XYZ MOL
File conversion

Convert XYZ to MOL

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Is it possible to convert XYZ to MOL?
Yes - XYZ converts to MOL.

The key conversion when you need bonds: XYZ has only coordinates, so a converter perceives bonds from interatomic distances and writes MOL/SDF. Open Babel and Avogadro do this directly.

Also to MOL: CAR

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Tested on macOS, Windows & Linux
Last verified Oct 2026

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How to convert XYZ to MOL

Converting a .XYZ file to .MOL lets you open the content in software that prefers the .MOL format, though some details may change compared with the original. We are still putting together the list of programs that handle .XYZ files.

A full step-by-step guide for this conversion is on the way; the information above is drawn straight from our database.

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