
     RDKit          2D

 45 49  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7236   -1.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744   -2.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3946   -3.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1896   -5.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1248   -6.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6081   -6.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7835   -6.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0710   -5.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0482   -4.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6519   -4.9060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1561   -5.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6937   -4.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2209   -3.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3205   -4.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0659   -2.1834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5081   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9913   -0.9736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5081    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6997    1.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8118    3.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5724    4.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2209    3.4227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0659    2.1834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0482    4.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7982    5.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6519    4.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9857    6.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1561    5.0181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6937    4.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1457    6.0806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3946    3.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4594    5.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762    4.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0074    6.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744    2.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7236    1.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4398    2.2591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   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
  6  5  1  6
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 15 19  1  0
 19 20  1  1
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  6
 32 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  6
 38 39  1  0
 38 40  1  0
 37 41  1  0
 41 42  1  0
 42 43  2  0
  6 44  1  0
 44 45  1  0
 45  3  1  0
 42  6  1  0
 18  9  2  0
 29 24  1  0
 17 12  1  0
M  END
