
     RDKit          3D

 45 48  0  0  0  0  0  0  0  0999 V2000
    5.3812    1.9118   -0.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039    0.5928    0.0994 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3896    0.3671    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    1.3911   -0.2742 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    1.1977   -0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6440   -0.0390   -0.1050 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4845   -1.0581    0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8314   -0.8896    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4155   -2.0460    0.6064 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693   -2.8925    0.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5090   -4.0802    1.1722 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1599   -2.3288    0.5119 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518   -2.9066    0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583   -2.3159   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4503   -2.7429   -1.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588   -2.1746   -2.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649   -1.1603   -1.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0692   -0.6989   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4508    1.9835    1.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6239    3.0536    0.3934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633    3.1884   -0.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9802    4.2427   -1.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9792    2.6319    0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4855    1.8644   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1351    2.2592   -1.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4489   -0.1980    0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4275   -2.2435    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248   -4.0054    0.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -2.7515    1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8198   -3.5152   -1.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6076   -2.5114   -3.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0286   -0.7111   -2.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9101   -0.9704    1.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5845    1.6968    1.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6172    0.3551    2.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3284    2.4456    2.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314    1.3968    1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3440    3.7828    0.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937    2.2040   -2.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3599    1.1283   -1.1041 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  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
  8  3  1  0
 19 14  2  0
 27  5  1  0
 12  7  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  2 31  1  0
  9 32  1  0
 13 33  1  0
 13 34  1  0
 15 35  1  0
 16 36  1  0
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 21 39  1  0
 21 40  1  0
 22 41  1  0
 22 42  1  0
 23 43  1  0
 26 44  1  0
 26 45  1  0
M  END
$$$$
