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-INDIGO-11162310432D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 1 0 0 0 0
M V30 BEGIN ATOM
M V30 1 C 12.6787 -6.78347 0.0 0 CHG=2 INVRET=2 UNSAT=1 SUBST=-1 RBCNT=-2
M V30 END ATOM
M V30 BEGIN BOND
M V30 END BOND
M V30 END CTAB
M END
Expected behavior
Valence (VAL=1) is present in output molfile
Actual behavior
Valence is missing, despite being present in ket-file
Additional context
This behaviour also appears for .rxn files
The text was updated successfully, but these errors were encountered:
Steps to Reproduce
Expected behavior
Valence (
VAL=1
) is present in output molfileActual behavior
Valence is missing, despite being present in ket-file
Additional context
This behaviour also appears for .rxn files
The text was updated successfully, but these errors were encountered: