debug db2 17 mol2 2 smi 16834

FAIL DFBDHN.xaa.db2.gz 981
DFBDHN.xab.db2.gz DFBDHN.xac.db2.gz 
FAIL DFBDHN.xad.db2.gz 981

FAIL DFBDHN.xae.db2.gz 997

FAIL DFBDHN.xaf.db2.gz 998

FAIL DFBDHN.xag.db2.gz 999

FAIL DFBDHN.xah.db2.gz 986

FAIL DFBDHN.xai.db2.gz 990

FAIL DFBDHN.xaj.db2.gz 995

FAIL DFBDHN.xak.db2.gz 996

FAIL DFBDHN.xal.db2.gz 997

FAIL DFBDHN.xam.db2.gz 997

FAIL DFBDHN.xan.db2.gz 996
DFBDHN.xao.db2.gz 
FAIL DFBDHN.xap.db2.gz 983

FAIL DFBDHN.xaq.db2.gz 16707 numsmi is 16834


FAIL DFBDHN.xaa.mol2.gz 9927 numsmi is 16834
FAIL DFBDHN.xab.mol2.gz 16707 numsmi is 16834