https://github.com/ci-lab-cz/crem-dock-ga/blob/6fa7f22499caa75eb35c7952455b791f0f88ffcb/molecules.py#L207
https://github.com/ci-lab-cz/crem-dock-ga/blob/6fa7f22499caa75eb35c7952455b791f0f88ffcb/molecules.py#L207