TJLLIN0124
     RDKit          3D

 44 46  0  0  1  0  0  0  0  0999 V2000
  -11.0609    0.2470   -2.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3184    0.8234   -0.8956 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.0191   -3.2869    0.4885 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.4490   -5.1722    0.4176 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7207   -3.7438    0.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8447    1.8752    0.0018 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3062   -1.9174    0.4519 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.1163    0.7700    0.3430 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.9608    2.4865    1.0636 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.3151   -0.9401    0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7195   -2.7820    0.0812 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.5958    1.8509    1.2683 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9389   -1.3631    0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8035   -0.9176   -0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4385   -0.4826   -0.4412 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1308   -0.2111   -0.1438 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.0383    0.7056    0.0855 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.7963    0.4998   -0.2736 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9129    0.5013    0.0614 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.2413    0.5485    0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5880    0.4502    1.8272 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.3672    0.6298   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768    0.5812    0.1187 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.7030    0.7350    0.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3514    0.4643   -0.0690 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.3022    1.2029   -0.3307 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.3914    1.0721    0.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6439   -0.8964   -2.0037 O   0  0  0  0  0  1  0  0  0  0  0  0
  -10.9764    0.8709   -3.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1072    2.0612    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.9709    0.3793   -0.7264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2406   -6.5823    0.5449 O   0  0  0  0  0  1  0  0  0  0  0  0
  -10.1777    3.6866    1.4588 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.7101    0.4129    0.3306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0022    1.9510    2.3942 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.8500   -0.5103   -0.1116 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.8253   -1.5737   -1.9144 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8781    0.1156    2.0926 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5913   -0.1411    0.1947 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.4988    0.8828   -0.0625 N   0  0  0  0  0  2  0  0  0  0  0  0
   15.9341    0.6074    1.7528 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    1.4322   -1.4594 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1838    1.2935    0.4285 S   0  0  0  0  0  1  0  0  0  0  0  0
   15.6406    1.3835   -0.4867 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0
  1 29  2  0
  2  6  1  0
  2 31  1  0
  2  1  1  0
  3  5  2  0
  3  7  1  0
  4  5  1  0
  4 32  1  0
  5 11  1  0
  6  9  1  0
  6 30  1  0
  7 10  2  0
  8 12  1  0
  8 31  1  0
  8 34  1  0
  9 12  1  0
  9 33  1  0
 10 13  1  0
 10 34  1  0
 11 13  2  0
 12 35  1  0
 13 36  1  0
 14 15  1  0
 14 36  1  0
 14 37  2  0
 15 16  1  0
 16 39  1  0
 17 23  1  0
 17 40  1  0
 18 22  1  0
 18 25  1  0
 19 23  1  0
 19 25  1  0
 20 24  1  0
 20 38  2  0
 20 40  1  0
 21 24  2  0
 21 41  1  0
 22 39  1  0
 22 42  2  0
 24 26  1  0
 26 44  2  0
 27 41  2  0
 27 43  1  0
 27 44  1  0
M  RAD  8   2   2   3   2   4   3   6   2   7   2   8   2   9   2  11   2
M  RAD  8  12   2  15   3  16   3  17   3  18   3  19   3  21   2  23   3
M  RAD  8  25   3  26   2  28   2  30   2  32   2  33   2  35   2  36   2
M  RAD  3  39   2  40   2  43   2
M  END
$$$$
