
     RDKit          2D

 53 55  0  0  0  0  0  0  0  0999 V2000
    5.6205   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8705    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3705    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -1.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -3.8079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3600   -4.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838   -4.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0158   -5.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180   -7.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816   -8.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4659   -9.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4141   -9.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276  -10.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2150   -7.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145   -8.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487   -6.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9821   -5.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4492   -5.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015   -2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -3.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5698   -1.7249    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   -8.9189   -3.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1015    2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500    3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838    4.7484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5171    5.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0838    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015    2.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367    3.8079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367    1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867    2.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5199    1.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
  9 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  1
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 31 36  1  0
 36 37  1  0
 24 38  1  0
 38 39  1  1
 38 40  1  0
 38 41  1  0
 41 42  1  0
 42 43  1  1
 42 44  1  0
 44 45  2  0
 45 46  1  0
 44 47  1  0
 47 48  1  6
 47 49  1  0
 49 50  1  1
 49 51  1  0
 51 52  1  1
 51 53  1  0
 51  3  1  0
 21 11  1  0
 36 26  1  0
M  CHG  2  32   1  35  -1
M  END
