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2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9cl)(BRL) Summary

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  • 2,4-thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9cl)(BRL) Summary
  • Dihedrals
Molecule Trajectories PCA Clusters Dihedrals QM
Dihedrals Table
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Dih. Atom names Experimental Type
1 S1.1-C2.8-N3.5-C4.98-4-7-0 S1.9-C2.5-N3.8-C4.1 -0.067 Rigid Ring
2 S1.1-C5.10-C4.9-O4.32-8-9-0 S1.3-C5.9-C4.10-O4.1 179.476 Rigid
3 S1.1-C5.10-C4.9-N3.54-8-9-0 S1.5-C5.9-C4.10-N3.1 -0.038 Rigid Ring
4 S1.1-C5.10-C6.11-C7.1211-10-9-0 S1.12-C5.11-C6.10-C7.1 -67.194 Flexible
5 O2.2-C2.8-N3.5-C4.98-4-7-1 O2.9-C2.5-N3.8-C4.2 -179.713 Rigid
6 O4.3-C4.9-N3.5-C2.87-4-8-2 O4.8-C4.5-N3.9-C2.3 -179.455 Rigid
7 O4.3-C4.9-C5.10-C6.1110-9-8-2 O4.11-C4.10-C5.9-C6.3 -61.635 Rigid
8 O13.4-C10.15-C9.14-C8.1312-13-14-3 O13.13-C10.14-C9.15-C8.4 179.865 Rigid
9 O13.4-C10.15-C11.16-C12.1716-15-14-3 O13.17-C10.16-C11.15-C12.4 -179.932 Rigid
10 O13.4-C14.18-C15.19-N16.65-18-17-3 O13.6-C14.19-C15.18-N16.4 -82.54 Flexible
11 N3.5-C4.9-C5.10-C6.1110-9-8-4 N3.11-C4.10-C5.9-C6.5 118.85 Rigid
12 N16.6-C17.21-N18.7-C19.2221-6-20-5 N16.22-C17.7-N18.21-C19.6 -179.947 Rigid
13 N16.6-C17.21-C22.25-C21.2423-24-20-5 N16.24-C17.25-C22.21-C21.6 -179.993 Rigid
14 N18.7-C17.21-N16.6-C15.1918-5-20-6 N18.19-C17.6-N16.21-C15.7 -4.087 Flexible
15 N18.7-C17.21-N16.6-C16.2019-5-20-6 N18.20-C17.6-N16.21-C16.7 175.518 Flexible
16 N18.7-C17.21-C22.25-C21.2423-24-20-6 N18.24-C17.25-C22.21-C21.7 0.125 Rigid Ring
17 N18.7-C19.22-C20.23-C21.2423-22-21-6 N18.24-C19.23-C20.22-C21.7 -0.03 Rigid Ring
18 C2.8-S1.1-C5.10-C4.98-9-0-7 C2.9-S1.10-C5.1-C4.8 0.001 Rigid Ring
19 C2.8-S1.1-C5.10-C6.1110-9-0-7 C2.11-S1.10-C5.1-C6.8 -120.865 Rigid
20 C2.8-N3.5-C4.9-C5.109-8-4-7 C2.10-N3.9-C4.5-C5.8 0.068 Rigid Ring
21 C4.9-C5.10-C6.11-C7.1211-10-9-8 C4.12-C5.11-C6.10-C7.9 177.38 Flexible
22 C5.10-S1.1-C2.8-O2.21-7-0-9 C5.2-S1.8-C2.1-O2.10 179.679 Rigid
23 C5.10-S1.1-C2.8-N3.54-7-0-9 C5.5-S1.8-C2.1-N3.10 0.037 Rigid Ring
24 C5.10-C6.11-C7.12-C8.1312-11-10-9 C5.13-C6.12-C7.11-C8.10 -85.451 Flexible
25 C5.10-C6.11-C7.12-C12.1716-11-10-9 C5.17-C6.12-C7.11-C12.10 94.52 Flexible
26 C6.11-C7.12-C8.13-C9.1413-12-11-10 C6.14-C7.13-C8.12-C9.11 179.943 Rigid
27 C6.11-C7.12-C12.17-C11.1615-16-11-10 C6.16-C7.17-C12.12-C11.11 -179.962 Rigid
28 C7.12-C8.13-C9.14-C10.1514-13-12-11 C7.15-C8.14-C9.13-C10.12 -0.178 Rigid Ring
29 C7.12-C12.17-C11.16-C10.1514-15-16-11 C7.15-C12.16-C11.17-C10.12 0.223 Rigid Ring
30 C8.13-C7.12-C12.17-C11.1615-16-11-12 C8.16-C7.17-C12.12-C11.13 0.009 Rigid Ring
31 C8.13-C9.14-C10.15-C11.1615-14-13-12 C8.16-C9.15-C10.14-C11.13 0.402 Rigid Ring
32 C9.14-C8.13-C7.12-C12.1716-11-12-13 C9.17-C8.12-C7.13-C12.14 -0.028 Rigid Ring
33 C9.14-C10.15-O13.4-C14.1817-3-14-13 C9.18-C10.4-O13.15-C14.14 31.611 Flexible
34 C9.14-C10.15-C11.16-C12.1716-15-14-13 C9.17-C10.16-C11.15-C12.14 -0.422 Rigid Ring
35 C10.15-O13.4-C14.18-C15.1918-17-3-14 C10.19-O13.18-C14.4-C15.15 159.942 Flexible
36 C11.16-C10.15-O13.4-C14.1817-3-14-15 C11.18-C10.4-O13.15-C14.16 -148.914 Flexible
37 C14.18-C15.19-N16.6-C16.2019-5-18-17 C14.20-C15.6-N16.19-C16.18 104.816 Flexible
38 C14.18-C15.19-N16.6-C17.2120-5-18-17 C14.21-C15.6-N16.19-C17.18 -75.572 Flexible
39 C15.19-N16.6-C17.21-C22.2524-20-5-18 C15.25-N16.21-C17.6-C22.19 176.034 Flexible
40 C16.20-N16.6-C17.21-C22.2524-20-5-19 C16.25-N16.21-C17.6-C22.20 -4.361 Flexible
41 C17.21-N18.7-C19.22-C20.2322-21-6-20 C17.23-N18.22-C19.7-C20.21 0.018 Rigid Ring
42 C17.21-C22.25-C21.24-C20.2322-23-24-20 C17.23-C22.24-C21.25-C20.21 -0.139 Rigid Ring
43 C19.22-N18.7-C17.21-C22.2524-20-6-21 C19.25-N18.21-C17.7-C22.22 -0.064 Rigid Ring
44 C19.22-C20.23-C21.24-C22.2524-23-22-21 C19.25-C20.24-C21.23-C22.22 0.091 Rigid Ring
Dihedrals
 
Dihedrals Histogram
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