A1JIA
  CCTOOLS-0522260957

 27 29  0  0  1  0  0  0  0  0999 V2000
   -3.0100   -0.7680   -0.3200 C   0  0  0  0  0
   -2.4570    0.5230    0.0780 C   0  0  0  0  0
   -2.3090    1.1710    1.3930 C   0  0  0  0  0
   -1.4640    2.2000    1.4670 C   0  0  0  0  0
   -2.0420    1.1350   -1.0720 C   0  0  0  0  0
   -4.0680   -2.9420    0.0220 O   0  0  0  0  0
   -3.5930   -1.7980    0.5530 C   0  0  0  0  0
   -2.8750   -0.8110   -1.6820 C   0  0  0  0  0
   -2.3000    0.3270   -2.0970 O   0  0  0  0  0
   -0.6630    2.6680    0.2890 C   0  0  0  0  0
    0.6180    1.8770    0.2270 C   0  0  0  0  0
    1.8450    2.3950    0.2950 C   0  0  0  0  0
    2.8740    1.4710    0.2170 C   0  0  0  0  0
    2.4800    0.2020    0.0850 C   0  0  0  0  0
    3.6360   -1.2890   -0.0480 BR  0  0  0  0  0
    0.7230    0.1290    0.0620 S   0  0  0  0  0
   -1.4090    2.5030   -1.0360 C   0  0  0  0  0
   -3.6460   -1.6170    1.7540 O   0  0  0  0  0
   -2.8600    0.8290    2.2560 H   0  0  0  0  0
   -1.3530    2.7150    2.4090 H   0  0  0  0  0
   -4.4420   -3.5890    0.6360 H   0  0  0  0  0
   -3.1820   -1.6280   -2.3180 H   0  0  0  0  0
   -0.4190    3.7210    0.4250 H   0  0  0  0  0
    2.0230    3.4540    0.4020 H   0  0  0  0  0
    3.9150    1.7550    0.2590 H   0  0  0  0  0
   -0.7080    2.6040   -1.8650 H   0  0  0  0  0
   -2.1840    3.2660   -1.1160 H   0  0  0  0  0
  1  8  2  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  2  5  2  0  0  0
  3  4  2  0  0  0
  3 19  1  0  0  0
  4 10  1  0  0  0
  4 20  1  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  1  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9  5  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
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 13 25  1  0  0  0
 14 15  1  0  0  0
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 17 10  1  0  0  0
 17 26  1  0  0  0
 17 27  1  0  0  0
 18  7  2  0  0  0
M  END
$$$$
