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(2s)-1-(9h-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol(CAU) Summary

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Molecule Trajectories PCA Clusters Dihedrals QM
Dihedrals Table
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Dih. Atom names Experimental Type
1 O17.1-C16.2-C18.3-N19.43-2-1-0 O17.4-C16.3-C18.2-N19.1 -43.209 Flexible
2 O17.1-C16.2-C15.8-O14.98-7-1-0 O17.9-C16.8-C15.2-O14.1 -177.594 Flexible
3 C16.2-C18.3-N19.4-C20.54-3-2-1 C16.5-C18.4-N19.3-C20.2 -149.465 Flexible
4 C16.2-C15.8-O14.9-C13.109-8-7-1 C16.10-C15.9-O14.8-C13.2 178.963 Flexible
5 C18.3-C16.2-C15.8-O14.98-7-1-2 C18.9-C16.8-C15.2-O14.3 -55.821 Flexible
6 C18.3-N19.4-C20.5-C21.65-4-3-2 C18.6-N19.5-C20.4-C21.3 -57.762 Flexible
7 C18.3-N19.4-C20.5-C22.76-4-3-2 C18.7-N19.5-C20.4-C22.3 178.678 Flexible
8 N19.4-C18.3-C16.2-C15.87-1-2-3 N19.8-C18.2-C16.3-C15.4 -163.673 Flexible
9 C15.8-O14.9-C13.10-C12.1110-9-8-7 C15.11-O14.10-C13.9-C12.8 -4.405 Flexible
10 C15.8-O14.9-C13.10-C9.1514-9-8-7 C15.15-O14.10-C13.9-C9.8 175.606 Flexible
11 O14.9-C13.10-C12.11-C11.1211-10-9-8 O14.12-C13.11-C12.10-C11.9 -179.991 Rigid
12 O14.9-C13.10-C9.15-C8.1413-14-9-8 O14.14-C13.15-C9.10-C8.9 -179.995 Rigid
13 O14.9-C13.10-C9.15-C4.1817-14-9-8 O14.18-C13.15-C9.10-C4.9 -0.087 Rigid
14 C13.10-C12.11-C11.12-C10.1312-11-10-9 C13.13-C12.12-C11.11-C10.10 -0.006 Rigid Ring
15 C13.10-C9.15-C8.14-C10.1312-13-14-9 C13.13-C9.14-C8.15-C10.10 -0.022 Rigid Ring
16 C13.10-C9.15-C8.14-N7.1615-13-14-9 C13.16-C9.14-C8.15-N7.10 179.998 Rigid Ring
17 C13.10-C9.15-C4.18-C3.1716-17-14-9 C13.17-C9.18-C4.15-C3.10 -179.943 Rigid Ring
18 C13.10-C9.15-C4.18-C5.2221-17-14-9 C13.22-C9.18-C4.15-C5.10 0.172 Rigid Ring
19 C12.11-C13.10-C9.15-C8.1413-14-9-10 C12.14-C13.15-C9.10-C8.11 0.015 Rigid Ring
20 C12.11-C13.10-C9.15-C4.1817-14-9-10 C12.18-C13.15-C9.10-C4.11 179.923 Rigid Ring
21 C12.11-C11.12-C10.13-C8.1413-12-11-10 C12.14-C11.13-C10.12-C8.11 -0 Rigid Ring
22 C11.12-C12.11-C13.10-C9.1514-9-10-11 C11.15-C12.10-C13.11-C9.12 -0.001 Rigid Ring
23 C11.12-C10.13-C8.14-C9.1514-13-12-11 C11.15-C10.14-C8.13-C9.12 0.014 Rigid Ring
24 C11.12-C10.13-C8.14-N7.1615-13-12-11 C11.16-C10.14-C8.13-N7.12 179.987 Rigid Ring
25 C10.13-C8.14-C9.15-C4.1817-14-13-12 C10.18-C8.15-C9.14-C4.13 -179.949 Rigid Ring
26 C10.13-C8.14-N7.16-C3.1716-15-13-12 C10.17-C8.16-N7.14-C3.13 179.934 Rigid Ring
27 C8.14-C9.15-C4.18-C3.1716-17-14-13 C8.17-C9.18-C4.15-C3.14 -0.025 Rigid Ring
28 C8.14-C9.15-C4.18-C5.2221-17-14-13 C8.22-C9.18-C4.15-C5.14 -179.91 Rigid Ring
29 C8.14-N7.16-C3.17-C4.1817-16-15-13 C8.18-N7.17-C3.16-C4.14 0.075 Rigid Ring
30 C8.14-N7.16-C3.17-C2.1918-16-15-13 C8.19-N7.17-C3.16-C2.14 179.959 Rigid Ring
31 C9.15-C8.14-N7.16-C3.1716-15-13-14 C9.17-C8.16-N7.14-C3.15 -0.091 Rigid Ring
32 C9.15-C4.18-C3.17-N7.1615-16-17-14 C9.16-C4.17-C3.18-N7.15 -0.029 Rigid Ring
33 C9.15-C4.18-C3.17-C2.1918-16-17-14 C9.19-C4.17-C3.18-C2.15 -179.935 Rigid Ring
34 C9.15-C4.18-C5.22-C6.2120-21-17-14 C9.21-C4.22-C5.18-C6.15 179.911 Rigid Ring
35 N7.16-C8.14-C9.15-C4.1817-14-13-15 N7.18-C8.15-C9.14-C4.16 0.071 Rigid Ring
36 N7.16-C3.17-C4.18-C5.2221-17-16-15 N7.22-C3.18-C4.17-C5.16 179.869 Rigid Ring
37 N7.16-C3.17-C2.19-C1.2019-18-16-15 N7.20-C3.19-C2.17-C1.16 -179.9 Rigid Ring
38 C3.17-C4.18-C5.22-C6.2120-21-17-16 C3.21-C4.22-C5.18-C6.17 0.039 Rigid Ring
39 C3.17-C2.19-C1.20-C6.2120-19-18-16 C3.21-C2.20-C1.19-C6.17 0.089 Rigid Ring
40 C4.18-C3.17-C2.19-C1.2019-18-16-17 C4.20-C3.19-C2.17-C1.18 -0.026 Rigid Ring
41 C4.18-C5.22-C6.21-C1.2019-20-21-17 C4.20-C5.21-C6.22-C1.18 0.023 Rigid Ring
42 C2.19-C3.17-C4.18-C5.2221-17-16-18 C2.22-C3.18-C4.17-C5.19 -0.037 Rigid Ring
43 C2.19-C1.20-C6.21-C5.2221-20-19-18 C2.22-C1.21-C6.20-C5.19 -0.088 Rigid Ring
Dihedrals
 
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