
     RDKit          3D

 42 45  0  0  0  0  0  0  0  0999 V2000
    3.0134   -0.1342    2.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940    0.4479    1.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    1.7824    1.4802 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387    2.3249    0.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5911    3.7130    0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5564    4.2404    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551    3.3852   -0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4012    1.9966   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2567    1.5062    0.4154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4761    1.0917   -0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3745    1.4596   -1.5485 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2114    0.4468   -1.7138 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8222   -0.5273   -0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7421   -0.1562   -0.1594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0662   -0.9754    0.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7538   -2.3246    1.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9076   -2.4310    0.9850 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1122   -1.6307   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491   -2.2516   -1.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2666   -1.4901   -2.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3707   -0.1005   -2.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    0.9407   -4.0729 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3798    0.5274   -1.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2575   -0.2266   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    2.3732    2.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651    4.3777    1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6745    5.3123    0.0873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483    3.8063   -0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3202   -1.4840   -0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8332   -1.4895    1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4748   -0.3416    1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4648   -1.5177   -0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8390   -2.6527   -0.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1983   -3.2717    1.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1578   -3.8794    0.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -1.2740    2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9656   -2.8853    2.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0489   -3.3271   -1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2716   -1.9805   -3.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5134    1.6010   -1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26  2  1  0
  9  4  2  0
 14 10  1  0
 26 20  1  0
  3 27  1  0
  5 28  1  0
  6 29  1  0
  7 30  1  0
 13 31  1  0
 15 32  1  0
 15 33  1  0
 16 34  1  0
 16 35  1  0
 17 36  1  0
 17 37  1  0
 18 38  1  0
 18 39  1  0
 21 40  1  0
 22 41  1  0
 25 42  1  0
M  END
$$$$
