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Revert "Update main.cpp . CLASSIFY LIGANDS WITH 160-300 ATOMS IN MaxGroup" #120

Revert "Update main.cpp . CLASSIFY LIGANDS WITH 160-300 ATOMS IN MaxGroup"

Revert "Update main.cpp . CLASSIFY LIGANDS WITH 160-300 ATOMS IN MaxGroup" #120

flake8

succeeded Mar 10, 2025 in 12s