TJL0523
     RDKit          3D

 64 67  0  0  1  0  0  0  0  0999 V2000
    4.1353   -4.0627   -3.0498 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.6603   -2.5586   -4.5762 C   0  0  0  0  0  1  0  0  0  0  0  0
    3.4469   -2.6237   -3.1858 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.9172    1.0376   -0.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0699    0.7327   -0.9385 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.1792    0.0110   -0.2397 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.0629   -0.5821    1.7880 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.5031   -0.2367    0.3695 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.0398   -0.1157   -2.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0845   -1.4344   -2.6194 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3534   -1.9902    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4709   -0.6485    0.9656 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.5666   -0.9127    1.9137 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2179   -0.5789   -1.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4455   -0.9538   -0.1182 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.5471    0.8994   -0.5532 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2390   -0.1694   -1.1483 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.5277    0.3117    0.5663 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.5254    1.6168    1.4408 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.4835    2.8520    2.4120 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.2073    5.1751    2.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5555    0.2080    0.4527 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7575    0.6732   -3.2053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3416   -3.1225   -0.2369 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3031   -1.3561   -1.0973 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.8631   -1.1828    2.0208 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942   -1.0644   -3.1470 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5265   -1.5278    1.1768 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.7932    0.5913   -1.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7691   -0.2983    1.6722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3701    0.6421   -1.6435 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4705    3.9423    3.4137 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.8690    5.4228    1.5696 N   0  0  0  0  0  1  0  0  0  0  0  0
    1.2091    6.1919    3.6674 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7469    2.2720   -0.5571 C   0  0  0  0  0  1  0  0  0  0  0  0
  -10.5786   -4.1063    0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695   -2.3511   -0.3548 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9819   -2.3221    0.6247 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.2677   -3.1906    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4081   -2.1400   -0.2168 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.5700   -2.3192    0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6382   -2.9807    0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230   -1.8857    1.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0261   -2.1001    2.0350 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.8754   -0.8604    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1276   -1.6951    0.1520 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.2406   -0.6328    0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6558   -1.8891    2.1566 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3999    1.4639    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7289    0.7323   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4439    2.4683    0.1435 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.7290    1.8050   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8287    3.8049    0.0118 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.1138    3.1393   -0.2421 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.1666    4.1600   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5826    5.5683   -0.3067 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.0604    5.9795   -0.5867 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.6057    6.7649   -0.1770 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.1502   -4.2939    1.5086 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.7328   -4.5449    0.7297 N   0  0  0  0  0  1  0  0  0  0  0  0
   -7.4311   -2.1281    0.4447 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6940   -4.7570   -0.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9545    0.1754    0.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9149    0.9747   -0.2684 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  2  3  1  0
  4 16  1  0
  4 22  2  0
  4 35  1  0
  5 16  1  0
  5 29  1  0
  6 12  1  0
  6 29  1  0
  7 13  1  0
  7 30  1  0
  8 17  1  0
  8 30  1  0
  9 17  1  0
  9 23  2  0
  9 27  1  0
 10 14  1  0
 10 27  1  0
 10  3  1  0
 11 15  1  0
 11 24  2  0
 11 28  1  0
 12 26  1  0
 13 26  1  0
 14 25  1  0
 14 31  2  0
 15 18  1  0
 15 25  1  0
 18 19  1  0
 19 20  1  0
 20 32  1  0
 21 32  1  0
 21 33  1  0
 21 34  2  0
 36 42  1  0
 36 59  1  0
 36 62  2  0
 37 40  2  0
 37 41  1  0
 38 41  1  0
 38 61  1  0
 39 42  2  0
 39 60  1  0
 39 61  1  0
 40 43  1  0
 41 44  2  0
 42 46  1  0
 43 48  2  0
 43 28  1  0
 44 48  1  0
 45 47  1  0
 45 61  2  0
 45 63  1  0
 46 47  2  0
 47 50  1  0
 49 51  1  0
 49 52  2  0
 49 63  1  0
 50 52  1  0
 50 64  2  0
 51 53  2  0
 52 54  1  0
 53 55  1  0
 54 55  2  0
 55 56  1  0
 56 57  1  0
 56 58  1  0
M  RAD  8   1   2   2   2   3   2   5   3   6   3   7   3   8   3  10   2
M  RAD  8  12   3  13   3  15   2  16   3  17   3  18   3  19   3  20   3
M  RAD  8  25   2  27   2  28   2  32   2  33   3  35   2  37   2  38   3
M  RAD  8  40   2  44   2  46   2  48   2  51   2  53   2  54   2  56   2
M  CHG  1  61   1
M  RAD  4  57   2  58   2  59   2  60   3
M  END
$$$$
