debug db2 33 mol2 4 smi 32109

FAIL DFEDMN.xaa.db2.gz 955

FAIL DFEDMN.xab.db2.gz 941

FAIL DFEDMN.xac.db2.gz 972

FAIL DFEDMN.xad.db2.gz 973

FAIL DFEDMN.xae.db2.gz 938

FAIL DFEDMN.xaf.db2.gz 956

FAIL DFEDMN.xag.db2.gz 970

FAIL DFEDMN.xah.db2.gz 980

FAIL DFEDMN.xai.db2.gz 973

FAIL DFEDMN.xaj.db2.gz 971

FAIL DFEDMN.xak.db2.gz 971

FAIL DFEDMN.xal.db2.gz 961

FAIL DFEDMN.xam.db2.gz 965

FAIL DFEDMN.xan.db2.gz 982

FAIL DFEDMN.xao.db2.gz 973

FAIL DFEDMN.xap.db2.gz 975

FAIL DFEDMN.xaq.db2.gz 965

FAIL DFEDMN.xar.db2.gz 967

FAIL DFEDMN.xas.db2.gz 976

FAIL DFEDMN.xat.db2.gz 969

FAIL DFEDMN.xau.db2.gz 959

FAIL DFEDMN.xav.db2.gz 965

FAIL DFEDMN.xaw.db2.gz 963

FAIL DFEDMN.xax.db2.gz 956

FAIL DFEDMN.xay.db2.gz 977

FAIL DFEDMN.xaz.db2.gz 980

FAIL DFEDMN.xba.db2.gz 969

FAIL DFEDMN.xbb.db2.gz 980

FAIL DFEDMN.xbc.db2.gz 968

FAIL DFEDMN.xbd.db2.gz 968

FAIL DFEDMN.xbe.db2.gz 969

FAIL DFEDMN.xbf.db2.gz 942

FAIL DFEDMN.xbg.db2.gz 31026 numsmi is 32109


FAIL DFEDMN.xaa.mol2.gz 9628 numsmi is 32109

FAIL DFEDMN.xab.mol2.gz 17100 numsmi is 32109

FAIL DFEDMN.xac.mol2.gz 26785 numsmi is 32109
FAIL DFEDMN.xad.mol2.gz 28793 numsmi is 32109