TJL0535
     RDKit          3D

 68 73  0  0  1  0  0  0  0  0999 V2000
   -0.3499   -2.0103    1.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7398   -0.0004    0.4764 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.9719   -1.1161   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7772   -2.6843    0.6582 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.1968    1.2066   -0.0497 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.1016   -2.0932   -2.5247 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.2201   -2.0043   -3.5453 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.2752   -0.1926   -1.8951 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.0290   -1.4060   -0.6605 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.1921   -4.2656   -0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9298   -3.6103    0.0869 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.0916    0.8236   -0.9636 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1001   -1.2816   -1.6736 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0219   -1.0882   -3.8754 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.2045   -0.2398   -3.1292 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.5507   -2.8641   -0.5079 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7682   -2.5709    2.3411 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2138   -2.3022    0.0402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -0.8578    0.7544 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.1389   -5.0546   -0.3898 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9910   -0.5631   -0.9415 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0064   -0.2903   -4.1859 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9084   -4.6131   -0.3914 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.2565   -2.7915   -3.2751 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4882   -0.1661   -0.8218 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4223    1.6031   -1.6278 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6665    2.6507    0.2396 C   0  0  0  0  0  1  0  0  0  0  0  0
   17.0273   -0.1646    1.3297 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8506   -3.0310   -2.7473 C   0  0  0  0  0  1  0  0  0  0  0  0
   -7.9503   -1.0660   -2.8424 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2417   -2.4739   -4.6355 C   0  0  0  0  0  1  0  0  0  0  0  0
   -6.6370   -1.3614   -2.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8800   -0.5022   -1.9695 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.2742   -1.0210   -1.1244 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4913   -0.1636   -0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1644   -0.3915   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4069    0.4340    0.1805 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.9815    0.8567    1.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4667   -0.4058    1.5193 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.6495    0.6262    1.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8575    1.5639    2.2465 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2605    1.0705    3.1030 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.3976    2.0992    3.4474 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1612   -0.5280    2.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0904    1.8770    3.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1262   -0.9956    1.2675 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8819    0.3245    3.1356 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.9070   -0.3203    1.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7389    1.0893    3.0352 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7717    1.5981    5.9501 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.9916    0.9587    1.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4555    1.7582   -2.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852    2.4870    0.5792 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.2090    2.2803   -1.1398 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2460    3.3348    1.4367 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1652    2.8726   -0.1853 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.7087    3.4414    1.1254 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.6914   -1.9533   -3.3437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8142   -0.0664    1.0202 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5697    2.5005    5.0665 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4564    2.1303   -3.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0707    2.0893    0.9912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8952    2.0298   -0.6519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6378    0.8630   -3.0137 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.6787    4.0762    2.3078 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.3891    2.8365   -0.4950 O   0  0  0  0  0  1  0  0  0  0  0  0
   -6.5399    3.7983    2.0212 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.5499    3.2304    5.9312 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  4  1  0
  1 17  2  0
  1 19  1  0
  2  3  1  0
  2  5  1  0
  2 28  1  0
  3 18  2  0
  3 21  1  0
  4 11  1  0
  5 12  1  0
  5 27  1  0
  6 13  1  0
  6 24  1  0
  7 14  1  0
  7 24  1  0
  8 15  1  0
  8 25  1  0
  9 16  1  0
  9 25  1  0
 10 16  1  0
 10 20  2  0
 10 23  1  0
 11 23  1  0
 12 21  1  0
 12 26  2  0
 13 21  1  0
 14 22  1  0
 15 22  1  0
 29 58  1  0
 30 32  2  0
 30 33  1  0
 31 58  1  0
 32 34  1  0
 32 58  1  0
 33 35  2  0
 34 36  2  0
 35 36  1  0
 35 37  1  0
 36 59  1  0
 37 38  2  0
 38 40  1  0
 38 41  1  0
 39 44  1  0
 39 59  1  0
 40 42  1  0
 40 59  2  0
 41 43  2  0
 42 45  2  0
 43 45  1  0
 44 46  2  0
 44 47  1  0
 45 60  1  0
 46 48  1  0
 47 49  2  0
 48 51  2  0
 48 19  1  0
 49 51  1  0
 50 60  1  0
 51 62  1  0
 52 61  2  0
 52 64  1  0
 53 55  1  0
 53 62  1  0
 53 63  1  0
 54 56  1  0
 54 63  1  0
 54 52  1  0
 55 57  1  0
 55 65  1  0
 56 57  1  0
 56 66  1  0
 57 67  1  0
 60 68  1  0
M  RAD  8   2   2   4   3   5   2   6   3   7   3   8   3   9   3  11   3
M  RAD  8  13   3  14   3  15   3  16   3  19   2  23   2  27   2  28   2
M  RAD  8  29   2  30   2  31   2  33   2  34   2  37   2  39   3  41   2
M  RAD  8  42   2  43   2  46   2  47   2  49   2  50   2  53   2  54   2
M  RAD  8  55   2  56   2  57   2  64   2  65   2  66   2  67   2  68   2
M  CHG  1  59   1
M  END
$$$$
