YMQ0454
     RDKit          3D

 48 51  0  0  1  0  0  0  0  0999 V2000
   11.0269   -0.2906    2.0425 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.2440   -1.1172    2.8839 C   0  0  0  0  0  3  0  0  0  0  0  0
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    9.6228   -2.3806    2.5090 C   0  0  0  0  0  2  0  0  0  0  0  0
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    5.9261   -0.9483    0.0750 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.7797    0.8900   -0.8901 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.4574    0.2633   -0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    1.8517   -0.7928 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.8334    4.1691   -1.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    1.1792   -0.9101 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0203    0.5486   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    2.1743   -0.9817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3617    3.4089   -1.5467 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0646   -0.4682   -0.4872 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.2855    1.0936   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5554   -0.0250    0.7336 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.5183   -0.2353    1.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8050    0.5454    1.2230 O   0  0  0  0  0  1  0  0  0  0  0  0
    8.2810   -2.5953    2.3171 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9620   -3.2063   -0.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281   -2.8100    0.6727 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7946    5.6088   -1.6212 N   0  0  0  0  0  1  0  0  0  0  0  0
    1.9537    3.5659   -1.1955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9369    2.4811   -3.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8514    0.7637   -2.4763 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2433   -1.9996    2.5453 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2770    0.1862    0.4339 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8803   -0.3787    2.4307 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.9753   -3.2590    3.3121 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1870   -0.1417    0.1183 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6462   -3.6589    0.6734 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3297   -0.3427    2.7283 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1 34  1  0
  2  3  1  0
  2  4  1  0
  3 35  1  0
  4 35  1  0
  5  6  2  0
  5  7  1  0
  5 37  1  0
  6  8  1  0
  7  9  2  0
  8 12  2  0
  9 12  1  0
  9 13  1  0
 10 13  2  0
 10 14  1  0
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 11 39  2  0
 13 16  1  0
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 15 18  1  0
 16 19  2  0
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 17 20  1  0
 18 20  2  0
 18 21  1  0
 21 40  2  0
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 22 24  1  0
 22 41  1  0
 23 25  1  0
 23 41  1  0
 24 26  1  0
 25 27  1  0
 27 42  1  0
 28 30  1  0
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 29 32  1  0
 29 33  1  0
 30 42  1  0
 30 45  2  0
 31 43  1  0
 32 43  1  0
 33 44  1  0
 33 46  2  0
 35 37  1  0
 36 37  2  0
 37 47  2  0
 48 44  1  0
M  RAD  8   1   3   2   2   3   3   4   3   6   2   7   2   8   2  10   2
M  RAD  8  12   2  15   3  16   2  19   2  20   2  22   3  23   3  24   3
M  RAD  8  25   3  26   2  27   3  28   3  29   3  31   3  32   3  34   2
M  RAD  4  38   3  42   2  44   2  48   2
M  END
$$$$
