3°120.6°
C4C3C2117.1°118.9°
C23C24C25113.2°109.6°
C23C24C20110.0°109.2°
C24C23H23109.0°109.5°
C24C23H24109.0°109.5°
C23C24H25108.2°109.6°
N6C21C20112.8°109.6°
N6C21H19108.7°109.5°
N6C21H20108.6°109.5°
C21N6H33108.1°111.0°
C3O1C25121.2°117.0°
O1C3C2124.5°120.5°
O1C25C24108.4°109.5°
O1C25H26109.8°109.5°
O1C25H27109.7°109.4°
C25C24C20108.6°109.5°
C25C24H25108.5°109.5°
C24C25H26109.8°109.5°
C24C25H27109.8°109.4°
C24C20C21112.1°109.3°
C24C20H17108.8°109.6°
C24C20H18108.8°109.5°
C20C24H25108.2°109.5°
C21C20H17108.8°109.5°
C21C20H18108.8°109.5°
C20C21H19108.6°109.4°
C20C21H20108.6°109.4°
C5C1N1122.3°121.0°
C5C1H1118.9°119.6°
C1C5H28120.3°120.4°
C3C2N1123.4°120.8°
C3C2H2118.3°119.6°
C1N1C2119.2°122.0°
N1C1H1118.8°119.5°
N1C2H2118.3°119.6°
H6C15H7109.5°109.6°
H8C16H9109.5°109.4°
H10C17H11109.5°109.5°
H12C18H13109.5°109.5°
H14C19H15109.5°109.5°
H14C19H16109.5°109.4°
H15C19H16109.4°109.5°
H17C20H18109.4°109.5°
H19C21H20109.5°109.5°
H21C22H22109.4°109.5°
H23C23H24109.5°109.5°
H26C25H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C19N5C17C16118.9°123.8°
C19N5C17C18176.0°176.8°
C19N5C16C15178.2°176.8°
C19N5C16H858.3°56.8°
C19N5C16H961.8°63.2°
C19N5C17H1063.8°63.2°
C19N5C17H1155.7°56.9°
N5C19H14H15120.0°120.0°
N5C19H14H16120.0°120.0°
N5C19H15H16119.9°120.1°
N5C17C18H10120.2°120.0°
N5C17C18H11120.2°119.9°
C17N5C16C1559.9°59.4°
N5C17C18N451.1°58.4°
C17N5C16H860.1°179.3°
C17N5C16H9179.9°60.7°
N5C17H10H11119.2°120.1°
N5C17C18H1269.4°61.5°
N5C17C18H13171.5°178.3°
C17N5C19H14180.0°60.0°
C17N5C19H1560.0°180.0°
C17N5C19H1660.0°59.9°
C18C17N5C1657.1°59.4°
C17C18N4H12120.4°120.0°
C17C18N4H13120.4°119.9°
C17C18N4C1550.1°59.3°
C17C18N4C12158.9°176.8°
C18C17H10H11119.2°120.0°
C17C18H12H13118.6°120.1°
N5C16C15H8119.9°119.9°
N5C16C15H9120.0°120.0°
N5C16C15N457.0°58.4°
N5C16C15H6177.2°178.4°
N5C16C15H763.2°61.5°
N5C16H8H9120.1°120.0°
C16N5C17H10177.3°60.6°
C16N5C17H1163.2°179.3°
C16N5C19H1459.2°176.2°
C16N5C19H1560.9°56.2°
C16N5C19H16179.2°63.8°
C16C15N4C1853.0°59.3°
C16C15N4H6120.2°119.9°
C16C15N4H7120.2°120.0°
C16C15N4C12157.8°176.8°
C16C15H6H7119.5°120.0°
C15C16H8H9120.1°120.1°
C18N4C15C12149.3°123.9°
C18N4C12C1114.6°180.0°
C18N4C12C13166.5°0.0°
C18N4C15H6173.1°179.2°
C18N4C15H767.2°60.6°
N4C18C17H10171.3°61.6°
N4C18C17H1169.2°178.4°
N4C18H12H13118.7°120.1°
C15N4C12C11162.8°56.2°
C15N4C12C1318.3°123.8°
N4C15H6H7119.5°120.1°
N4C15C16H863.0°178.3°
N4C15C16H9177.0°61.6°
C15N4C18H1270.3°60.6°
C15N4C18H13170.5°179.3°
N4C12C11C13179.0°180.0°
N4C12C11C10179.7°180.0°
N4C12C13C14179.6°180.0°
N4C12C11H30.3°0.3°
N4C12C13H40.4°0.0°
C12N4C15H637.6°56.9°
C12N4C15H782.0°63.3°
C12N4C18H1280.6°63.2°
C12N4C18H1338.5°56.9°
C12C11C10H3180.0°179.7°
C12C11C10C91.4°0.0°
C11C12C13C141.5°0.0°
C11C12C13H4178.5°180.0°
C12C11C10H31178.6°180.0°
C10C11C12C131.3°0.0°
C11C10C9H31180.0°179.9°
C11C10C9C141.7°0.1°
C11C10C9N3178.6°180.0°
C12C13C14H4180.0°179.9°
C12C13C14C91.8°0.1°
C13C12C11H3178.7°179.7°
C12C13C14H5178.1°180.0°
C10C9C14C131.9°0.1°
C10C9C14N3179.8°179.9°
C10C9N3N217.8°180.0°
C10C9N3C6158.3°0.6°
C9C10C11H3178.6°179.7°
C10C9C14H5178.0°179.9°
C13C14C9H5180.0°180.0°
C13C14C9N3178.3°180.0°
C14C9N3N2161.9°0.1°
C14C9N3C621.9°179.5°
C9C14C13H4178.2°180.0°
C14C9C10H31178.3°180.0°
C9N3N2C6176.7°179.5°
C9N3N2C8179.9°180.0°
C9N3C6C7179.0°180.0°
N3C9C14H51.7°0.0°
C9N3C6H291.0°0.3°
N3C9C10H311.4°0.1°
N2N3C6C74.5°0.5°
N3N2C8C71.0°0.3°
N2N3C6H29175.5°179.8°
N3N2C8H30179.0°179.7°
C6N3N2C83.4°0.5°
N3C6C7H29180.0°179.7°
N3C6C7C83.6°0.3°
N3C6C7C4178.3°179.7°
N2C8C7C61.7°0.0°
N2C8C7H30180.0°180.0°
N2C8C7C4179.8°180.0°
C6C7C8C4178.1°179.9°
C6C7C4C5175.3°50.0°
C6C7C4C310.1°130.5°
C6C7C8H30178.3°180.0°
C8C7C4C52.4°129.9°
C8C7C4C3172.2°49.6°
C8C7C6H29176.4°180.0°
C7C4C5C3174.9°179.5°
C7C4C3O12.3°0.3°
C7C4C5C1179.0°180.0°
C7C4C3C2178.9°179.8°
C7C4C5H281.0°0.1°
C4C7C6H291.7°0.0°
C4C7C8H300.2°0.0°
C23C22N6H21120.2°120.0°
C23C22N6H22120.2°120.1°
C22C23C24H23120.3°120.0°
C22C23C24H24120.3°120.0°
C23C22N6C2155.6°61.7°
C22C23C24C25176.1°177.6°
C22C23C24C2054.4°57.6°
C23C22H21H22119.4°120.0°
C22C23H23H24119.2°120.1°
C22C23C24H2563.7°62.3°
C23C22N6H33176.4°174.2°
N6C22C23C2456.3°59.2°
C22N6C21H33120.8°124.1°
C22N6C21C2052.5°61.7°
C22N6C21H1967.9°178.3°
C22N6C21H20173.0°58.3°
N6C22H21H22119.4°120.0°
N6C22C23H2364.0°60.8°
N6C22C23H24176.5°179.1°
C5C4C3O1176.9°179.8°
C4C5C1H28180.0°179.9°
C5C4C3C24.3°0.7°
C4C5C1N13.8°0.0°
C4C5C1H1176.2°179.7°
C4C3O1C2178.7°179.5°
C4C3O1C25161.9°179.5°
C3C4C5C14.1°0.5°
C4C3C2N14.5°0.5°
C4C3C2H2175.5°179.5°
C3C4C5H28175.9°179.6°
C23C24C25O165.5°175.0°
C23C24C25C20122.5°119.8°
C23C24C25H25120.1°120.2°
C23C24C20H25118.1°120.0°
C23C24C20C2150.8°57.6°
C23C24C20H1769.6°177.6°
C23C24C20H18171.2°62.3°
C24C23C22H2163.9°60.8°
C24C23C22H22176.5°179.2°
C24C23H23H24119.1°120.1°
C23C24C25H2654.3°54.9°
C23C24C25H27174.7°65.0°
N6C21C20C2449.5°59.1°
N6C21C20H19120.5°120.0°
N6C21C20H20120.5°120.1°
N6C21C20H1770.9°179.1°
N6C21C20H18169.9°60.8°
N6C21H19H20118.5°120.0°
C21N6C22H2164.6°58.2°
C21N6C22H22175.8°178.2°
C3O1C25C24162.2°180.0°
O1C3C2N1176.8°179.9°
O1C3C2H23.2°0.0°
C3O1C25H2642.4°59.9°
C3O1C25H2778.0°60.1°
O1C25C24H26119.8°120.1°
O1C25C24H27119.8°119.9°
O1C25C24C20172.0°65.2°
C25O1C3C219.3°0.0°
O1C25C24H2554.6°54.8°
O1C25H26H27120.5°120.0°
C25C24C20H25117.5°120.1°
C25C24C20C21175.2°177.6°
C25C24C20H1754.8°62.4°
C25C24C20H1864.4°57.7°
C25C24C23H2355.8°57.6°
C25C24C23H2463.6°62.5°
C24C25H26H27120.5°119.9°
C24C20C21H17120.4°120.0°
C24C20C21H18120.4°119.9°
C24C20H17H18118.8°120.1°
C24C20C21H1971.0°179.1°
C24C20C21H20170.0°60.9°
C20C24C23H2365.9°62.4°
C20C24C23H24174.7°177.6°
C20C24C25H2668.2°174.7°
C20C24C25H2752.2°54.7°
C21C20H17H18118.8°120.1°
C20C21H19H20118.4°119.9°
C21C20C24H2567.3°62.4°
C20C21N6H33173.4°174.2°
C5C1N1H1180.0°179.7°
C5C1N1C23.8°0.3°
C3C2N1C14.2°0.0°
C3C2N1H2180.0°179.9°
C1N1C2H2175.9°180.0°
N1C1C5H28176.2°179.9°
C2N1C1H1176.2°180.0°
H1C1C5H283.9°0.2°
H3C11C10H311.4°0.3°
H4C13C14H51.9°0.0°
H6C15C16H857.2°61.7°
H6C15C16H962.9°58.3°
H7C15C16H8176.8°58.4°
H7C15C16H956.8°178.4°
H10C17C18H1250.9°178.5°
H10C17C18H1368.2°58.4°
H11C17C18H12170.4°58.4°
H11C17C18H1351.3°61.7°
H14C19H15H16120.0°120.0°
H17C20C21H19168.6°60.8°
H17C20C21H2049.6°59.1°
H17C20C24H25172.3°57.6°
H18C20C21H1949.4°59.2°
H18C20C21H2069.6°179.2°
H18C20C24H2553.1°177.7°
H19C21N6H3352.9°54.2°
H20C21N6H3366.2°65.8°
H21C22C23H23175.8°179.2°
H21C22C23H2456.3°59.2°
H21C22N6H3356.2°65.8°
H22C22C23H2356.2°59.2°
H22C22C23H2463.3°60.8°
H22C22N6H3363.4°54.1°
H23C23C24H25176.1°177.7°
H24C23C24H2556.6°57.7°
H25C24C25H26174.5°65.2°
H25C24C25H2765.2°174.8°

224931

PDB entries from 2024-09-11

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