debug db2 3 mol2 1 smi 20714

FAIL DEBDHN.xaa.db2.gz 9829

FAIL DEBDHN.xab.db2.gz 9646

FAIL DEBDHN.xac.db2.gz 20174 numsmi is 20714

FAIL DEBDHN.xaa.mol2.gz 20174 numsmi is 20714