
     RDKit          2D

 49 53  0  0  0  0  0  0  0  0999 V2000
    6.2168   -5.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7353   -5.2844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2718   -3.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3901   -2.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -1.7626    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
   -2.1766   -1.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8576   -0.4261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901   -2.6442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2718   -3.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7353   -5.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7353   -6.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2718   -8.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901   -9.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7604  -10.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9172  -11.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7037  -12.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334  -11.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766  -10.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -10.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9847  -12.2512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -10.7697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766  -10.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8576  -11.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3555  -11.7212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0406  -12.9007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7216  -14.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046  -15.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067  -15.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103  -16.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2707  -18.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5462  -19.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0442  -19.1907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7252  -17.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2231  -17.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0401  -19.0337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3591  -20.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8611  -20.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687  -18.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856  -16.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3901   -9.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2718   -8.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7353   -6.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2168   -7.0190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  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
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 36 44  1  0
 44 45  2  0
 28 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  0
 48  2  1  0
 11  6  1  0
 24 19  1  0
 45 33  1  0
 43 38  1  0
M  END
