
     RDKit          2D

 45 47  0  0  0  0  0  0  0  0999 V2000
    7.8316    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3316    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5816    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5816    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0816    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060    1.4745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164    2.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193    3.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766    4.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170    3.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    3.2572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4703    2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7456    2.9384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0121    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4866    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4625   -0.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9370    0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9129   -0.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4144   -2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9399   -2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9640   -1.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0121   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4703   -2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7456   -2.9384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597   -3.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3637   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170   -3.9258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766   -4.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150   -5.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -3.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880   -4.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9851   -5.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537   -6.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1509   -6.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9794   -5.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766   -5.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1452   -6.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879   -6.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8024   -7.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8138   -8.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3108   -3.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8137   -3.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164   -2.7498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060   -1.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2047   -2.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  1
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 14 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  6
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 35 41  1  0
 41 42  2  0
 30 43  1  0
 43 44  1  0
 44 45  2  0
 44  5  1  0
 21 16  1  0
 42 32  1  0
M  END
