TJLLIN0020
     RDKit          3D

 49 49  0  0  1  0  0  0  0  0999 V2000
    3.5145    0.2210   -1.2288 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.6665    0.6590   -0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7222    0.4995   -2.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5356    0.1255    0.6804 C   0  0  0  0  0  2  0  0  0  0  0  0
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   20.0565   -0.3354   -0.0220 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.8658    0.9180    0.6196 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.4089   -1.1346   -1.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1162   -0.4428    2.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1418    0.6883   -0.6919 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.8336   -0.0635    0.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -18.3679    0.0091    0.7310 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9492    0.3609   -0.2756 C   0  0  0  0  0  2  0  0  0  0  0  0
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  -12.2373   -0.4677   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4367    0.6331   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5832   -0.2914    0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5254    0.9658   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0607    1.0585    0.4260 C   0  0  0  0  0  2  0  0  0  0  0  0
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  -15.9411   -2.3762   -0.9693 O   0  0  0  0  0  1  0  0  0  0  0  0
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   13.3020   -0.3977    2.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0271   -0.4172    0.8482 N   0  0  0  0  0  2  0  0  0  0  0  0
   17.9535   -1.7181   -2.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8028   -0.5746   -0.0666 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1619    0.0391   -3.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2362   -0.5070   -0.1348 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9761   -1.1830    3.2212 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5505   -0.5409   -1.4363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1965   -0.4394    0.1604 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6521    2.0087    0.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822    0.5066   -1.3663 N   0  0  0  0  0  2  0  0  0  0  0  0
  -15.8746    0.6854    2.2586 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.8219   -0.0459   -0.1300 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.7957    1.7958   -0.4251 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7118    1.3558   -2.3055 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4545    0.0331   -0.4956 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.3863   -0.5294    0.8270 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8416    0.5098    1.7743 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4856    0.1654   -0.0144 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0
  1 13  1  0
  2 30  2  0
  2 24  1  0
  2 41  1  0
  3  6  1  0
  3 32  1  0
  4 45  1  0
  4 35  2  0
  5 47  1  0
  6 28  1  0
  7 25  2  0
  8 29  1  0
  8  5  1  0
  9 33  2  0
  9 34  1  0
 10  3  1  0
 10 37  2  0
 10 42  1  0
 11 22  1  0
 11 41  1  0
 12  7  1  0
 12 34  1  0
 12 48  2  0
 13 47  1  0
 14 36  1  0
 15 46  1  0
 16 14  1  0
 16 42  1  0
 17 34  1  0
 18 39  1  0
 18 19  1  0
 19 32  1  0
 19 38  2  0
 20 39  1  0
 20 15  1  0
 20 44  2  0
 21 31  2  0
 21 43  1  0
 22 40  2  0
 22 46  1  0
 23 29  1  0
 23 26  1  0
 24 45  1  0
 25  9  1  0
 26 43  1  0
 27 17  1  0
 27 21  1  0
 36 49  1  0
M  RAD  8   1   3   3   2   5   3   6   3   7   2   8   3  11   3  13   3
M  RAD  8  14   3  15   3  16   3  17   3  18   3  23   3  24   3  25   2
M  RAD  8  26   3  27   3  28   2  32   2  39   2  41   2  42   2  43   2
M  RAD  3  45   2  46   2  49   2
M  END
$$$$
