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YXJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C19C18sing1.53Å1.52Å
C19C20sing1.53Å1.52Å
C18C17sing1.53Å1.51Å
C20C21sing1.53Å1.52Å
C15C16sing1.53Å1.51Å
C15N5sing1.47Å1.47Å
C16C12sing1.53Å1.52Å
C17N6sing1.47Å1.46Å
N5C14sing1.47Å1.47Å
C21N6sing1.47Å1.46Å
N6C4sing1.38Å1.36Å
C14C13sing1.53Å1.51Å
C12C13sing1.53Å1.53Å
C12C9sing1.51Å1.52Å
C8C9doub1.38Å1.39ÅAromatic
C8C7sing1.38Å1.39ÅAromatic
C4N3doub1.33Å1.34ÅAromatic
C4C3sing1.40Å1.40ÅAromatic
C9C10sing1.38Å1.39ÅAromatic
C7C6doub1.39Å1.39ÅAromatic
N3C5sing1.33Å1.34ÅAromatic
C3N2doub1.31Å1.33ÅAromatic
C10C11doub1.38Å1.39ÅAromatic
C6C11sing1.39Å1.39ÅAromatic
C6N4sing1.40Å1.41Å
C5N4sing1.38Å1.36Å
C5C2doub1.40Å1.43ÅAromatic
N2C2sing1.33Å1.34ÅAromatic
C2C1sing1.47Å1.50Å
C1O1doub1.22Å1.24Å
C1N1sing1.35Å1.32Å
C14H12sing1.09Å1.10Å
C14H13sing1.09Å1.10Å
C11H8sing1.08Å1.08Å
C7H5sing1.08Å1.08Å
C8H6sing1.08Å1.08Å
C10H7sing1.08Å1.08Å
C12H9sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
N1H2sing0.97Å1.00Å
N1H1sing0.97Å1.00Å
C3H3sing1.08Å1.08Å
C15H16sing1.09Å1.10Å
C15H15sing1.09Å1.10Å
C16H18sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
C17H19sing1.09Å1.10Å
C17H20sing1.09Å1.10Å
C18H22sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C19H23sing1.09Å1.10Å
C19H24sing1.09Å1.10Å
C20H25sing1.09Å1.10Å
C20H26sing1.09Å1.10Å
C21H28sing1.09Å1.10Å
C21H27sing1.09Å1.10Å
N4H4sing0.97Å1.00Å
N5H14sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C19C20110.6°109.1°
C19C18C17111.0°109.3°
C19C18H22109.1°109.5°
C19C18H21109.1°109.6°
C18C19H23109.2°109.5°
C18C19H24109.2°109.5°
C19C20C21111.1°109.3°
C20C19H23109.2°109.6°
C20C19H24109.2°109.5°
C19C20H25109.1°109.5°
C19C20H26109.1°109.4°
C18C17N6108.9°109.6°
C18C17H19109.6°109.5°
C18C17H20109.6°109.5°
C17C18H22109.1°109.5°
C17C18H21109.1°109.5°
C20C21N6109.3°109.5°
C21C20H25109.1°109.5°
C21C20H26109.0°109.5°
C20C21H28109.5°109.5°
C20C21H27109.5°109.4°
C16C15N5111.9°109.5°
C15C16C12111.3°109.3°
C16C15H16108.8°109.5°
C16C15H15108.9°109.5°
C15C16H18109.0°109.5°
C15C16H17109.0°109.5°
C15N5C14111.9°111.2°
N5C15H16108.9°109.5°
N5C15H15108.9°109.4°
C15N5H14108.9°111.0°
C16C12C13109.3°109.2°
C16C12C9115.3°109.5°
C16C12H9106.9°109.6°
C12C16H18109.0°109.5°
C12C16H17109.0°109.5°
C17N6C21112.4°111.2°
C17N6C4123.4°111.1°
N6C17H19109.6°109.4°
N6C17H20109.6°109.4°
N5C14C13112.0°109.5°
N5C14H12108.8°109.5°
N5C14H13108.8°109.5°
C14N5H14108.9°111.0°
C21N6C4124.0°111.0°
N6C21H28109.5°109.5°
N6C21H27109.5°109.5°
N6C4N3117.8°120.0°
N6C4C3121.8°119.9°
C14C13C12111.8°109.3°
C13C14H12108.8°109.4°
C13C14H13108.8°109.5°
C14C13H11108.9°109.5°
C14C13H10108.9°109.5°
C13C12C9111.2°109.5°
C13C12H9106.8°109.5°
C12C13H11108.9°109.5°
C12C13H10108.9°109.5°
C12C9C8120.7°119.9°
C12C9C10121.7°120.0°
C9C12H9106.9°109.5°
C9C8C7121.7°120.1°
C8C9C10117.6°120.1°
C9C8H6119.2°120.0°
C8C7C6120.5°119.9°
C8C7H5119.7°120.1°
C7C8H6119.2°119.9°
N3C4C3120.4°120.1°
C4N3C5119.7°120.0°
C4C3N2120.9°120.2°
C4C3H3119.5°119.9°
C9C10C11121.5°120.1°
C9C10H7119.3°119.9°
C7C6C11118.4°119.8°
C7C6N4121.8°120.1°
C6C7H5119.8°120.0°
N3C5N4118.7°120.1°
N3C5C2119.5°119.7°
C3N2C2119.3°120.1°
N2C3H3119.5°119.9°
C10C11C6120.4°119.9°
C10C11H8119.8°120.1°
C11C10H7119.2°119.9°
C11C6N4119.8°120.1°
C6C11H8119.8°120.0°
C6N4C5130.9°120.0°
C6N4H4114.6°120.0°
N4C5C2121.8°120.1°
C5N4H4114.6°120.0°
C5C2N2120.2°119.8°
C5C2C1123.6°120.1°
N2C2C1116.2°120.1°
C2C1O1121.0°120.0°
C2C1N1115.7°120.0°
O1C1N1123.3°120.0°
C1N1H2120.0°120.0°
C1N1H1120.0°119.9°
H12C14H13109.5°109.4°
H11C13H10109.5°109.6°
H2N1H1120.0°120.1°
H16C15H15109.4°109.5°
H18C16H17109.5°109.6°
H19C17H20109.5°109.5°
H22C18H21109.5°109.5°
H23C19H24109.5°109.6°
H25C20H26109.5°109.5°
H28C21H27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C19C20H23120.1°119.9°
C18C19C20H24120.2°119.8°
C19C18C17H22120.2°119.9°
C19C18C17H21120.2°120.0°
C18C19C20C2153.0°57.7°
C19C18C17N657.1°59.1°
C19C18C17H19177.0°60.9°
C19C18C17H2062.8°179.2°
C19C18H22H21119.3°120.2°
C18C19H23H24119.5°120.1°
C18C19C20H25173.2°62.3°
C18C19C20H2667.3°177.6°
C20C19C18C1753.6°57.6°
C19C20C21H25120.3°120.0°
C19C20C21H26120.3°119.9°
C19C20C21N656.0°59.2°
C20C19C18H2266.6°62.3°
C20C19C18H21173.8°177.6°
C20C19H23H24119.5°120.2°
C19C20H25H26119.3°120.0°
C19C20C21H2864.0°179.2°
C19C20C21H27175.9°60.8°
C18C17N6H19119.9°120.0°
C18C17N6H20119.9°120.0°
C18C17N6C2162.0°61.7°
C18C17N6C4112.2°174.1°
C18C17H19H20120.3°120.0°
C17C18H22H21119.3°120.1°
C17C18C19H2366.6°177.6°
C17C18C19H24173.8°62.3°
C20C21N6C1761.5°61.7°
C20C21N6H28120.0°120.0°
C20C21N6H27119.9°120.0°
C20C21N6C4112.6°174.1°
C21C20C19H2367.2°177.6°
C21C20C19H24173.1°62.2°
C21C20H25H26119.2°120.1°
C20C21H28H27120.1°120.0°
C16C15N5H16120.4°120.0°
C16C15N5H15120.4°120.0°
C15C16C12H18120.3°119.9°
C15C16C12H17120.3°119.9°
C16C15N5C1437.3°61.7°
C15C16C12C1325.3°57.7°
C15C16C12C9100.8°177.6°
C15C16C12H9140.5°62.3°
C16C15H16H15118.9°120.0°
C15C16H18H17119.2°120.1°
C16C15N5H14157.7°62.4°
N5C15C16C1265.5°59.1°
C15N5C14H14120.4°124.1°
C15N5C14C1324.4°61.7°
C15N5C14H12144.7°58.3°
C15N5C14H1396.0°178.3°
N5C15H16H15118.9°120.0°
N5C15C16H1854.7°60.8°
N5C15C16H17174.2°179.0°
C16C12C13C1434.7°57.7°
C16C12C13C9128.4°119.9°
C16C12C13H9115.3°120.0°
C16C12C9H9118.6°120.2°
C16C12C9C831.9°120.3°
C16C12C9C10148.4°59.9°
C16C12C13H1185.7°62.3°
C16C12C13H10155.0°177.6°
C12C16C15H1654.9°179.2°
C12C16C15H15174.1°60.8°
C12C16H18H17119.2°120.1°
C17N6C21C4174.1°124.2°
C17N6C4N311.0°180.0°
C17N6C4C3171.5°0.2°
N6C17H19H20120.3°119.9°
N6C17C18H2263.2°60.8°
N6C17C18H21177.3°179.2°
C17N6C21H2858.5°178.3°
C17N6C21H27178.6°58.3°
N5C14C13H12120.4°120.0°
N5C14C13H13120.4°120.1°
N5C14C13C1263.8°59.1°
N5C14H12H13118.8°120.0°
N5C14C13H1156.6°60.8°
N5C14C13H10175.8°179.1°
C14N5C15H1683.1°178.3°
C14N5C15H15157.6°58.3°
C21N6C4N3162.5°55.7°
C21N6C4C315.0°124.5°
C21N6C17H19178.1°58.3°
C21N6C17H2057.9°178.3°
N6C21C20H25176.2°60.8°
N6C21C20H2664.3°179.1°
N6C21H28H27120.1°120.0°
N6C4N3C3177.5°179.8°
N6C4N3C5179.4°179.7°
N6C4C3N2179.0°179.8°
N6C4C3H31.0°0.2°
C4N6C17H197.7°65.8°
C4N6C17H20127.9°54.1°
C4N6C21H28127.4°54.1°
C4N6C21H277.3°65.9°
C14C13C12H11120.3°119.9°
C14C13C12H10120.3°119.9°
C14C13C12C9163.1°177.6°
C13C14H12H13118.8°119.9°
C14C13C12H980.6°62.3°
C14C13H11H10118.9°120.1°
C13C14N5H1496.0°62.4°
C13C12C9H9116.3°120.1°
C13C12C9C8157.0°120.0°
C13C12C9C1023.3°59.8°
C12C13C14H12175.9°60.9°
C12C13C14H1356.6°179.2°
C12C13H11H10118.9°120.1°
C13C12C16H1895.0°62.2°
C13C12C16H17145.5°177.6°
C12C9C8C10179.7°179.7°
C12C9C8C7179.8°180.0°
C12C9C10C11180.0°179.7°
C12C9C8H60.2°0.3°
C12C9C10H70.0°0.2°
C9C12C13H1142.7°57.6°
C9C12C13H1076.6°62.5°
C9C12C16H18138.9°57.7°
C9C12C16H1719.4°62.5°
C9C8C7H6180.0°179.6°
C9C8C7C61.0°0.0°
C8C9C10C110.3°0.5°
C9C8C7H5179.0°179.9°
C8C9C10H7179.7°179.9°
C8C9C12H986.8°0.1°
C7C8C9C100.5°0.3°
C8C7C6H5180.0°180.0°
C8C7C6C111.3°0.0°
C8C7C6N4179.7°179.8°
N3C4C3N21.6°0.0°
C4N3C5N4180.0°180.0°
C4N3C5C21.2°0.1°
N3C4C3H3178.4°180.0°
C3C4N3C51.9°0.1°
C4C3N2H3180.0°180.0°
C4C3N2C20.6°0.0°
C9C10C11H7180.0°179.5°
C9C10C11C60.6°0.5°
C9C10C11H8179.4°179.5°
C10C9C8H6179.5°179.9°
C10C9C12H992.9°179.9°
C7C6C11C101.1°0.2°
C7C6C11N4178.5°179.8°
C7C6N4C52.9°24.0°
C7C6C11H8179.0°179.7°
C6C7C8H6179.0°179.7°
C7C6N4H4177.1°156.0°
N3C5N4C68.6°10.9°
N3C5N4C2178.7°180.0°
N3C5C2N20.3°0.0°
N3C5C2C1179.8°180.0°
N3C5N4H4171.4°169.1°
C3N2C2C50.1°0.0°
C3N2C2C1179.9°179.9°
C10C11C6H8180.0°180.0°
C10C11C6N4179.5°180.0°
C11C6N4C5175.5°155.8°
C11C6C7H5178.7°180.0°
C6C11C10H7179.4°180.0°
C11C6N4H44.5°24.2°
C6N4C5H4180.0°180.0°
C6N4C5C2170.1°169.2°
N4C6C11H80.5°0.0°
N4C6C7H50.3°0.2°
N4C5C2N2179.0°180.0°
N4C5C2C11.1°0.1°
C5C2N2C1179.9°179.9°
C5C2C1O12.7°7.3°
C5C2C1N1176.9°172.7°
C2C5N4H49.9°10.8°
N2C2C1O1177.4°172.7°
N2C2C1N13.0°7.2°
C2N2C3H3179.4°180.0°
C2C1O1N1179.6°180.0°
C2C1N1H2179.6°180.0°
C2C1N1H10.4°0.0°
O1C1N1H20.0°0.0°
O1C1N1H1180.0°180.0°
C1N1H2H1180.0°180.0°
H12C14C13H1163.8°179.2°
H12C14C13H1055.5°59.1°
H12C14N5H1424.4°177.6°
H13C14C13H11176.9°59.3°
H13C14C13H1063.8°60.8°
H13C14N5H14143.6°57.7°
H8C11C10H70.6°0.0°
H5C7C8H61.0°0.3°
H9C12C13H11159.1°177.7°
H9C12C13H1039.8°57.6°
H9C12C16H1820.2°177.8°
H9C12C16H1799.3°57.6°
H16C15C16H18175.1°59.3°
H16C15C16H1765.4°60.9°
H16C15N5H1437.3°57.7°
H15C15C16H1865.6°179.3°
H15C15C16H1753.9°59.1°
H15C15N5H1482.0°177.6°
H19C17C18H2256.7°179.2°
H19C17C18H2162.8°59.2°
H20C17C18H22176.9°59.2°
H20C17C18H2157.4°60.8°
H22C18C19H23173.2°57.7°
H22C18C19H2453.5°177.8°
H21C18C19H2353.7°62.5°
H21C18C19H2466.0°57.7°
H23C19C20H2553.1°57.5°
H23C19C20H26172.6°62.5°
H24C19C20H2566.6°177.8°
H24C19C20H2652.9°57.8°
H25C20C21H2856.3°59.2°
H25C20C21H2763.8°179.2°
H26C20C21H28175.8°60.9°
H26C20C21H2755.7°59.1°

227344

PDB entries from 2024-11-13

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