TJLLIN0097
     RDKit          3D

 47 49  0  0  1  0  0  0  0  0999 V2000
   -2.6556    6.4313   -0.9921 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.4500    4.5817    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7111    3.6394    1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3150    3.0538    2.2349 C   0  0  0  0  0  3  0  0  0  0  0  0
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   -1.5034   -4.2654    3.4255 C   0  0  0  0  0  3  0  0  0  0  0  0
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    0.2545   -1.1528    2.1847 C   0  0  0  0  0  3  0  0  0  0  0  0
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    0.8041   -0.5984    0.9407 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1395   -7.9651    5.2183 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.3716    0.1588   -0.3732 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.9592    0.9290   -1.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2768    2.3135   -5.0109 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.9052    1.7731   -7.4597 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6943    2.1356   -6.8270 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.1365    1.6060   -8.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507    3.5093   -5.8765 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9630    3.3748   -7.0328 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.0460    5.5263   -1.3808 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6615    4.2888   -0.3181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    5.8653   -0.0489 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3718   -3.4454    1.4892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8408   -5.3629    6.4533 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2805   -0.4399    3.3594 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9624   -5.8827    4.4968 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1554   -2.9419    3.1684 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.0154   -5.7917    7.7655 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.2415   -3.6630    5.0322 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230    1.3956    4.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    1.1724   -2.5266 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.1283    1.2811   -1.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    1.5555   -5.6092 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9691    2.7831   -8.4106 N   0  0  0  0  0  1  0  0  0  0  0  0
    0.8969    4.0004   -6.0314 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.5576    0.5229   -8.5605 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5699    4.3468   -7.5851 O   0  0  0  0  0  1  0  0  0  0  0  0
  1 30  1  0
  1 32  2  0
  2  7  1  0
  2 31  2  0
  2 32  1  0
  3  6  1  0
  4  7  2  0
  4  8  1  0
  5  6  1  0
  7  9  1  0
  8 10  2  0
  9 14  2  0
 10 14  1  0
 10 15  1  0
 11 16  1  0
 11 33  2  0
 11 37  1  0
 12 17  1  0
 12 37  1  0
 12  6  1  0
 13 18  1  0
 13 34  2  0
 13 38  1  0
 15 35  1  0
 15 40  2  0
 16 19  1  0
 16 35  1  0
 17 36  1  0
 17 39  2  0
 18 20  1  0
 18 36  1  0
 19 21  1  0
 21 22  1  0
 22 41  1  0
 22 42  2  0
 23 41  1  0
 24 23  1  0
 24 28  1  0
 24 43  1  0
 25 27  1  0
 26 25  1  0
 26 29  1  0
 26 43  1  0
 27 44  1  0
 27 46  2  0
 28 29  1  0
 28 45  1  0
 29 47  1  0
 30 31  1  0
M  RAD  8   1   2   3   2   4   2   5   2   6   2   8   2   9   2  12   2
M  RAD  8  14   2  16   2  18   2  19   3  20   2  21   3  23   3  24   2
M  RAD  8  25   3  26   2  28   2  29   2  35   2  36   2  37   2  38   2
M  RAD  4  41   2  44   3  45   2  47   2
M  END
$$$$
