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B6I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20N26sing1.47Å1.44Å
C9N26sing1.36Å1.37Å
C9C8doub1.34Å1.34Å
N26C10sing1.35Å1.39Å
C8C5sing1.46Å1.46Å
C10O30doub1.22Å1.23Å
C10C3sing1.46Å1.48Å
C5C3doub1.42Å1.38ÅAromatic
C5N23sing1.33Å1.34ÅAromatic
C3C6sing1.41Å1.38ÅAromatic
N23C7doub1.33Å1.34ÅAromatic
C6N29sing1.38Å1.40Å
C6N24doub1.33Å1.34ÅAromatic
N29C18sing1.47Å1.46Å
C7N24sing1.33Å1.34ÅAromatic
C7N28sing1.38Å1.40Å
C12C18sing1.53Å1.50Å
C12C11sing1.53Å1.50Å
C18C11sing1.53Å1.49Å
C18C19sing1.53Å1.48Å
N28C4sing1.41Å1.36Å
C4C1sing1.40Å1.42ÅAromatic
C4C2doub1.36Å1.37ÅAromatic
C1N22doub1.31Å1.34ÅAromatic
C2N25sing1.36Å1.37ÅAromatic
N22N25sing1.40Å1.34ÅAromatic
N25C17sing1.47Å1.46Å
C13C17sing1.53Å1.52Å
C13C15sing1.53Å1.52Å
C17C14sing1.53Å1.52Å
C14C16sing1.53Å1.51Å
C15N27sing1.47Å1.46Å
N27C16sing1.47Å1.46Å
N27C21sing1.47Å1.44Å
C1H1sing1.08Å1.08Å
C2H2sing1.08Å1.08Å
C8H3sing1.08Å1.08Å
C9H4sing1.08Å1.08Å
C11H5sing1.09Å1.10Å
C11H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C12H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C14H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C16H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C19H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C20H20sing1.09Å1.10Å
C20H21sing1.09Å1.10Å
C20H22sing1.09Å1.10Å
C21H23sing1.09Å1.10Å
C21H24sing1.09Å1.10Å
C21H25sing1.09Å1.10Å
N29H26sing0.97Å1.00Å
C17H27sing1.09Å1.10Å
N28H29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C20N26C9118.4°118.9°
C20N26C10117.7°118.9°
N26C20H20109.5°109.5°
N26C20H21109.5°109.5°
N26C20H22109.4°109.4°
N26C9C8122.6°122.5°
C9N26C10123.7°122.2°
N26C9H4118.7°118.7°
C9C8C5118.2°119.3°
C9C8H3120.9°120.3°
C8C9H4118.7°118.8°
N26C10O30123.6°120.4°
N26C10C3115.2°119.2°
C8C5C3120.2°118.2°
C8C5N23116.8°122.8°
C5C8H3120.9°120.3°
O30C10C3121.2°120.4°
C10C3C5120.2°118.6°
C10C3C6122.6°122.8°
C3C5N23123.0°119.0°
C5C3C6117.2°118.6°
C5N23C7116.2°120.2°
C3C6N29119.5°120.9°
C3C6N24120.0°118.2°
N23C7N24124.0°122.7°
N23C7N28117.4°118.7°
N29C6N24120.4°120.9°
C6N29C18121.0°120.0°
C6N29H26106.5°120.0°
C6N24C7119.5°121.3°
N29C18C12116.6°117.5°
N29C18C11118.2°117.5°
N29C18C19117.5°115.5°
C18N29H26106.5°119.9°
N24C7N28118.6°118.7°
C7N28C4128.7°120.1°
C7N28H29115.7°120.0°
C18C12C1159.6°59.9°
C12C18C1160.2°60.0°
C12C18C19114.8°117.5°
C18C12H7120.1°117.5°
C18C12H8120.0°117.5°
C12C11C1860.1°60.0°
C12C11H5120.0°117.5°
C12C11H6120.0°117.4°
C11C12H7120.1°117.5°
C11C12H8120.0°117.5°
C11C18C19116.9°117.5°
C18C11H5120.0°117.5°
C18C11H6120.0°117.5°
C18C19H17109.5°109.5°
C18C19H18109.5°109.5°
C18C19H19109.5°109.5°
N28C4C1129.9°126.0°
N28C4C2124.9°126.1°
C4N28H29115.7°120.0°
C1C4C2105.3°107.9°
C4C1N22112.0°108.3°
C4C1H1124.0°125.8°
C4C2N25105.2°107.5°
C4C2H2127.4°126.3°
C1N22N25103.3°108.4°
N22C1H1124.0°125.9°
C2N25N22114.3°107.9°
C2N25C17126.7°126.0°
N25C2H2127.4°126.2°
N22N25C17119.0°126.1°
N25C17C13111.5°109.5°
N25C17C14111.3°109.5°
N25C17H27107.6°109.5°
C17C13C15110.9°109.3°
C13C17C14112.4°109.2°
C17C13H9109.1°109.5°
C17C13H10109.1°109.5°
C13C17H27106.8°109.5°
C13C15N27109.2°109.5°
C15C13H9109.1°109.5°
C15C13H10109.1°109.5°
C13C15H13109.6°109.4°
C13C15H14109.5°109.4°
C17C14C16111.8°109.3°
C17C14H11108.9°109.5°
C17C14H12108.9°109.5°
C14C17H27106.9°109.6°
C14C16N27109.0°109.5°
C16C14H11108.9°109.5°
C16C14H12108.9°109.5°
C14C16H15109.6°109.5°
C14C16H16109.6°109.5°
C15N27C16109.5°111.2°
C15N27C21105.3°111.0°
N27C15H13109.6°109.5°
N27C15H14109.6°109.5°
C16N27C21105.7°111.0°
N27C16H15109.6°109.5°
N27C16H16109.6°109.4°
N27C21H23109.5°109.4°
N27C21H24109.5°109.5°
N27C21H25109.5°109.5°
H5C11H6109.5°115.6°
H7C12H8109.5°115.6°
H9C13H10109.5°109.6°
H11C14H12109.5°109.5°
H13C15H14109.5°109.5°
H15C16H16109.5°109.5°
H17C19H18109.5°109.4°
H17C19H19109.5°109.4°
H18C19H19109.5°109.5°
H20C20H21109.5°109.5°
H20C20H22109.5°109.5°
H21C20H22109.5°109.5°
H23C21H24109.5°109.5°
H23C21H25109.5°109.5°
H24C21H25109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C20N26C9C10174.4°180.0°
C20N26C9C8174.2°179.7°
C20N26C10O304.7°0.0°
C20N26C10C3174.5°180.0°
C20N26C9H45.8°0.0°
N26C20H20H21120.0°120.0°
N26C20H20H22120.0°119.9°
N26C20H21H22120.0°120.0°
N26C9C8H4180.0°179.7°
N26C9C8C50.4°0.3°
C9N26C10O30179.1°180.0°
C9N26C10C30.1°0.0°
N26C9C8H3179.5°179.7°
C9N26C20H20180.0°0.0°
C9N26C20H2160.0°120.0°
C9N26C20H2260.0°120.0°
C8C9N26C100.2°0.3°
C9C8C5H3180.0°180.0°
C9C8C5C30.4°0.0°
C9C8C5N23178.9°179.9°
N26C10O30C3179.2°180.0°
N26C10C3C50.2°0.3°
N26C10C3C6179.9°180.0°
C10N26C9H4179.8°180.0°
C10N26C20H205.3°180.0°
C10N26C20H21114.7°60.0°
C10N26C20H22125.3°60.1°
C8C5C3C100.1°0.3°
C8C5C3N23179.2°179.9°
C8C5C3C6179.8°180.0°
C8C5N23C7179.6°179.4°
C5C8C9H4179.5°179.9°
O30C10C3C5179.1°179.7°
O30C10C3C60.8°0.0°
C10C3C5C6179.9°179.7°
C10C3C5N23179.1°179.7°
C10C3C6N290.2°0.0°
C10C3C6N24178.9°180.0°
C3C5N23C70.4°0.7°
C5C3C6N29179.9°179.7°
C5C3C6N241.2°0.3°
C3C5C8H3179.6°180.0°
N23C5C3C61.0°0.1°
C5N23C7N240.1°1.0°
C5N23C7N28179.4°179.6°
N23C5C8H31.2°0.0°
C3C6N29N24178.7°179.9°
C3C6N29C18158.6°174.6°
C3C6N24C70.8°0.1°
C3C6N29H2636.9°5.4°
N23C7N24C60.2°0.6°
N23C7N24N28179.5°179.4°
N23C7N28C4173.0°0.6°
N23C7N28H297.0°179.4°
C6N29C18H26121.6°180.0°
N29C6N24C7179.5°180.0°
C6N29C18C12150.6°65.0°
C6N29C18C1181.8°133.7°
C6N29C18C1967.3°80.6°
N24C6N29C1822.7°5.4°
C6N24C7N28179.6°180.0°
N24C6N29H26144.4°174.7°
N29C18C12C11108.8°107.6°
N29C18C12C19143.1°144.9°
N29C18C11C19149.3°145.0°
N29C18C11H5144.3°145.0°
N29C18C11H63.3°0.0°
N29C18C12H7141.8°0.1°
N29C18C12H80.5°145.0°
N29C18C19H17180.0°159.4°
N29C18C19H1860.0°39.4°
N29C18C19H1960.0°80.7°
N24C7N28C47.5°180.0°
N24C7N28H29172.5°0.0°
C7N28C4H29180.0°180.0°
C7N28C4C119.0°0.1°
C7N28C4C2163.0°180.0°
C18C12C11H7109.4°107.5°
C18C12C11H8109.4°107.4°
C12C18C11C19104.5°107.5°
C18C12C11H5109.5°107.5°
C18C12C11H6109.5°107.5°
C18C12H7H8144.9°145.7°
C12C18C19H1737.2°55.0°
C12C18C19H18157.2°175.0°
C12C18C19H1982.8°64.9°
C12C18N29H2687.8°114.9°
C12C11H5H6144.7°145.6°
C11C12H7H8144.9°145.7°
C18C11H5H6144.7°145.7°
C11C18C19H1730.5°13.7°
C11C18C19H1889.5°106.3°
C11C18C19H19150.5°133.6°
C11C18N29H26156.6°46.3°
C19C18C11H55.0°0.0°
C19C18C11H6146.0°145.1°
C19C18C12H71.3°145.0°
C19C18C12H8142.5°0.1°
C18C19H17H18120.0°120.0°
C18C19H17H19120.0°120.0°
C18C19H18H19120.0°120.1°
C19C18N29H2654.3°99.5°
N28C4C1C2178.3°180.0°
N28C4C1N22178.3°180.0°
N28C4C2N25178.7°179.7°
N28C4C1H11.7°0.4°
N28C4C2H21.3°0.2°
C4C1N22H1180.0°179.6°
C1C4C2N250.3°0.2°
C4C1N22N250.3°0.3°
C1C4C2H2179.7°179.8°
C1C4N28H29161.0°179.9°
C2C4C1N220.0°0.1°
C4C2N25H2180.0°179.5°
C4C2N25N220.5°0.4°
C4C2N25C17179.8°179.6°
C2C4C1H1180.0°179.7°
C2C4N28H2917.0°0.1°
C1N22N25C20.5°0.5°
C1N22N25C17179.8°179.5°
C2N25N22C17179.4°180.0°
C2N25C17C1356.2°85.0°
C2N25C17C1470.3°34.7°
C2N25C17H27173.0°154.9°
N22N25C17C13123.1°95.0°
N22N25C17C14110.5°145.3°
N25N22C1H1179.7°179.9°
N22N25C2H2179.5°180.0°
N22N25C17H276.3°25.1°
N25C17C13C14125.8°119.9°
N25C17C13H27117.3°120.1°
N25C17C13C15173.5°177.5°
N25C17C14H27117.2°120.2°
N25C17C14C16173.2°177.6°
C17N25C2H20.2°0.1°
N25C17C13H966.3°57.7°
N25C17C13H1053.4°62.5°
N25C17C14H1152.9°62.5°
N25C17C14H1266.5°57.6°
C17C13C15H9120.2°119.9°
C17C13C15H10120.2°120.0°
C13C17C14H27116.9°119.9°
C13C17C14C1647.3°57.7°
C17C13C15N2756.9°59.2°
C17C13H9H10119.4°120.1°
C13C17C14H1173.1°177.6°
C13C17C14H12167.6°62.3°
C17C13C15H1363.0°60.9°
C17C13C15H14176.9°179.2°
C15C13C17C1447.7°57.6°
C13C15N27H13120.0°120.0°
C13C15N27H14119.9°120.0°
C13C15N27C1666.8°61.7°
C13C15N27C21180.0°174.2°
C15C13H9H10119.4°120.1°
C13C15H13H14120.1°119.9°
C15C13C17H2769.2°62.4°
C17C14C16H11120.3°119.9°
C17C14C16H12120.3°120.0°
C17C14C16N2755.4°59.1°
C14C17C13H9167.9°62.2°
C14C17C13H1072.5°177.6°
C17C14H11H12118.9°120.1°
C17C14C16H15175.3°179.2°
C17C14C16H1664.5°60.8°
C14C16N27C1565.7°61.7°
C14C16N27H15119.9°120.0°
C14C16N27H16119.9°120.0°
C14C16N27C21178.6°174.1°
C16C14H11H12118.9°120.1°
C14C16H15H16120.2°120.0°
C16C14C17H2769.6°62.3°
C15N27C16C21113.0°124.1°
N27C15C13H9177.1°60.7°
N27C15C13H1063.2°179.1°
N27C15H13H14120.2°120.0°
C15N27C16H15174.4°178.2°
C15N27C16H1654.2°58.2°
C15N27C21H23180.0°60.0°
C15N27C21H2460.0°180.0°
C15N27C21H2560.0°60.0°
N27C16C14H1164.9°179.1°
N27C16C14H12175.7°60.8°
C16N27C15H1353.2°58.3°
C16N27C15H14173.3°178.3°
N27C16H15H16120.2°119.9°
C16N27C21H2364.1°175.8°
C16N27C21H2455.8°55.7°
C16N27C21H25175.9°64.3°
C21N27C15H1360.0°65.8°
C21N27C15H1460.1°54.2°
C21N27C16H1561.4°54.1°
C21N27C16H1658.7°65.9°
N27C21H23H24120.0°120.0°
N27C21H23H25120.0°119.9°
N27C21H24H25120.0°120.0°
H3C8C9H40.5°0.1°
H5C11C12H70.1°145.0°
H5C11C12H8141.2°0.1°
H6C11C12H7141.1°0.0°
H6C11C12H80.2°145.1°
H9C13C15H1357.2°179.2°
H9C13C15H1462.9°59.3°
H9C13C17H2751.0°177.8°
H10C13C15H13176.8°59.1°
H10C13C15H1456.7°60.8°
H10C13C17H27170.6°57.6°
H11C14C16H1555.0°60.9°
H11C14C16H16175.1°59.1°
H11C14C17H27170.0°57.7°
H12C14C16H1564.3°59.2°
H12C14C16H1655.8°179.2°
H12C14C17H2750.7°177.8°
H17C19H18H19120.0°119.9°
H20C20H21H22120.0°120.0°
H23C21H24H25120.0°120.0°

222415

PDB entries from 2024-07-10

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