
     RDKit          2D

 50 53  0  0  0  0  0  0  0  0999 V2000
    6.0236  -13.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4756  -12.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9923  -12.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0571  -13.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5738  -13.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0258  -11.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4574  -11.4091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054  -10.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0702   -8.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887   -9.7892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4239  -10.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015   -7.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -7.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -7.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -7.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3705   -4.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0367   -3.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3881   -2.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -1.9499    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    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601    7.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8273    8.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    8.8692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    8.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    6.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7455    5.5373    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
   -2.1015   -1.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -0.7771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -3.1226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3881   -2.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6275   -3.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5002   -0.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8517   -0.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3705   -4.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367   -6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3881   -6.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611  -10.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4443  -10.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 13 12  1  6
 13 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  1  1
 19 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  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 25 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 39 41  1  0
 41 42  1  0
 42 43  1  6
 42 44  1  0
 44 45  1  0
 41 46  1  0
 46 47  1  0
 47 48  1  1
  6 49  1  0
 49 50  2  0
 50  3  1  0
 47 13  1  0
 38 22  1  0
 35 30  2  0
M  END
