File: Issue3432136_1.mol

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  Mrv0540 11021106412D          

  5  4  0  0  0  0            999 V2000
   -3.4179    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034    0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9889    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7034    1.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2744    0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  STY  1   1 MON
M  SAL   1  5   2   3   4   1   5
M  SDI   1  4   -3.9679   -0.1670   -3.9679    2.1705
M  SDI   1  4   -0.7244    2.1705   -0.7244   -0.1670
M  END