TJLLIN0086
     RDKit          3D

 48 49  0  0  1  0  0  0  0  0999 V2000
    4.6138   -6.2341   -1.1078 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7267    4.4058    0.3486 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.8306    5.3869   -1.9089 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.4669    5.0575   -0.3916 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.8201   -2.9107   -0.0301 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0119   -0.3318    1.4328 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.4539    1.9128    2.8166 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1792    3.5383    0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3208    5.6261    0.3091 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.6179   10.2811    0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -5.2594   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    2.7705    3.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2705    7.1796    0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4803   -1.5960    0.6929 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.3565    0.8510    2.1689 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7106    2.6071    1.2788 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.6729    9.0912    0.5928 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0820   -4.3382   -2.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3658    1.3916    0.7614 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.2161    9.5425    0.7561 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.3915   -5.7334   -2.1661 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1348   -0.0142    0.3892 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9540   -1.2135    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3506   -7.4974   -1.4666 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.8113   -6.1290   -1.8762 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.9899   -5.8328   -2.7355 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.6619    3.0603   -0.6448 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341   10.6868   -0.8186 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9005   -5.4881    1.0667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7634    2.7248    2.6453 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.4989    7.7345    0.5720 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.0462   -4.0939   -0.6451 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2631   10.9273    1.4422 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.2772    4.8360    0.7873 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.5832    3.2943    4.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886    7.7603    0.6224 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0688   -3.5806   -2.9572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3694   -2.3899   -0.2115 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.4908   -0.9900    0.3633 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.4136   -8.8052   -0.8027 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.0275   -5.0014   -1.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1836   -8.4667   -1.5418 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.1274   -5.4980   -3.5721 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.3015   -6.4647    0.4660 O   0  0  0  0  0  1  0  0  0  0  0  0
  1 21  2  0
  2  4  1  0
  3  4  1  0
  5 14  1  0
  5 36  1  0
  6 14  1  0
  6 15  1  0
  7 12  1  0
  7 15  1  0
  8 16  1  0
  8 31  2  0
  8 38  1  0
  9 13  1  0
  9 38  1  0
  9  4  1  0
 10 17  1  0
 10 32  2  0
 10 37  1  0
 11 33  2  0
 11 36  1  0
 11  1  1  0
 12 34  1  0
 12 39  2  0
 13 35  1  0
 13 40  2  0
 16 19  1  0
 16 34  1  0
 17 20  1  0
 17 35  1  0
 18 21  1  0
 18 36  1  0
 18 41  2  0
 19 22  1  0
 22 23  1  0
 23 42  1  0
 23 43  2  0
 24 26  1  0
 24 27  1  0
 24 48  1  0
 25 42  1  0
 26 28  1  0
 26 44  1  0
 27 25  1  0
 27 45  1  0
 28 29  1  0
 28 46  1  0
 29 30  1  0
 29 45  1  0
 30 47  1  0
M  RAD  8   1   2   2   2   3   2   4   2   5   3   6   3   7   3   9   2
M  RAD  8  14   3  15   3  16   2  17   2  19   3  20   2  21   2  22   3
M  RAD  8  24   2  25   3  26   2  27   2  28   2  29   2  30   3  34   2
M  RAD  8  35   2  37   2  38   2  42   2  43   3  44   2  46   2  47   2
M  RAD  1  48   2
M  END
$$$$
