debug db2 12 mol2 2 smi 11737

FAIL DFEDHM.xaa.db2.gz 857

FAIL DFEDHM.xab.db2.gz 835

FAIL DFEDHM.xac.db2.gz 805

FAIL DFEDHM.xad.db2.gz 821

FAIL DFEDHM.xae.db2.gz 790

FAIL DFEDHM.xaf.db2.gz 822

FAIL DFEDHM.xag.db2.gz 781

FAIL DFEDHM.xah.db2.gz 808

FAIL DFEDHM.xai.db2.gz 853

FAIL DFEDHM.xaj.db2.gz 873

FAIL DFEDHM.xak.db2.gz 769

FAIL DFEDHM.xal.db2.gz 9616 numsmi is 11737


FAIL DFEDHM.xaa.mol2.gz 8242 numsmi is 11737
FAIL DFEDHM.xab.mol2.gz 9611 numsmi is 11737