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2-(3'-methoxyphenyl) benzimidazole-4-carboxamide(BZC) Summary

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  • 2-(3'-methoxyphenyl) benzimidazole-4-carboxamide(BZC) Summary
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Molecule Trajectories PCA Clusters Dihedrals QM
Dihedrals Table
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Dih. Atom names Experimental Type
1 C.1-N.2-C.3-N.43-2-1-0 C.4-N.3-C.2-N.1 -0.685 Rigid Ring
2 C.1-N.2-C.3-C.87-2-1-0 C.8-N.3-C.2-C.1 179.816 Rigid
3 C.1-C.5-N.4-C.32-3-4-0 C.3-C.4-N.5-C.1 0.37 Rigid Ring
4 C.1-C.5-C.6-C.109-5-4-0 C.10-C.6-C.5-C.1 -0.014 Rigid Ring
5 C.1-C.7-C.9-C.109-8-6-0 C.10-C.9-C.7-C.1 -0.547 Rigid Ring
6 C.1-C.7-C.11-N.1211-10-6-0 C.12-C.11-C.7-N.1 48.07 Flexible
7 C.1-C.7-C.11-O.1312-10-6-0 C.13-C.11-C.7-O.1 -131.392 Flexible
8 N.2-C.1-C.5-N.43-4-0-1 N.4-C.5-C.1-N.2 -0.782 Rigid Ring
9 N.2-C.1-C.5-C.65-4-0-1 N.6-C.5-C.1-C.2 178.823 Rigid Ring
10 N.2-C.1-C.7-C.98-6-0-1 N.9-C.7-C.1-C.2 -178.292 Rigid Ring
11 N.2-C.1-C.7-C.1110-6-0-1 N.11-C.7-C.1-C.2 1.003 Rigid
12 N.2-C.3-N.4-C.54-3-2-1 N.5-C.4-N.3-C.2 0.185 Rigid Ring
13 N.2-C.3-C.8-C.1413-7-2-1 N.14-C.8-C.3-C.2 52.558 Flexible
14 N.2-C.3-C.8-C.1514-7-2-1 N.15-C.8-C.3-C.2 -127.683 Flexible
15 C.3-N.4-C.5-C.65-4-3-2 C.6-N.5-C.4-C.3 -179.175 Rigid Ring
16 C.3-C.8-C.14-C.1615-13-7-2 C.16-C.14-C.8-C.3 179.735 Rigid
17 C.3-C.8-C.15-C.1918-14-7-2 C.19-C.15-C.8-C.3 179.759 Rigid
18 N.4-C.3-C.8-C.1413-7-2-3 N.14-C.8-C.3-C.4 -126.873 Flexible
19 N.4-C.3-C.8-C.1514-7-2-3 N.15-C.8-C.3-C.4 52.886 Flexible
20 N.4-C.5-C.6-C.109-5-4-3 N.10-C.6-C.5-C.4 179.49 Rigid Ring
21 C.5-C.1-N.2-C.32-1-0-4 C.3-C.2-N.1-C.5 0.859 Rigid Ring
22 C.5-C.1-C.7-C.98-6-0-4 C.9-C.7-C.1-C.5 0.623 Rigid Ring
23 C.5-C.1-C.7-C.1110-6-0-4 C.11-C.7-C.1-C.5 179.918 Rigid
24 C.5-N.4-C.3-C.87-2-3-4 C.8-N.3-C.4-C.5 179.662 Rigid
25 C.5-C.6-C.10-C.98-9-5-4 C.9-C.10-C.6-C.5 0.097 Rigid Ring
26 C.6-C.10-C.9-C.76-8-9-5 C.7-C.9-C.10-C.6 0.191 Rigid Ring
27 C.7-C.1-N.2-C.32-1-0-6 C.3-C.2-N.1-C.7 179.888 Rigid Ring
28 C.7-C.1-C.5-N.43-4-0-6 C.4-C.5-C.1-N.7 -179.96 Rigid Ring
29 C.7-C.1-C.5-C.65-4-0-6 C.6-C.5-C.1-C.7 -0.355 Rigid Ring
30 C.8-C.14-C.16-O.1716-15-13-7 C.17-C.16-C.14-O.8 179.799 Rigid
31 C.8-C.14-C.16-C.1817-15-13-7 C.18-C.16-C.14-C.8 0.405 Rigid Ring
32 C.8-C.15-C.19-C.1817-18-14-7 C.18-C.19-C.15-C.8 0.62 Rigid Ring
33 C.9-C.7-C.11-N.1211-10-6-8 C.12-C.11-C.7-N.9 -132.646 Flexible
34 C.9-C.7-C.11-O.1312-10-6-8 C.13-C.11-C.7-O.9 47.892 Flexible
35 C.10-C.9-C.7-C.1110-6-8-9 C.11-C.7-C.9-C.10 -179.868 Rigid
36 C.14-C.8-C.15-C.1918-14-7-13 C.19-C.15-C.8-C.14 -0.486 Rigid Ring
37 C.14-C.16-O.17-C.2019-16-15-13 C.20-C.17-O.16-C.14 7.347 Flexible
38 C.14-C.16-C.18-C.1918-17-15-13 C.19-C.18-C.16-C.14 -0.276 Rigid Ring
39 C.15-C.8-C.14-C.1615-13-7-14 C.16-C.14-C.8-C.15 -0.021 Rigid Ring
40 C.15-C.19-C.18-C.1615-17-18-14 C.16-C.18-C.19-C.15 -0.243 Rigid Ring
41 O.17-C.16-C.18-C.1918-17-15-16 O.19-C.18-C.16-C.17 -179.723 Rigid
42 C.18-C.16-O.17-C.2019-16-15-17 C.20-C.17-O.16-C.18 -173.225 Flexible
Dihedrals
 
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