
     RDKit          3D

 52 55  0  0  0  0  0  0  0  0999 V2000
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    1.8483   -0.1366   -0.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1666    0.0923    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0873   -0.7501    0.7960 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5855   -1.9693    0.7012 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1644   -3.1266    1.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568   -4.3189    0.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1891   -4.2582    0.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6616   -3.0586   -0.1019 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3817   -1.9313    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435    1.7803    0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7688    0.8831    1.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407    0.6934    1.7034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2814   -0.3693    1.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6232   -1.5754    0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2867   -2.5827    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6166   -2.4107   -0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4412   -3.6737   -1.2605 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2924   -1.2355   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6361    1.2342    2.2406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4834    3.5714    1.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7642    2.4170    0.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3223    1.1566    0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1423   -3.1300    1.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8774   -5.2688    1.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6282   -5.1676    0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    2.0289    0.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7932    2.7453    0.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9275    1.4123    2.8163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3245   -0.0679    1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3969   -1.7597    1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -3.4983   -0.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277   -1.1120   -0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
  7 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 29  2  1  0
 18 10  2  0
 28 22  1  0
 18 13  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  0
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  6 40  1  0
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 11 42  1  0
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 16 45  1  0
 19 46  1  0
 19 47  1  0
 20 48  1  0
 20 49  1  0
 23 50  1  0
 24 51  1  0
 27 52  1  0
M  END
$$$$
