TJLLIN0051
     RDKit          3D

 52 53  0  0  1  0  0  0  0  0999 V2000
   -4.1138   -1.3584   -3.2688 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.9775   -2.8696    1.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8977   -1.1071    1.3892 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.6890   -1.4012   -1.7322 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.0033   -3.7348    1.1480 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1873    0.1480    2.1326 C   0  0  0  0  0  2  0  0  0  0  0  0
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    8.2164   -3.9684   -0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5832   -4.3404    0.2125 C   0  0  0  0  0  3  0  0  0  0  0  0
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   -0.1255    2.2785    0.2254 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1582    3.2781   -0.1110 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.9518   -3.6711   -0.0277 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.6445   -4.9816    0.5365 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4258    3.9785   -0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4566   -6.1654    1.1924 C   0  0  0  0  0  2  0  0  0  0  0  0
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    3.8015    5.9302   -0.2963 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.3616    7.1396    0.3742 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.5548    6.7985   -1.6376 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.4249    7.6881   -0.4870 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3919    6.8951   -2.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1685   -2.2188    2.6982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0804    1.0022   -1.6869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1072    0.5250    1.7156 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.8582   -3.0377    0.8916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5146   -1.5150   -2.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6030   -4.4733   -0.9832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1623    1.0641    3.7306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6696   -1.1941   -0.5973 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.4291    0.2470   -0.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8055   -9.3521    2.1326 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7318    5.1414    0.0788 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.0633    3.3619   -1.4145 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3168   -7.1392    1.8971 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.9373   -8.9109    0.9257 N   0  0  0  0  0  1  0  0  0  0  0  0
    4.5559    5.7615   -1.5044 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8671    7.7075    1.3936 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.2413    7.8946   -3.6995 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.3875    8.4447   -0.1250 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.2105    5.9402   -3.1737 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0
  2  7  1  0
  2 32  2  0
  2 35  1  0
  3  6  1  0
  4  9  1  0
  4 35  1  0
  5  9  1  0
  5 10  1  0
  7 15  2  0
  8 10  1  0
  8 12  1  0
 11 16  1  0
 11 33  2  0
 11 38  1  0
 12 34  1  0
 12 40  2  0
 13  6  1  0
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 13 38  1  0
 14 15  1  0
 14 35  1  0
 14 39  2  0
 16 20  1  0
 16 34  1  0
 17 19  1  0
 17 36  2  0
 17 41  1  0
 18 37  1  0
 18 42  2  0
 19 22  1  0
 19 37  1  0
 20 21  1  0
 21 24  1  0
 22 23  1  0
 23 25  1  0
 24 44  1  0
 24 45  2  0
 25 46  1  0
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 27 28  1  0
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 28 30  1  0
 28 49  1  0
 29 30  1  0
 29 31  1  0
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 30 51  1  0
 31 50  1  0
 31 52  2  0
M  RAD  8   1   2   3   2   4   3   5   3   6   2   7   2   8   3   9   3
M  RAD  8  10   3  13   2  15   2  16   2  19   2  20   3  21   3  22   3
M  RAD  8  23   3  25   3  27   2  28   2  29   2  30   2  34   2  37   2
M  RAD  8  38   2  41   2  44   2  46   2  47   3  49   2  50   2  51   2
M  END
$$$$
