TJLLIN0014
     RDKit          3D

 50 52  0  0  1  0  0  0  0  0999 V2000
    3.8085   -0.3294   -1.0107 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6137   -1.6616   -1.3679 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7462   -2.6316   -0.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0231   -2.3223    0.3424 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.5018   -2.0766    1.7679 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.1765   -1.7460    3.3884 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -0.0983    3.3016 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.8647    1.3096    3.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229    1.9907    2.1100 N   0  0  0  0  0  2  0  0  0  0  0  0
    2.7215    1.7260    3.9494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    1.6687    1.4511 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.9248    0.9190    2.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4305    0.0657    1.1448 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.0359    2.2048    0.1035 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.0960    3.7720   -0.1594 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.7482    1.5324   -1.1694 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2274    1.0700    3.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7683   -0.0885    0.9551 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8554    0.9232    1.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0782    0.3441    1.4524 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0782   -1.1655    0.0290 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2603   -2.3142   -1.0273 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.2732   -3.4433   -2.1260 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.1246   -4.5124   -3.1388 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.1530   -4.7444   -3.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4677   -4.1121   -3.7076 N   0  0  0  0  0  1  0  0  0  0  0  0
   -4.1054   -5.4655   -4.9551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5791    2.1181    1.4777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1497    1.1125    1.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3632    0.9249    1.0767 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.5530    1.5679    1.4546 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.5904    2.3893    2.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4108    2.5719    3.2974 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2145    1.9415    2.9001 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.8252    3.0112    2.9937 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.0418    3.6216    3.3828 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.7710   -3.8016   -1.2454 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043   -1.9808   -2.0196 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.0260   -1.3984   -2.2464 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8224   -0.1678   -1.6720 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.8326    0.5971   -1.0896 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8335    1.9970   -1.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1603    2.5906   -1.1844 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.8816    2.7597   -0.9438 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6321    2.6835   -1.6396 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.1445   -1.8624   -2.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945   -2.9629   -3.4442 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2170   -0.8846   -3.0407 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.7570    1.8872   -2.3061 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.9309    0.4700   -2.8584 C   0  0  0  0  0  2  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 38  1  0
  3  4  1  0
  3 37  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 11  9  1  0
 11 12  1  0
 11 14  1  0
 12 13  1  0
 12 17  2  0
 13 18  1  0
 14 15  1  0
 14 16  1  0
 18 19  1  0
 18 21  1  0
 19 20  1  0
 19 28  2  0
 20 29  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 35  1  0
 33 34  2  0
 34 29  1  0
 35 36  1  0
 38 39  1  0
 39 40  1  0
 39 46  1  0
 40 41  1  0
 41  1  1  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
 43 45  1  0
 45 49  1  0
 46 47  2  0
 46 48  1  0
 48 50  1  0
 50 49  1  0
M  RAD  8   1   3   4   3   5   3   7   3   9   2  11   2  13   2  14   2
M  RAD  8  15   2  16   2  18   2  20   2  21   3  22   3  23   3  24   2
M  RAD  8  26   3  30   2  31   2  33   2  34   2  35   3  36   2  38   3
M  RAD  6  40   3  43   3  45   3  48   3  49   3  50   3
M  END
$$$$
