debug db2 10 mol2 1 smi 98200

FAIL GHADLP.xaa.db2.gz 5881

FAIL GHADLP.xab.db2.gz 5649

FAIL GHADLP.xac.db2.gz 5769

FAIL GHADLP.xad.db2.gz 5865

FAIL GHADLP.xae.db2.gz 5886

FAIL GHADLP.xaf.db2.gz 5746

FAIL GHADLP.xag.db2.gz 5903

FAIL GHADLP.xah.db2.gz 5816

FAIL GHADLP.xai.db2.gz 5791

FAIL GHADLP.xaj.db2.gz 57091 numsmi is 98200

FAIL GHADLP.xaa.mol2.gz 57086 numsmi is 98200