debug db2 8 mol2 1 smi 77249

FAIL BDADHM.xaa.db2.gz 8769

FAIL BDADHM.xab.db2.gz 8751

FAIL BDADHM.xac.db2.gz 8823

FAIL BDADHM.xad.db2.gz 8690

FAIL BDADHM.xae.db2.gz 8796

FAIL BDADHM.xaf.db2.gz 8913

FAIL BDADHM.xag.db2.gz 9088

FAIL BDADHM.xah.db2.gz 68134 numsmi is 77249

FAIL BDADHM.xaa.mol2.gz 68131 numsmi is 77249