TJLLIN0137
     RDKit          3D

 50 50  0  0  1  0  0  0  0  0999 V2000
    9.6780    2.5462   -0.1596 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.0473   -0.5279    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4635    3.4193   -0.4770 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.2627    0.7420    0.6178 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.7974    1.1281   -0.4318 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.0624    0.3341   -0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9431    2.0558   -0.9509 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.1913    1.5762    1.3129 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.9774    2.0842    2.8050 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.2470    2.5153    0.5849 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.9949   -0.3931   -1.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4275    0.5393   -3.2479 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5895   -0.2710   -2.0562 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3842    1.4526   -4.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3568   -0.9349   -1.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0005   -0.8349    1.8833 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2011   -0.6015   -1.1203 C   0  0  0  0  0  2  0  0  0  0  0  0
  -17.4406   -1.1693    2.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9633   -2.3864    1.1444 C   0  0  0  0  0  1  0  0  0  0  0  0
  -14.6770   -0.3446    1.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9409   -0.2838   -0.2626 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.8691   -0.3858    0.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2615   -0.7075    1.3398 C   0  0  0  0  0  2  0  0  0  0  0  0
  -18.4471    0.1727    2.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2453   -0.3559    0.0001 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.5349   -0.4941    1.4855 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.0819    0.0550    1.4082 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.6700   -0.7552   -0.4999 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8278   -0.6126   -0.1699 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.9832   -0.0092    0.6966 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.3279   -1.2103    1.4041 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5304    0.8192   -0.9749 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625   -0.8546   -0.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5170   -1.5083   -1.3512 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    0.9219   -5.6487 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.1081   -1.4680   -3.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5315   -0.7393   -1.3315 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.1419    2.6907   -4.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6142   -2.2475    3.7624 S   0  0  0  0  0  1  0  0  0  0  0  0
  -10.7073    0.3686   -0.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6444   -1.1400    1.7880 N   0  0  0  0  0  2  0  0  0  0  0  0
  -19.2769    0.2821    1.1083 O   0  0  0  0  0  1  0  0  0  0  0  0
   -9.9282   -1.0007    1.6813 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.6765    0.7128    0.8263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9164    0.0308    0.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3705    1.0000    3.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8686   -1.1256   -0.9477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8683    0.6075    1.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9781    1.1403    0.3961 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.5671   -0.6699   -0.7880 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  2 31  2  0
  2 50  1  0
  3  7  1  0
  4  2  1  0
  4  8  1  0
  5  1  1  0
  5  6  1  0
  5 32  1  0
  6 33  2  0
  6 49  1  0
  7 32  1  0
  8  9  1  0
  8 10  1  0
 11 13  1  0
 11 32  1  0
 11 34  2  0
 12 14  1  0
 13 12  1  0
 13 37  1  0
 14 35  1  0
 14 38  2  0
 15 17  1  0
 15 36  2  0
 15 37  1  0
 16 18  1  0
 16 20  1  0
 17 21  1  0
 18 19  1  0
 18 24  1  0
 18 39  1  0
 20 41  1  0
 20 44  2  0
 21 45  1  0
 22 23  1  0
 22 40  2  0
 22 43  1  0
 23 41  1  0
 24 42  1  0
 24 46  2  0
 25 28  1  0
 25 45  1  0
 26 27  1  0
 26 43  1  0
 27 48  1  0
 28 47  1  0
 29 30  1  0
 29 47  1  0
 30 48  1  0
 49  4  1  0
M  RAD  8   1   3   3   3   4   2   5   2   7   3   8   2   9   2  10   2
M  RAD  8  12   3  13   2  16   3  17   3  19   2  21   3  23   3  25   3
M  RAD  8  26   3  27   3  28   3  29   3  30   3  35   2  37   2  39   2
M  RAD  5  41   2  42   2  43   2  49   2  50   2
M  END
$$$$
