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KUH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C18C17sing1.53Å1.51Å
C1Csing1.51Å1.50Å
C17N2sing1.47Å1.47Å
CNsing1.35Å1.36ÅAromatic
CC2doub1.37Å1.39ÅAromatic
NC9sing1.38Å1.37ÅAromatic
O1C10doub1.22Å1.22Å
OC3doub1.21Å1.22Å
N2C19sing1.46Å1.47Å
N2Ssing1.66Å1.62Å
C19C20sing1.53Å1.49Å
C2C3sing1.46Å1.47Å
C2C8sing1.43Å1.43ÅAromatic
C9C10sing1.47Å1.47Å
C9C8doub1.36Å1.40ÅAromatic
C3C4sing1.51Å1.51Å
C10N1sing1.35Å1.35Å
C8C7sing1.51Å1.50Å
O3Sdoub1.42Å1.43Å
C4C5sing1.52Å1.52Å
SC16sing1.76Å1.76Å
SO4doub1.42Å1.43Å
C21C16doub1.38Å1.39ÅAromatic
C21C11sing1.39Å1.39ÅAromatic
N1C11sing1.40Å1.41Å
C7C6sing1.53Å1.53Å
C16C15sing1.38Å1.38ÅAromatic
C11C12doub1.39Å1.39ÅAromatic
C5C6sing1.54Å1.52Å
C15C14doub1.38Å1.38ÅAromatic
C12O2sing1.36Å1.37Å
C12C14sing1.39Å1.38ÅAromatic
O2C13sing1.43Å1.42Å
C13H1sing1.09Å1.10Å
C13H2sing1.09Å1.10Å
C13H3sing1.09Å1.10Å
C14H4sing1.08Å1.08Å
C15H5sing1.08Å1.08Å
C19H6sing1.09Å1.10Å
C19H7sing1.09Å1.10Å
C20H8sing1.09Å1.10Å
C20H9sing1.09Å1.10Å
C20H10sing1.09Å1.10Å
NH11sing0.97Å1.00Å
C1H12sing1.09Å1.10Å
C1H13sing1.09Å1.10Å
C1H14sing1.09Å1.10Å
C17H15sing1.09Å1.10Å
C17H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C18H18sing1.09Å1.10Å
C18H19sing1.09Å1.10Å
C21H20sing1.08Å1.08Å
C4H21sing1.09Å1.10Å
C4H22sing1.09Å1.10Å
C5H23sing1.09Å1.10Å
C5H24sing1.09Å1.10Å
C6H25sing1.09Å1.10Å
C6H26sing1.09Å1.10Å
C7H27sing1.09Å1.10Å
C7H28sing1.09Å1.10Å
N1H29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C18C17N2112.8°109.5°
C18C17H15108.6°109.4°
C18C17H16108.6°109.5°
C17C18H17109.5°109.5°
C17C18H18109.5°109.5°
C17C18H19109.4°109.4°
C1CN120.6°125.9°
C1CC2131.8°126.0°
CC1H12109.5°109.5°
CC1H13109.4°109.5°
CC1H14109.4°109.5°
C17N2C19118.5°120.0°
C17N2S117.6°120.0°
N2C17H15108.6°109.5°
N2C17H16108.6°109.5°
NCC2107.5°108.1°
CNC9110.6°109.3°
CNH11124.7°125.3°
CC2C3125.1°130.9°
CC2C8107.6°107.6°
NC9C10119.2°125.8°
NC9C8107.8°108.5°
C9NH11124.7°125.3°
O1C10C9120.4°120.0°
O1C10N1123.6°120.0°
OC3C2121.2°121.3°
OC3C4119.7°121.4°
C19N2S116.9°120.0°
N2C19C20111.7°109.5°
N2C19H6108.9°109.5°
N2C19H7108.9°109.5°
N2SO3106.6°106.4°
N2SC16106.4°107.2°
N2SO4106.7°106.4°
C20C19H6108.9°109.5°
C20C19H7108.9°109.5°
C19C20H8109.5°109.5°
C19C20H9109.4°109.5°
C19C20H10109.4°109.5°
C3C2C8127.3°121.5°
C2C3C4119.1°117.4°
C2C8C9106.4°106.5°
C2C8C7120.6°125.2°
C10C9C8132.8°125.8°
C9C10N1115.8°120.0°
C9C8C7132.8°128.3°
C3C4C5112.2°109.9°
C3C4H21108.8°109.4°
C3C4H22108.8°109.4°
C10N1C11128.3°120.0°
C10N1H29115.8°120.0°
C8C7C6112.1°109.0°
C8C7H27108.8°109.6°
C8C7H28108.8°109.6°
O3SC16108.3°106.4°
O3SO4120.0°123.2°
C4C5C6114.8°109.3°
C5C4H21108.8°109.4°
C5C4H22108.8°109.4°
C4C5H23108.1°109.5°
C4C5H24108.1°109.5°
C16SO4108.1°106.4°
SC16C21119.2°119.9°
SC16C15119.4°119.9°
C16C21C11119.0°120.0°
C21C16C15121.3°120.2°
C16C21H20120.5°120.1°
C21C11N1125.6°120.1°
C21C11C12119.4°119.8°
C11C21H20120.5°120.0°
N1C11C12114.9°120.1°
C11N1H29115.9°120.0°
C7C6C5114.5°111.4°
C7C6H25108.2°109.1°
C7C6H26108.2°109.0°
C6C7H27108.8°109.5°
C6C7H28108.8°109.5°
C16C15C14119.5°120.2°
C16C15H5120.2°119.9°
C11C12O2114.6°120.0°
C11C12C14121.0°119.9°
C6C5H23108.1°109.5°
C6C5H24108.1°109.5°
C5C6H25108.2°109.1°
C5C6H26108.2°109.1°
C15C14C12119.7°120.0°
C15C14H4120.2°120.0°
C14C15H5120.3°119.9°
O2C12C14124.4°120.1°
C12O2C13117.4°117.0°
C12C14H4120.2°120.0°
O2C13H1109.5°109.5°
O2C13H2109.5°109.4°
O2C13H3109.5°109.4°
H1C13H2109.5°109.5°
H1C13H3109.4°109.5°
H2C13H3109.5°109.5°
H6C19H7109.5°109.4°
H8C20H9109.5°109.4°
H8C20H10109.5°109.5°
H9C20H10109.5°109.5°
H12C1H13109.5°109.5°
H12C1H14109.5°109.4°
H13C1H14109.5°109.5°
H15C17H16109.5°109.5°
H17C18H18109.5°109.5°
H17C18H19109.4°109.5°
H18C18H19109.5°109.5°
H21C4H22109.5°109.3°
H23C5H24109.5°109.5°
H25C6H26109.5°109.1°
H27C7H28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C18C17N2H15120.5°120.0°
C18C17N2H16120.5°120.0°
C18C17N2C1995.2°85.1°
C18C17N2S114.9°95.0°
C18C17H15H16118.5°120.0°
C17C18H17H18120.0°120.0°
C17C18H17H19120.0°120.0°
C17C18H18H19120.0°120.0°
C1CNC2178.6°180.0°
C1CNC9176.8°179.7°
C1CC2C33.8°1.8°
C1CC2C8177.9°179.0°
C1CNH113.2°0.0°
CC1H12H13120.0°120.0°
CC1H12H14120.0°120.0°
CC1H13H14120.0°120.0°
C17N2C19S150.1°179.9°
C17N2C19C20118.8°85.0°
C17N2SO327.1°23.6°
C17N2SC1688.3°90.0°
C17N2SO4156.4°156.5°
C17N2C19H6120.8°35.0°
C17N2C19H71.5°155.0°
N2C17H15H16118.5°120.0°
N2C17C18H17180.0°180.0°
N2C17C18H1860.0°60.0°
N2C17C18H1960.0°60.0°
CNC9H11180.0°179.7°
NCC2C3177.8°178.2°
NCC2C80.6°1.0°
CNC9C10179.0°179.7°
CNC9C82.4°0.5°
NCC1H1290.7°90.0°
NCC1H13149.3°150.0°
NCC1H1429.3°30.0°
C2CNC91.9°0.3°
CC2C3O13.4°43.4°
CC2C3C8178.0°179.1°
CC2C8C90.9°1.3°
CC2C3C4166.5°136.6°
CC2C8C7175.6°177.6°
C2CNH11178.1°180.0°
C2CC1H1291.1°90.0°
C2CC1H1329.0°30.0°
C2CC1H14149.0°150.0°
NC9C10O113.7°180.0°
NC9C8C22.0°1.1°
NC9C10C8175.5°179.8°
NC9C10N1172.1°0.1°
NC9C8C7173.9°177.8°
O1C10C9N1174.2°179.9°
O1C10C9C8161.8°0.2°
O1C10N1C1114.1°4.4°
O1C10N1H29165.9°175.6°
OC3C2C4179.9°180.0°
OC3C2C8168.6°137.5°
OC3C4C5110.4°91.8°
OC3C4H2110.0°148.1°
OC3C4H22129.2°28.4°
N2C19C20H6120.3°120.0°
N2C19C20H7120.3°120.0°
C19N2SO3177.4°156.5°
C19N2SC1662.0°89.9°
C19N2SO453.2°23.6°
N2C19H6H7119.0°120.1°
N2C19C20H8180.0°60.0°
N2C19C20H960.0°180.0°
N2C19C20H1060.0°60.0°
C19N2C17H15144.3°155.0°
C19N2C17H1625.3°35.0°
SN2C19C2091.1°95.0°
N2SO3C16114.1°114.1°
N2SO3O4121.3°122.9°
N2SC16O4114.3°113.5°
N2SC16C2166.1°90.0°
N2SC16C15113.5°90.0°
SN2C19H629.3°144.9°
SN2C19H7148.6°24.9°
SN2C17H155.6°24.9°
SN2C17H16124.6°145.0°
C20C19H6H7119.0°119.9°
C19C20H8H9120.0°120.0°
C19C20H8H10120.0°120.0°
C19C20H9H10120.0°120.0°
C3C2C8C9179.2°178.0°
C3C2C8C72.7°3.1°
C2C3C4C569.7°88.3°
C2C3C4H21169.9°31.9°
C2C3C4H2250.7°151.6°
C2C8C9C10177.9°179.1°
C2C8C9C7175.9°178.8°
C8C2C3C411.5°42.6°
C2C8C7C657.8°27.8°
C2C8C7H2762.6°92.1°
C2C8C7H28178.2°147.7°
C10C9C8C72.0°2.1°
C9C10N1C11171.9°175.5°
C10C9NH111.0°0.6°
C9C10N1H298.1°4.5°
C8C9C10N112.4°179.7°
C9C8C7C6126.8°150.8°
C8C9NH11177.5°179.2°
C9C8C7H27112.8°89.3°
C9C8C7H286.4°30.9°
C3C4C5H21120.4°120.2°
C3C4C5H22120.4°120.2°
C3C4C5C666.8°32.5°
C3C4H21H22118.7°119.8°
C3C4C5H2354.0°152.5°
C3C4C5H24172.4°87.4°
C10N1C11C2117.1°34.6°
C10N1C11H29180.0°179.9°
C10N1C11C12166.7°145.6°
C8C7C6H27120.4°119.9°
C8C7C6H28120.4°120.0°
C8C7C6C581.2°91.2°
C8C7C6H25158.0°148.4°
C8C7C6H2639.5°29.3°
C8C7H27H28118.8°120.3°
O3SC16O4131.4°133.0°
O3SC16C2148.1°23.5°
O3SC16C15132.3°156.5°
C4C5C6C713.4°60.9°
C4C5C6H23120.8°120.0°
C4C5C6H24120.8°119.9°
C5C4H21H22118.8°119.8°
C4C5H23H24117.6°120.0°
C4C5C6H25134.1°178.7°
C4C5C6H26107.4°59.6°
SC16C21C15179.6°180.0°
SC16C21C11179.8°180.0°
SC16C15C14178.4°180.0°
SC16C15H51.6°0.0°
SC16C21H200.2°0.1°
O4SC16C21179.6°156.5°
O4SC16C150.9°23.5°
C16C21C11H20180.0°180.0°
C16C21C11N1174.2°179.7°
C16C21C11C121.8°0.0°
C21C16C15C142.0°0.1°
C21C16C15H5178.0°180.0°
C21C11N1C12176.2°179.8°
C11C21C16C150.6°0.0°
C21C11C12O2176.2°180.0°
C21C11C12C143.0°0.1°
C21C11N1H29162.9°145.3°
N1C11C12O27.3°0.3°
N1C11C12C14173.5°179.7°
N1C11C21H205.7°0.2°
C7C6C5H25120.8°120.4°
C7C6C5H26120.7°120.4°
C7C6C5H23134.1°59.1°
C7C6C5H24107.4°179.2°
C7C6H25H26117.7°119.0°
C6C7H27H28118.8°120.2°
C16C15C14H5180.0°180.0°
C16C15C14C120.9°0.1°
C16C15C14H4179.1°180.0°
C15C16C21H20179.3°180.0°
C11C12C14C151.6°0.1°
C11C12O2C14179.1°180.0°
C11C12O2C13178.7°180.0°
C11C12C14H4178.4°180.0°
C12C11C21H20178.2°180.0°
C12C11N1H2913.3°34.4°
C6C5C4H21172.8°87.6°
C6C5C4H2253.6°152.7°
C6C5H23H24117.6°120.1°
C5C6H25H26117.7°119.1°
C5C6C7H2739.1°28.7°
C5C6C7H28158.4°148.8°
C15C14C12O2177.5°179.9°
C15C14C12H4180.0°179.9°
C12O2C13H1180.0°180.0°
C12O2C13H260.0°60.0°
C12O2C13H360.0°60.0°
O2C12C14H42.5°0.0°
C14C12O2C132.2°0.0°
C12C14C15H5179.1°180.0°
O2C13H1H2120.0°120.0°
O2C13H1H3120.0°120.0°
O2C13H2H3120.0°119.9°
H1C13H2H3119.9°120.1°
H4C14C15H50.9°0.1°
H6C19C20H859.6°179.9°
H6C19C20H9179.7°60.0°
H6C19C20H1060.3°60.0°
H7C19C20H859.7°60.0°
H7C19C20H960.3°59.9°
H7C19C20H10179.7°179.9°
H8C20H9H10120.0°120.0°
H12C1H13H14120.0°120.0°
H15C17C18H1759.5°60.0°
H15C17C18H1860.5°60.0°
H15C17C18H19179.5°180.0°
H16C17C18H1759.5°60.0°
H16C17C18H18179.5°180.0°
H16C17C18H1960.5°60.0°
H17C18H18H19120.0°120.0°
H21C4C5H2366.4°32.4°
H21C4C5H2452.0°152.4°
H22C4C5H23174.4°87.3°
H22C4C5H2467.2°32.8°
H23C5C6H25105.1°61.3°
H23C5C6H2613.4°179.5°
H24C5C6H2513.3°58.8°
H24C5C6H26131.8°60.3°
H25C6C7H2781.6°91.7°
H25C6C7H2837.6°28.4°
H26C6C7H27159.9°149.2°
H26C6C7H2880.9°90.7°

222415

PDB entries from 2024-07-10

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