debug db2 7 mol2 1 smi 65578

FAIL BCADLP.xaa.db2.gz 6038

FAIL BCADLP.xab.db2.gz 6051

FAIL BCADLP.xac.db2.gz 6127

FAIL BCADLP.xad.db2.gz 6348

FAIL BCADLP.xae.db2.gz 6282

FAIL BCADLP.xaf.db2.gz 6229

FAIL BCADLP.xag.db2.gz 40713 numsmi is 65578

FAIL BCADLP.xaa.mol2.gz 40712 numsmi is 65578