debug db2 4 mol2 1 smi 39213

FAIL HHADHM.xaa.db2.gz 9723

FAIL HHADHM.xab.db2.gz 9709

FAIL HHADHM.xac.db2.gz 9827

FAIL HHADHM.xad.db2.gz 38062 numsmi is 39213

FAIL HHADHM.xaa.mol2.gz 38061 numsmi is 39213