File: Issue1965035.mol

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7250053
  Marvin  05160806062D          

  6  6  0  0  1  0            999 V2000
   13.6592   -0.2530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3591   -0.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1192   -0.8767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4293    0.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6831   -1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2328    0.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  6  0  0  0
  4  6  1  0  0  0  0
M  END