TJLLIN0096
     RDKit          3D

 39 41  0  0  1  0  0  0  0  0999 V2000
    1.4711   -0.8935    4.5515 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.9467    0.8256    2.6656 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.4934   -0.6870    2.9577 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0704   -0.5932   -0.1068 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.1690   -1.5399    2.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510   -1.7937    2.0690 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9561   -3.8141    0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5177    0.3142   -1.0647 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6201   -0.5855    1.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6856   -2.5268    1.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -2.2704    0.8443 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.5225    1.2323   -0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6365    0.3204    1.4854 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7947   -1.3384    0.8258 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.9584    2.1976   -1.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    1.2267    0.5241 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9036    3.1428   -3.7422 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6907    0.1468    0.2212 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9310    0.8054    0.7846 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.1088    1.2332   -2.0133 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7743    1.7253   -0.0776 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5123    1.4442   -3.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3511    1.8795   -1.5189 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.8678   -1.6279    3.2477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2311   -4.4602    1.7610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4179   -1.7512    1.2763 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9664   -4.2939   -0.4997 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.1297   -2.3127    1.9143 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.8965   -3.6618    0.9306 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4852    2.1029   -3.0714 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8609   -0.5549    1.1374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3099    0.4552    1.9550 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.8463    3.1733   -1.4765 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9538    4.1312   -2.8385 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3305    0.4240   -1.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6794    2.4109   -3.6049 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.6709    2.4852    0.4337 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.0990    2.4420   -2.3862 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.7917    0.5866   -4.3483 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  2  3  1  0
  4  8  2  0
  4  9  1  0
  5  9  1  0
  5 24  2  0
  5 28  1  0
  6 10  1  0
  6 28  1  0
  6  3  1  0
  7 11  1  0
  7 25  2  0
  7 27  1  0
  8 12  1  0
  9 13  2  0
 10 26  1  0
 10 29  2  0
 11 14  1  0
 11 26  1  0
 12 15  1  0
 12 16  2  0
 13 16  1  0
 14 31  1  0
 15 30  1  0
 15 33  2  0
 17 30  2  0
 17 34  1  0
 18 19  1  0
 18 31  1  0
 18 35  1  0
 19 21  1  0
 19 32  1  0
 20 23  1  0
 20 35  1  0
 20 22  1  0
 21 23  1  0
 21 37  1  0
 22 36  1  0
 22 39  2  0
 23 38  1  0
 33 34  1  0
M  RAD  8   1   2   2   2   3   2   4   2   6   2   8   2  11   2  13   2
M  RAD  8  14   3  16   2  17   2  18   2  19   2  20   2  21   2  23   2
M  RAD  7  26   2  27   2  28   2  32   2  36   2  37   2  38   2
M  END
$$$$
