软件
Avogadro
https://avogadro.cc/
Vesta
https://jp-minerals.org/vesta/en/
数据库
https://pubchem.ncbi.nlm.nih.gov/
Find a chemical by Cas No., 2d sdf file.
use this to convert to 2D .pdb file.
Use Avogadro to open .pdb file, can save as .xyz file.
Vesta can open .xyz file.