
     RDKit          2D

 50 54  0  0  0  0  0  0  0  0999 V2000
    7.3711   -0.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8739   -0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2053    1.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0454   -1.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640   -0.8467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647   -0.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9346    0.6817    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
   -0.3891   -2.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0987   -3.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5282   -3.1418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2831   -5.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172   -6.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2799   -7.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4183   -8.6604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5042   -6.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8669   -6.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0912   -6.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9528   -4.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1771   -3.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5398   -4.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7641   -3.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6257   -1.9668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2630   -1.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1246    0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3489    1.0204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7116    0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8500   -1.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6782   -5.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4539   -6.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0505   -7.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999   -8.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6152   -9.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6651   -8.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1233  -10.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0637  -11.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5459  -11.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0878   -9.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1474   -8.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4464   -7.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3868   -6.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8415   -5.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7492   -3.8383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222   -2.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465   -1.6089    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
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  8 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  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
 32 33  1  0
 26 34  1  0
 34 35  2  0
 18 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  2  0
 49  4  1  0
 13  8  1  0
 35 23  1  0
 44 39  1  0
 33 28  1  0
M  END
