BA9L5R
  -OEChem-04012112033D

 18 18  0     0  0  0  0  0  0999 V2000
    4.5475    0.6203    0.0005 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5204    0.2330   -0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064   -0.8699    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4863    0.9492   -1.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4867    0.9497    1.2619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9338   -0.7400   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0126   -0.5344    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3904    0.8082    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865   -1.5331    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7422    1.1523   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3383   -1.1891   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7162    0.1537   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3140    1.6317    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6979   -2.5807    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208    2.2030   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0845   -1.9795   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1197   -1.2805    0.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1193   -1.2810   -0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
M  END

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