File: unsanitized_stereo.mol

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file content (18 lines) | stat: -rw-r--r-- 704 bytes parent folder | download | duplicates (8)
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  Mrv0541 10021405422D          

  7  6  0  0  0  0            999 V2000
   -1.6353    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8103    1.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2186    2.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2269    1.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2269    0.2711    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5981    1.0961    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565    0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  1  0  0  0
M  END