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IA0

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1C2sing1.51Å1.51Å
C2C3doub1.38Å1.39ÅAromatic
C2C27sing1.38Å1.39ÅAromatic
C3C4sing1.38Å1.39ÅAromatic
C27C7doub1.39Å1.39ÅAromatic
C4C5sing1.51Å1.51Å
C4C6doub1.38Å1.39ÅAromatic
C24C23sing1.53Å1.52Å
C23C25sing1.53Å1.54Å
C23N5sing1.47Å1.48Å
C25C13sing1.53Å1.53Å
C7C6sing1.39Å1.39ÅAromatic
C7N1sing1.40Å1.41Å
N6N7doub1.29Å1.31ÅAromatic
N6C19sing1.35Å1.38ÅAromatic
N7N8sing1.40Å1.34ÅAromatic
C12C11sing1.51Å1.50Å
C12N4sing1.48Å1.48Å
C19C18doub1.40Å1.39ÅAromatic
C19C20sing1.41Å1.38ÅAromatic
N3C11doub1.32Å1.34ÅAromatic
N3C8sing1.33Å1.34ÅAromatic
C18C17sing1.39Å1.39ÅAromatic
N5C15sing1.47Å1.46Å
N5C16sing1.35Å1.35Å
N1C8sing1.38Å1.35Å
N8C20sing1.37Å1.36ÅAromatic
C11C10sing1.39Å1.34ÅAromatic
C13N4sing1.47Å1.47Å
C13C14sing1.53Å1.53Å
N4C26sing1.48Å1.48Å
C20C21doub1.39Å1.39ÅAromatic
C15C14sing1.53Å1.51Å
C8N2doub1.32Å1.35ÅAromatic
C17C16sing1.48Å1.50Å
C17C22doub1.40Å1.39ÅAromatic
C16O1doub1.22Å1.23Å
C21C22sing1.37Å1.38ÅAromatic
C22F1sing1.35Å1.35Å
C10C26sing1.51Å1.50Å
C10C9doub1.38Å1.40ÅAromatic
N2C9sing1.32Å1.34ÅAromatic
C6H8sing1.08Å1.08Å
C5H6sing1.09Å1.10Å
C5H5sing1.09Å1.10Å
C5H7sing1.09Å1.10Å
C3H4sing1.08Å1.08Å
C1H3sing1.09Å1.10Å
C1H1sing1.09Å1.10Å
C1H2sing1.09Å1.10Å
N1H9sing0.97Å1.00Å
C9H10sing1.08Å1.08Å
C12H11sing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C14H14sing1.09Å1.10Å
C15H17sing1.09Å1.10Å
C15H16sing1.09Å1.10Å
C18H18sing1.08Å1.08Å
N8H19sing0.97Å1.00Å
C21H20sing1.08Å1.08Å
C23H21sing1.09Å1.10Å
C24H22sing1.09Å1.10Å
C24H23sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C25H26sing1.09Å1.10Å
C25H25sing1.09Å1.10Å
C26H28sing1.09Å1.10Å
C26H27sing1.09Å1.10Å
C27H29sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3121.2°119.9°
C1C2C27120.2°120.0°
C2C1H3109.5°109.5°
C2C1H1109.5°109.5°
C2C1H2109.5°109.5°
C3C2C27118.6°120.1°
C2C3C4121.5°120.1°
C2C3H4119.2°119.9°
C2C27C7121.2°119.9°
C2C27H29119.4°120.0°
C3C4C5121.2°119.9°
C3C4C6118.6°120.1°
C4C3H4119.3°120.0°
C27C7C6118.8°119.8°
C27C7N1121.9°120.1°
C7C27H29119.4°120.1°
C5C4C6120.2°120.0°
C4C5H6109.5°109.5°
C4C5H5109.5°109.5°
C4C5H7109.5°109.5°
C4C6C7121.3°119.9°
C4C6H8119.3°120.1°
C24C23C25112.7°109.6°
C24C23N5114.8°109.6°
C24C23H21105.9°109.7°
C23C24H22109.5°109.4°
C23C24H23109.5°109.5°
C23C24H24109.5°109.5°
C25C23N5110.5°108.8°
C23C25C13115.0°109.3°
C25C23H21105.8°109.6°
C23C25H26108.1°109.5°
C23C25H25108.0°109.5°
C23N5C15111.4°118.8°
C23N5C16130.5°120.6°
N5C23H21106.5°109.6°
C25C13N4111.8°109.5°
C25C13C14115.0°109.5°
C25C13H13106.9°109.4°
C13C25H26108.1°109.5°
C13C25H25108.1°109.5°
C6C7N1119.3°120.1°
C7C6H8119.4°120.0°
C7N1C8129.6°120.0°
C7N1H9115.2°120.0°
N7N6C19108.6°110.1°
N6N7N8107.9°109.5°
N6C19C18132.1°133.0°
N6C19C20108.1°107.6°
N7N8C20111.5°106.7°
N7N8H19124.3°126.6°
C11C12N4102.1°105.7°
C12C11N3126.3°132.6°
C12C11C10111.2°108.2°
C11C12H11111.3°110.2°
C11C12H12111.3°110.2°
C12N4C13120.0°111.0°
C12N4C26109.7°103.9°
N4C12H11111.3°110.2°
N4C12H12111.3°110.2°
C18C19C20119.9°119.4°
C19C18C17118.8°119.6°
C19C18H18120.6°120.2°
C19C20N8104.0°106.0°
C19C20C21121.3°120.3°
C11N3C8116.8°120.6°
N3C11C10122.4°119.2°
N3C8N1117.5°119.2°
N3C8N2124.3°121.6°
C18C17C16117.9°119.9°
C18C17C22120.7°120.3°
C17C18H18120.6°120.2°
C15N5C16117.8°120.6°
N5C15C14109.7°108.8°
N5C15H17109.4°109.6°
N5C15H16109.4°109.7°
N5C16C17121.7°120.0°
N5C16O1120.9°120.0°
N1C8N2118.3°119.2°
C8N1H9115.2°120.0°
N8C20C21134.7°133.7°
C20N8H19124.3°126.7°
C11C10C26110.7°108.4°
C11C10C9119.0°118.8°
N4C13C14108.1°109.5°
C13N4C26119.1°111.0°
N4C13H13107.7°109.4°
C13C14C15113.1°109.3°
C14C13H13107.0°109.5°
C13C14H15108.5°109.5°
C13C14H14108.5°109.5°
N4C26C10102.3°105.7°
N4C26H28111.2°110.2°
N4C26H27111.2°110.2°
C20C21C22118.7°120.1°
C20C21H20120.6°119.9°
C15C14H15108.5°109.5°
C15C14H14108.5°109.5°
C14C15H17109.4°109.6°
C14C15H16109.4°109.6°
C8N2C9118.2°120.8°
C16C17C22121.3°119.9°
C17C16O1117.4°120.0°
C17C22C21120.6°120.4°
C17C22F1120.5°119.8°
C21C22F1118.9°119.8°
C22C21H20120.6°120.0°
C26C10C9130.3°132.8°
C10C26H28111.3°110.2°
C10C26H27111.2°110.2°
C10C9N2119.4°119.0°
C10C9H10120.3°120.5°
N2C9H10120.3°120.5°
H6C5H5109.5°109.5°
H6C5H7109.5°109.4°
H5C5H7109.5°109.5°
H3C1H1109.5°109.5°
H3C1H2109.5°109.4°
H1C1H2109.5°109.4°
H11C12H12109.5°110.2°
H15C14H14109.5°109.5°
H17C15H16109.5°109.5°
H22C24H23109.5°109.5°
H22C24H24109.4°109.4°
H23C24H24109.5°109.5°
H26C25H25109.5°109.5°
H28C26H27109.5°110.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3C27179.7°179.7°
C1C2C3C4179.9°180.0°
C1C2C27C7180.0°180.0°
C1C2C3H40.0°0.0°
C2C1H3H1120.0°120.0°
C2C1H3H2120.0°120.0°
C2C1H1H2120.0°120.0°
C1C2C27H290.0°0.3°
C2C3C4H4180.0°180.0°
C3C2C27C70.3°0.3°
C2C3C4C5179.5°180.0°
C2C3C4C60.3°0.1°
C3C2C1H390.1°90.0°
C3C2C1H1149.9°150.0°
C3C2C1H229.9°30.0°
C3C2C27H29179.7°180.0°
C27C2C3C40.3°0.3°
C2C27C7H29180.0°179.7°
C2C27C7C60.2°0.0°
C2C27C7N1179.6°180.0°
C27C2C3H4179.7°179.7°
C27C2C1H390.1°89.7°
C27C2C1H129.9°30.3°
C27C2C1H2149.9°150.3°
C3C4C5C6179.8°179.9°
C3C4C6C70.2°0.2°
C3C4C6H8179.8°179.9°
C3C4C5H690.1°90.0°
C3C4C5H5149.9°30.0°
C3C4C5H729.9°150.1°
C27C7C6C40.2°0.3°
C27C7C6N1179.8°179.9°
C27C7N1C848.8°33.4°
C27C7C6H8179.8°180.0°
C27C7N1H9131.2°146.7°
C5C4C6C7179.6°179.7°
C5C4C6H80.4°0.0°
C4C5H6H5120.0°120.0°
C4C5H6H7120.0°120.0°
C4C5H5H7120.0°120.0°
C5C4C3H40.5°0.0°
C4C6C7H8180.0°179.7°
C4C6C7N1179.6°179.8°
C6C4C5H690.1°90.0°
C6C4C5H529.9°150.0°
C6C4C5H7149.9°30.0°
C6C4C3H4179.8°180.0°
C24C23C25N5129.8°119.8°
C24C23C25H21115.3°120.5°
C24C23N5H21116.8°120.4°
C24C23C25C13124.4°65.1°
C24C23N5C15179.8°66.2°
C24C23N5C166.4°113.8°
C23C24H22H23120.0°120.0°
C23C24H22H24120.0°119.9°
C23C24H23H24120.0°120.0°
C24C23C25H26114.8°54.8°
C24C23C25H253.6°174.9°
C25C23N5H21114.5°119.8°
C23C25C13H26120.8°119.9°
C23C25C13H25120.8°120.0°
C25C23N5C1551.1°53.6°
C25C23N5C16135.1°126.4°
C23C25C13N4166.4°178.6°
C23C25C13C1442.7°61.4°
C23C25C13H1376.0°58.7°
C25C23C24H22180.0°60.0°
C25C23C24H2360.0°180.0°
C25C23C24H2460.0°59.9°
C23C25H26H25117.5°120.1°
N5C23C25C135.5°54.6°
C23N5C15C16174.7°180.0°
C23N5C15C1471.9°53.6°
C23N5C16C1729.7°174.5°
C23N5C16O1152.4°5.4°
C23N5C15H17168.0°173.4°
C23N5C15H1648.1°66.3°
N5C23C24H2252.4°179.3°
N5C23C24H2367.6°60.7°
N5C23C24H24172.4°59.3°
N5C23C25H26115.3°174.6°
N5C23C25H25126.3°65.4°
C25C13N4C1248.3°59.8°
C25C13N4C14127.5°120.1°
C25C13N4H13117.2°119.9°
C25C13C14H13118.6°120.0°
C25C13N4C26171.6°174.9°
C25C13C14C1523.3°61.4°
C25C13C14H1597.2°58.6°
C25C13C14H14143.8°178.7°
C13C25C23H21120.3°174.4°
C13C25H26H25117.5°120.1°
C6C7N1C8131.4°146.7°
C6C7N1H948.5°33.3°
C6C7C27H29179.8°179.7°
C7N1C8N36.3°175.1°
C7N1C8H9180.0°180.0°
C7N1C8N2173.9°5.2°
N1C7C6H80.4°0.1°
N1C7C27H290.4°0.3°
N7N6C19C18179.2°179.9°
N7N6C19C200.7°0.0°
N6N7N8C200.0°0.1°
N6N7N8H19180.0°179.9°
C19N6N7N80.4°0.0°
N6C19C18C20179.9°179.9°
N6C19C18C17178.3°180.0°
N6C19C20N80.7°0.0°
N6C19C20C21179.9°180.0°
N6C19C18H181.7°0.1°
N7N8C20C190.5°0.0°
N7N8C20H19180.0°179.9°
N7N8C20C21179.5°180.0°
C11C12N4H11118.8°119.1°
C11C12N4H12118.8°119.1°
C12C11N3C10179.4°179.6°
C12C11N3C8179.8°179.8°
C11C12N4C13162.9°146.8°
C11C12N4C2619.4°27.4°
C12C11C10C260.3°0.0°
C12C11C10C9179.9°180.0°
C11C12H11H12123.4°121.9°
N4C12C11N3167.8°162.9°
N4C12C11C1011.7°17.4°
C12N4C13C26140.1°115.1°
C12N4C13C14175.8°179.9°
C12N4C26C1019.6°27.4°
N4C12H11H12123.4°121.9°
C12N4C13H1368.9°60.1°
C12N4C26H2899.2°146.5°
C12N4C26H27138.5°91.7°
C19C18C17H18180.0°179.9°
C18C19C20N8179.3°180.0°
C18C19C20C210.0°0.1°
C19C18C17C16179.2°180.0°
C19C18C17C223.4°0.2°
C20C19C18C171.8°0.1°
C19C20N8C21179.1°179.9°
C19C20C21C220.3°0.2°
C20C19C18H18178.2°180.0°
C19C20N8H19179.5°179.9°
C19C20C21H20179.8°180.0°
C11N3C8N1179.4°179.7°
C11N3C8N20.4°0.5°
N3C11C10C26179.8°179.7°
N3C11C10C90.6°0.3°
N3C11C12H1173.4°78.0°
N3C11C12H1249.0°43.9°
N3C8N1N2179.8°179.7°
C8N3C11C100.7°0.5°
N3C8N2C90.1°0.2°
N3C8N1H9173.7°5.0°
C18C17C16N5109.3°49.8°
C18C17C16C22175.8°179.8°
C18C17C16O172.8°130.1°
C18C17C22C213.2°0.5°
C18C17C22F1178.9°179.7°
N5C15C14C1330.8°54.6°
N5C15C14H17120.0°119.8°
N5C15C14H16120.0°119.9°
C15N5C16C17156.9°5.5°
C15N5C16O121.0°174.5°
N5C15C14H15151.3°65.4°
N5C15C14H1489.7°174.6°
N5C15H17H16119.9°120.3°
C15N5C23H2163.3°173.4°
C16N5C15C14113.4°126.4°
N5C16C17O1178.0°180.0°
N5C16C17C2274.9°130.4°
C16N5C15H176.6°6.5°
C16N5C15H16126.6°113.7°
C16N5C23H21110.4°6.6°
N1C8N2C9179.7°180.0°
N8C20C21C22179.2°179.7°
N8C20C21H200.8°0.1°
C11C10C26N412.1°17.4°
C11C10C26C9179.5°180.0°
C11C10C9N20.2°0.0°
C11C10C9H10179.8°180.0°
C10C11C12H11107.1°101.7°
C10C11C12H12130.5°136.5°
C11C10C26H28106.7°136.4°
C11C10C26H27130.9°101.7°
N4C13C14H13115.7°120.0°
N4C13C14C15149.0°178.6°
C13N4C26C10163.5°146.8°
C13N4C12H1144.1°27.8°
C13N4C12H1278.3°94.1°
N4C13C14H1528.5°61.4°
N4C13C14H1490.5°58.6°
N4C13C25H2645.6°58.7°
N4C13C25H2572.8°61.4°
C13N4C26H2844.6°94.1°
C13N4C26H2777.7°27.8°
C14C13N4C2644.1°65.1°
C13C14C15H15120.5°120.0°
C13C14C15H14120.5°119.9°
C13C14H15H14118.3°120.0°
C13C14C15H17150.8°174.5°
C13C14C15H1689.2°65.3°
C14C13C25H2678.1°178.7°
C14C13C25H25163.5°58.6°
N4C26C10H28118.8°119.0°
N4C26C10H27118.8°119.1°
N4C26C10C9168.4°162.6°
C26N4C12H1199.4°91.6°
C26N4C12H12138.2°146.5°
C26N4C13H1371.2°55.0°
N4C26H28H27123.3°121.9°
C20C21C22C171.3°0.5°
C20C21C22H20180.0°179.9°
C20C21C22F1179.2°179.8°
C21C20N8H190.5°0.1°
C15C14C13H1395.3°58.6°
C15C14H15H14118.3°120.1°
C14C15H17H16119.9°120.3°
C8N2C9C100.0°0.0°
N2C8N1H96.1°174.8°
C8N2C9H10180.0°180.0°
C16C17C22C21178.9°179.7°
C16C17C22F13.2°0.0°
C16C17C18H180.8°0.1°
C22C17C16O1103.1°49.6°
C17C22C21F1177.9°179.8°
C22C17C18H18176.6°179.7°
C17C22C21H20178.6°179.7°
F1C22C21H200.7°0.1°
C26C10C9N2179.7°180.0°
C26C10C9H100.3°0.0°
C10C26H28H27123.4°121.9°
C10C9N2H10180.0°179.9°
C9C10C26H2872.8°43.6°
C9C10C26H2749.5°78.3°
H6C5H5H7120.0°120.0°
H3C1H1H2120.0°120.0°
H13C13C14H15144.2°178.6°
H13C13C14H1425.2°61.3°
H13C13C25H26163.2°61.3°
H13C13C25H2544.8°178.7°
H15C14C15H1788.6°54.5°
H15C14C15H1631.3°174.7°
H14C14C15H1730.3°65.6°
H14C14C15H16150.2°54.7°
H21C23C24H2264.7°60.4°
H21C23C24H23175.3°59.6°
H21C23C24H2455.3°179.7°
H21C23C25H260.5°65.6°
H21C23C25H25118.9°54.4°
H22C24H23H24120.0°120.0°

223532

PDB entries from 2024-08-07

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