comparison test-data/std_molblock.mol @ 6:a57de37f12c2 draft

"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e"

6:a57de37f12c2

     RDKit          2D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -2.5038    0.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5038    1.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2182   -0.0065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7893   -0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  1  4  1  0
M  END