For the non-periodic system, we chose subsets of the QM9 database. QM9 reports equilibrium structures and energies for 134k molecules. Here, we selected all C 4 H 10 O and C 6 H 14 O isomers as training examples (resulting in 39 datapoints of equilibrium structures). As target structures, C 5 H 12 O isomers were chosen. We thus generate structures at different stoichiometries as the training data, namely generating the coordinates for five carbon, twelve hydrogen and one oxygen atoms, each. Importantly, we only use the structural information in QM9, and not the energies or other target properties. In QM9, 14 stable C 5 H 12 O isomers are recorded, which we aim to recover using LoGAN by comparing the SMILES strings of the true structures to the generated structures after geometry relaxation.