# GMTKN55, subset PCONF21
# Geometries, charges and spins extraced from GMTKN archive
"114": 114.xyz
"215": 215.xyz
"224": 224.xyz
"300": 300.xyz
"357": 357.xyz
"366": 366.xyz
"412": 412.xyz
"444": 444.xyz
"470": 470.xyz
"691": 691.xyz
"99": 99.xyz
"GLY_ab": GLY_ab.xyz
"GLY_aL": GLY_aL.xyz
"GLY_aR": GLY_aR.xyz
"GLY_b": GLY_b.xyz
"GLY_pII": GLY_pII.xyz
"SER_ab": SER_ab.xyz
"SER_aL": SER_aL.xyz
"SER_aR": SER_aR.xyz
"SER_b": SER_b.xyz
"SER_pII": SER_pII.xyz