debug db2 6 mol2 1 smi 50562

FAIL CFADMM.xaa.db2.gz 9526

FAIL CFADMM.xab.db2.gz 9755

FAIL CFADMM.xac.db2.gz 9611

FAIL CFADMM.xad.db2.gz 9795

FAIL CFADMM.xae.db2.gz 9638

FAIL CFADMM.xaf.db2.gz 48883 numsmi is 50562

FAIL CFADMM.xaa.mol2.gz 48883 numsmi is 50562