TJL0244
     RDKit          3D

 76 83  0  0  1  0  0  0  0  0999 V2000
  -14.4986    3.7358    1.3629 C   0  0  0  0  0  1  0  0  0  0  0  0
  -11.6399    6.1205    2.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0723    4.3512    1.1394 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.9399    4.9070    2.9065 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.7197    4.9659    0.9770 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.7698    3.8175    2.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6864    3.8436    1.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7698    2.6865    2.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6730   -6.0161    1.2718 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.5557    2.7274    0.1890 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.1796   -6.4974    0.0609 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.3347   -4.6729    1.3990 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.7137    1.7435    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3256   -5.6515   -1.0329 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.0998    0.5521    1.0036 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4798   -3.8118    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6013    0.5101   -0.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9289    3.5363   -1.2438 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9850   -4.2954   -0.9134 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.3351    3.2931   -1.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1554   -2.4234    0.4026 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.5693   -0.2524   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3972    3.9494   -0.0159 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.2698    2.6656    1.2086 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.0925    0.3586    0.7793 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.1425   -1.9839   -1.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8180   -1.2839   -1.2459 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.1205   -0.4984    0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8439   -1.0126    0.3864 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.5062   -1.5970    0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6842   -1.1800    1.3947 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.8570   -1.9302    1.2128 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.3382   -1.5226   -0.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2513   -1.0959   -2.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5551    3.9001    0.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8927    3.1976    0.7869 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.3879    1.6302    1.2528 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.2614   -0.8991   -0.0803 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.6662   -0.5715   -0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2558   -0.4693   -0.3875 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.3287   -0.5830    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9782   -1.4200    0.5216 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.0339   -2.6656    0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2238   -2.4349   -0.0838 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.2696   -1.9985   -1.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1232   -1.4957   -3.0815 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3406   -3.7767   -0.5478 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2963   -3.3351   -2.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1089   -2.7783   -3.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3388   -4.2152   -1.5835 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.2080   -3.7258   -3.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3018   -5.1769   -3.6809 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.4173    7.0791    2.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6732    5.9845    3.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6263    5.5676   -0.2066 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.0457    2.6520    3.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7840    1.7151    1.1963 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0880    3.3007   -2.0594 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1144   -2.7354   -1.1565 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4305   -0.7627    1.7351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1247   -2.4054   -0.4586 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4328    0.1394   -1.6183 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4849   -0.6829   -1.2527 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.4821   -1.5168    0.7267 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.0727   -1.8838    0.3724 N   0  0  0  0  0  2  0  0  0  0  0  0
   10.6545    3.3915    0.2612 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0245   -2.0371   -1.7917 N   0  0  0  0  0  2  0  0  0  0  0  0
    6.8885   -0.1337    0.1264 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.2225   -0.8791    1.2450 N   0  0  0  0  0  2  0  0  0  0  0  0
   -2.9444   -1.2163    1.8666 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5861    4.4019    2.0702 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9228    0.0913    0.4012 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0588    0.4892   -0.3499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9867   -3.8937    0.7854 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0225   -3.1029   -4.5359 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4662    5.2166   -0.0371 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  3  1  0
  2  5  1  0
  2 53  2  0
  2 54  1  0
  4  6  1  0
  4 54  1  0
  5  3  1  0
  5  7  1  0
  5 55  1  6
  6  7  2  0
  6  8  1  0
  7 10  1  0
  8 56  2  0
  8 57  1  0
  9 11  2  0
  9 12  1  0
 10 13  2  0
 11 14  1  0
 12 16  2  0
 13 17  1  0
 13 57  1  0
 14 19  2  0
 15 22  1  0
 15 57  1  0
 16 19  1  0
 16 21  1  0
 17 22  2  0
 17 62  1  0
 18 20  1  0
 18 23  1  0
 20 58  2  0
 20 66  1  0
 22 33  1  0
 23 35  1  0
 23 76  1  0
 24 36  1  0
 24 37  1  0
 25 37  1  0
 25 38  1  0
 26 38  1  0
 26 59  2  0
 26 67  1  0
 27 39  1  0
 27 67  1  0
 28 40  1  0
 28 60  2  0
 28 68  1  0
 29 41  1  0
 29 68  1  0
 29 21  1  0
 30 42  1  0
 30 61  2  0
 30 69  1  0
 31 69  1  0
 31 70  1  0
 32 43  1  0
 32 70  1  0
 33 44  1  0
 33 45  2  0
 34 45  1  0
 34 46  1  0
 34 62  2  0
 35 66  1  0
 35 71  2  0
 36 66  1  0
 39 63  1  0
 39 72  2  0
 40 63  1  0
 41 64  1  0
 41 73  2  0
 42 64  1  0
 43 65  1  0
 43 74  2  0
 44 47  1  0
 44 65  1  0
 45 48  1  0
 46 49  2  0
 47 50  1  0
 48 50  1  0
 48 51  2  0
 49 51  1  0
 49 75  1  0
 51 52  1  0
M  RAD  8   1   2   3   3   4   3   9   2  10   2  11   2  12   2  14   2
M  RAD  8  15   3  18   3  19   2  21   3  23   2  24   3  25   3  27   3
M  RAD  8  29   2  31   3  32   3  36   3  37   3  38   3  40   3  42   3
M  RAD  8  44   2  46   2  47   3  50   3  52   2  55   2  63   2  64   2
M  RAD  5  65   2  67   2  68   2  69   2  76   2
M  END
$$$$
