TJL0199
     RDKit          3D

 80 88  0  0  1  0  0  0  0  0999 V2000
    3.3037    2.0713   -2.9681 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1016    1.6661   -4.2880 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.0842    1.3210   -2.0998 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7153    0.5201   -4.7497 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.6703    0.1610   -2.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0138   -3.3712   -1.6749 C   0  0  0  0  0  2  0  0  0  0  0  0
    4.4944   -0.2375   -3.8751 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.1119   -1.9410   -1.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4363   -0.6381   -1.6330 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.0160   -3.7403   -0.3019 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9806   -1.5647   -0.6555 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.7336    1.3741    0.0641 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.0851    3.6649    1.8693 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.5319    3.5489    4.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8439    1.2926    4.1008 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.6149   -1.4553    1.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805   -4.7954   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3542   -3.7985   -0.3001 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.1994   -2.4496    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2686    0.1971    3.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8661   -0.0945   -0.2444 C   0  0  0  0  0  2  0  0  0  0  0  0
   12.4380    2.7497    0.7104 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.7281    3.8343    3.3609 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.6223   -0.4842    1.5604 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.1884   -2.8982   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8888   -3.8242   -0.5241 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.6566   -1.4020   -2.7113 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    4.5284    5.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2513   -2.3266    1.8136 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9763   -5.8645    0.1594 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5118    0.5884    2.2099 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.8571   -2.7028   -0.6615 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.8921   -1.4212   -0.5048 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3926    2.2525    5.1271 N   0  0  0  0  0  2  0  0  0  0  0  0
    7.2507   -1.2404   -0.2446 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.6651   -4.5046   -1.0978 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.8036   -2.3237    1.4917 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5962   -0.9457    3.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7724   -3.9674   -0.2278 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7279   -5.0828    0.1036 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.2889    5.4970   -0.3460 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.9487    4.3198   -0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4558    4.3845   -0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3986    4.9066    0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3261    0.6599    1.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.6426    0.0762 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.1997    3.2985    0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7345    3.4122    0.3632 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1058    2.5751   -0.2852 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.9428    0.3892    1.0265 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.1263    2.9635    1.7254 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.0867    1.9633    0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3666    2.1492    0.4989 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.7218   -1.7981    0.3895 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.0250    1.1522   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8590    1.1283   -0.2282 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1548   -0.7862    1.3484 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2634    0.7331    0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1311    0.2329   -0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2495   -0.2776   -2.1879 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.5766   -1.1443   -0.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7914   -1.7030   -2.2482 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.7901   -1.4689   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8871   -2.1910   -1.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1283   -2.8023   -0.0712 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3072   -3.5129   -1.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4130   -3.8257   -0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6606   -4.6215   -2.2969 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.3444    5.3188   -0.6835 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5481    5.9040   -0.2878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7829    0.0976    2.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5789    5.1790    0.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3431    3.0779   -0.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9101    1.6413    0.7920 N   0  0  0  0  0  2  0  0  0  0  0  0
  -14.2940    2.6727   -0.5865 O   0  0  0  0  0  1  0  0  0  0  0  0
   -5.7432    0.6004   -1.1955 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.6550   -0.5500    0.3482 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8762   -5.0736   -0.5336 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2443   -3.0674    0.3987 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5050    2.5122    3.1745 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  2  4  1  0
  3  5  2  0
  4  7  2  0
  5  7  1  0
  5  9  1  0
  6  8  1  0
  6 10  1  0
  8 27  2  0
  8 33  1  0
 10 19  1  0
 10 40  1  0
 11 35  1  0
 11 25  1  0
 11  9  1  0
 12 21  1  0
 12 22  1  0
 13 22  1  0
 13 23  1  0
 14 23  1  0
 14 28  2  0
 14 34  1  0
 15 20  1  0
 15 34  1  0
 16 24  1  0
 16 29  2  0
 16 35  1  0
 17 26  1  0
 17 30  2  0
 17 36  1  0
 18 36  1  0
 18 79  1  0
 19 33  1  0
 19 37  2  0
 20 31  1  0
 20 38  2  0
 21 33  1  0
 24 31  1  0
 25 32  1  0
 25 39  2  0
 26 32  1  0
 41 43  1  0
 41 70  1  0
 42 43  1  0
 42 69  2  0
 42 73  1  0
 43 47  2  0
 44 70  1  0
 44 72  2  0
 44 48  1  0
 45 71  2  0
 45 74  1  0
 46 50  1  0
 46 54  1  0
 47 48  1  0
 47 53  1  0
 48 75  1  6
 49 55  1  0
 49 73  1  0
 50 57  1  0
 50 45  1  1
 51 48  1  0
 51 80  1  0
 52 53  2  0
 52 58  1  0
 52 73  1  0
 54 57  1  0
 54 79  1  1
 55 58  2  0
 55 59  1  0
 56 74  1  0
 56 76  1  0
 58 77  1  0
 59 61  2  0
 59 76  1  0
 60 62  1  0
 60 76  1  0
 61 63  1  0
 61 64  1  0
 62 64  1  0
 63 65  1  0
 63 77  2  0
 64 66  2  0
 65 67  2  0
 66 67  1  0
 66 68  1  0
 67 78  1  0
M  RAD  8   1   2   2   2   3   2   4   2   6   3   7   2   9   3  10   2
M  RAD  8  11   2  12   3  13   3  15   3  18   3  21   3  22   3  23   3
M  RAD  8  24   3  26   3  31   2  32   2  34   2  35   2  36   2  40   2
M  RAD  8  41   3  46   3  49   3  50   2  51   3  53   2  54   2  56   3
M  RAD  8  57   3  60   3  62   3  65   2  68   2  74   2  75   2  76   2
M  RAD  1  80   2
M  END
$$$$
