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Marvin imports and exports XYZ molecule files that have the following format:
[ # optional comment line ] not written but allowed at import
[ N ] always written, but can be omitted in imported files
[ name\tE ] always written, but can be omitted in imported files
atom1 x y z
atom2 x y z
atomN x y z
where N is the number of atoms and E is the energy (optional). If energy is set for the molecule, then it is separated from the molecule name with a TAB ("\t") character.
Restrictions of the XYZ format:
Do not export 2D drawings in XYZ!
XYZ export in Marvin is only meaningful for 3D molecules with realistic atomic distances.
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