debug db2 38 mol2 4 smi 375449

FAIL ECADHM.xaa.db2.gz 7545

FAIL ECADHM.xab.db2.gz 7880

FAIL ECADHM.xac.db2.gz 7677

FAIL ECADHM.xad.db2.gz 8636

FAIL ECADHM.xae.db2.gz 9549

FAIL ECADHM.xaf.db2.gz 9453

FAIL ECADHM.xag.db2.gz 9679

FAIL ECADHM.xah.db2.gz 9309

FAIL ECADHM.xai.db2.gz 9525

FAIL ECADHM.xaj.db2.gz 9427

FAIL ECADHM.xak.db2.gz 9290

FAIL ECADHM.xal.db2.gz 9578

FAIL ECADHM.xam.db2.gz 9661

FAIL ECADHM.xan.db2.gz 9550

FAIL ECADHM.xao.db2.gz 9189

FAIL ECADHM.xap.db2.gz 8554

FAIL ECADHM.xaq.db2.gz 8612

FAIL ECADHM.xar.db2.gz 8081

FAIL ECADHM.xas.db2.gz 8525

FAIL ECADHM.xat.db2.gz 8417

FAIL ECADHM.xau.db2.gz 8302

FAIL ECADHM.xav.db2.gz 8873

FAIL ECADHM.xaw.db2.gz 8419

FAIL ECADHM.xax.db2.gz 7276

FAIL ECADHM.xay.db2.gz 8313

FAIL ECADHM.xaz.db2.gz 8419

FAIL ECADHM.xba.db2.gz 8622

FAIL ECADHM.xbb.db2.gz 8503

FAIL ECADHM.xbc.db2.gz 8968

FAIL ECADHM.xbd.db2.gz 9637

FAIL ECADHM.xbe.db2.gz 9720

FAIL ECADHM.xbf.db2.gz 9218

FAIL ECADHM.xbg.db2.gz 8883

FAIL ECADHM.xbh.db2.gz 8553

FAIL ECADHM.xbi.db2.gz 8457

FAIL ECADHM.xbj.db2.gz 8814

FAIL ECADHM.xbk.db2.gz 8710

FAIL ECADHM.xbl.db2.gz 330153 numsmi is 375449


FAIL ECADHM.xaa.mol2.gz 88677 numsmi is 375449

FAIL ECADHM.xab.mol2.gz 178133 numsmi is 375449

FAIL ECADHM.xac.mol2.gz 181670 numsmi is 375449
FAIL ECADHM.xad.mol2.gz 248350 numsmi is 375449