debug db2 8 mol2 1 smi 79321

FAIL BDEDHN.xaa.db2.gz 9970

FAIL BDEDHN.xab.db2.gz 9942

FAIL BDEDHN.xac.db2.gz 9948

FAIL BDEDHN.xad.db2.gz 9948

FAIL BDEDHN.xae.db2.gz 9937

FAIL BDEDHN.xaf.db2.gz 9923

FAIL BDEDHN.xag.db2.gz 9945

FAIL BDEDHN.xah.db2.gz 78876 numsmi is 79321

FAIL BDEDHN.xaa.mol2.gz 78876 numsmi is 79321