TJLLIN0027
     RDKit          3D

 43 44  0  0  1  0  0  0  0  0999 V2000
    8.0177   -1.5352   -2.1364 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.0110   -2.2860   -0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.9294   -0.2708   -0.6848 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.8549   -0.3237   -1.8614 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.2804   -0.6386   -0.8403 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9922    1.3420    0.0000 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.2525    1.1084   -1.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0049   -2.3672    2.8287 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4199    0.1250    3.4651 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4702    0.8568    2.8045 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2762    0.7811    0.4960 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.3816    0.8727   -1.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2884   -0.8754    4.2662 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.9228    0.7846    2.9104 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.0168    0.7914    1.8567 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.5392   -0.1974   -1.7489 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2866    1.6458   -2.0337 C   0  0  0  0  0  3  0  0  0  0  0  0
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   -2.1545    2.7642   -3.0791 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.4252    2.5150   -4.4821 C   0  0  0  0  0  1  0  0  0  0  0  0
   -2.3910    4.3156   -2.8782 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.5142   -3.3943   -0.8605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7440    0.3579   -2.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8134    1.8549   -1.2574 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1017    1.3402   -1.1294 N   0  0  0  0  0  2  0  0  0  0  0  0
    8.1260   -1.8452    4.9908 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.6009    0.7826    3.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7081   -1.5810    0.0664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034    1.5119   -0.3917 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.7865    1.0213    2.7055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0878   -0.7076   -0.6392 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9224   -0.5164   -1.8811 O   0  0  0  0  0  1  0  0  0  0  0  0
   10.1021    0.3243   -0.0239 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6907   -3.4787    4.7077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3563   -0.4082   -1.3416 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  5  1  0
  2 30  2  0
  2 36  1  0
  4  6  2  0
  4 13  1  0
  5 17  1  0
  6 16  1  0
  7  3  1  0
  7 15  1  0
  7 37  1  0
  8 31  2  0
  8 37  1  0
  9 18  1  0
  9 20  1  0
 10 21  1  0
 10 38  1  0
 11 22  1  0
 11 38  1  0
 12 19  1  0
 12 23  1  0
 13 25  2  0
 13 33  1  0
 14  8  1  0
 14 27  1  0
 14 32  1  0
 15 33  1  0
 15 39  2  0
 16 24  1  0
 16 26  2  0
 17 36  1  0
 17 41  2  0
 18 34  1  0
 18 42  2  0
 19 32  1  0
 19 43  2  0
 20 36  1  0
 21 34  1  0
 22 35  1  0
 23 35  1  0
 24 40  1  0
 25 26  1  0
 27 28  1  0
 27 29  1  0
M  RAD  8   1   3   3   2   4   2   5   3   6   2   7   2   9   3  10   3
M  RAD  8  11   3  12   3  14   2  20   3  21   3  22   3  23   3  24   3
M  RAD  8  25   2  26   2  27   2  28   2  29   2  32   2  33   2  34   2
M  RAD  2  37   2  40   2
M  END
$$$$
