File: v3k.4b.mol

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rdkit 201403-1
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file content (15 lines) | stat: -rw-r--r-- 290 bytes parent folder | download | duplicates (8)
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  Marvin  06050906242D          

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 2 1 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.7476 -1.4581 0 0
M  V30 2 O 1.6627 -0.2009 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2 TOPO=2
M  V30 END BOND
M  V30 END CTAB
M  END