
     RDKit          2D

 54 58  0  0  0  0  0  0  0  0999 V2000
    8.0268   -4.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6172   -4.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3567   -6.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4681   -3.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -4.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086   -2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   -1.8121    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
    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
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9095   -0.5130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086   -2.7762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586   -4.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4681   -3.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6172   -4.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7286   -2.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1382   -1.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3986   -0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2496    0.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5100    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9196    2.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1800    4.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0310    5.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6214    4.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4724    5.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7328    7.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1424    7.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2915    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0686    1.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8082    0.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3191   -5.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586   -7.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086   -8.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4577   -9.2929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -9.2929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -9.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0105  -11.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200  -11.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6805  -13.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314  -14.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1219  -13.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1386  -12.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105  -11.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   -9.2929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9095  -10.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086   -8.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -7.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4681   -7.5427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3191   -5.5525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  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
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 25 33  1  0
 33 34  2  0
 17 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 40 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 52 53  2  0
 52 54  1  0
 54  5  1  0
 13  8  1  0
 34 22  1  0
 46 41  1  0
 32 27  1  0
M  END
