debug db2 8 mol2 1 smi 75999 FAIL FDEDHN.xaa.db2.gz 9531 FAIL FDEDHN.xab.db2.gz 9373 FAIL FDEDHN.xac.db2.gz 9898 FAIL FDEDHN.xad.db2.gz 9783 FAIL FDEDHN.xae.db2.gz 9834 FAIL FDEDHN.xaf.db2.gz 9746 FAIL FDEDHN.xag.db2.gz 9904 FAIL FDEDHN.xah.db2.gz 73825 numsmi is 75999 FAIL FDEDHN.xaa.mol2.gz 73825 numsmi is 75999