debug db2 28 mol2 3 smi 278986

FAIL CEEDMO.xaa.db2.gz 8959

FAIL CEEDMO.xab.db2.gz 8906

FAIL CEEDMO.xac.db2.gz 8593

FAIL CEEDMO.xad.db2.gz 8646

FAIL CEEDMO.xae.db2.gz 8508

FAIL CEEDMO.xaf.db2.gz 8864

FAIL CEEDMO.xag.db2.gz 8571

FAIL CEEDMO.xah.db2.gz 8750

FAIL CEEDMO.xai.db2.gz 9002

FAIL CEEDMO.xaj.db2.gz 8728

FAIL CEEDMO.xak.db2.gz 8781

FAIL CEEDMO.xal.db2.gz 8608

FAIL CEEDMO.xam.db2.gz 8081

FAIL CEEDMO.xan.db2.gz 8616

FAIL CEEDMO.xao.db2.gz 8751

FAIL CEEDMO.xap.db2.gz 8752

FAIL CEEDMO.xaq.db2.gz 8694

FAIL CEEDMO.xar.db2.gz 8562

FAIL CEEDMO.xas.db2.gz 8722

FAIL CEEDMO.xat.db2.gz 8877

FAIL CEEDMO.xau.db2.gz 8825

FAIL CEEDMO.xav.db2.gz 8874

FAIL CEEDMO.xaw.db2.gz 8413

FAIL CEEDMO.xax.db2.gz 8465

FAIL CEEDMO.xay.db2.gz 8392

FAIL CEEDMO.xaz.db2.gz 8364

FAIL CEEDMO.xba.db2.gz 8528

FAIL CEEDMO.xbb.db2.gz 241626 numsmi is 278986


FAIL CEEDMO.xaa.mol2.gz 87524 numsmi is 278986

FAIL CEEDMO.xab.mol2.gz 173968 numsmi is 278986
FAIL CEEDMO.xac.mol2.gz 241622 numsmi is 278986