2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4h-benzopyran-4-one (CPB) Summary

Dih. Atom names Experimental Type
1 C1.1-N1.2-C16.3-C15.43-2-1-0 C1.4-N1.3-C16.2-C15.1 -178.486 Rigid
2 C1.1-N1.2-C12.7-C13.65-6-1-0 C1.6-N1.7-C12.2-C13.1 177.201 Rigid
3 N1.2-C16.3-C15.4-C14.54-3-2-1 N1.5-C16.4-C15.3-C14.2 -54.816 Rigid Ring
4 N1.2-C12.7-C13.6-C14.54-5-6-1 N1.5-C12.6-C13.7-C14.2 58.076 Rigid Ring
5 N1.2-C12.7-C13.6-O3.2827-5-6-1 N1.28-C12.6-C13.7-O3.2 -62.756 Rigid
6 C16.3-N1.2-C12.7-C13.65-6-1-2 C16.6-N1.7-C12.2-C13.3 -62.797 Rigid Ring
7 C16.3-C15.4-C14.5-C13.65-4-3-2 C16.6-C15.5-C14.4-C13.3 51.938 Rigid Ring
8 C16.3-C15.4-C14.5-C8.87-4-3-2 C16.8-C15.5-C14.4-C8.3 -178.627 Rigid
9 C15.4-C16.3-N1.2-C12.76-1-2-3 C15.7-C16.2-N1.3-C12.4 61.366 Rigid Ring
10 C15.4-C14.5-C13.6-C12.76-5-4-3 C15.7-C14.6-C13.5-C12.4 -54.009 Rigid Ring
11 C15.4-C14.5-C13.6-O3.2827-5-4-3 C15.28-C14.6-C13.5-O3.4 65.187 Rigid
12 C15.4-C14.5-C8.8-C9.98-7-4-3 C15.9-C14.8-C8.5-C9.4 111.785 Rigid
13 C15.4-C14.5-C8.8-C7.1918-7-4-3 C15.19-C14.8-C8.5-C7.4 -67.558 Rigid
14 C14.5-C8.8-C9.9-O1.109-8-7-4 C14.10-C8.9-C9.8-O1.5 0.772 Rigid
15 C14.5-C8.8-C9.9-C10.1514-8-7-4 C14.15-C8.9-C9.8-C10.5 -179.161 Rigid
16 C14.5-C8.8-C7.19-C6.1817-18-7-4 C14.18-C8.19-C7.8-C6.5 -179.899 Rigid
17 C14.5-C8.8-C7.19-O7.2019-18-7-4 C14.20-C8.19-C7.8-O7.5 -0.626 Rigid
18 C13.6-C14.5-C8.8-C9.98-7-4-5 C13.9-C14.8-C8.5-C9.6 -120.114 Rigid
19 C13.6-C14.5-C8.8-C7.1918-7-4-5 C13.19-C14.8-C8.5-C7.6 60.543 Rigid
20 C12.7-C13.6-C14.5-C8.87-4-5-6 C12.8-C13.5-C14.6-C8.7 177.857 Rigid
21 C8.8-C14.5-C13.6-O3.2827-5-4-7 C8.28-C14.6-C13.5-O3.8 -62.947 Rigid
22 C8.8-C9.9-O1.10-C2.1110-9-8-7 C8.11-C9.10-O1.9-C2.8 177.865 Rigid Ring
23 C8.8-C9.9-C10.15-C4.1312-14-8-7 C8.13-C9.15-C10.9-C4.8 -178.961 Rigid Ring
24 C8.8-C9.9-C10.15-C5.1615-14-8-7 C8.16-C9.15-C10.9-C5.8 -1.34 Rigid Ring
25 C8.8-C7.19-C6.18-C5.1615-17-18-7 C8.16-C7.18-C6.19-C5.8 -0.625 Rigid Ring
26 C9.9-C8.8-C7.19-C6.1817-18-7-8 C9.18-C8.19-C7.8-C6.9 0.767 Rigid Ring
27 C9.9-C8.8-C7.19-O7.2019-18-7-8 C9.20-C8.19-C7.8-O7.9 -179.96 Rigid
28 C9.9-O1.10-C2.11-C3.1211-10-9-8 C9.12-O1.11-C2.10-C3.9 1.6 Flexible Ring
29 C9.9-O1.10-C2.11-C21.2120-10-9-8 C9.21-O1.11-C2.10-C21.9 -177.102 Rigid
30 C9.9-C10.15-C4.13-C3.1211-12-14-8 C9.12-C10.13-C4.15-C3.9 0.575 Rigid Ring
31 C9.9-C10.15-C4.13-O4.1413-12-14-8 C9.14-C10.13-C4.15-O4.9 179.526 Rigid
32 C9.9-C10.15-C5.16-O5.1716-15-14-8 C9.17-C10.16-C5.15-O5.9 -179.023 Rigid
33 C9.9-C10.15-C5.16-C6.1817-15-14-8 C9.18-C10.16-C5.15-C6.9 1.487 Rigid Ring
34 O1.10-C9.9-C8.8-C7.1918-7-8-9 O1.19-C9.8-C8.9-C7.10 -179.852 Rigid Ring
35 O1.10-C9.9-C10.15-C4.1312-14-8-9 O1.13-C9.15-C10.9-C4.10 1.108 Rigid Ring
36 O1.10-C9.9-C10.15-C5.1615-14-8-9 O1.16-C9.15-C10.9-C5.10 178.729 Rigid Ring
37 O1.10-C2.11-C3.12-C4.1312-11-10-9 O1.13-C2.12-C3.11-C4.10 0.076 Rigid Ring
38 O1.10-C2.11-C21.21-C22.2221-20-10-9 O1.22-C2.21-C21.11-C22.10 -34.024 Flexible
39 O1.10-C2.11-C21.21-C26.2726-20-10-9 O1.27-C2.21-C21.11-C26.10 144.444 Flexible
40 C2.11-O1.10-C9.9-C10.1514-8-9-10 C2.15-O1.9-C9.10-C10.11 -2.202 Rigid Ring
41 C2.11-C3.12-C4.13-O4.1413-12-11-10 C2.14-C3.13-C4.12-O4.11 179.872 Rigid
42 C2.11-C3.12-C4.13-C10.1514-12-11-10 C2.15-C3.13-C4.12-C10.11 -1.16 Rigid Ring
43 C2.11-C21.21-C22.22-CL1.2322-21-20-10 C2.23-C21.22-C22.21-CL1.11 -1.197 Rigid
44 C2.11-C21.21-C22.22-C23.2423-21-20-10 C2.24-C21.22-C22.21-C23.11 179.25 Rigid
45 C2.11-C21.21-C26.27-C25.2625-26-20-10 C2.26-C21.27-C26.21-C25.11 -179.369 Rigid
46 C3.12-C2.11-C21.21-C22.2221-20-10-11 C3.22-C2.21-C21.11-C22.12 147.264 Flexible
47 C3.12-C2.11-C21.21-C26.2726-20-10-11 C3.27-C2.21-C21.11-C26.12 -34.268 Flexible
48 C3.12-C4.13-C10.15-C5.1615-14-12-11 C3.16-C4.15-C10.13-C5.12 -177.015 Rigid Ring
49 C4.13-C3.12-C2.11-C21.2120-10-11-12 C4.21-C3.11-C2.12-C21.13 178.784 Rigid
50 C4.13-C10.15-C5.16-O5.1716-15-14-12 C4.17-C10.16-C5.15-O5.13 -1.449 Rigid
51 C4.13-C10.15-C5.16-C6.1817-15-14-12 C4.18-C10.16-C5.15-C6.13 179.061 Rigid Ring
52 O4.14-C4.13-C10.15-C5.1615-14-12-13 O4.16-C4.15-C10.13-C5.14 1.936 Rigid
53 C10.15-C9.9-C8.8-C7.1918-7-8-14 C10.19-C9.8-C8.9-C7.15 0.215 Rigid Ring
54 C10.15-C5.16-C6.18-C7.1918-17-15-14 C10.19-C5.18-C6.16-C7.15 -0.512 Rigid Ring
55 C5.16-C6.18-C7.19-O7.2019-18-17-15 C5.20-C6.19-C7.18-O7.16 -179.936 Rigid
56 O5.17-C5.16-C6.18-C7.1918-17-15-16 O5.19-C5.18-C6.16-C7.17 179.982 Rigid
57 C21.21-C22.22-C23.24-C24.2524-23-21-20 C21.25-C22.24-C23.22-C24.21 -0.306 Rigid Ring
58 C21.21-C26.27-C25.26-C24.2524-25-26-20 C21.25-C26.26-C25.27-C24.21 0.392 Rigid Ring
59 C22.22-C21.21-C26.27-C25.2625-26-20-21 C22.26-C21.27-C26.21-C25.22 -0.836 Rigid Ring
60 C22.22-C23.24-C24.25-C25.2625-24-23-21 C22.26-C23.25-C24.24-C25.22 -0.151 Rigid Ring
61 CL1.23-C22.22-C21.21-C26.2726-20-21-22 CL1.27-C22.21-C21.22-C26.23 -179.653 Rigid
62 CL1.23-C22.22-C23.24-C24.2524-23-21-22 CL1.25-C22.24-C23.22-C24.23 -179.879 Rigid
63 C23.24-C22.22-C21.21-C26.2726-20-21-23 C23.27-C22.21-C21.22-C26.24 0.794 Rigid Ring
64 C23.24-C24.25-C25.26-C26.2726-25-24-23 C23.27-C24.26-C25.25-C26.24 0.109 Rigid Ring
Dihedrals
 
Dihedrals Histogram