SCSD for refcode 2pps_CLA_A2006_ retrieved from the CLA_pdb dataset using D_2h symmetry

Table 1; SCSD parameters derived from the atom positions

Symm	Sum (SCSD, Å)	PCA Err	PCA (1)	PCA (2)
Ag	0.92	0.59	-0.00	0.66
B1g	0.49	0.39	-0.35	-0.13
B2g	0.11	0.03	0.11	0.06
B3g	0.17	0.08	0.15	0.03
Au	0.07	0.07	0.05	-0.01
B1u	0.73	0.59	0.67	-0.30
B2u	0.60	0.24	0.52	-0.11
B3u	0.60	0.26	0.48	-0.05

Figure 1; Neoplastic representation of the SCSD parameters

Figure 2; Atom positions and symmetric decomposition modes

Table 2; Most similar in precalculated databases