
     RDKit          3D

 55 57  0  0  0  0  0  0  0  0999 V2000
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   -2.3955    0.5744    1.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7660   -0.1103    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6569   -1.0042    0.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1302    0.2194   -0.9299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2463   -0.7321   -2.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634   -1.7099   -2.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7944   -2.4296   -0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4677   -3.3200   -0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599   -2.6970   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3339   -1.5839   -0.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2279   -0.8154   -0.0701 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8942   -0.0304    1.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8663    0.0479    2.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197    0.7397    3.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3957    1.3741    3.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263    1.3394    2.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630    0.6707    1.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6571    0.7543    0.2502 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8081    1.4022   -0.9824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0550    1.7044   -1.4437 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2590    2.2651   -2.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1744    2.5474   -3.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1174    2.2805   -3.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3245    1.7153   -1.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371    1.6082   -1.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7465    2.2535    1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4557    0.9135    2.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2383    2.0322    3.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4876    1.1886    1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9475   -1.0911    2.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832   -0.1795   -3.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6780   -3.0626   -0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963   -1.6909    0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595   -3.5741   -1.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2234   -4.2811   -0.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3238   -2.3149    0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141   -3.4890    0.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9160   -2.0471   -1.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033   -0.9299   -1.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8145   -0.4592    1.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3762    0.7756    4.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    1.9062    4.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    1.8663    2.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2657    2.4831   -2.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3318    2.9903   -4.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574    2.5401   -3.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8176    2.2688   -0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4668    2.0270   -1.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  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
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27  6  1  0
 19 14  1  0
 26 21  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  2 31  1  0
  3 32  1  0
  3 33  1  0
  3 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
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 11 43  1  0
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 12 46  1  0
 15 47  1  0
 16 48  1  0
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 18 50  1  0
 23 51  1  0
 24 52  1  0
 25 53  1  0
 27 54  1  0
 27 55  1  0
M  END
$$$$
