C9H6N2O3-1

Nitroxoline

Experimental GED r_e structure <bib id="TikhonovJPCA2018"/>. <jmol>

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20 experimental re structure (dynamic model)

 C     0.987411101972    1.720324602097    0.005147430021
 C    -0.261797444661    2.314397518147    0.017251951797
 H     1.880248369743    2.330496787254    0.006819960259
 H    -0.363909266013    3.391949089859    0.030063533715
 C     1.137939200179    0.362746521580   -0.003588670012
 C    -1.247214447939    0.107644149283    0.002940755505
 N    -2.420941734830   -0.561451898427   -0.004258712241
 C    -1.379520902470    1.522825523828    0.017861453363
 C     0.025995448682   -0.523988190945   -0.006298237633
 C     0.003472476128   -1.936216073066   -0.039260706534
 H     0.928212324808   -2.487685600274   -0.053313755470
 O     3.415599032587    0.672812750992   -0.154646156355
 H    -1.223240443591   -3.679819024485   -0.075612930162
 C    -1.198371096583   -2.597915278540   -0.050001839191
 H    -3.348458690842   -2.380307127087   -0.031271964268
 C    -2.389802952595   -1.871742404891   -0.027283600387
 N     2.507328086234   -0.134067856964    0.009312343218
 O     2.682671212042   -1.337508671178    0.188069848154
 H    -3.193699044246    1.272565531869    0.025439642362
 O    -2.596190189444    2.048101194619    0.030762495194
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