
     RDKit          3D

 56 59  0  0  0  0  0  0  0  0999 V2000
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    6.4420    0.8813    1.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1837    0.7293    2.1456 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6949    0.0694    3.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4061   -0.4628    3.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6630   -0.3129    2.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640   -0.3456   -0.4749 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3141   -1.8009   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0469   -2.4854   -0.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9266   -1.8841   -0.2728 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0539    0.1973    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2157    1.7167    0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5572    2.1689    0.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9734    1.6320    0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9381    2.4389    1.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4346   -0.2935    0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    0.2509    0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959   -0.5368   -0.3136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2990   -1.9174   -0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -2.4586   -0.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815   -1.6697   -2.0383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3487   -0.5843   -1.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3751    0.3663   -2.6784 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8628    1.4116    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3012   -0.0392    4.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4739   -2.0971    0.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7612    3.4985    1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8853    2.5128    1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3318    0.0984    1.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6551   -1.3448    0.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0082   -3.5111   -1.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -2.4701   -0.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7259   -1.7426   -2.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376    1.2848   -1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1574    0.0169   -2.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  2  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  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 13 30  1  0
  8  3  1  0
 30  9  1  0
 28 13  1  0
 23 18  1  0
  4 31  1  0
  6 32  1  0
  7 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 14 38  1  0
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 15 40  1  0
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 16 43  1  0
 17 44  1  0
 17 45  1  0
 19 46  1  0
 20 47  1  0
 21 48  1  0
 22 49  1  0
 25 50  1  0
 25 51  1  0
 26 52  1  0
 26 53  1  0
 27 54  1  0
 30 55  1  0
 30 56  1  0
M  END
$$$$
