The previously obtained bond multiplicities allow to calculate the number of hydrogens to add to each atom. But to calculate the positions of the new hydrogen atoms, we need to know the hybridization state, including on terminal atoms. Earlier in Sec. , only hybridization states on non-terminal atoms were determined. The method for determination of the hybridization states on terminal atoms from the Openbabel toolkit was implemented. Newly added hydrogens are located at a distance equal to the sum of the covalent radii of hydrogen and the heavy atom to which they are added. The position of the hydrogen on a sphere is calculated according to the number of explicit bonds and the hybridisation of the heavy atom.