debug db2 11 mol2 2 smi 109498

FAIL CEEDMN.xaa.db2.gz 9736

FAIL CEEDMN.xab.db2.gz 9773

FAIL CEEDMN.xac.db2.gz 9758

FAIL CEEDMN.xad.db2.gz 9716

FAIL CEEDMN.xae.db2.gz 9760

FAIL CEEDMN.xaf.db2.gz 9682

FAIL CEEDMN.xag.db2.gz 9640

FAIL CEEDMN.xah.db2.gz 9735

FAIL CEEDMN.xai.db2.gz 9657

FAIL CEEDMN.xaj.db2.gz 9731

FAIL CEEDMN.xak.db2.gz 106411 numsmi is 109498


FAIL CEEDMN.xaa.mol2.gz 97188 numsmi is 109498
FAIL CEEDMN.xab.mol2.gz 106411 numsmi is 109498