TJL0492
     RDKit          3D

 85 92  0  0  1  0  0  0  0  0999 V2000
   12.3493    2.1082    1.9182 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.7640   -0.6513    0.9896 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.7016   -3.8224    1.2040 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.2335    2.4377    0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6687    1.3261    2.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5106   -0.0895    1.4616 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.1533   -1.2365    0.5501 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.7598   -3.0357    0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4980   -4.5286    1.8566 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.4045    3.2643   -0.8687 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.1885   -0.6810    0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4611    3.8353    0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2810    4.1010   -0.9234 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1611   -1.4371   -0.3037 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.5651    1.2623   -0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799   -0.1401   -0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189   -1.7234   -0.2998 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.2969    0.8562   -0.6168 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.1488   -0.7105   -0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6748   -1.5902    0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9037    1.5370   -0.9587 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.6861    0.6897    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    0.5885   -0.6300 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.5541   -1.0028   -0.5894 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9248   -0.2395    0.2593 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9023    2.4969   -2.0585 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1295   -3.8302    1.1309 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7089   -4.4199    2.3904 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.6964   -2.7089    0.4618 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.6795   -1.5728   -0.2889 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9276    3.5718   -3.2236 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.9597   -2.0073   -1.7956 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.0071    4.6546   -4.3535 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.1235   -2.7957    0.5709 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.0976   -2.3356    0.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9191   -3.9401    2.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8254   -5.6521    4.9485 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.9373   -0.7570   -0.9650 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.5773   -2.9052    2.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9180   -1.4371    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4233   -4.4359    4.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5147    0.7205   -2.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3560    5.6779   -6.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1159   -1.0786    0.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5860   -3.8698    4.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7954   -2.4100    2.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7895   -0.1588   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8832    1.3473   -2.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5488    2.1576   -3.0709 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.2603   -2.8904    3.9326 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.9390    0.4191   -0.0512 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.6219    1.1951   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2865    3.2965    1.7137 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.0289    1.8070   -0.9409 C   0  0  2  0  0  0  0  0  0  0  0  0
  -15.4185    2.8904   -2.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1664    2.5163    0.3577 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.1457    1.7962    0.8786 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5082    0.7639    2.5472 N   0  0  0  0  0  2  0  0  0  0  0  0
   14.4746   -1.8111    0.1776 N   0  0  0  0  0  2  0  0  0  0  0  0
   11.4364   -5.1077    2.4115 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9515    2.7211    0.8592 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1599    1.3375    4.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8713   -3.5644    0.5912 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0399    0.0412   -0.5142 N   0  0  0  0  0  2  0  0  0  0  0  0
    9.2354   -1.8344    0.4389 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6228    4.6465    0.5650 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4431    1.2758    1.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2642   -1.6215    1.3985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8602   -1.2557   -0.8297 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    0.1436    0.9058 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.0333    0.7599   -0.8422 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.9524   -1.7743   -0.1837 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.9222    0.8609   -3.3966 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0248    0.0097   -1.2079 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    5.7286   -5.3652 N   0  0  0  0  0  2  0  0  0  0  0  0
    3.3777    6.4811   -7.3678 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5744   -1.5206    2.0842 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1359   -4.2770    5.8282 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162    4.6339   -6.5690 N   0  0  0  0  0  1  0  0  0  0  0  0
  -14.6205    2.9143   -3.2309 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9252    0.8095   -1.0158 O   0  0  0  0  0  1  0  0  0  0  0  0
  -16.3702    3.6769   -2.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7629    3.7280   -1.4770 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.0566    2.1614    0.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8608   -6.3864    2.8657 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  5  1  0
  1 61  1  0
  2  7  1  0
  3  8  1  0
  3  9  1  0
  4 10  1  0
  4 57  2  0
  4 61  1  0
  5 58  1  0
  5 62  2  0
  6  2  1  0
  6 11  1  0
  6 58  1  0
  7 59  1  0
  8 59  1  0
  8 63  2  0
  9 60  1  0
 10 13  1  0
 10 83  1  0
 11 65  2  0
 11 70  1  0
 12 13  1  0
 12 61  1  0
 12 66  2  0
 14 16  2  0
 14 17  1  0
 15 64  1  0
 15 84  2  0
 16 18  1  0
 16 64  1  0
 17 19  2  0
 18 23  2  0
 19 23  1  0
 19 24  1  0
 20 68  2  0
 20 69  1  0
 20 72  1  0
 21 15  1  0
 21 26  1  0
 21 71  1  0
 22 25  1  0
 22 67  2  0
 22 71  1  0
 24 69  1  0
 25 70  1  0
 26 31  1  0
 27 28  1  0
 27 29  1  0
 28 36  1  0
 29 35  1  0
 29 72  1  0
 30 25  1  0
 30 32  1  0
 30 34  1  0
 31 33  1  0
 33 75  1  0
 35 39  2  0
 35 40  1  0
 36 39  1  0
 36 41  2  0
 37 41  1  0
 38 40  1  0
 38 74  1  0
 39 46  1  0
 40 44  2  0
 41 45  1  0
 42 48  1  0
 42 73  2  0
 42 74  1  0
 43 75  1  0
 43 76  2  0
 43 79  1  0
 44 47  1  0
 44 77  1  0
 45 50  2  0
 45 78  1  0
 46 50  1  0
 46 77  2  0
 47 51  2  0
 47 74  1  0
 48 49  1  0
 48 52  2  0
 49 80  1  0
 51 52  1  0
 52 54  1  0
 53 56  1  0
 54 55  1  0
 54 56  1  0
 54 81  1  1
 55 80  1  0
 55 82  2  0
 60 85  1  0
M  RAD  8   1   3   2   3   3   3   6   2   7   3   9   3  10   2  13   3
M  RAD  8  14   2  17   2  18   2  21   2  23   2  24   3  25   2  26   3
M  RAD  8  27   3  28   3  29   2  30   2  31   3  32   2  33   3  34   2
M  RAD  8  37   2  38   3  49   3  50   2  51   2  53   2  56   3  58   2
M  RAD  8  59   2  64   2  70   2  71   2  72   2  75   2  79   3  81   2
M  RAD  2  83   2  85   2
M  END
$$$$
