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6QZ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C1sing0.00Å1.51Å
C2C3sing0.00Å1.53Å
OC1doub0.00Å1.22Å
C1Nsing0.00Å1.34Å
C3C7sing0.00Å1.53Å
C3C4sing0.00Å1.54Å
NC4sing0.00Å1.49Å
NCsing0.00Å1.46Å
C7N1sing0.00Å1.47Å
C4C5sing0.00Å1.53Å
N1C8sing0.00Å1.48Å
N1C6sing0.00Å1.48Å
O1C22sing0.00Å1.43Å
O1C23sing0.00Å1.43Å
C22C21sing0.00Å1.51Å
C8C13sing0.00Å1.53Å
C8C9sing0.00Å1.54Å
C23C24sing0.00Å1.51Å
C5C6sing0.00Å1.53Å
C13C12sing0.00Å1.53Å
C12C11sing0.00Å1.52Å
C21C20sing0.00Å1.54Å
C9C10sing0.00Å1.54Å
C24C20sing0.00Å1.54Å
C10C11sing0.00Å1.53Å
C20C18sing0.00Å1.51Å
C11N2sing0.00Å1.47Å
N2C14sing0.00Å1.35Å
C18C17sing0.00Å1.46ÅAromatic
C18C19doub0.00Å1.37ÅAromatic
C14C17doub0.00Å1.46ÅAromatic
C14N3sing0.00Å1.36ÅAromatic
C17C16sing0.00Å1.41ÅAromatic
C19N5sing0.00Å1.37ÅAromatic
N3C15doub0.00Å1.34ÅAromatic
C16N5sing0.00Å1.36ÅAromatic
C16N4doub0.00Å1.34ÅAromatic
C15N4sing0.00Å1.34ÅAromatic
C2H1sing0.00Å1.10Å
C2H2sing0.00Å1.10Å
C3H3sing0.00Å1.10Å
C7H4sing0.00Å1.10Å
C7H5sing0.00Å1.10Å
C8H6sing0.00Å1.10Å
C9H7sing0.00Å1.10Å
C9H8sing0.00Å1.10Å
C10H9sing0.00Å1.10Å
C10H10sing0.00Å1.10Å
C11H11sing0.00Å1.10Å
C12H12sing0.00Å1.10Å
C12H13sing0.00Å1.10Å
C13H14sing0.00Å1.10Å
C13H15sing0.00Å1.10Å
C15H16sing0.00Å1.08Å
C19H17sing0.00Å1.08Å
C20H18sing0.00Å1.10Å
C21H19sing0.00Å1.10Å
C21H20sing0.00Å1.10Å
C22H21sing0.00Å1.10Å
C22H22sing0.00Å1.10Å
C24H23sing0.00Å1.10Å
C24H24sing0.00Å1.10Å
C6H26sing0.00Å1.10Å
C6H27sing0.00Å1.10Å
C5H28sing0.00Å1.10Å
C5H29sing0.00Å1.10Å
C4H30sing0.00Å1.10Å
CH31sing0.00Å1.10Å
CH32sing0.00Å1.10Å
CH33sing0.00Å1.10Å
N2H34sing0.00Å1.00Å
N5H35sing0.00Å1.00Å
C23H36sing0.00Å1.10Å
C23H37sing0.00Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1C2C3105.7°90.0°
C2C1O126.4°90.0°
C2C1N108.3°90.0°
C1C2H1110.4°90.0°
C1C2H2110.4°90.0°
C2C3C7118.6°90.0°
C2C3C4105.6°90.0°
C3C2H1110.4°90.0°
C3C2H2110.4°90.0°
C2C3H3106.7°90.0°
OC1N125.3°90.0°
C1NC4115.0°90.0°
C1NC123.0°90.0°
C7C3C4111.9°90.0°
C3C7N1112.3°90.0°
C7C3H3106.7°90.0°
C3C7H4108.8°90.0°
C3C7H5108.8°90.0°
C3C4N102.7°90.0°
C3C4C5113.7°90.0°
C4C3H3106.6°90.0°
C3C4H30108.5°90.0°
C4NC122.0°90.0°
NC4C5114.0°90.0°
NC4H30109.1°90.0°
NCH31109.5°90.0°
NCH32109.5°90.0°
NCH33109.5°90.0°
C7N1C8114.2°90.0°
C7N1C6109.4°90.0°
N1C7H4108.8°90.0°
N1C7H5108.8°90.0°
C4C5C6118.5°90.0°
C4C5H28107.2°90.0°
C4C5H29107.2°90.0°
C5C4H30108.6°90.0°
C8N1C6115.7°90.0°
N1C8C13108.2°90.0°
N1C8C9119.1°90.0°
N1C8H6105.3°90.0°
N1C6C5113.0°90.0°
N1C6H26108.5°90.0°
N1C6H27108.6°90.0°
C22O1C23110.8°90.0°
O1C22C21110.9°90.0°
O1C22H21109.1°90.0°
O1C22H22109.1°90.0°
O1C23C24111.3°90.0°
O1C23H36109.0°90.0°
O1C23H37109.0°90.0°
C22C21C20110.1°90.0°
C22C21H19109.3°90.0°
C22C21H20109.3°90.0°
C21C22H21109.1°90.0°
C21C22H22109.1°90.0°
C13C8C9113.3°90.0°
C8C13C12112.0°90.0°
C13C8H6104.8°90.0°
C8C13H14108.8°90.0°
C8C13H15108.8°90.0°
C8C9C10112.3°90.0°
C9C8H6104.7°90.0°
C8C9H7108.8°90.0°
C8C9H8108.8°90.0°
C23C24C20110.3°90.0°
C23C24H23109.2°90.0°
C23C24H24109.3°90.0°
C24C23H36109.0°90.0°
C24C23H37109.0°90.0°
C5C6H26108.6°90.0°
C5C6H27108.6°90.0°
C6C5H28107.2°90.0°
C6C5H29107.2°90.0°
C13C12C11110.9°90.0°
C13C12H12109.1°90.0°
C13C12H13109.1°90.0°
C12C13H14108.8°90.0°
C12C13H15108.8°90.0°
C12C11C10110.3°90.0°
C12C11N2111.2°90.0°
C12C11H11107.5°90.0°
C11C12H12109.1°90.0°
C11C12H13109.1°90.0°
C21C20C24109.9°90.0°
C21C20C18112.6°90.0°
C21C20H18108.6°90.0°
C20C21H19109.3°90.0°
C20C21H20109.3°90.0°
C9C10C11112.0°90.0°
C10C9H7108.7°90.0°
C10C9H8108.7°90.0°
C9C10H9108.8°90.0°
C9C10H10108.8°90.0°
C24C20C18108.4°90.0°
C24C20H18108.5°90.0°
C20C24H23109.3°90.0°
C20C24H24109.3°90.0°
C10C11N2112.1°90.0°
C11C10H9108.8°90.0°
C11C10H10108.8°90.0°
C10C11H11107.4°90.0°
C20C18C17126.6°90.0°
C20C18C19126.8°90.0°
C18C20H18108.9°90.0°
C11N2C14123.4°90.0°
N2C11H11108.2°90.0°
C11N2H34105.9°90.0°
N2C14C17122.1°90.0°
N2C14N3116.9°90.0°
C14N2H34105.9°90.0°
C17C18C19106.4°90.0°
C18C17C14141.0°90.0°
C18C17C16105.2°90.0°
C18C19N5110.5°90.0°
C18C19H17124.8°90.0°
C17C14N3120.8°90.0°
C14C17C16113.8°90.0°
C14N3C15116.9°90.0°
C17C16N5109.2°90.0°
C17C16N4125.5°90.0°
C19N5C16108.7°90.0°
N5C19H17124.8°90.0°
C19N5H35125.7°90.0°
N3C15N4128.6°90.0°
N3C15H16115.7°90.0°
N5C16N4125.3°90.0°
C16N5H35125.6°90.0°
C16N4C15114.3°90.0°
N4C15H16115.7°90.0°
H1C2H2109.5°90.0°
H4C7H5109.4°90.0°
H7C9H8109.5°90.0°
H9C10H10109.5°90.0°
H12C12H13109.4°90.0°
H14C13H15109.5°90.0°
H19C21H20109.5°90.0°
H21C22H22109.5°90.0°
H23C24H24109.5°90.0°
H26C6H27109.5°90.0°
H28C5H29109.5°90.0°
H31CH32109.5°90.0°
H31CH33109.5°90.0°
H32CH33109.5°90.0°
H36C23H37109.5°90.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1C2C3H1119.4°90.0°
C1C2C3H2119.4°90.0°
C2C1ON179.4°90.0°
C1C2C3C7110.8°90.0°
C1C2C3C415.6°90.0°
C2C1NC40.9°90.0°
C2C1NC178.6°90.0°
C1C2H1H2121.7°90.0°
C1C2C3H3128.8°90.0°
C3C2C1O171.1°90.0°
C3C2C1N9.5°90.0°
C2C3C7C4123.4°90.0°
C2C3C7H3120.4°90.0°
C2C3C4H3113.2°90.0°
C2C3C4N15.6°90.0°
C2C3C7N179.0°90.0°
C2C3C4C5139.2°90.0°
C3C2H1H2121.7°90.0°
C2C3C7H441.4°90.0°
C2C3C7H5160.5°90.0°
C2C3C4H3099.9°90.0°
OC1NC4178.6°90.0°
OC1NC0.8°90.0°
OC1C2H151.6°90.0°
OC1C2H269.6°90.0°
C1NC4C310.7°90.0°
C1NC4C177.8°90.0°
C1NC4C5134.2°90.0°
NC1C2H1128.9°90.0°
NC1C2H2109.9°90.0°
C1NC4H30104.3°90.0°
C1NCH31180.0°90.0°
C1NCH3260.0°90.0°
C1NCH3360.0°90.0°
C7C3C4H3116.3°90.0°
C7C3C4N114.8°90.0°
C3C7N1H4120.4°90.0°
C3C7N1H5120.4°90.0°
C7C3C4C58.8°90.0°
C3C7N1C8157.3°90.0°
C3C7N1C671.2°90.0°
C7C3C2H18.6°90.0°
C7C3C2H2129.8°90.0°
C3C7H4H5118.7°90.0°
C7C3C4H30129.7°90.0°
C3C4NC5123.5°90.0°
C3C4NH30115.0°90.0°
C3C4NC171.5°90.0°
C4C3C7N144.4°90.0°
C3C4C5H30120.9°90.0°
C3C4C5C638.2°90.0°
C4C3C2H1135.0°90.0°
C4C3C2H2103.8°90.0°
C4C3C7H4164.8°90.0°
C4C3C7H576.1°90.0°
C3C4C5H2883.1°90.0°
C3C4C5H29159.5°90.0°
NC4C5H30121.9°90.0°
NC4C5C679.0°90.0°
NC4C3H3128.8°90.0°
NC4C5H28159.7°90.0°
NC4C5H2942.3°90.0°
C4NCH312.4°90.0°
C4NCH32117.6°90.0°
C4NCH33122.4°90.0°
CNC4C548.1°90.0°
CNC4H3073.5°90.0°
NCH31H32120.0°90.0°
NCH31H33120.0°90.0°
NCH32H33120.0°90.0°
C7N1C8C6128.3°90.0°
C7N1C8C13130.2°90.0°
C7N1C8C998.4°90.0°
C7N1C6C539.3°90.0°
N1C7C3H3160.6°90.0°
N1C7H4H5118.7°90.0°
C7N1C8H618.6°90.0°
C7N1C6H26159.8°90.0°
C7N1C6H2781.2°90.0°
C4C5C6N113.5°90.0°
C4C5C6H28121.3°90.0°
C4C5C6H29121.3°90.0°
C5C4C3H3107.5°90.0°
C4C5C6H26107.0°90.0°
C4C5C6H27134.0°90.0°
C4C5H28H29115.9°90.0°
N1C8C13C9134.4°90.0°
N1C8C13H6112.0°90.0°
N1C8C9H6117.3°90.0°
C8N1C6C5170.0°90.0°
N1C8C13C12175.5°90.0°
N1C8C9C10176.5°90.0°
C8N1C7H436.8°90.0°
C8N1C7H582.3°90.0°
N1C8C9H763.1°90.0°
N1C8C9H856.1°90.0°
N1C8C13H1464.1°90.0°
N1C8C13H1555.1°90.0°
C8N1C6H2669.5°90.0°
C8N1C6H2749.4°90.0°
C6N1C8C13101.5°90.0°
C6N1C8C929.9°90.0°
N1C6C5H26120.5°90.0°
N1C6C5H27120.5°90.0°
C6N1C7H4168.3°90.0°
C6N1C7H549.2°90.0°
C6N1C8H6146.9°90.0°
N1C6H26H27118.4°90.0°
N1C6C5H28107.8°90.0°
N1C6C5H29134.8°90.0°
O1C22C21H21120.2°90.0°
O1C22C21H22120.2°90.0°
C22O1C23C2462.4°90.0°
O1C22C21C2058.1°90.0°
O1C22C21H19178.2°90.0°
O1C22C21H2062.0°90.0°
O1C22H21H22119.3°90.0°
C22O1C23H36177.3°90.0°
C22O1C23H3757.9°90.0°
C23O1C22C2163.4°90.0°
O1C23C24H36120.3°90.0°
O1C23C24H37120.3°90.0°
O1C23C24C2056.0°90.0°
C23O1C22H2156.9°90.0°
C23O1C22H22176.4°90.0°
O1C23C24H2364.2°90.0°
O1C23C24H24176.1°90.0°
O1C23H36H37119.1°90.0°
C22C21C20H19120.1°90.0°
C22C21C20H20120.1°90.0°
C22C21C20C2451.6°90.0°
C22C21C20C18172.5°90.0°
C22C21C20H1866.9°90.0°
C22C21H19H20119.7°90.0°
C21C22H21H22119.3°90.0°
C13C8C9H6113.6°90.0°
C8C13C12H14120.4°90.0°
C8C13C12H15120.4°90.0°
C8C13C12C1156.0°90.0°
C13C8C9C1047.4°90.0°
C13C8C9H7167.8°90.0°
C13C8C9H873.0°90.0°
C8C13C12H12176.2°90.0°
C8C13C12H1364.2°90.0°
C8C13H14H15118.9°90.0°
C9C8C13C1250.1°90.0°
C8C9C10H7120.4°90.0°
C8C9C10H8120.4°90.0°
C8C9C10C1150.9°90.0°
C8C9H7H8118.7°90.0°
C8C9C10H969.5°90.0°
C8C9C10H10171.3°90.0°
C9C8C13H1470.3°90.0°
C9C8C13H15170.4°90.0°
C23C24C20C2150.6°90.0°
C23C24C20H23120.1°90.0°
C23C24C20H24120.1°90.0°
C23C24C20C18174.1°90.0°
C23C24C20H1867.9°90.0°
C23C24H23H24119.6°90.0°
C24C23H36H37119.2°90.0°
C5C6H26H27118.4°90.0°
C6C5H28H29115.9°90.0°
C6C5C4H30159.1°90.0°
C13C12C11H12120.2°90.0°
C13C12C11H13120.2°90.0°
C13C12C11C1059.4°90.0°
C13C12C11N2175.6°90.0°
C12C13C8H663.5°90.0°
C13C12C11H1157.4°90.0°
C13C12H12H13119.3°90.0°
C12C13H14H15118.9°90.0°
C12C11C10C957.0°90.0°
C12C11C10N2124.5°90.0°
C12C11C10H11116.8°90.0°
C12C11N2H11117.8°90.0°
C12C11N2C14145.8°90.0°
C12C11C10H963.3°90.0°
C12C11C10H10177.4°90.0°
C11C12H12H13119.3°90.0°
C11C12C13H1464.3°90.0°
C11C12C13H15176.4°90.0°
C12C11N2H3423.9°90.0°
C21C20C24C18123.4°90.0°
C21C20C24H18118.5°90.0°
C21C20C18H18120.4°90.0°
C21C20C18C1766.0°90.0°
C21C20C18C19119.3°90.0°
C20C21H19H20119.7°90.0°
C20C21C22H2162.2°90.0°
C20C21C22H22178.3°90.0°
C21C20C24H2369.5°90.0°
C21C20C24H24170.8°90.0°
C9C10C11H9120.4°90.0°
C9C10C11H10120.4°90.0°
C9C10C11N2178.4°90.0°
C10C9C8H666.2°90.0°
C10C9H7H8118.7°90.0°
C9C10H9H10118.9°90.0°
C9C10C11H1159.8°90.0°
C24C20C18H18117.8°90.0°
C24C20C18C17172.2°90.0°
C24C20C18C192.5°90.0°
C24C20C21H19171.7°90.0°
C24C20C21H2068.5°90.0°
C20C24H23H24119.6°90.0°
C20C24C23H36176.2°90.0°
C20C24C23H3764.3°90.0°
C10C11N2H11118.2°90.0°
C10C11N2C1490.2°90.0°
C11C10C9H7171.4°90.0°
C11C10C9H869.5°90.0°
C11C10H9H10118.8°90.0°
C10C11C12H12179.6°90.0°
C10C11C12H1360.8°90.0°
C10C11N2H34147.9°90.0°
C20C18C17C19175.6°90.0°
C20C18C17C141.8°90.0°
C20C18C17C16176.5°90.0°
C20C18C19N5177.0°90.0°
C20C18C19H173.0°90.0°
C18C20C21H1967.4°90.0°
C18C20C21H2052.4°90.0°
C18C20C24H2353.9°90.0°
C18C20C24H2465.8°90.0°
C11N2C14H34121.9°90.0°
C11N2C14C17179.0°90.0°
C11N2C14N35.2°90.0°
N2C11C10H961.2°90.0°
N2C11C10H1058.1°90.0°
N2C11C12H1255.3°90.0°
N2C11C12H1364.2°90.0°
N2C14C17C184.6°90.0°
N2C14C17N3175.7°90.0°
N2C14C17C16173.6°90.0°
N2C14N3C15174.2°90.0°
C14N2C11H1128.0°90.0°
C18C17C14C16178.2°90.0°
C18C17C14N3179.7°90.0°
C17C18C19N51.4°90.0°
C18C17C16N50.1°90.0°
C18C17C16N4179.9°90.0°
C17C18C19H17178.6°90.0°
C17C18C20H1854.4°90.0°
C19C18C17C14177.4°90.0°
C19C18C17C160.9°90.0°
C18C19N5H17180.0°90.0°
C18C19N5C161.4°90.0°
C19C18C20H18120.3°90.0°
C18C19N5H35178.6°90.0°
C17C14N3C151.7°90.0°
C14C17C16N5178.7°90.0°
C14C17C16N41.3°90.0°
C17C14N2H3457.1°90.0°
N3C14C17C162.1°90.0°
C14N3C15N40.4°90.0°
C14N3C15H16179.6°90.0°
N3C14N2H34127.1°90.0°
C17C16N5C190.8°90.0°
C17C16N5N4180.0°90.0°
C17C16N4C150.2°90.0°
C17C16N5H35179.2°90.0°
C19N5C16H35180.0°90.0°
C19N5C16N4179.3°90.0°
N3C15N4C160.4°90.0°
N3C15N4H16180.0°90.0°
N5C16N4C15179.9°90.0°
C16N5C19H17178.6°90.0°
C16N4C15H16179.6°90.0°
N4C16N5H350.8°90.0°
H1C2C3H3111.8°90.0°
H2C2C3H39.4°90.0°
H3C3C7H479.0°90.0°
H3C3C7H540.2°90.0°
H3C3C4H3013.4°90.0°
H6C8C9H754.2°90.0°
H6C8C9H8173.4°90.0°
H6C8C13H14176.1°90.0°
H6C8C13H1556.8°90.0°
H7C9C10H951.0°90.0°
H7C9C10H1068.3°90.0°
H8C9C10H9170.1°90.0°
H8C9C10H1050.9°90.0°
H9C10C11H11179.8°90.0°
H10C10C11H1160.6°90.0°
H11C11C12H1262.8°90.0°
H11C11C12H13177.6°90.0°
H11C11N2H3493.9°90.0°
H12C12C13H1455.9°90.0°
H12C12C13H1563.4°90.0°
H13C12C13H14175.4°90.0°
H13C12C13H1556.2°90.0°
H17C19N5H351.4°90.0°
H18C20C21H1953.2°90.0°
H18C20C21H20173.0°90.0°
H18C20C24H23172.0°90.0°
H18C20C24H2452.2°90.0°
H19C21C22H2157.9°90.0°
H19C21C22H2261.6°90.0°
H20C21C22H21177.7°90.0°
H20C21C22H2258.2°90.0°
H23C24C23H3656.1°90.0°
H23C24C23H37175.5°90.0°
H24C24C23H3663.7°90.0°
H24C24C23H3755.8°90.0°
H26C6C5H28131.7°90.0°
H26C6C5H2914.2°90.0°
H27C6C5H2812.7°90.0°
H27C6C5H29104.7°90.0°
H28C5C4H3037.8°90.0°
H29C5C4H3079.6°90.0°
H31CH32H33120.0°90.0°

222624

PDB entries from 2024-07-17

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