Table 1.

Identification of principal conformers by RCPCA with the entry 29 (an example) after limiting the explanation coverage to 80%

Conformer Id	Factor 1	Factor 2	Factor 3	Factor 4
(Cumulative explanatory power)	49.4%	66.0%	74.4%	81.7%
1	0.166	−0.107	−0.040	−0.012
…	…	…	…	…
16	0.246	−0.448	−0.673	0.396
17	−0.179	−0.028	−0.014	0.014
18	0.073	0.136	−0.156	−0.171
…	…	…	…	…
23	0.053	0.467	−0.236	0.032
24	0.173	0.004	0.081	0.084
25	0.166	0.008	0.033	0.034
…	…	…	…	…
34	−0.120	0.282	0.051	0.433
35	0.198	0.163	−0.012	−0.043
36	−0.002	0.010	0.287	0.271
37	−0.182	−0.068	−0.145	−0.087
38	0.203	0.063	0.021	−0.018
…	…	…	…	…