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(4r)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide(BZU) Summary

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  • (4r)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide(BZU) Summary
  • Dihedrals
Molecule Trajectories PCA Clusters Dihedrals QM
Dihedrals Table
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Dih. Atom names Experimental Type
1 N.1-C.2-C.3-C.43-2-1-0 N.4-C.3-C.2-C.1 37.369 Flexible Ring
2 N.1-C.2-C.3-N.1211-2-1-0 N.12-C.3-C.2-N.1 159.993 Flexible
3 N.1-S.6-C.5-C.43-4-5-0 N.4-S.5-C.6-C.1 -21.331 Rigid Ring
4 N.1-S.6-C.5-S.76-4-5-0 N.7-S.5-C.6-S.1 156.897 Rigid Ring
5 N.1-C.17-C.18-O.1918-17-16-0 N.19-C.18-C.17-O.1 178.695 Flexible
6 C.2-N.1-S.6-C.54-5-0-1 C.5-N.6-S.1-C.2 51.909 Flexible Ring
7 C.2-N.1-S.6-O.1514-5-0-1 C.15-N.6-S.1-O.2 -61.801 Flexible
8 C.2-N.1-S.6-O.1615-5-0-1 C.16-N.6-S.1-O.2 167.596 Flexible
9 C.2-N.1-C.17-C.1817-16-0-1 C.18-N.17-C.1-C.2 -67.625 Flexible
10 C.2-C.3-C.4-C.54-3-2-1 C.5-C.4-C.3-C.2 -5.077 Flexible Ring
11 C.2-C.3-C.4-C.98-3-2-1 C.9-C.4-C.3-C.2 177.743 Flexible Ring
12 C.2-C.3-N.12-C.1312-11-2-1 C.13-C.12-N.3-C.2 64.175 Flexible
13 C.3-C.4-C.5-S.65-4-3-2 C.6-C.5-C.4-S.3 0.027 Rigid Ring
14 C.3-C.4-C.5-S.76-4-3-2 C.7-C.5-C.4-S.3 -178.348 Rigid Ring
15 C.3-C.4-C.9-C.87-8-3-2 C.8-C.9-C.4-C.3 178.709 Rigid Ring
16 C.3-N.12-C.13-C.1413-12-11-2 C.14-N.13-C.12-C.3 174.556 Flexible
17 C.4-C.3-N.12-C.1312-11-2-3 C.13-C.12-N.3-C.4 -170.494 Flexible
18 C.4-C.5-S.6-O.1514-5-4-3 C.15-C.6-S.5-O.4 92.885 Rigid
19 C.4-C.5-S.6-O.1615-5-4-3 C.16-C.6-S.5-O.4 -136.675 Rigid
20 C.4-C.5-S.7-C.87-6-4-3 C.8-C.7-S.5-C.4 0.202 Rigid Ring
21 C.4-C.9-C.8-S.76-7-8-3 C.7-C.8-C.9-S.4 -1.081 Rigid Ring
22 C.4-C.9-C.8-S.109-7-8-3 C.10-C.8-C.9-S.4 -177.491 Rigid
23 C.5-C.4-C.3-N.1211-2-3-4 C.12-C.3-C.4-N.5 -127.11 Flexible
24 C.5-C.4-C.9-C.87-8-3-4 C.8-C.9-C.4-C.5 1.209 Rigid Ring
25 C.5-S.7-C.8-C.98-7-6-4 C.9-S.8-C.7-C.5 0.515 Rigid Ring
26 C.5-S.7-C.8-S.109-7-6-4 C.10-S.8-C.7-S.5 177.21 Rigid
27 S.6-N.1-C.2-C.32-1-0-5 S.3-N.2-C.1-C.6 -65.001 Flexible Ring
28 S.6-N.1-C.17-C.1817-16-0-5 S.18-N.17-C.1-C.6 83.609 Flexible
29 S.6-C.5-C.4-C.98-3-4-5 S.9-C.4-C.5-C.6 177.544 Rigid Ring
30 S.6-C.5-S.7-C.87-6-4-5 S.8-C.7-S.5-C.6 -178.172 Rigid Ring
31 S.7-C.5-C.4-C.98-3-4-6 S.9-C.4-C.5-C.7 -0.831 Rigid Ring
32 S.7-C.5-S.6-O.1514-5-4-6 S.15-C.6-S.5-O.7 -88.887 Rigid
33 S.7-C.5-S.6-O.1615-5-4-6 S.16-C.6-S.5-O.7 41.554 Rigid
34 S.7-C.8-S.10-N.1110-9-7-6 S.11-C.10-S.8-N.7 118.938 Flexible
35 S.7-C.8-S.10-O.2221-9-7-6 S.22-C.10-S.8-O.7 -129.015 Flexible
36 S.7-C.8-S.10-O.2322-9-7-6 S.23-C.10-S.8-O.7 0.012 Flexible
37 C.9-C.4-C.3-N.1211-2-3-8 C.12-C.3-C.4-N.9 55.711 Flexible
38 C.9-C.8-S.10-N.1110-9-7-8 C.11-C.10-S.8-N.9 -64.85 Flexible
39 C.9-C.8-S.10-O.2221-9-7-8 C.22-C.10-S.8-O.9 47.197 Flexible
40 C.9-C.8-S.10-O.2322-9-7-8 C.23-C.10-S.8-O.9 176.224 Flexible
41 C.17-N.1-C.2-C.32-1-0-16 C.3-N.2-C.1-C.17 87.934 Rigid
42 C.17-N.1-S.6-C.54-5-0-16 C.5-N.6-S.1-C.17 -101.119 Rigid
43 C.17-N.1-S.6-O.1514-5-0-16 C.15-N.6-S.1-O.17 145.171 Rigid
44 C.17-N.1-S.6-O.1615-5-0-16 C.16-N.6-S.1-O.17 14.567 Rigid
45 C.17-C.18-O.19-C.2019-18-17-16 C.20-C.19-O.18-C.17 86.479 Flexible
46 C.18-O.19-C.20-C.2120-19-18-17 C.21-O.20-C.19-C.18 -179.76 Flexible
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