B3JA4D
  -OEChem-04012115413D

 21 22  0     0  0  0  0  0  0999 V2000
    4.1561   -2.1502    0.5510 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2388   -0.2647    0.2822 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5956   -0.6472   -1.5858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6904    0.3838    0.9909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8713   -0.6241   -1.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    0.3687   -0.5366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4226    0.2839    0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3016    0.7034    1.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0612    0.5870    0.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5196   -0.3852   -0.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5968   -0.1693    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8235   -0.5486    0.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    1.6137   -0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963   -0.6083    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8707    1.4572   -0.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3476    1.1824    2.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9223    0.7994    1.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793   -1.0736   -1.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4294   -1.3607    1.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225    2.5145   -0.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3269    2.2288   -1.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 11  2  0  0  0  0
  3 10  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END

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