
     RDKit          2D

 47 50  0  0  0  0  0  0  0  0999 V2000
    8.5134   -4.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3986   -5.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9720   -5.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8573   -6.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4307   -5.9422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5875   -4.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240   -3.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203   -1.9091    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
   -2.1203   -1.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0020   -0.6956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240   -3.0239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   -4.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0793   -4.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9610   -5.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6894   -2.9233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1812   -2.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7913   -1.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9096   -0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    1.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0115    1.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8932    0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3850    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9951    1.6580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1134    2.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7235    4.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2153    4.3986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0970    3.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4869    1.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2831   -1.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4307   -5.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6807   -7.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672   -8.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0773   -9.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -8.4348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4672   -8.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773   -9.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956  -10.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8058  -12.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2961  -10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6807   -7.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7955   -8.2450    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  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  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
 33 34  1  0
 27 35  2  0
 18 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 41 46  1  0
 46 47  2  0
 46  5  1  0
 14  9  1  0
 35 23  1  0
 34 29  1  0
M  END
