
     RDKit          2D

 50 52  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
   -4.3881   -2.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6275   -1.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5154    0.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7548    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6427    2.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1062    0.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2183   -1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5698   -1.7249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8091   -0.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9790   -1.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0910   -3.4149    0.0000 O   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
   -4.6098   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6098    0.8450    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
   -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
   -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
    0.7500    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
 31 34  1  0
 34 35  1  0
 24 36  1  0
 36 37  1  1
 36 38  1  0
 36 39  1  0
 39 40  1  0
 40 41  1  1
 40 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  6
 44 46  1  0
 46 47  1  1
 46 48  1  0
 48 49  1  1
 48 50  1  0
 48  3  1  0
 21 11  1  0
 34 26  1  0
M  END
