TJL0447
     RDKit          3D

 77 82  0  0  1  0  0  0  0  0999 V2000
   -0.7516   -1.0954   -1.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3786   -1.1929   -0.3042 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3798    1.0704   -0.0532 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.1340   -1.1684    2.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0815   -1.5136    1.0767 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1223   -1.8218    0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582    0.8830    3.3311 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.2515   -0.9358    0.5148 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.9892    0.7740   -0.4086 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.5344   -1.7634   -1.0874 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.5247   -0.9771   -0.2020 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.6339   -1.6356   -2.0357 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.2991    1.1097    1.1888 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.1967    2.2151    3.2565 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.5171    1.3505    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8502   -0.7184   -1.9138 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.3016   -1.7569   -2.1717 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5793    2.1918    1.7618 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.1974   -0.6832   -1.9610 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.7688   -3.7584   -1.3586 C   0  0  0  0  0  1  0  0  0  0  0  0
   14.8474   -3.2528   -1.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2870   -1.5645   -0.5441 C   0  0  0  0  0  1  0  0  0  0  0  0
   16.2070   -2.7137   -1.0323 C   0  0  0  0  0  2  0  0  0  0  0  0
   -4.6780    0.4071    0.0864 C   0  0  0  0  0  3  0  0  0  0  0  0
   18.2921   -0.8526    1.1121 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4753   -0.6760    0.4980 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.8230   -2.1191    0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2989    1.4838   -0.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0292    0.3682    1.7373 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.0671   -0.7136    1.9553 C   0  0  0  0  0  1  0  0  0  0  0  0
   19.8907    1.5411    2.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6465   -3.5306    0.3611 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.3742   -4.6508    0.7475 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.4892    3.5363   -0.3159 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3186    4.7477    0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4124    1.7356   -0.4822 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.2865   -2.3292    0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9463    3.0587   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7500   -4.6257    0.8678 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.6014    1.2474   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1464   -0.0864   -0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7096   -2.2558    0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4021   -3.4256    0.6862 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.9536    3.9573   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4294    5.2036    0.1450 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.5275    0.0497   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3314   -1.0079    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4076    3.5690   -0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7937    1.4367   -0.2835 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.7327   -0.7687    0.1658 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.2302   -0.4476    0.1710 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.0981   -2.3410   -2.3501 N   0  0  0  0  0  1  0  0  0  0  0  0
   -0.7073   -0.0704   -2.3795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4755   -2.0530    2.9060 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1932   -2.8164   -0.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2052   -1.5691    1.4783 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4826    0.1755    2.2697 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5198   -0.2542    0.5888 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4402   -2.4632   -1.9918 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3905   -4.0745   -0.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0050    0.1956   -1.7722 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3497    0.2789    0.3010 N   0  0  0  0  0  2  0  0  0  0  0  0
   17.5177   -2.0553   -0.7236 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.2712   -2.8409   -2.4178 N   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6610    1.3781   -1.8446 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8510   -3.0950    1.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6387    2.4987    0.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2878    2.3897    3.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4071    4.9084    1.5018 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1263    1.5055    2.0744 O   0  0  0  0  0  1  0  0  0  0  0  0
   -9.5391   -1.2434   -0.0880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3163    5.7275    0.5973 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6538    2.1931   -0.3815 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2832    4.4161   -0.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7298    2.4562   -0.1978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0860    4.1083   -1.6437 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.8312    4.7491   -3.0530 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1 52  1  0
  1 53  2  0
  3 58  1  0
  4  5  1  0
  4 54  2  0
  4 57  1  0
  5 56  1  0
  5  2  1  0
  6  8  1  0
  6 55  2  0
  6 56  1  0
  7 14  1  0
  7 57  1  0
  8 58  1  0
  9 61  1  0
 10 11  1  0
 10 59  1  0
 11 58  1  0
 12 16  1  0
 12 59  1  0
 13 15  1  0
 13 18  1  0
 13 57  1  0
 14 18  1  0
 15 62  1  0
 15 75  2  0
 16 61  1  0
 17 19  1  0
 17 64  1  0
 19 61  1  0
 20 59  1  0
 21 23  1  0
 21 60  2  0
 21 64  1  0
 22 26  1  0
 23 63  1  0
 24 28  1  0
 24 62  1  0
 24 26  1  0
 25 27  1  0
 25 29  1  0
 26 30  1  0
 27 63  1  0
 27 66  2  0
 28 65  2  0
 28 67  1  0
 29 31  1  0
 31 68  2  0
 31 70  1  0
 32 33  2  0
 32 37  1  0
 33 39  1  0
 34 35  1  0
 34 38  1  0
 34 67  1  0
 34 76  1  6
 35 69  2  0
 35 72  1  0
 36 38  1  0
 36 40  2  0
 37 42  2  0
 37 71  1  0
 38 44  2  0
 39 43  2  0
 40 41  1  0
 40 73  1  0
 41 46  1  0
 41 71  2  0
 42 43  1  0
 42 47  1  0
 44 45  1  0
 44 48  1  0
 45 72  1  0
 46 47  2  0
 46 49  1  0
 47 50  1  0
 48 73  1  0
 48 74  2  0
 49 73  1  0
 50 51  1  0
 76 77  1  0
M  RAD  8   2   3   3   2   5   2   7   3   8   3   9   2  10   3  11   3
M  RAD  8  12   3  13   2  14   3  16   3  17   3  18   3  19   3  20   2
M  RAD  8  22   2  23   3  24   2  25   3  26   2  29   3  30   2  32   2
M  RAD  8  33   2  36   2  39   2  43   2  45   3  49   3  50   3  51   2
M  RAD  8  52   3  56   2  62   2  63   2  64   2  70   2  76   3  77   2
M  END
$$$$
