TJL0512
     RDKit          3D

 67 70  0  0  1  0  0  0  0  0999 V2000
   -1.0053   -2.8268    4.0026 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4068   -0.4592    5.1021 C   0  0  0  0  0  1  0  0  0  0  0  0
   -1.7535   -1.4232    3.8906 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.2289    0.2065   -3.1944 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.2507   -0.1311   -2.4284 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4780   -0.6238   -2.4867 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.7536   -0.2099   -1.2458 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.4321   -0.4479    1.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106   -0.9669    2.6703 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.3910   -2.4448    5.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9482   -0.9880    2.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2563   -0.2635   -4.2528 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.0235   -1.0714   -2.5503 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.8643   -1.3000   -2.5815 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.1148   -0.3705    0.1563 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.7398   -1.3753    4.1219 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.4030   -0.1276    3.8337 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.1800    1.1819    3.4699 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0189    2.4141    2.9704 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.1299    4.5112    3.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728   -0.3137    2.4136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6693   -3.1158    5.8070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4735   -1.6398    3.6743 N   0  0  0  0  0  2  0  0  0  0  0  0
    5.0247   -1.9441   -2.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289    0.6450   -2.3200 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.0318   -2.4510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7568   -0.6048    1.5092 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7437   -2.5751    5.0661 N   0  0  0  0  0  2  0  0  0  0  0  0
   -4.5370   -0.5187    1.6483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8603    3.4646    2.3589 N   0  0  0  0  0  2  0  0  0  0  0  0
  -10.2191    5.3669    2.6330 N   0  0  0  0  0  1  0  0  0  0  0  0
   -8.6292    4.9068    4.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1421   -0.7133   -5.3344 N   0  0  0  0  0  2  0  0  0  0  0  0
   12.4372   -0.8497   -5.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9820   -0.1755   -3.8855 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.5948    0.3096   -2.7768 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2403   -1.5172   -5.6943 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0254    1.0477   -1.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6146    0.7221   -0.4108 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.2841   -0.5540   -0.3229 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.2651   -0.8113   -1.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9318   -0.1537   -2.6089 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0961    1.8416   -1.8526 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3123   -1.4322   -1.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9019    0.3457   -3.6308 C   0  0  0  0  0  1  0  0  0  0  0  0
   13.6629    1.7787    0.7452 C   0  0  0  0  0  1  0  0  0  0  0  0
   14.3003   -1.4233    0.9859 C   0  0  0  0  0  1  0  0  0  0  0  0
   -9.1510    0.0332   -2.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6565   -1.1476    2.3809 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.4815   -0.7051    0.3256 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.0245    0.6757   -1.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4470    2.1753   -3.5941 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.4008   -1.6319    3.6578 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.9184   -1.6439    1.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2290    1.6905   -2.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6490    3.1724   -4.1515 C   0  0  0  0  0  3  0  0  0  0  0  0
   -8.3702   -2.5568    3.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1403   -2.7841    1.4636 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.7252    0.8657    0.2930 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.1718    2.2661   -1.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6041    3.7146   -3.4125 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.8830   -3.2524    2.7467 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.9219    1.8447   -0.2691 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3715    3.2616   -2.1195 C   0  0  0  0  0  3  0  0  0  0  0  0
  -10.2801   -0.0403   -1.8800 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.9016   -0.3791   -3.6382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7399    0.3274   -0.4089 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  2  3  1  0
  4 12  1  0
  4 25  1  0
  5 13  1  0
  5 25  1  0
  6 14  1  0
  6 26  1  0
  7 15  1  0
  7 26  1  0
  8 15  1  0
  8 21  2  0
  8 27  1  0
  9 11  1  0
  9 27  1  0
  9  3  1  0
 10 16  1  0
 10 22  2  0
 10 28  1  0
 11 23  1  0
 11 29  2  0
 13 24  1  0
 14 24  1  0
 16 17  1  0
 16 23  1  0
 17 18  1  0
 18 19  1  0
 19 30  1  0
 20 30  1  0
 20 31  1  0
 20 32  2  0
 33 34  1  0
 33 12  1  0
 34 35  1  0
 34 37  2  0
 35 36  1  0
 36 38  1  0
 38 39  1  0
 38 43  2  0
 39 40  1  0
 39 46  1  0
 40 41  1  0
 40 47  1  0
 41 42  1  0
 41 44  2  0
 42 36  1  0
 42 45  1  0
 48 51  1  0
 48 65  1  0
 48 66  2  0
 49 53  2  0
 49 54  1  0
 50 54  1  0
 50 67  1  0
 51 55  2  0
 51 67  1  0
 52 55  1  0
 52 56  2  0
 53 57  1  0
 54 58  2  0
 55 60  1  0
 56 61  1  0
 57 62  2  0
 57 28  1  0
 58 62  1  0
 59 63  1  0
 59 67  2  0
 60 63  2  0
 60 64  1  0
 61 64  2  0
M  RAD  8   1   2   2   2   3   2   4   3   5   3   6   3   7   3   9   2
M  RAD  8  12   3  13   3  14   3  15   3  16   2  17   3  18   3  19   3
M  RAD  8  23   2  27   2  28   2  30   2  31   3  33   2  35   3  39   2
M  RAD  8  40   2  45   2  46   2  47   2  49   2  50   3  52   2  53   2
M  RAD  8  56   2  58   2  59   2  61   2  62   2  63   2  64   2  65   2
M  CHG  1  67   1
M  END
$$$$
