
     RDKit          3D

 52 55  0  0  0  0  0  0  0  0999 V2000
    3.8712   -3.0375    2.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1337   -0.4850    1.7994 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694    0.7503    1.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0587    0.8868    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7922   -0.2547   -0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533   -1.5216   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7767   -2.6584   -2.5109 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8398   -2.1413   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261   -2.4981   -0.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2066   -1.2354   -0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9560   -0.4175    0.5571 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3004    1.0032    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923    1.7314   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5059    2.6880   -1.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4982    3.4613   -1.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661    3.2833   -1.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1666    2.3234   -0.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8519    1.5673   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5525    2.1645   -0.2517 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763    3.2693   -0.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2292    3.7923   -1.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8414    4.0749   -2.1509 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2567   -2.6259    3.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0406   -4.1186    3.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9999    1.6195    1.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612   -0.1537   -1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8258   -0.8361    1.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4675   -0.3687    2.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4883   -1.9935    1.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2628    1.0829   -0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4440    1.5397    1.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5346    2.8539   -1.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7537    4.2051   -2.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6051    0.8739    0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2985    4.0859    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5343    2.9388   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5492    3.0205   -2.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8229    4.7137   -2.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
  8  3  1  0
 24 19  1  0
 25  6  1  0
 28 22  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  5 32  1  0
  7 33  1  0
 12 34  1  0
 13 35  1  0
 13 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 17 41  1  0
 17 42  1  0
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 18 44  1  0
 18 45  1  0
 20 46  1  0
 21 47  1  0
 24 48  1  0
 26 49  1  0
 26 50  1  0
 27 51  1  0
 27 52  1  0
M  END
$$$$
