4-[4-(4-chloro-phenoxy)-benzenesulfonylmethyl]-tetrahydro-pyran-4-carboxylic acid hydroxyamide (RS1) Summary

Dih. Atom names Experimental Type
1 C1.1-C2.2-C3.3-C4.43-2-1-0 C1.4-C2.3-C3.2-C4.1 0.231 Rigid Ring
2 C1.1-C6.6-C5.5-C4.43-4-5-0 C1.4-C6.5-C5.6-C4.1 -0.353 Rigid Ring
3 C1.1-C6.6-C5.5-O11.76-4-5-0 C1.7-C6.5-C5.6-O11.1 177.718 Rigid
4 C2.2-C1.1-C6.6-C5.54-5-0-1 C2.5-C1.6-C6.1-C5.2 -0.703 Rigid Ring
5 C2.2-C3.3-C4.4-C5.54-3-2-1 C2.5-C3.4-C4.3-C5.2 -1.289 Rigid Ring
6 C3.3-C4.4-C5.5-C6.65-4-3-2 C3.6-C4.5-C5.4-C6.3 1.373 Rigid Ring
7 C3.3-C4.4-C5.5-O11.76-4-3-2 C3.7-C4.5-C5.4-O11.3 -176.926 Rigid
8 C4.4-C3.3-C2.2-CL2.2827-1-2-3 C4.28-C3.2-C2.3-CL2.4 178.702 Rigid
9 C4.4-C5.5-O11.7-C12.87-6-4-3 C4.8-C5.7-O11.5-C12.4 -133.408 Flexible
10 C5.5-O11.7-C12.8-C13.98-7-6-4 C5.9-O11.8-C12.7-C13.5 -163.686 Flexible
11 C5.5-O11.7-C12.8-C17.1312-7-6-4 C5.13-O11.8-C12.7-C17.5 17.873 Flexible
12 C6.6-C1.1-C2.2-C3.32-1-0-5 C6.3-C1.2-C2.1-C3.6 0.775 Rigid Ring
13 C6.6-C1.1-C2.2-CL2.2827-1-0-5 C6.28-C1.2-C2.1-CL2.6 -177.652 Rigid
14 C6.6-C5.5-O11.7-C12.87-6-4-5 C6.8-C5.7-O11.5-C12.6 48.373 Flexible
15 O11.7-C12.8-C13.9-C14.109-8-7-6 O11.10-C12.9-C13.8-C14.7 -177.753 Rigid
16 O11.7-C12.8-C17.13-C16.1211-12-7-6 O11.12-C12.13-C17.8-C16.7 176.174 Rigid
17 C12.8-C13.9-C14.10-C15.1110-9-8-7 C12.11-C13.10-C14.9-C15.8 2.443 Rigid Ring
18 C12.8-C17.13-C16.12-C15.1110-11-12-7 C12.11-C17.12-C16.13-C15.8 0.31 Rigid Ring
19 C13.9-C12.8-C17.13-C16.1211-12-7-8 C13.12-C12.13-C17.8-C16.9 -2.157 Rigid Ring
20 C13.9-C14.10-C15.11-C16.1211-10-9-8 C13.12-C14.11-C15.10-C16.9 -4.313 Rigid Ring
21 C13.9-C14.10-C15.11-S22.1413-10-9-8 C13.14-C14.11-C15.10-S22.9 176.151 Rigid
22 C14.10-C13.9-C12.8-C17.1312-7-8-9 C14.13-C13.8-C12.9-C17.10 0.77 Rigid Ring
23 C14.10-C15.11-C16.12-C17.1312-11-10-9 C14.13-C15.12-C16.11-C17.10 2.95 Rigid Ring
24 C14.10-C15.11-S22.14-O23.1514-13-10-9 C14.15-C15.14-S22.11-O23.10 -22.436 Flexible
25 C14.10-C15.11-S22.14-O24.1615-13-10-9 C14.16-C15.14-S22.11-O24.10 -145.887 Flexible
26 C14.10-C15.11-S22.14-C25.1716-13-10-9 C14.17-C15.14-S22.11-C25.10 102.973 Flexible
27 C15.11-S22.14-C25.17-C26.1817-16-13-10 C15.18-S22.17-C25.14-C26.11 -93.911 Flexible
28 C16.12-C15.11-S22.14-O23.1514-13-10-11 C16.15-C15.14-S22.11-O23.12 158.018 Flexible
29 C16.12-C15.11-S22.14-O24.1615-13-10-11 C16.16-C15.14-S22.11-O24.12 34.568 Flexible
30 C16.12-C15.11-S22.14-C25.1716-13-10-11 C16.17-C15.14-S22.11-C25.12 -76.572 Flexible
31 C17.13-C16.12-C15.11-S22.1413-10-11-12 C17.14-C16.11-C15.12-S22.13 -177.511 Rigid
32 S22.14-C25.17-C26.18-C29.1918-17-16-13 S22.19-C25.18-C26.17-C29.14 -49.75 Flexible
33 S22.14-C25.17-C26.18-C33.2322-17-16-13 S22.23-C25.18-C26.17-C33.14 -168.404 Flexible
34 S22.14-C25.17-C26.18-C40.2423-17-16-13 S22.24-C25.18-C26.17-C40.14 75.47 Flexible
35 O23.15-S22.14-C25.17-C26.1817-16-13-14 O23.18-S22.17-C25.14-C26.15 30.424 Flexible
36 O24.16-S22.14-C25.17-C26.1817-16-13-15 O24.18-S22.17-C25.14-C26.16 157.931 Flexible
37 C25.17-C26.18-C29.19-C30.2019-18-17-16 C25.20-C26.19-C29.18-C30.17 -162.708 Rigid
38 C25.17-C26.18-C33.23-C32.2221-22-17-16 C25.22-C26.23-C33.18-C32.17 169.165 Rigid
39 C25.17-C26.18-C40.24-N41.2524-23-17-16 C25.25-C26.24-C40.18-N41.17 -122.666 Flexible
40 C25.17-C26.18-C40.24-O42.2625-23-17-16 C25.26-C26.24-C40.18-O42.17 59.517 Flexible
41 C26.18-C29.19-C30.20-O31.2120-19-18-17 C26.21-C29.20-C30.19-O31.18 52.08 Rigid Ring
42 C26.18-C33.23-C32.22-O31.2120-21-22-17 C26.21-C33.22-C32.23-O31.18 -58.232 Rigid Ring
43 C26.18-C40.24-N41.25-O43.2726-24-23-17 C26.27-C40.25-N41.24-O43.18 -171.262 Rigid
44 C29.19-C26.18-C33.23-C32.2221-22-17-18 C29.22-C26.23-C33.18-C32.19 48.251 Rigid Ring
45 C29.19-C26.18-C40.24-N41.2524-23-17-18 C29.25-C26.24-C40.18-N41.19 2.286 Flexible
46 C29.19-C26.18-C40.24-O42.2625-23-17-18 C29.26-C26.24-C40.18-O42.19 -175.532 Flexible
47 C29.19-C30.20-O31.21-C32.2221-20-19-18 C29.22-C30.21-O31.20-C32.19 -63.451 Rigid Ring
48 C30.20-C29.19-C26.18-C33.2322-17-18-19 C30.23-C29.18-C26.19-C33.20 -45.854 Rigid Ring
49 C30.20-C29.19-C26.18-C40.2423-17-18-19 C30.24-C29.18-C26.19-C40.20 74.518 Rigid
50 C30.20-O31.21-C32.22-C33.2322-21-20-19 C30.23-O31.22-C32.21-C33.20 66.733 Rigid Ring
51 C32.22-C33.23-C26.18-C40.2423-17-22-21 C32.24-C33.18-C26.23-C40.22 -74.755 Rigid
52 C33.23-C26.18-C40.24-N41.2524-23-17-22 C33.25-C26.24-C40.18-N41.23 122.905 Flexible
53 C33.23-C26.18-C40.24-O42.2625-23-17-22 C33.26-C26.24-C40.18-O42.23 -54.913 Flexible
54 O42.26-C40.24-N41.25-O43.2726-24-23-25 O42.27-C40.25-N41.24-O43.26 6.697 Rigid
Dihedrals
 
Dihedrals Histogram