| Filetype | File Suffix | 
|---|---|
| Alchemy file | alc | 
| Amber PREP file | prep | 
| Ball & Stick file | bs | 
| Cacao Cartesian file | caccrt | 
| CCC file | ccc | 
| Dock 3.5 Box file | box | 
| DMol3 Coordinates file | dmol | 
| Feature File | feat | 
| DMol3 Coordinates file | dmol | 
| Feature fIle | feat | 
| GAMESS Output File | gam gamout | 
| Feature fIle | feat | 
| HyperChem HIN file | hin | 
| Jaguar Output file | jout | 
| OpenEye Binary file | bin | 
| MacroModel File | mmd mmod out dat | 
| MSI Biosim/Insight II CAR file | car | 
| MDL Isis SDF file | sdf sd | 
| MDL Molfile file | mdl mol | 
| MOPAC Cartensian file | mopcrt | 
| MOPAC Output file | mopout | 
| MPQC file | mpqc | 
| MSI BGF file | bgf | 
| NWChem Output file | nwo | 
| PDB file | pdb | 
| QChem Output file | qout | 
| SMILES file | smi | 
| Sybyl Mol2 file | mol2 | 
| UniChem XYZ file | unixyz | 
| ViewMol file | vmol | 
| XYZ file | xyz | 
| Filetype | File Suffix | 
|---|---|
| Alchemy file | alc | 
| Ball & Stick file | bs | 
| Cacao Cartesian file | caccrt | 
| Cacao Internal file | caccint | 
| CAChe MolStruct file | cache | 
| ChemDraw Connection Table file | ct | 
| CSD CSSR file | cssr | 
| Dock 3.5 Box file | box | 
| DMol3 Coordinates file | dmol | 
| Feature File | feat | 
| Fenske-Hall Z-Matrix file | fh | 
| GAMESS Input File | gam gamint inp | 
| Gaussian Cartensian file | gcart | 
| Gaussian Input file | gau | 
| GROMOS96 (A) file | gr96A | 
| GROMOS96 (nm) file | gr96N | 
| HyperChem HIN file | hin | 
| Jaguar Input file | jin | 
| OpenEye Binary file | bin | 
| MacroModel File | mmd mmod out dat | 
| MDL Isis SDF file | sdf sd | 
| MDL Molfile file | mdl mol | 
| MOPAC Cartensian file | mopcrt | 
| MSI BGF file | bgf | 
| MSI Quanta CSR file | csr | 
| NWChem Input file | nw | 
| PDB file | pdb | 
| Report file | report | 
| QChem Input file | qcin | 
| SMILES file | smi | 
| SMILES Fix file | fix | 
| Sybyl Mol2 file | mol2 | 
| Tinker XYZ file | txyz | 
| Titles file | txt | 
| UniChem XYZ file | unixyz | 
| ViewMol file | vmol | 
| XED file | xed | 
| XYZ file | xyz |