debug db2 15 mol2 2 smi 146908

FAIL BDEDMO.xaa.db2.gz 8519

FAIL BDEDMO.xab.db2.gz 8590

FAIL BDEDMO.xac.db2.gz 8474

FAIL BDEDMO.xad.db2.gz 8517

FAIL BDEDMO.xae.db2.gz 8401

FAIL BDEDMO.xaf.db2.gz 8452

FAIL BDEDMO.xag.db2.gz 8423

FAIL BDEDMO.xah.db2.gz 8473

FAIL BDEDMO.xai.db2.gz 8502

FAIL BDEDMO.xaj.db2.gz 8528

FAIL BDEDMO.xak.db2.gz 8472

FAIL BDEDMO.xal.db2.gz 8458

FAIL BDEDMO.xam.db2.gz 8606

FAIL BDEDMO.xan.db2.gz 8451

FAIL BDEDMO.xao.db2.gz 124793 numsmi is 146908


FAIL BDEDMO.xaa.mol2.gz 84879 numsmi is 146908
FAIL BDEDMO.xab.mol2.gz 124792 numsmi is 146908