debug db2 60 mol2 6 smi 592987

FAIL DEEDMO.xaa.db2.gz 8448

FAIL DEEDMO.xab.db2.gz 8499

FAIL DEEDMO.xac.db2.gz 8488

FAIL DEEDMO.xad.db2.gz 8594

FAIL DEEDMO.xae.db2.gz 8549

FAIL DEEDMO.xaf.db2.gz 8358

FAIL DEEDMO.xag.db2.gz 8340

FAIL DEEDMO.xah.db2.gz 8374

FAIL DEEDMO.xai.db2.gz 8380

FAIL DEEDMO.xaj.db2.gz 8313

FAIL DEEDMO.xak.db2.gz 8462

FAIL DEEDMO.xal.db2.gz 8326

FAIL DEEDMO.xam.db2.gz 8499

FAIL DEEDMO.xan.db2.gz 8510

FAIL DEEDMO.xao.db2.gz 8362

FAIL DEEDMO.xap.db2.gz 8231

FAIL DEEDMO.xaq.db2.gz 8337

FAIL DEEDMO.xar.db2.gz 8357

FAIL DEEDMO.xas.db2.gz 8390

FAIL DEEDMO.xat.db2.gz 8599

FAIL DEEDMO.xau.db2.gz 8539

FAIL DEEDMO.xav.db2.gz 8575

FAIL DEEDMO.xaw.db2.gz 8409

FAIL DEEDMO.xax.db2.gz 8600

FAIL DEEDMO.xay.db2.gz 8620

FAIL DEEDMO.xaz.db2.gz 8661

FAIL DEEDMO.xba.db2.gz 8702

FAIL DEEDMO.xbb.db2.gz 8599

FAIL DEEDMO.xbc.db2.gz 8466

FAIL DEEDMO.xbd.db2.gz 8554

FAIL DEEDMO.xbe.db2.gz 8582

FAIL DEEDMO.xbf.db2.gz 8670

FAIL DEEDMO.xbg.db2.gz 8538

FAIL DEEDMO.xbh.db2.gz 8498

FAIL DEEDMO.xbi.db2.gz 8485

FAIL DEEDMO.xbj.db2.gz 8504

FAIL DEEDMO.xbk.db2.gz 8636

FAIL DEEDMO.xbl.db2.gz 8580

FAIL DEEDMO.xbm.db2.gz 8614

FAIL DEEDMO.xbn.db2.gz 8682

FAIL DEEDMO.xbo.db2.gz 8594

FAIL DEEDMO.xbp.db2.gz 8564

FAIL DEEDMO.xbq.db2.gz 8565

FAIL DEEDMO.xbr.db2.gz 8648

FAIL DEEDMO.xbs.db2.gz 8638

FAIL DEEDMO.xbt.db2.gz 8644

FAIL DEEDMO.xbu.db2.gz 8466

FAIL DEEDMO.xbv.db2.gz 8535

FAIL DEEDMO.xbw.db2.gz 8428

FAIL DEEDMO.xbx.db2.gz 8332

FAIL DEEDMO.xby.db2.gz 8584

FAIL DEEDMO.xbz.db2.gz 8681

FAIL DEEDMO.xca.db2.gz 8431

FAIL DEEDMO.xcb.db2.gz 8235

FAIL DEEDMO.xcc.db2.gz 8283

FAIL DEEDMO.xcd.db2.gz 8464

FAIL DEEDMO.xce.db2.gz 8431

FAIL DEEDMO.xcf.db2.gz 8523

FAIL DEEDMO.xcg.db2.gz 8338

FAIL DEEDMO.xch.db2.gz 503820 numsmi is 592987


FAIL DEEDMO.xaa.mol2.gz 84338 numsmi is 592987

FAIL DEEDMO.xab.mol2.gz 168406 numsmi is 592987

FAIL DEEDMO.xac.mol2.gz 254125 numsmi is 592987

FAIL DEEDMO.xad.mol2.gz 339909 numsmi is 592987

FAIL DEEDMO.xae.mol2.gz 425316 numsmi is 592987
FAIL DEEDMO.xaf.mol2.gz 503781 numsmi is 592987