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4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide(U55) Summary

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  • 4-[(6-amino-4-pyrimidinyl)amino]benzenesulfonamide(U55) Summary
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Molecule Trajectories PCA Clusters Dihedrals QM
Dihedrals Table
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Dih. Atom names Experimental Type
1 N17.1-C11.2-N12.3-C13.43-2-1-0 N17.4-C11.3-N12.2-C13.1 175.426 Rigid
2 N17.1-C11.2-C16.6-C15.76-5-1-0 N17.7-C11.6-C16.2-C15.1 178.806 Rigid
3 C11.2-N12.3-C13.4-N14.54-3-2-1 C11.5-N12.4-C13.3-N14.2 7.841 Rigid Ring
4 C11.2-C16.6-C15.7-N14.54-6-5-1 C11.5-C16.7-C15.6-N14.2 4.488 Rigid Ring
5 C11.2-C16.6-C15.7-N18.87-6-5-1 C11.8-C16.7-C15.6-N18.2 -173.162 Rigid
6 N12.3-C11.2-C16.6-C15.76-5-1-2 N12.7-C11.6-C16.2-C15.3 -3.382 Rigid Ring
7 N12.3-C13.4-N14.5-C15.76-4-3-2 N12.7-C13.5-N14.4-C15.3 -6.797 Rigid Ring
8 C13.4-N12.3-C11.2-C16.65-1-2-3 C13.6-N12.2-C11.3-C16.4 -2.473 Rigid Ring
9 C13.4-N14.5-C15.7-C16.65-6-4-3 C13.6-N14.7-C15.5-C16.4 0.392 Rigid Ring
10 C13.4-N14.5-C15.7-N18.87-6-4-3 C13.8-N14.7-C15.5-N18.4 178.213 Rigid
11 N14.5-C15.7-N18.8-C01.98-7-6-4 N14.9-C15.8-N18.7-C01.5 157.813 Flexible
12 C16.6-C15.7-N18.8-C01.98-7-6-5 C16.9-C15.8-N18.7-C01.6 -24.494 Flexible
13 C15.7-N18.8-C01.9-C06.109-8-7-6 C15.10-N18.9-C01.8-C06.7 167.967 Flexible
14 C15.7-N18.8-C01.9-C02.1211-8-7-6 C15.12-N18.9-C01.8-C02.7 -13.332 Flexible
15 N18.8-C01.9-C06.10-C05.1110-9-8-7 N18.11-C01.10-C06.9-C05.8 -176.435 Rigid
16 N18.8-C01.9-C02.12-C03.1312-11-8-7 N18.13-C01.12-C02.9-C03.8 175.439 Rigid
17 C01.9-C06.10-C05.11-C04.1413-10-9-8 C01.14-C06.11-C05.10-C04.9 -1.637 Rigid Ring
18 C01.9-C02.12-C03.13-C04.1413-12-11-8 C01.14-C02.13-C03.12-C04.9 3.681 Rigid Ring
19 C06.10-C01.9-C02.12-C03.1312-11-8-9 C06.13-C01.12-C02.9-C03.10 -5.833 Rigid Ring
20 C06.10-C05.11-C04.14-C03.1312-13-10-9 C06.13-C05.14-C04.11-C03.10 -0.648 Rigid Ring
21 C06.10-C05.11-C04.14-S07.1514-13-10-9 C06.15-C05.14-C04.11-S07.10 -167.394 Rigid
22 C05.11-C06.10-C01.9-C02.1211-8-9-10 C05.12-C06.9-C01.10-C02.11 4.829 Rigid Ring
23 C05.11-C04.14-C03.13-C02.1211-12-13-10 C05.12-C04.13-C03.14-C02.11 -0.362 Rigid Ring
24 C05.11-C04.14-S07.15-O08.1615-14-13-10 C05.16-C04.15-S07.14-O08.11 104.08 Flexible
25 C05.11-C04.14-S07.15-O09.1716-14-13-10 C05.17-C04.15-S07.14-O09.11 -12.415 Flexible
26 C05.11-C04.14-S07.15-N10.1817-14-13-10 C05.18-C04.15-S07.14-N10.11 -130.769 Flexible
27 C02.12-C03.13-C04.14-S07.1514-13-12-11 C02.15-C03.14-C04.13-S07.12 166.236 Rigid
28 C03.13-C04.14-S07.15-O08.1615-14-13-12 C03.16-C04.15-S07.14-O08.13 -62.554 Flexible
29 C03.13-C04.14-S07.15-O09.1716-14-13-12 C03.17-C04.15-S07.14-O09.13 -179.049 Flexible
30 C03.13-C04.14-S07.15-N10.1817-14-13-12 C03.18-C04.15-S07.14-N10.13 62.597 Flexible
Dihedrals
 
Dihedrals Histogram
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