debug db2 46 mol2 5 smi 451980

FAIL DDADHM.xaa.db2.gz 8341

FAIL DDADHM.xab.db2.gz 8726

FAIL DDADHM.xac.db2.gz 8675

FAIL DDADHM.xad.db2.gz 8797

FAIL DDADHM.xae.db2.gz 8827

FAIL DDADHM.xaf.db2.gz 8779

FAIL DDADHM.xag.db2.gz 8773

FAIL DDADHM.xah.db2.gz 8650

FAIL DDADHM.xai.db2.gz 8529

FAIL DDADHM.xaj.db2.gz 8357

FAIL DDADHM.xak.db2.gz 8032

FAIL DDADHM.xal.db2.gz 8242

FAIL DDADHM.xam.db2.gz 8037

FAIL DDADHM.xan.db2.gz 8390

FAIL DDADHM.xao.db2.gz 8177

FAIL DDADHM.xap.db2.gz 8392

FAIL DDADHM.xaq.db2.gz 8718

FAIL DDADHM.xar.db2.gz 8575

FAIL DDADHM.xas.db2.gz 8682

FAIL DDADHM.xat.db2.gz 8387

FAIL DDADHM.xau.db2.gz 8352

FAIL DDADHM.xav.db2.gz 8518

FAIL DDADHM.xaw.db2.gz 8131

FAIL DDADHM.xax.db2.gz 8475

FAIL DDADHM.xay.db2.gz 8353

FAIL DDADHM.xaz.db2.gz 8246

FAIL DDADHM.xba.db2.gz 8411

FAIL DDADHM.xbb.db2.gz 8325

FAIL DDADHM.xbc.db2.gz 8392

FAIL DDADHM.xbd.db2.gz 8418

FAIL DDADHM.xbe.db2.gz 8673

FAIL DDADHM.xbf.db2.gz 8728

FAIL DDADHM.xbg.db2.gz 8511

FAIL DDADHM.xbh.db2.gz 8548

FAIL DDADHM.xbi.db2.gz 8768

FAIL DDADHM.xbj.db2.gz 8616

FAIL DDADHM.xbk.db2.gz 8286

FAIL DDADHM.xbl.db2.gz 7994

FAIL DDADHM.xbm.db2.gz 8599

FAIL DDADHM.xbn.db2.gz 8895

FAIL DDADHM.xbo.db2.gz 8684

FAIL DDADHM.xbp.db2.gz 8933

FAIL DDADHM.xbq.db2.gz 8636

FAIL DDADHM.xbr.db2.gz 8382

FAIL DDADHM.xbs.db2.gz 8476

FAIL DDADHM.xbt.db2.gz 384163 numsmi is 451980


FAIL DDADHM.xaa.mol2.gz 86453 numsmi is 451980

FAIL DDADHM.xab.mol2.gz 170083 numsmi is 451980

FAIL DDADHM.xac.mol2.gz 253699 numsmi is 451980

FAIL DDADHM.xad.mol2.gz 339311 numsmi is 451980
FAIL DDADHM.xae.mol2.gz 384147 numsmi is 451980