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YJJ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N38C37trip1.14Å1.13Å
O34C33sing1.36Å1.42Å
C37C35sing1.43Å1.49Å
C33C35doub1.40Å1.41ÅAromatic
C33C31sing1.39Å1.39ÅAromatic
C35C36sing1.40Å1.37ÅAromatic
C32C31sing1.51Å1.54Å
C31C30doub1.38Å1.42ÅAromatic
C36C29doub1.39Å1.42ÅAromatic
C30C29sing1.40Å1.39ÅAromatic
C29C09sing1.48Å1.45Å
C09C10doub1.36Å1.40ÅAromatic
C09C06sing1.47Å1.44ÅAromatic
C10N11sing1.37Å1.35ÅAromatic
O08C07doub1.22Å1.23Å
C06C07sing1.41Å1.48Å
C06C05doub1.40Å1.37ÅAromatic
C07N02sing1.35Å1.38Å
N11C05sing1.36Å1.38ÅAromatic
N11C12sing1.47Å1.41Å
C05N04sing1.34Å1.37Å
CL22C21sing1.74Å1.71Å
C12C13sing1.51Å1.52Å
N02C01sing1.47Å1.44Å
N02C03sing1.36Å1.39Å
N04C03doub1.30Å1.37Å
N15C13sing1.35Å1.41Å
N15C16sing1.40Å1.41Å
C13O14doub1.21Å1.18Å
C21C16doub1.40Å1.37ÅAromatic
C21C20sing1.38Å1.39ÅAromatic
C16C17sing1.39Å1.38ÅAromatic
C20N19doub1.32Å1.34ÅAromatic
C17C18doub1.39Å1.42ÅAromatic
N19C18sing1.33Å1.31ÅAromatic
C18N23sing1.39Å1.43Å
N23C28sing1.47Å1.40Å
N23C24sing1.47Å1.44Å
C28C27sing1.53Å1.52Å
C24C25sing1.53Å1.55Å
C27O26sing1.43Å1.44Å
C25O26sing1.43Å1.40Å
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C03H4sing1.08Å1.08Å
C10H5sing1.08Å1.08Å
C12H6sing1.09Å1.10Å
C12H7sing1.09Å1.10Å
C17H8sing1.08Å1.08Å
C20H9sing1.08Å1.08Å
C24H10sing1.09Å1.10Å
C24H11sing1.09Å1.10Å
C25H12sing1.09Å1.10Å
C25H13sing1.09Å1.10Å
C27H14sing1.09Å1.10Å
C27H15sing1.09Å1.10Å
C28H16sing1.09Å1.10Å
C28H17sing1.09Å1.10Å
C30H18sing1.08Å1.08Å
C32H19sing1.09Å1.10Å
C32H20sing1.09Å1.10Å
C32H21sing1.09Å1.10Å
C36H22sing1.08Å1.08Å
N15H23sing0.97Å1.00Å
O34H24sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N38C37C35174.6°180.0°
O34C33C35118.9°120.0°
O34C33C31121.9°120.0°
C33O34H24109.5°114.0°
C37C35C33119.3°120.2°
C37C35C36119.2°120.1°
C35C33C31119.0°120.0°
C33C35C36121.3°119.7°
C33C31C32121.8°119.9°
C33C31C30119.3°120.2°
C35C36C29120.5°119.8°
C35C36H22119.8°120.1°
C32C31C30118.9°119.9°
C31C32H19109.5°109.5°
C31C32H20109.5°109.5°
C31C32H21109.5°109.5°
C31C30C29121.5°120.3°
C31C30H18119.3°119.9°
C36C29C30118.3°120.0°
C36C29C09121.1°120.0°
C29C36H22119.8°120.1°
C30C29C09120.5°120.0°
C29C30H18119.2°119.8°
C29C09C10122.2°126.9°
C29C09C06132.0°126.8°
C10C09C06105.6°106.3°
C09C10N11109.2°109.5°
C09C10H5125.4°125.2°
C09C06C07135.2°134.7°
C09C06C05106.9°106.3°
C10N11C05108.8°110.4°
C10N11C12124.3°124.9°
N11C10H5125.4°125.3°
O08C07C06125.7°120.9°
O08C07N02120.8°121.0°
C07C06C05117.9°119.0°
C06C07N02113.4°118.1°
C06C05N11109.4°107.5°
C06C05N04126.8°119.0°
C07N02C01117.1°119.9°
C07N02C03125.8°120.2°
C05N11C12126.8°124.8°
N11C05N04123.7°133.5°
N11C12C13111.9°109.5°
N11C12H6108.9°109.5°
N11C12H7108.9°109.4°
C05N04C03115.5°121.3°
CL22C21C16122.5°120.4°
CL22C21C20119.2°120.4°
C12C13N15112.2°120.0°
C12C13O14121.8°120.0°
C13C12H6108.9°109.4°
C13C12H7108.9°109.5°
C01N02C03117.1°119.8°
N02C01H1109.5°109.5°
N02C01H2109.5°109.5°
N02C01H3109.5°109.4°
N02C03N04120.5°122.3°
N02C03H4119.8°118.8°
N04C03H4119.8°118.8°
C13N15C16124.0°120.0°
N15C13O14126.0°120.0°
C13N15H23118.0°120.0°
N15C16C21117.7°120.8°
N15C16C17122.5°120.8°
C16N15H23118.0°120.0°
C16C21C20118.3°119.2°
C21C16C17119.8°118.4°
C21C20N19123.1°120.9°
C21C20H9118.5°119.5°
C16C17C18117.3°119.0°
C16C17H8121.4°120.5°
C20N19C18118.1°121.8°
N19C20H9118.4°119.5°
C17C18N19123.4°120.7°
C17C18N23119.5°119.7°
C18C17H8121.4°120.5°
N19C18N23117.0°119.6°
C18N23C28120.0°111.0°
C18N23C24114.8°111.0°
C28N23C24119.0°110.7°
N23C28C27110.8°109.3°
N23C28H16109.1°109.5°
N23C28H17109.2°109.5°
N23C24C25110.3°109.3°
N23C24H10109.3°109.5°
N23C24H11109.3°109.5°
C28C27O26106.6°109.2°
C28C27H14110.2°109.5°
C28C27H15110.2°109.5°
C27C28H16109.1°109.6°
C27C28H17109.1°109.5°
C24C25O26109.5°109.3°
C25C24H10109.3°109.5°
C25C24H11109.3°109.6°
C24C25H12109.4°109.5°
C24C25H13109.5°109.6°
C27O26C25113.3°113.8°
O26C27H14110.2°109.5°
O26C27H15110.2°109.5°
O26C25H12109.5°109.5°
O26C25H13109.4°109.5°
H1C01H2109.4°109.5°
H1C01H3109.5°109.5°
H2C01H3109.5°109.5°
H6C12H7109.5°109.5°
H10C24H11109.5°109.5°
H12C25H13109.5°109.5°
H14C27H15109.5°109.5°
H16C28H17109.5°109.5°
H19C32H20109.5°109.4°
H19C32H21109.4°109.5°
H20C32H21109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N38C37C35C33175.4°38.5°
N38C37C35C369.5°141.2°
O34C33C35C374.1°0.3°
O34C33C35C31176.0°179.7°
O34C33C35C36179.1°180.0°
O34C33C31C322.8°0.3°
O34C33C31C30179.5°179.7°
C37C35C33C36175.0°179.7°
C37C35C33C31179.9°180.0°
C37C35C36C29178.4°179.7°
C37C35C36H221.5°0.2°
C35C33C31C32178.7°180.0°
C35C33C31C303.6°0.1°
C33C35C36C293.4°0.5°
C33C35C36H22176.6°180.0°
C35C33O34H24180.0°90.0°
C31C33C35C364.8°0.3°
C33C31C32C30177.7°180.0°
C33C31C30C291.1°0.1°
C33C31C30H18178.9°180.0°
C33C31C32H1988.7°90.0°
C33C31C32H20151.2°30.0°
C33C31C32H2131.2°150.0°
C31C33O34H244.1°89.7°
C35C36C29H22180.0°179.5°
C35C36C29C300.8°0.5°
C35C36C29C09175.4°179.8°
C32C31C30C29178.8°180.0°
C32C31C30H181.2°0.1°
C31C32H19H20120.0°120.0°
C31C32H19H21120.0°120.1°
C31C32H20H21120.0°120.0°
C31C30C29C360.4°0.3°
C31C30C29H18180.0°179.9°
C31C30C29C09176.6°180.0°
C30C31C32H1988.9°90.0°
C30C31C32H2031.1°150.0°
C30C31C32H21151.1°30.1°
C36C29C30C09176.2°179.7°
C36C29C09C10146.2°129.7°
C36C29C09C0629.4°49.7°
C36C29C30H18179.6°179.8°
C30C29C09C1030.0°50.0°
C30C29C09C06154.5°130.6°
C30C29C36H22179.2°180.0°
C29C09C10C06176.6°179.5°
C29C09C10N11178.7°180.0°
C29C09C06C073.6°0.5°
C29C09C06C05177.8°179.7°
C29C09C10H51.3°0.5°
C09C29C30H183.4°0.1°
C09C29C36H224.6°0.3°
C09C10N11H5180.0°179.5°
C10C09C06C07179.7°180.0°
C10C09C06C051.7°0.2°
C09C10N11C051.7°0.6°
C09C10N11C12177.9°180.0°
C06C09C10N112.1°0.5°
C09C06C07O080.4°0.2°
C09C06C07C05178.4°179.8°
C09C06C07N02177.4°180.0°
C09C06C05N110.8°0.1°
C09C06C05N04179.0°180.0°
C06C09C10H5177.9°179.9°
C10N11C05C060.6°0.4°
C10N11C05C12176.1°179.4°
C10N11C05N04179.6°179.7°
C10N11C12C1383.1°95.0°
C10N11C12H6156.5°145.0°
C10N11C12H737.3°25.0°
O08C07C06N02177.8°179.7°
O08C07C06C05178.8°180.0°
O08C07N02C012.4°0.3°
O08C07N02C03178.5°179.8°
C07C06C05N11179.6°179.7°
C07C06C05N040.2°0.2°
C06C07N02C01179.6°180.0°
C06C07N02C030.6°0.1°
C05C06C07N021.0°0.3°
C06C05N11N04179.8°179.9°
C06C05N11C12176.7°179.9°
C06C05N04C031.8°0.1°
C07N02C01C03179.2°180.0°
C07N02C03N041.1°0.2°
C07N02C01H1180.0°90.0°
C07N02C01H260.0°149.9°
C07N02C01H360.0°30.0°
C07N02C03H4178.9°180.0°
C05N11C12C13101.3°84.4°
N11C05N04C03177.9°180.0°
C05N11C10H5178.3°180.0°
C05N11C12H619.0°35.6°
C05N11C12H7138.3°155.6°
C12N11C05N043.5°0.2°
N11C12C13H6120.3°120.0°
N11C12C13H7120.3°120.0°
N11C12C13N15137.0°180.0°
N11C12C13O1440.5°0.0°
C12N11C10H52.1°0.5°
N11C12H6H7118.9°120.0°
C05N04C03N022.2°0.3°
C05N04C03H4177.8°179.9°
CL22C21C16N152.5°0.2°
CL22C21C16C20179.1°179.9°
CL22C21C16C17179.5°180.0°
CL22C21C20N19178.0°179.9°
CL22C21C20H92.0°0.1°
C12C13N15O14177.4°179.9°
C12C13N15C16172.4°174.4°
C13C12H6H7118.9°120.0°
C12C13N15H237.6°5.6°
C01N02C03N04178.0°179.7°
N02C01H1H2120.0°120.0°
N02C01H1H3120.0°119.9°
N02C01H2H3120.0°119.9°
C01N02C03H42.1°0.0°
N02C03N04H4180.0°179.8°
C03N02C01H10.9°90.0°
C03N02C01H2120.8°30.0°
C03N02C01H3119.2°150.0°
C13N15C16H23180.0°180.0°
C13N15C16C21172.5°155.2°
C13N15C16C1710.5°24.6°
N15C13C12H6102.7°60.0°
N15C13C12H716.6°60.0°
C16N15C13O1410.3°5.6°
N15C16C21C17177.0°179.8°
N15C16C21C20176.6°179.7°
N15C16C17C18174.9°179.7°
N15C16C17H85.1°0.2°
O14C13C12H679.8°120.0°
O14C13C12H7160.8°120.0°
O14C13N15H23169.7°174.4°
C16C21C20N191.1°0.1°
C21C16C17C182.0°0.1°
C21C16C17H8178.0°180.0°
C16C21C20H9178.9°180.0°
C21C16N15H237.5°24.8°
C20C21C16C170.4°0.1°
C21C20N19H9180.0°179.9°
C21C20N19C180.8°0.2°
C16C17C18H8180.0°179.9°
C16C17C18N192.3°0.1°
C16C17C18N23178.0°180.0°
C17C16N15H23169.4°155.4°
C20N19C18C170.9°0.2°
C20N19C18N23176.7°180.0°
C17C18N19N23175.8°179.9°
C17C18N23C289.7°180.0°
C17C18N23C24161.9°56.3°
N19C18N23C28174.4°0.1°
N19C18N23C2422.2°123.6°
N19C18C17H8177.7°179.9°
C18N19C20H9179.2°180.0°
C18N23C28C24151.0°123.8°
C18N23C28C27159.8°177.6°
C18N23C24C25163.7°177.6°
N23C18C17H82.0°0.1°
C18N23C24H1076.2°57.6°
C18N23C24H1143.5°62.4°
C18N23C28H1639.6°62.4°
C18N23C28H1780.0°57.6°
N23C28C27H16120.2°119.9°
N23C28C27H17120.2°120.0°
C28N23C24C2543.9°58.6°
N23C28C27O2655.2°56.9°
C28N23C24H1076.3°178.5°
C28N23C24H11164.0°61.4°
N23C28C27H1464.3°63.1°
N23C28C27H15174.8°176.8°
N23C28H16H17119.4°120.1°
C24N23C28C2749.2°58.6°
N23C24C25H10120.1°119.9°
N23C24C25H11120.1°119.9°
N23C24C25O2646.6°56.8°
N23C24H10H11119.6°120.0°
N23C24C25H12166.6°176.8°
N23C24C25H1373.4°63.1°
C24N23C28H16169.4°61.4°
C24N23C28H1771.0°178.6°
C28C27O26H14119.5°119.9°
C28C27O26H15119.5°119.9°
C28C27O26C2564.9°58.7°
C28C27H14H15121.3°120.1°
C27C28H16H17119.4°120.1°
C24C25O26C2761.2°58.7°
C24C25O26H12120.0°120.0°
C24C25O26H13120.0°120.0°
C25C24H10H11119.6°120.2°
C24C25H12H13120.0°120.2°
C27O26C25H12178.8°178.7°
C27O26C25H1358.8°61.3°
O26C27H14H15121.3°120.1°
O26C27C28H16175.4°63.1°
O26C27C28H1765.0°176.8°
O26C25C24H1073.5°176.8°
O26C25C24H11166.8°63.1°
O26C25H12H13120.0°120.1°
C25O26C27H1454.6°61.2°
C25O26C27H15175.5°178.6°
H1C01H2H3120.0°120.0°
H10C24C25H1246.5°63.3°
H10C24C25H13166.5°56.8°
H11C24C25H1273.2°56.8°
H11C24C25H1346.8°177.0°
H14C27C28H1655.9°177.0°
H14C27C28H17175.5°56.9°
H15C27C28H1665.0°56.9°
H15C27C28H1754.5°63.2°
H19C32H20H21119.9°119.9°

224931

PDB entries from 2024-09-11

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