File: subst1.mol

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file content (13 lines) | stat: -rw-r--r-- 449 bytes parent folder | download | duplicates (10)
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  -ISIS-  08070713502D

  4  3  0  0  0  0  0  0  0  0999 V2000
   -0.2208   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4936   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -2.3125    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
    0.4936   -1.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
M  SUB  1   2   3
M  END