
     RDKit          2D

 60 63  0  0  0  0  0  0  0  0999 V2000
    8.2359   -8.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7544   -8.4194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2168   -7.0190    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
    4.7353   -5.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2168   -5.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2718   -3.8578    0.0000 N   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 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
    0.7500   -1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 N   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
   -4.4508   -1.5836    0.0000 O   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
   -5.6083   -3.1768    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
   -6.2168   -5.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7353   -6.7844    0.0000 O   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
   -5.6083   -8.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8663   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6868  -10.3899    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
   -4.4508  -10.4851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625  -11.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2070  -12.1633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1232  -12.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1839  -11.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1839  -14.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0625  -14.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2495  -13.1524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2913  -14.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1605  -16.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8011  -17.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703  -18.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3109  -19.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1801  -20.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0822  -18.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5723  -16.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129  -16.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031  -14.6893    0.0000 O   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
   -2.5506  -11.3337    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
    0.7500  -10.7697    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
    2.0507  -11.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850  -12.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153  -12.2512    0.0000 N   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
    4.4508  -10.4851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2718   -8.2109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6083   -8.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  6
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  6
 27 28  1  0
 27 29  1  0
 26 30  1  0
 30 31  1  1
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  6
 34 36  1  0
 34 37  1  0
 37 38  1  6
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  6
 42 43  1  0
 43 44  1  0
 43 45  1  0
 41 46  1  0
 46 47  1  1
 46 48  1  0
 30 49  1  0
 49 50  2  0
 49 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  1
 54 55  1  0
 55 56  1  0
 53 57  1  0
 57 58  2  0
 57 59  1  0
 59 60  1  0
 59  4  1  0
 16 11  1  0
 48 37  1  0
 56 51  1  0
M  END
