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K4I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C20C21sing1.53Å1.53Å
C20C19sing1.53Å1.52Å
C21C22sing1.53Å1.52Å
O2C19sing1.43Å1.43Å
C19C1sing1.51Å1.52Å
C22Nsing1.46Å1.48Å
C1Nsing1.34Å1.42Å
C1N1doub1.32Å1.30Å
NCsing1.36Å1.41Å
N1C2sing1.33Å1.41Å
COdoub1.22Å1.23Å
CC3sing1.41Å1.45Å
C2C3doub1.36Å1.37Å
C2C18sing1.51Å1.49Å
C3C4sing1.51Å1.50Å
C4C5sing1.53Å1.52Å
C5N2sing1.47Å1.47Å
C17N2sing1.47Å1.47Å
C17C16sing1.53Å1.52Å
N2C6sing1.47Å1.47Å
C16C8sing1.53Å1.53Å
C6C7sing1.53Å1.52Å
C8C7sing1.53Å1.53Å
C8C9sing1.51Å1.51Å
C9N3doub1.30Å1.29ÅAromatic
C9C15sing1.47Å1.45ÅAromatic
N3O1sing1.41Å1.43ÅAromatic
C15C14sing1.40Å1.40ÅAromatic
C15C10doub1.40Å1.39ÅAromatic
C14C13doub1.36Å1.39ÅAromatic
O1C10sing1.35Å1.36ÅAromatic
C10C11sing1.39Å1.37ÅAromatic
C13C12sing1.39Å1.38ÅAromatic
C11C12doub1.38Å1.38ÅAromatic
C12Fsing1.35Å1.36Å
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
O2H5sing0.97Å0.95Å
C11H6sing1.08Å1.08Å
C13H7sing1.08Å1.08Å
C14H8sing1.08Å1.08Å
C16H9sing1.09Å1.10Å
C16H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C17H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C18H14sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C19H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C21H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C22H21sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C6H23sing1.09Å1.10Å
C6H24sing1.09Å1.10Å
C7H25sing1.09Å1.10Å
C7H26sing1.09Å1.10Å
C8H27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C21C20C19112.0°108.1°
C20C21C22111.0°108.2°
C21C20H17108.8°109.7°
C21C20H18108.8°109.7°
C20C21H19109.1°109.7°
C20C21H20109.1°109.7°
C20C19O2110.8°109.2°
C20C19C1113.3°110.6°
C20C19H16106.9°109.2°
C19C20H17108.8°109.8°
C19C20H18108.8°109.7°
C21C22N106.9°111.1°
C22C21H19109.1°109.7°
C22C21H20109.1°109.7°
C21C22H21110.1°109.2°
C21C22H22110.1°109.1°
O2C19C1110.6°109.3°
C19O2H5109.5°114.0°
O2C19H16108.0°109.2°
C19C1N122.6°122.8°
C19C1N1115.3°116.7°
C1C19H16107.0°109.3°
C22NC1121.6°123.5°
C22NC116.2°116.8°
NC22H21110.1°109.1°
NC22H22110.1°109.1°
NC1N1122.1°120.6°
C1NC122.1°119.7°
C1N1C2118.4°122.6°
NCO120.9°120.3°
NCC3114.6°119.3°
N1C2C3123.3°119.6°
N1C2C18113.2°120.2°
OCC3124.4°120.4°
CC3C2119.6°118.2°
CC3C4116.0°120.9°
C3C2C18123.5°120.2°
C2C3C4124.4°120.9°
C2C18H13109.5°109.4°
C2C18H14109.5°109.5°
C2C18H15109.4°109.5°
C3C4C5112.3°109.5°
C3C4H1108.8°109.5°
C3C4H2108.8°109.5°
C4C5N2112.8°109.5°
C5C4H1108.8°109.5°
C5C4H2108.8°109.4°
C4C5H3108.6°109.5°
C4C5H4108.6°109.4°
C5N2C17110.5°111.0°
C5N2C6110.8°111.0°
N2C5H3108.6°109.5°
N2C5H4108.6°109.5°
N2C17C16111.3°109.5°
C17N2C6109.3°111.2°
N2C17H11109.0°109.4°
N2C17H12109.0°109.5°
C17C16C8109.1°109.3°
C17C16H9109.6°109.5°
C17C16H10109.6°109.5°
C16C17H11109.0°109.5°
C16C17H12109.0°109.5°
N2C6C7111.2°109.5°
N2C6H23109.1°109.4°
N2C6H24109.1°109.5°
C16C8C7109.0°109.1°
C16C8C9113.2°109.5°
C8C16H9109.6°109.5°
C8C16H10109.6°109.5°
C16C8H27107.3°109.5°
C6C7C8109.2°109.3°
C7C6H23109.0°109.4°
C7C6H24109.0°109.4°
C6C7H25109.5°109.5°
C6C7H26109.5°109.5°
C7C8C9112.1°109.5°
C8C7H25109.5°109.5°
C8C7H26109.5°109.5°
C7C8H27107.3°109.5°
C8C9N3119.8°126.3°
C8C9C15128.1°126.3°
C9C8H27107.6°109.6°
N3C9C15112.0°107.4°
C9N3O1106.6°109.7°
C9C15C14138.7°133.7°
C9C15C10103.8°106.4°
N3O1C10108.5°109.3°
C14C15C10117.5°119.9°
C15C14C13120.2°119.8°
C15C14H8119.9°120.0°
C15C10O1109.1°107.1°
C15C10C11124.3°119.4°
C14C13C12118.6°120.5°
C14C13H7120.7°119.8°
C13C14H8119.9°120.2°
O1C10C11126.6°133.4°
C10C11C12115.4°119.8°
C10C11H6122.3°120.1°
C13C12C11123.9°120.5°
C13C12F118.2°119.8°
C12C13H7120.7°119.7°
C11C12F117.8°119.7°
C12C11H6122.3°120.1°
H1C4H2109.5°109.4°
H3C5H4109.5°109.5°
H9C16H10109.4°109.5°
H11C17H12109.5°109.5°
H13C18H14109.5°109.5°
H13C18H15109.5°109.5°
H14C18H15109.5°109.5°
H17C20H18109.5°109.8°
H19C21H20109.4°109.7°
H21C22H22109.5°109.1°
H23C6H24109.5°109.5°
H25C7H26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C21C20C19H17120.4°119.6°
C21C20C19H18120.4°119.7°
C20C21C22H19120.2°119.7°
C20C21C22H20120.2°119.7°
C21C20C19O299.9°170.0°
C21C20C19C125.1°49.7°
C20C21C22N62.1°51.5°
C21C20C19H16142.7°70.6°
C21C20H17H18118.9°120.7°
C20C21H19H20119.3°120.6°
C20C21C22H21178.3°171.9°
C20C21C22H2257.5°68.9°
C19C20C21C2260.9°67.9°
C20C19O2C1126.5°121.1°
C20C19O2H16116.8°119.4°
C20C19C1H16117.5°120.3°
C20C19C1N5.4°18.3°
C20C19C1N1173.1°162.2°
C20C19O2H5180.0°178.9°
C19C20H17H18118.8°120.7°
C19C20C21H1959.3°172.4°
C19C20C21H20178.8°51.8°
C21C22NH21119.6°120.4°
C21C22NH22119.6°120.4°
C21C22NC131.3°19.8°
C21C22NC145.6°160.7°
C22C21C20H1759.4°51.8°
C22C21C20H18178.7°172.4°
C22C21H19H20119.3°120.6°
C21C22H21H22121.2°119.2°
O2C19C1H16117.4°119.5°
O2C19C1N130.5°138.5°
O2C19C1N148.0°41.9°
O2C19C20H17139.8°50.3°
O2C19C20H1820.5°70.4°
C19C1NC221.9°2.8°
C19C1NN1178.4°179.5°
C19C1NC178.5°177.7°
C19C1N1C2178.0°178.7°
C1C19O2H553.5°60.0°
C1C19C20H1795.3°70.0°
C1C19C20H18145.5°169.3°
C22NC1C176.7°179.5°
C22NC1N1176.5°177.7°
C22NCO2.9°2.1°
C22NCC3176.2°177.8°
NC22C21H1958.2°171.2°
NC22C21H20177.7°68.2°
NC22H21H22121.2°119.2°
NC1N1C20.5°0.9°
C1NCO179.7°178.3°
C1NCC30.6°1.7°
NC1C19H16112.1°102.0°
C1NC22H21150.9°140.2°
C1NC22H2288.3°100.7°
N1C1NC0.2°1.8°
C1N1C2C30.7°0.2°
C1N1C2C18179.2°179.7°
N1C1C19H1669.4°77.5°
NCOC3179.0°179.9°
NCC3C20.4°0.7°
NCC3C4179.1°179.3°
CNC22H2126.0°40.2°
CNC22H2294.8°78.9°
N1C2C3C0.2°0.2°
N1C2C3C18179.8°179.9°
N1C2C3C4179.7°179.7°
N1C2C18H130.0°90.0°
N1C2C18H14120.0°29.9°
N1C2C18H15120.0°149.9°
OCC3C2179.5°179.3°
OCC3C40.0°0.6°
CC3C2C4179.5°179.9°
CC3C2C18179.6°179.6°
CC3C4C577.6°85.0°
CC3C4H1162.0°35.0°
CC3C4H242.9°155.0°
C2C3C4C5102.9°95.0°
C2C3C4H117.5°144.9°
C2C3C4H2136.6°24.9°
C3C2C18H13179.8°90.1°
C3C2C18H1459.8°149.9°
C3C2C18H1560.2°29.9°
C18C2C3C40.1°0.4°
C2C18H13H14120.0°120.0°
C2C18H13H15120.0°120.0°
C2C18H14H15120.0°120.1°
C3C4C5H1120.4°120.0°
C3C4C5H2120.4°120.0°
C3C4C5N2176.7°180.0°
C3C4H1H2118.7°120.0°
C3C4C5H356.1°60.0°
C3C4C5H462.8°60.0°
C4C5N2H3120.5°120.0°
C4C5N2H4120.5°120.0°
C4C5N2C1763.1°170.0°
C4C5N2C6175.5°65.8°
C5C4H1H2118.7°119.9°
C4C5H3H4118.4°119.9°
C5N2C17C6122.3°124.1°
C5N2C17C16177.2°174.2°
C5N2C6C7177.2°174.1°
N2C5C4H162.9°60.0°
N2C5C4H256.2°60.0°
N2C5H3H4118.5°120.0°
C5N2C17H1156.9°65.9°
C5N2C17H1262.6°54.1°
C5N2C6H2362.5°54.2°
C5N2C6H2457.0°65.9°
N2C17C16H11120.3°119.9°
N2C17C16H12120.3°120.0°
N2C17C16C859.2°59.2°
C17N2C6C760.7°61.8°
C17N2C5H357.4°50.0°
C17N2C5H4176.4°70.0°
N2C17C16H960.8°60.8°
N2C17C16H10179.2°179.1°
N2C17H11H12119.2°120.0°
C17N2C6H2359.5°178.3°
C17N2C6H24179.0°58.2°
C16C17N2C660.6°61.8°
C17C16C8H9119.9°120.0°
C17C16C8H10120.0°120.0°
C17C16C8C756.8°57.7°
C17C16C8C9177.7°177.6°
C17C16H9H10120.2°120.1°
C16C17H11H12119.2°120.0°
C17C16C8H2759.2°62.2°
N2C6C7H23120.3°120.0°
N2C6C7H24120.3°120.0°
N2C6C7C859.7°59.2°
C6N2C5H364.0°174.2°
C6N2C5H455.0°54.2°
C6N2C17H11179.2°58.2°
C6N2C17H1259.7°178.2°
N2C6H23H24119.2°120.0°
N2C6C7H25179.6°179.2°
N2C6C7H2660.3°60.8°
C16C8C7C657.1°57.7°
C16C8C7C9126.1°119.9°
C16C8C7H27116.0°119.9°
C16C8C9H27118.4°120.2°
C16C8C9N3110.6°60.0°
C16C8C9C1572.5°120.0°
C8C16H9H10120.2°120.1°
C8C16C17H11179.4°60.8°
C8C16C17H1261.1°179.2°
C16C8C7H25177.1°177.6°
C16C8C7H2662.8°62.3°
C6C7C8H25120.0°120.0°
C6C7C8H26119.9°120.0°
C6C7C8C9176.8°177.5°
C7C6H23H24119.2°120.0°
C6C7H25H26120.1°120.1°
C6C7C8H2758.8°62.2°
C7C8C9H27117.8°120.2°
C7C8C9N3125.6°59.7°
C7C8C9C1551.3°120.4°
C7C8C16H963.1°62.3°
C7C8C16H10176.8°177.6°
C8C7C6H2360.6°179.2°
C8C7C6H24179.9°60.8°
C8C7H25H26120.1°120.1°
C8C9N3C15177.4°180.0°
C8C9N3O1176.9°180.0°
C8C9C15C143.9°0.1°
C8C9C15C10176.7°180.0°
C9C8C16H962.4°57.6°
C9C8C16H1057.8°62.5°
C9C8C7H2556.8°62.5°
C9C8C7H2663.3°57.5°
N3C9C15C14179.0°180.0°
N3C9C15C100.4°0.0°
C9N3O1C100.5°0.0°
N3C9C8H277.8°179.9°
C15C9N3O10.5°0.0°
C9C15C14C10179.3°180.0°
C9C15C14C13178.7°179.9°
C9C15C10O10.1°0.0°
C9C15C10C11179.2°180.0°
C9C15C14H81.3°0.0°
C15C9C8H27169.1°0.2°
N3O1C10C150.2°0.0°
N3O1C10C11178.9°180.0°
C15C14C13H8180.0°179.9°
C14C15C10O1179.4°180.0°
C14C15C10C110.3°0.0°
C15C14C13C120.4°0.0°
C15C14C13H7179.6°179.9°
C10C15C14C130.6°0.0°
C15C10O1C11179.1°179.9°
C15C10C11C120.8°0.0°
C15C10C11H6179.2°179.9°
C10C15C14H8179.4°179.9°
C14C13C12H7180.0°179.9°
C14C13C12C111.7°0.1°
C14C13C12F174.9°180.0°
O1C10C11C12178.1°180.0°
O1C10C11H61.9°0.0°
C10C11C12C131.9°0.1°
C10C11C12H6180.0°180.0°
C10C11C12F174.7°180.0°
C13C12C11F176.6°179.9°
C13C12C11H6178.2°179.9°
C12C13C14H8179.6°180.0°
C11C12C13H7178.3°180.0°
FC12C11H65.2°0.0°
FC12C13H75.1°0.1°
H1C4C5H3176.6°180.0°
H1C4C5H457.6°60.0°
H2C4C5H364.3°60.1°
H2C4C5H4176.7°180.0°
H5O2C19H1663.2°59.5°
H7C13C14H80.4°0.1°
H9C16C17H1159.5°179.2°
H9C16C17H12179.0°59.2°
H9C16C8H27179.1°177.8°
H10C16C17H1160.6°59.2°
H10C16C17H1258.9°60.8°
H10C16C8H2760.8°57.7°
H13C18H14H15120.0°120.0°
H16C19C20H1722.3°169.8°
H16C19C20H1896.9°49.0°
H17C20C21H19179.7°68.0°
H17C20C21H2060.8°171.4°
H18C20C21H1961.1°52.7°
H18C20C21H2058.5°67.9°
H19C21C22H2161.5°68.4°
H19C21C22H22177.8°50.8°
H20C21C22H2158.1°52.2°
H20C21C22H2262.7°171.4°
H23C6C7H2559.4°60.9°
H23C6C7H26179.4°59.2°
H24C6C7H2560.1°59.2°
H24C6C7H2660.0°179.2°
H25C7C8H2761.1°57.8°
H26C7C8H27178.8°177.8°

225158

PDB entries from 2024-09-18

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