TJLLIN0123
     RDKit          3D

 45 46  0  0  1  0  0  0  0  0999 V2000
   -0.1902   -3.7412   -0.3749 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.3197   -2.9587    2.1303 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.3409   -1.7317    2.5063 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.7876   -1.3034    2.5375 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3494   -2.4860    0.6173 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.4708   -1.1283    1.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0724   -1.5852    1.8982 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.6345    0.5389    4.8727 C   0  0  0  0  0  1  0  0  0  0  0  0
   -0.4362   -1.0974    0.1804 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.3065   -0.3779    0.8011 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.7995   -0.9459    0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5046   -1.1058    0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8687   -0.8334    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5369    0.8439    3.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597   -0.4948   -0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8765   -0.0280    1.2821 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.2769   -0.7534   -0.4210 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.0290   -0.2448    0.2074 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.5263   -0.4642   -1.8205 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1649    0.2709    0.6395 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9777   -0.2570   -3.3241 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5334   -0.1218   -4.7859 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.7292    1.6592    1.2611 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.5681    0.5520    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6246    1.6141    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6807    1.0607   -6.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6828    3.3628    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6386    2.5396   -0.5643 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.1010   -2.1316    0.3712 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3053   -1.7264    1.5731 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0850   -1.5055    3.1130 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.0076   -0.8875    0.1199 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.7406    0.0654    2.6348 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6138   -0.3271    0.2670 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.6973   -0.6500    0.0582 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.1379    1.8991    3.1588 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7335    0.2610   -1.4556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4321    0.7351   -0.0140 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.0729   -0.0619   -6.1789 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.7784    2.5159    1.1036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9159   -0.3934    1.4088 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4286    2.3166   -5.8004 N   0  0  0  0  0  1  0  0  0  0  0  0
    6.4439    1.1956   -7.5012 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0964    4.4821   -0.2423 S   0  0  0  0  0  1  0  0  0  0  0  0
   -9.6423    3.4293   -0.7957 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0
  2  5  1  0
  3  6  2  0
  3  7  1  0
  4  6  1  0
  4 31  1  0
  6 10  1  0
  7 13  2  0
  8 14  1  0
  9 15  1  0
  9 34  1  0
  9  5  1  0
 10 18  2  0
 11 16  1  0
 11 29  2  0
 11 34  1  0
 12 17  1  0
 12 30  2  0
 12 35  1  0
 13 18  1  0
 13 35  1  0
 14 33  1  0
 14 36  2  0
 15 32  1  0
 15 37  2  0
 16 20  1  0
 16 33  1  0
 17 19  1  0
 17 32  1  0
 19 21  1  0
 20 38  1  0
 21 22  1  0
 22 39  1  0
 23 25  2  0
 23 40  1  0
 24 25  1  0
 24 38  1  0
 24 41  2  0
 25 28  1  0
 26 39  1  0
 26 42  1  0
 26 43  2  0
 27 40  2  0
 27 44  1  0
 27 45  1  0
 28 45  2  0
M  RAD  8   1   2   2   2   3   2   4   3   5   2   7   2   8   2   9   2
M  RAD  8  10   2  16   2  17   2  18   2  19   3  20   3  21   3  22   3
M  RAD  8  23   2  28   2  31   2  32   2  33   2  34   2  35   2  38   2
M  RAD  3  39   2  42   3  44   2
M  END
$$$$
