
     RDKit          2D

 53 56  0  0  0  0  0  0  0  0999 V2000
   -1.6414    7.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6848    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2071    4.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6860    4.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506    3.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    4.0840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1849    2.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6626    1.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638    3.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3302    4.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8142    4.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0650    2.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7360    2.1303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5174    0.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1230    0.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6933   -0.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0878    0.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2637   -0.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6581   -0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8340   -1.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6155   -2.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2211   -3.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0452   -2.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4748   -1.7689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0803   -2.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9044   -1.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8618   -3.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0377   -4.7369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674   -4.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488   -5.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8544   -6.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247   -6.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    2.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1837    1.2718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517    2.1764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9194   -0.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1065    3.0526    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
   -6.2824    3.9839    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   -7.4584    4.9151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4524   -1.6779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9054   -1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9545   -2.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4075   -2.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5506   -3.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5996   -4.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0975   -4.1946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0485   -3.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5955   -3.4949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  9  7  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  6
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  1
 27 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
  5 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 37 36  1  1
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  6
 42 43  1  0
 43 44  3  0
 39 45  1  1
 45 46  1  0
 46 47  2  0
 47 48  1  0
 47 49  1  0
 49 50  2  0
 49 51  1  0
 51 52  1  0
 52 53  2  0
 13  9  1  0
 23 18  1  0
 41 37  1  0
 52 45  1  0
M  CHG  2  42  -1  43   1
M  END
$$$$
