debug db2 32 mol2 4 smi 314444

FAIL BFADMO.xaa.db2.gz 8618

FAIL BFADMO.xab.db2.gz 8839

FAIL BFADMO.xac.db2.gz 8881

FAIL BFADMO.xad.db2.gz 8818

FAIL BFADMO.xae.db2.gz 8929

FAIL BFADMO.xaf.db2.gz 8810

FAIL BFADMO.xag.db2.gz 8836

FAIL BFADMO.xah.db2.gz 8890

FAIL BFADMO.xai.db2.gz 8768

FAIL BFADMO.xaj.db2.gz 8760

FAIL BFADMO.xak.db2.gz 8788

FAIL BFADMO.xal.db2.gz 8866

FAIL BFADMO.xam.db2.gz 8713

FAIL BFADMO.xan.db2.gz 8805

FAIL BFADMO.xao.db2.gz 8951

FAIL BFADMO.xap.db2.gz 8759

FAIL BFADMO.xaq.db2.gz 8837

FAIL BFADMO.xar.db2.gz 8946

FAIL BFADMO.xas.db2.gz 8865

FAIL BFADMO.xat.db2.gz 8817

FAIL BFADMO.xau.db2.gz 8709

FAIL BFADMO.xav.db2.gz 8672

FAIL BFADMO.xaw.db2.gz 8768

FAIL BFADMO.xax.db2.gz 8730

FAIL BFADMO.xay.db2.gz 8788

FAIL BFADMO.xaz.db2.gz 8883

FAIL BFADMO.xba.db2.gz 8820

FAIL BFADMO.xbb.db2.gz 8900

FAIL BFADMO.xbc.db2.gz 8969

FAIL BFADMO.xbd.db2.gz 8894

FAIL BFADMO.xbe.db2.gz 8849

FAIL BFADMO.xbf.db2.gz 277366 numsmi is 314444


FAIL BFADMO.xaa.mol2.gz 88145 numsmi is 314444

FAIL BFADMO.xab.mol2.gz 176488 numsmi is 314444

FAIL BFADMO.xac.mol2.gz 264618 numsmi is 314444
FAIL BFADMO.xad.mol2.gz 277355 numsmi is 314444