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KZK

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O3Sdoub1.42Å1.42Å
C7C6sing1.51Å1.51Å
C7C8sing1.51Å1.50Å
C4O1sing1.43Å1.42Å
C9C8doub1.34Å1.36ÅAromatic
C9N1sing1.37Å1.36ÅAromatic
NC5sing1.40Å1.41Å
NC6sing1.35Å1.34Å
O1C3sing1.36Å1.36Å
C3C5doub1.39Å1.39ÅAromatic
C3C2sing1.39Å1.38ÅAromatic
C5C16sing1.39Å1.39ÅAromatic
C2C1doub1.38Å1.38ÅAromatic
C16Cdoub1.38Å1.39ÅAromatic
C1Csing1.38Å1.38ÅAromatic
CSsing1.76Å1.76Å
SOdoub1.42Å1.42Å
SN2sing1.66Å1.62Å
C6O2doub1.21Å1.22Å
C8C11sing1.47Å1.43ÅAromatic
N1C10sing1.38Å1.37ÅAromatic
C17N2sing1.43Å1.48Å
C17C18sing1.54Å1.51Å
N2C22sing1.50Å1.47Å
C18C19sing1.55Å1.50Å
C11C10doub1.41Å1.41ÅAromatic
C11C12sing1.40Å1.39ÅAromatic
C10C15sing1.39Å1.38ÅAromatic
C22C21sing1.46Å1.51Å
C12C13doub1.37Å1.38ÅAromatic
C19C20sing1.50Å1.51Å
C15C14doub1.38Å1.38ÅAromatic
C20C21sing1.53Å1.49Å
C13C14sing1.39Å1.38ÅAromatic
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C4H3sing1.09Å1.10Å
N1H4sing0.97Å1.00Å
C7H5sing1.09Å1.10Å
C7H6sing1.09Å1.10Å
C9H7sing1.08Å1.08Å
C12H8sing1.08Å1.08Å
C13H9sing1.08Å1.08Å
C14H10sing1.08Å1.08Å
C15H11sing1.08Å1.08Å
C22H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C21H14sing1.09Å1.10Å
C21H15sing1.09Å1.10Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C18H20sing1.09Å1.10Å
C18H21sing1.09Å1.10Å
C17H22sing1.09Å1.10Å
C17H23sing1.09Å1.10Å
C16H24sing1.08Å1.08Å
C2H25sing1.08Å1.08Å
C1H26sing1.08Å1.08Å
NH27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O3SC108.0°106.4°
O3SO120.0°123.2°
O3SN2106.5°106.4°
C6C7C8112.2°109.5°
C7C6N114.7°120.0°
C7C6O2121.0°120.0°
C6C7H5108.8°109.5°
C6C7H6108.8°109.5°
C7C8C9127.3°126.5°
C7C8C11126.4°126.5°
C8C7H5108.8°109.5°
C8C7H6108.8°109.5°
C4O1C3117.2°117.0°
O1C4H1109.5°109.4°
O1C4H2109.5°109.4°
O1C4H3109.4°109.5°
C8C9N1110.3°110.0°
C9C8C11106.3°107.0°
C8C9H7124.9°125.0°
C9N1C10109.1°109.8°
C9N1H4125.5°125.1°
N1C9H7124.8°125.0°
C5NC6127.8°119.9°
NC5C3117.6°120.1°
NC5C16123.1°120.1°
C5NH27116.1°120.1°
NC6O2124.2°120.0°
C6NH27116.1°120.0°
O1C3C5115.2°120.1°
O1C3C2123.8°120.1°
C5C3C2121.0°119.8°
C3C5C16119.3°119.8°
C3C2C1119.7°120.0°
C3C2H25120.2°120.0°
C5C16C119.1°120.0°
C5C16H24120.4°120.0°
C2C1C119.5°120.2°
C1C2H25120.1°120.0°
C2C1H26120.2°119.9°
C16CC1121.4°120.1°
C16CS119.1°119.9°
CC16H24120.5°120.0°
C1CS119.4°119.9°
CC1H26120.2°119.9°
CSO108.3°106.4°
CSN2106.6°107.2°
OSN2106.7°106.4°
SN2C17116.0°120.5°
SN2C22118.3°120.5°
C8C11C10107.0°106.0°
C8C11C12134.3°134.0°
N1C10C11107.3°107.2°
N1C10C15130.9°133.5°
C10N1H4125.5°125.1°
N2C17C18114.3°116.4°
C17N2C22125.5°118.9°
N2C17H22108.2°108.2°
N2C17H23108.3°108.2°
C17C18C19111.3°110.1°
C17C18H20109.0°109.5°
C17C18H21109.0°109.2°
C18C17H22108.3°108.1°
C18C17H23108.2°107.8°
N2C22C21114.9°107.5°
N2C22H12108.1°109.8°
N2C22H13108.1°109.9°
C18C19C20114.9°110.8°
C18C19H18108.1°109.2°
C18C19H19108.1°109.2°
C19C18H20109.0°109.4°
C19C18H21109.0°109.4°
C10C11C12118.6°119.9°
C11C10C15121.8°119.4°
C11C12C13119.8°119.7°
C11C12H8120.1°120.1°
C10C15C14118.2°119.7°
C10C15H11120.9°120.1°
C22C21C20112.9°114.3°
C21C22H12108.1°109.8°
C21C22H13108.1°109.9°
C22C21H14108.6°108.5°
C22C21H15108.6°108.6°
C12C13C14120.6°120.5°
C13C12H8120.1°120.2°
C12C13H9119.7°119.7°
C19C20C21114.4°105.4°
C19C20H16108.2°110.3°
C19C20H17108.2°110.4°
C20C19H18108.1°109.2°
C20C19H19108.1°109.2°
C15C14C13120.9°120.7°
C15C14H10119.5°119.7°
C14C15H11120.9°120.1°
C20C21H14108.6°108.5°
C20C21H15108.6°108.4°
C21C20H16108.2°110.3°
C21C20H17108.2°110.2°
C14C13H9119.7°119.8°
C13C14H10119.6°119.6°
H1C4H2109.4°109.5°
H1C4H3109.5°109.5°
H2C4H3109.5°109.5°
H5C7H6109.5°109.4°
H12C22H13109.5°109.9°
H14C21H15109.5°108.4°
H16C20H17109.5°110.2°
H18C19H19109.5°109.2°
H20C18H21109.5°109.3°
H22C17H23109.5°107.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O3SCC1664.0°156.4°
O3SCC1114.2°23.5°
O3SCO131.4°132.9°
O3SCN2114.2°113.6°
O3SON2121.1°123.0°
O3SN2C1720.7°156.2°
O3SN2C22164.6°23.5°
C6C7C8H5120.4°120.0°
C6C7C8H6120.4°120.0°
C6C7C8C9109.8°94.5°
C7C6NC5162.1°174.5°
C7C6NO2179.9°180.0°
C6C7C8C1169.2°85.0°
C6C7H5H6118.8°120.0°
C7C6NH2717.9°5.5°
C7C8C9C11179.2°179.6°
C7C8C9N1178.8°179.8°
C8C7C6N163.1°180.0°
C8C7C6O216.9°0.0°
C7C8C11C10178.8°180.0°
C7C8C11C123.3°0.4°
C8C7H5H6118.8°120.0°
C7C8C9H71.2°0.1°
C4O1C3C5173.6°180.0°
C4O1C3C26.5°0.0°
O1C4H1H2120.0°119.9°
O1C4H1H3120.0°120.0°
O1C4H2H3120.0°120.0°
C8C9N1H7180.0°179.9°
C8C9N1C100.2°0.1°
C9C8C11C100.3°0.4°
C9C8C11C12177.5°180.0°
C8C9N1H4179.7°179.8°
C9C8C7H5129.8°145.5°
C9C8C7H610.7°25.5°
N1C9C8C110.3°0.2°
C9N1C10H4180.0°179.8°
C9N1C10C110.0°0.3°
C9N1C10C15178.5°179.8°
C5NC6H27180.0°180.0°
NC5C3O11.4°0.2°
NC5C3C16178.9°179.8°
NC5C3C2178.6°179.7°
NC5C16C178.3°179.7°
C5NC6O217.8°5.6°
NC5C16H241.7°0.2°
C6NC5C3162.0°155.4°
C6NC5C1619.1°24.8°
NC6C7H542.7°60.0°
NC6C7H676.5°60.0°
O1C3C5C2180.0°180.0°
O1C3C5C16179.7°180.0°
O1C3C2C1179.8°179.9°
C3O1C4H1180.0°60.1°
C3O1C4H260.0°180.0°
C3O1C4H360.0°60.0°
O1C3C2H250.2°0.0°
C5C3C2C10.2°0.0°
C3C5C16C0.5°0.1°
C3C5C16H24179.4°180.0°
C5C3C2H25179.8°180.0°
C3C5NH2718.0°24.6°
C2C3C5C160.3°0.0°
C3C2C1H25180.0°180.0°
C3C2C1C0.3°0.1°
C3C2C1H26179.7°179.9°
C5C16CH24180.0°179.9°
C5C16CC10.7°0.1°
C5C16CS177.5°180.0°
C16C5NH27160.9°155.2°
C2C1CC160.6°0.0°
C2C1CH26180.0°179.9°
C2C1CS177.6°179.9°
C16CC1S178.2°179.9°
C16CSO164.6°23.5°
C16CSN250.1°90.0°
C16CC1H26179.4°179.9°
C1CSO17.2°156.4°
C1CSN2131.6°90.0°
C1CC16H24179.3°179.9°
CC1C2H25179.7°180.0°
CSON2114.4°114.1°
CSN2C1794.5°90.3°
CSN2C2280.2°90.0°
SCC16H242.5°0.1°
SCC1H262.4°0.1°
OSN2C17150.0°23.2°
OSN2C2235.3°156.5°
SN2C17C22174.3°179.7°
SN2C17C18149.6°88.3°
SN2C22C21128.5°109.6°
SN2C22H12110.7°131.0°
SN2C22H137.8°10.0°
SN2C17H2289.7°33.6°
SN2C17H2328.9°150.2°
O2C6C7H5137.3°120.0°
O2C6C7H6103.5°120.0°
O2C6NH27162.2°174.4°
C8C11C10N10.2°0.4°
C8C11C10C12178.2°179.7°
C8C11C10C15178.9°179.7°
C8C11C12C13177.4°180.0°
C11C8C7H551.2°35.0°
C11C8C7H6170.4°155.0°
C11C8C9H7179.6°179.7°
C8C11C12H82.6°0.1°
N1C10C11C15178.7°179.9°
N1C10C11C12178.0°179.9°
N1C10C15C14177.2°178.9°
C10N1C9H7179.7°180.0°
N1C10C15H112.8°0.1°
N2C17C18H22120.7°121.9°
N2C17C18H23120.7°121.7°
N2C17C18C1964.1°41.3°
C17N2C22C2145.6°70.1°
C17N2C22H1275.2°49.3°
C17N2C22H13166.4°170.3°
N2C17C18H20175.6°161.6°
N2C17C18H2156.1°78.8°
N2C17H22H23117.8°116.8°
C18C17N2C2236.1°91.4°
C17C18C19H20120.3°120.3°
C17C18C19H21120.3°120.0°
C17C18C19C206.7°39.0°
C17C18C19H18127.5°159.3°
C17C18C19H19114.1°81.3°
C17C18H20H21119.2°119.6°
C18C17H22H23117.8°116.4°
N2C22C21H12120.8°119.5°
N2C22C21H13120.8°119.5°
N2C22C21C2037.8°58.4°
N2C22H12H13117.5°121.0°
N2C22C21H14158.3°179.6°
N2C22C21H1582.7°62.7°
C22N2C17H2284.6°146.7°
C22N2C17H23156.9°30.1°
C18C19C20H18120.8°120.3°
C18C19C20H19120.8°120.3°
C18C19C20C2185.0°97.7°
C18C19C20H1635.7°21.3°
C18C19C20H17154.3°143.3°
C18C19H18H19117.5°119.3°
C19C18H20H21119.2°119.7°
C19C18C17H2256.6°163.2°
C19C18C17H23175.1°80.4°
C10C11C12C130.2°0.4°
C11C10C15C141.2°1.0°
C11C10N1H4179.9°179.9°
C10C11C12H8179.8°179.5°
C11C10C15H11178.8°179.9°
C12C11C10C150.7°0.0°
C11C12C13H8180.0°179.9°
C11C12C13C140.6°0.1°
C11C12C13H9179.4°180.0°
C10C15C14H11180.0°179.0°
C10C15C14C130.7°1.5°
C15C10N1H41.5°0.0°
C10C15C14H10179.3°179.5°
C22C21C20C1946.2°89.4°
C22C21C20H14120.5°121.2°
C22C21C20H15120.5°121.2°
C21C22H12H13117.5°121.0°
C22C21H14H15118.4°117.8°
C22C21C20H1674.6°29.6°
C22C21C20H17166.9°151.5°
C12C13C14C150.1°1.1°
C12C13C14H9180.0°179.9°
C12C13C14H10179.9°179.9°
C19C20C21H16120.7°119.0°
C19C20C21H17120.7°119.1°
C19C20C21H1474.4°149.3°
C19C20C21H15166.6°31.8°
C19C20H16H17117.8°122.1°
C20C19H18H19117.6°119.4°
C20C19C18H20113.5°81.4°
C20C19C18H21127.0°158.9°
C15C14C13H10180.0°179.0°
C15C14C13H9179.9°179.0°
C20C21C22H1283.0°61.1°
C20C21C22H13158.6°177.9°
C20C21H14H15118.4°117.5°
C21C20H16H17117.7°121.9°
C21C20C19H18154.2°142.0°
C21C20C19H1935.7°22.6°
C14C13C12H8179.4°180.0°
C13C14C15H11179.2°179.5°
H1C4H2H3120.0°120.1°
H4N1C9H70.3°0.3°
H8C12C13H90.6°0.0°
H9C13C14H100.1°0.0°
H10C14C15H110.7°0.6°
H12C22C21H1437.5°60.1°
H12C22C21H15156.5°177.8°
H13C22C21H1480.9°60.8°
H13C22C21H1538.1°56.8°
H14C21C20H16164.9°91.6°
H14C21C20H1746.3°30.2°
H15C21C20H1645.9°150.8°
H15C21C20H1772.7°87.3°
H16C20C19H1885.1°99.0°
H16C20C19H19156.5°141.6°
H17C20C19H1833.5°22.9°
H17C20C19H1984.9°96.4°
H18C19C18H207.2°39.0°
H18C19C18H21112.2°80.7°
H19C19C18H20125.7°158.3°
H19C19C18H216.2°38.6°
H20C18C17H2263.7°76.5°
H20C18C17H2354.9°39.9°
H21C18C17H22176.8°43.1°
H21C18C17H2364.6°159.5°
H25C2C1H260.3°0.1°

222415

PDB entries from 2024-07-10

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